{
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},
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},
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},
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"DARC_make_ray_files": {
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
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"log": "",
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},
"DumpTrajectoryEnergy": {
"log": "",
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},
"DumpTrajectoryEnergy_packing": {
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},
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},
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"log": "",
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},
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"log": "",
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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},
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"log": "",
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},
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
"OversaturatedHbondAcceptorFilter": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"PolarDesign2019": {
"log": "",
"state": "passed"
},
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"log": "",
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},
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"log": "",
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},
"ReadResfile_with_selector": {
"log": "",
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},
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"log": "",
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},
"RescoreSAXS": {
"log": "",
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},
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},
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},
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},
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"log": "",
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},
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"log": "",
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},
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"log": "",
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
"ThreadingInputter": {
"log": "",
"state": "passed"
},
"TryDisulfPermutations": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_extra_bodies": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_two_ubiquitins": {
"log": "",
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},
"UBQ_Gp_CYD-CYD": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"UnsatSelector": {
"log": "",
"state": "passed"
},
"Werror_check": {
"log": "",
"state": "passed"
},
"abinitio": {
"log": "",
"state": "passed"
},
"abinitio_with_trRosetta": {
"log": "",
"state": "passed"
},
"add_constraints_to_current_conformation": {
"log": "",
"state": "passed"
},
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"log": "",
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},
"add_helix_sequence_constraints_advanced_setup": {
"log": "",
"state": "passed"
},
"add_job_pair_data": {
"log": "",
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},
"angle_recovery_stats": {
"log": "",
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},
"antibody_H3": {
"log": "",
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},
"antibody_H3_camelid": {
"log": "",
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},
"antibody_cc": {
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},
"antibody_designer": {
"log": "",
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},
"antibody_designer_camelid": {
"log": "",
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},
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},
"antibody_graft": {
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},
"antibody_numbering_converter": {
"log": "",
"state": "passed"
},
"app_exception_handling": {
"log": "",
"state": "passed"
},
"assemble_domains_jd2": {
"log": "",
"state": "passed"
},
"auto-drrafter_final_results": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R1": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R2": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R3": {
"log": "",
"state": "passed"
},
"autoNOE_rosetta": {
"log": "",
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},
"autosetup_metals_centroid": {
"log": "",
"state": "passed"
},
"backbonegridsampler": {
"log": "",
"state": "passed"
},
"backbonegridsampler_multiresidue": {
"log": "",
"state": "passed"
},
"backbonegridsampler_nstruct_mode": {
"log": "",
"state": "passed"
},
"backrub": {
"log": "",
"state": "passed"
},
"backrub_interface_ddG": {
"log": "",
"state": "passed"
},
"backrub_pilot": {
"log": "",
"state": "passed"
},
"balancedKIC": {
"log": "",
"state": "passed"
},
"basic_gcn_tensorflow_test": {
"log": "",
"state": "passed"
},
"batch_relax": {
"log": "",
"state": "passed"
},
"beta_strand_homodimer": {
"log": "",
"state": "passed"
},
"bin_initialization": {
"log": "",
"state": "passed"
},
"bin_perturbation": {
"log": "",
"state": "passed"
},
"binselector": {
"log": "",
"state": "passed"
},
"binselector_probins": {
"log": "",
"state": "passed"
},
"bridge_chains": {
"log": "",
"state": "passed"
},
"broker": {
"log": "",
"state": "passed"
},
"broker_membrane": {
"log": "",
"state": "passed"
},
"bundlegridsampler": {
"log": "",
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},
"bundlegridsampler_composition_energy": {
"log": "",
"state": "passed"
},
"bundlegridsampler_composition_energy_fract_range": {
"log": "",
"state": "passed"
},
"bundlegridsampler_copy_pitch": {
"log": "",
"state": "passed"
},
"bundlegridsampler_design": {
"log": "",
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},
"bundlegridsampler_design_nstruct_mode": {
"log": "",
"state": "passed"
},
"bundlegridsampler_epsilon": {
"log": "",
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},
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"log": "",
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},
"bundlegridsampler_z0_offset": {
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},
"bundlegridsampler_z1_offset": {
"log": "",
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},
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},
"burial_measure_centroid": {
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},
"buried_area_filter": {
"log": "",
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},
"buried_unsat_kinemage": {
"log": "",
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},
"buried_unsat_voids_hbnet_design": {
"log": "",
"state": "passed"
},
"buried_unsat_voids_hbnet_design_symm": {
"log": "",
"state": "passed"
},
"c-term_conjugation": {
"log": "",
"state": "passed"
},
"calculate_sasa": {
"log": "",
"state": "passed"
},
"carbohydrates": {
"log": "",
"state": "passed"
},
"cart_min_glycans": {
"log": "",
"state": "passed"
},
"cartesianddg": {
"log": "",
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},
"case_sensitive_filenames": {
"log": "",
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},
"ccd_ends_graft_mover_rs": {
"log": "",
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},
"central_class_modification": {
"log": "",
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},
"centroid_disulfide_scores": {
"log": "",
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},
"centroid_from_fullatom": {
"log": "",
"state": "passed"
},
"cl_complex_rescore": {
"log": "",
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},
"classic_relax_1a19": {
"log": "",
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},
"cleanAlignment": {
"log": "",
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},
"cluster": {
"log": "",
"state": "passed"
},
"cluster_alns": {
"log": "",
"state": "passed"
},
"cluster_calibur": {
"log": "",
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},
"cluster_filter": {
"log": "",
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},
"cmaes_minimizer": {
"log": "",
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},
"coarse_rna_scoring": {
"log": "",
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},
"code_template_tests_app": {
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},
"code_template_tests_citations": {
"log": "",
"state": "passed"
},
"code_template_tests_src": {
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},
"code_template_tests_unit": {
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},
"coenzymes": {
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},
"combine_silent": {
"log": "",
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},
"composition_energy_layers": {
"log": "",
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},
"constel": {
"log": "",
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},
"constraints_metric": {
"log": "",
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},
"contactMap": {
"log": "",
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},
"continuous_sewing_hasher": {
"log": "",
"state": "passed"
},
"control_flow_rs": {
"log": "",
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},
"copy_rotamer_mover": {
"log": "",
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},
"count_cycpep_sequences": {
"log": "",
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},
"coupled_moves": {
"log": "",
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},
"crankshaft_flip": {
"log": "",
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},
"create_clash-based_repack_shell": {
"log": "",
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},
"create_sequence_motif": {
"log": "",
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},
"crossaln": {
"log": "",
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},
"crosslinkermover_1_4_bbmb_asymm": {
"log": "",
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},
"crosslinkermover_1_4_bbmb_c2_symmetry": {
"log": "",
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},
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"log": "",
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},
"crosslinkermover_octahedral": {
"log": "",
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},
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},
"crosslinkermover_square_planar": {
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},
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},
"crosslinkermover_square_pyramidal": {
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},
"crosslinkermover_tetrahedral_metal": {
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},
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},
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},
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},
"crosslinkermover_thioether": {
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},
"crosslinkermover_tma": {
"log": "",
"state": "passed"
},
"crosslinkermover_tma_symm": {
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},
"crosslinkermover_trigonal_planar": {
"log": "",
"state": "passed"
},
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},
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},
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},
"cs_rosetta_rna": {
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},
"cst_info": {
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},
"cstfile_to_theozyme_pdb": {
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},
"custom_basetype_packer_palette": {
"log": "",
"state": "passed"
},
"cyclization": {
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},
"cycpep_design_pipeline": {
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},
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},
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"d_workflow": {
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},
"database_jd2_compact_io": {
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},
"database_jd2_io": {
"log": "",
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},
"database_md5": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61987/database_md5/database_md5s.txt and /home/benchmark/working_dir/master:61988/database_md5/database_md5s.txt differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/database_md5/database_md5s.txt /home/benchmark/working_dir/master:61988/database_md5/database_md5s.txt\r\n23376c23376\r\n< cb659b164ec550f75aa3e4d395f86395 .//scoring/score_functions/hbonds/ref2015_params/HBEval.csv\r\n---\r\n> 3eda6df80f6ca8b83ebeda9ed3a34297 .//scoring/score_functions/hbonds/ref2015_params/HBEval.csv\r\n",
"state": "failed"
},
"database_session_resource": {
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},
"ddG_ensemble": {
"log": "",
"state": "passed"
},
"ddG_of_mutation": {
"log": "",
"state": "passed"
},
"ddG_scan": {
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"state": "passed"
},
"ddG_sym": {
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"state": "passed"
},
"density_denovo": {
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},
"density_refine": {
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},
"density_refine_symm": {
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},
"density_tools": {
"log": "",
"state": "passed"
},
"design_glycans": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-CAAs": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-NCAAs": {
"log": "",
"state": "passed"
},
"design_w_custom_palette-RNA": {
"log": "",
"state": "passed"
},
"dgdp_aio": {
"log": "",
"state": "passed"
},
"dgdp_script": {
"log": "",
"state": "passed"
},
"discontinuous_sewing_hasher": {
"log": "",
"state": "passed"
},
"distances": {
"log": "",
"state": "passed"
},
"disulfidize_beta_cys": {
"log": "",
"state": "passed"
},
"dna_interface_design": {
"log": "",
"state": "passed"
},
"dock_glycans": {
"log": "",
"state": "passed"
},
"dock_with_hotspot_place_simultaneously": {
"log": "",
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},
"docking_distance_constraints": {
"log": "",
"state": "passed"
},
"docking_ensemble": {
"log": "",
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},
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"log": "",
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},
"docking_full_protocol": {
"log": "",
"state": "passed"
},
"docking_local_refine": {
"log": "",
"state": "passed"
},
"docking_local_refine_min": {
"log": "",
"state": "passed"
},
"docking_low_res": {
"log": "",
"state": "passed"
},
"docking_prepack": {
"log": "",
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},
"docking_site_constraints": {
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},
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},
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"state": "passed"
},
"drrafter_run": {
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},
"drrafter_setup": {
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},
"drrafter_setup_build_missing": {
"log": "",
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},
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"log": "",
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},
"drrafter_setup_real_test_H": {
"log": "",
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},
"drrafter_setup_real_test_H_no_init": {
"log": "",
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},
"drrafter_setup_ribosome_test": {
"log": "",
"state": "passed"
},
"drrafter_setup_simple": {
"log": "",
"state": "passed"
},
"duplicate_header_guards": {
"log": "",
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},
"energy_based_clustering_alpha_aa": {
"log": "",
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},
"energy_based_clustering_alpha_aa_bin_analysis": {
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},
"energy_based_clustering_alpha_aa_dihedral": {
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},
"entropy_correction": {
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},
"enumerative_sampling": {
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},
"enzdes": {
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},
"enzscore_filter_dimetal": {
"log": "",
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},
"enzscore_filter_dimetal_sym": {
"log": "",
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},
"enzscore_filter_ligand": {
"log": "",
"state": "passed"
},
"enzscore_filter_metal": {
"log": "",
"state": "passed"
},
"enzscore_filter_metal_sym": {
"log": "",
"state": "passed"
},
"erraser_minimize": {
"log": "",
"state": "passed"
},
"evolution": {
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"state": "passed"
},
"exclusively_shared_jumps": {
"log": "",
"state": "passed"
},
"explicit_membrane": {
"log": "",
"state": "passed"
},
"extract_atomtree_diffs": {
"log": "",
"state": "passed"
},
"extract_pdbs": {
"log": "",
"state": "passed"
},
"farfar_mrna": {
"log": "",
"state": "passed"
},
"farnesyl": {
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},
"fast_relax": {
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},
"fast_relax_scripts": {
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},
"favor_coupling_tensor": {
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},
"favor_native_residue": {
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},
"features": {
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"state": "passed"
},
"features_database_schema": {
"log": "",
"state": "passed"
},
"features_parallel": {
"log": "",
"state": "passed"
},
"features_pdb": {
"log": "",
"state": "passed"
},
"features_pdb_mpi": {
"log": "",
"state": "passed"
},
"features_postgres": {
"log": "",
"state": "passed"
},
"features_scientific_benchmark": {
"log": "",
"state": "passed"
},
"fiber_diffraction": {
"log": "",
"state": "passed"
},
"fiber_diffraction_fad": {
"log": "",
"state": "passed"
},
"fit_helixparams": {
"log": "",
"state": "passed"
},
"fit_helixparams_a3b": {
"log": "",
"state": "passed"
},
"fit_helixparams_rms": {
"log": "",
"state": "passed"
},
"fix_alignment_to_match_pdb": {
"log": "",
"state": "passed"
},
"fixbb": {
"log": "",
"state": "passed"
},
"flexpepdock": {
"log": "",
"state": "passed"
},
"flexpepdock_abinitio": {
"log": "",
"state": "passed"
},
"fold_and_dock": {
"log": "",
"state": "passed"
},
"fold_cst_new": {
"log": "",
"state": "passed"
},
"fold_from_loops": {
"log": "",
"state": "passed"
},
"fragment_picker": {
"log": "",
"state": "passed"
},
"fragmentpicker_integration_demo": {
"log": "",
"state": "passed"
},
"fuzzy": {
"log": "",
"state": "passed"
},
"ga_ligand_dock": {
"log": "",
"state": "passed"
},
"ga_ligand_dock_amino_acid": {
"log": "",
"state": "passed"
},
"ga_ligand_dock_macrocycle": {
"log": "",
"state": "passed"
},
"gen_apo_grids": {
"log": "",
"state": "passed"
},
"gen_lig_grids": {
"log": "",
"state": "passed"
},
"generate_6Dloopclose": {
"log": "",
"state": "passed"
},
"genkic_bin_perturbing": {
"log": "",
"state": "passed"
},
"genkic_bin_sampling": {
"log": "",
"state": "passed"
},
"genkic_bin_setting": {
"log": "",
"state": "passed"
},
"genkic_dihedral_copying": {
"log": "",
"state": "passed"
},
"genkic_lowmemory_mode": {
"log": "",
"state": "passed"
},
"genkic_rama_filter": {
"log": "",
"state": "passed"
},
"genkic_ramaprepro_sampling": {
"log": "",
"state": "passed"
},
"genkic_sugars": {
"log": "",
"state": "passed"
},
"geometric_solvation": {
"log": "",
"state": "passed"
},
"glycan_anomers": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61987/glycan_anomers/anomers_0001.pdb and /home/benchmark/working_dir/master:61988/glycan_anomers/anomers_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61987/glycan_anomers/score.sc and /home/benchmark/working_dir/master:61988/glycan_anomers/score.sc differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/glycan_anomers/anomers_0001.pdb /home/benchmark/working_dir/master:61988/glycan_anomers/anomers_0001.pdb\r\n3c3\r\n< LINK ND2 ASN A 292 C1 NAG A 951 1.50 \r\n---\r\n> LINK ND2 ASN A 292 C1 NAG A 951 1.49 \r\n8,88c8,88\r\n< ATOM 1 N THR A 291 35.848 100.072 49.829 1.00 11.71 A N \r\n< ATOM 2 CA THR A 291 34.460 99.729 50.111 1.00 9.20 A C \r\n< ATOM 3 C THR A 291 34.108 98.381 49.489 1.00 15.05 A C \r\n< ATOM 4 O THR A 291 33.185 97.690 49.925 1.00 13.66 A O \r\n< ATOM 5 CB THR A 291 33.486 100.844 49.610 1.00 6.81 A C \r\n< ATOM 6 OG1 THR A 291 33.685 101.048 48.197 1.00 9.99 A O \r\n< ATOM 7 CG2 THR A 291 33.719 102.191 50.371 1.00 10.02 A C \r\n< ATOM 8 H THR A 291 36.063 100.993 49.460 1.00 14.05 A H \r\n< ATOM 9 HA THR A 291 34.345 99.641 51.192 1.00 11.04 A H \r\n< ATOM 10 HB THR A 291 32.458 100.525 49.774 1.00 8.17 A H \r\n< ATOM 11 HG1 THR A 291 33.011 101.645 47.864 1.00 11.99 A H \r\n< ATOM 12 1HG2 THR A 291 33.019 102.939 50.001 1.00 12.02 A H \r\n< ATOM 13 2HG2 THR A 291 33.552 102.040 51.441 1.00 12.02 A H \r\n< ATOM 14 3HG2 THR A 291 34.734 102.543 50.209 1.00 12.02 A H \r\n< ATOM 15 N ASN A 292 34.883 98.007 48.471 1.00 13.02 A N \r\n< ATOM 16 CA ASN A 292 34.734 96.728 47.791 1.00 13.68 A C \r\n< ATOM 17 C ASN A 292 35.947 95.840 48.065 1.00 13.01 A C \r\n< ATOM 18 O ASN A 292 36.184 94.846 47.382 1.00 12.58 A O \r\n< ATOM 19 CB ASN A 292 34.525 96.942 46.283 1.00 13.58 A C \r\n< ATOM 20 CG ASN A 292 33.862 95.735 45.572 1.00 22.06 A C \r\n< ATOM 21 OD1 ASN A 292 32.891 95.153 46.078 1.00 20.55 A O \r\n< ATOM 22 ND2 ASN A 292 34.394 95.378 44.416 1.00 14.07 A N \r\n< ATOM 23 H ASN A 292 35.601 98.653 48.173 1.00 15.62 A H \r\n< ATOM 24 HA ASN A 292 33.864 96.219 48.195 1.00 16.42 A H \r\n< ATOM 25 1HB ASN A 292 33.890 97.818 46.124 1.00 16.30 A H \r\n< ATOM 26 2HB ASN A 292 35.487 97.160 45.803 1.00 16.30 A H \r\n< ATOM 27 1HD2 ASN A 292 34.014 94.615 43.900 1.00 16.88 A H \r\n< ATOM 28 N GLY A 293 36.731 96.215 49.070 1.00 10.27 A N \r\n< ATOM 29 CA GLY A 293 37.931 95.485 49.417 1.00 9.90 A C \r\n< ATOM 30 C GLY A 293 38.667 94.995 48.167 1.00 10.32 A C \r\n< ATOM 31 O GLY A 293 39.899 94.985 48.123 1.00 12.25 A O \r\n< ATOM 32 H GLY A 293 36.471 97.046 49.604 1.00 12.32 A H \r\n< ATOM 33 1HA GLY A 293 38.593 96.134 49.999 1.00 11.88 A H \r\n< ATOM 34 2HA GLY A 293 37.665 94.645 50.056 1.00 11.88 A H \r\n< HETATM 35 C1 NAG A 951 33.814 94.254 43.618 1.00 16.70 L C \r\n< HETATM 36 C2 NAG A 951 33.994 94.612 42.105 1.00 13.12 L C \r\n< HETATM 37 C3 NAG A 951 33.413 93.470 41.263 1.00 15.00 L C \r\n< HETATM 38 O3 NAG A 951 33.578 93.779 39.869 1.00 17.61 L O \r\n< HETATM 39 C4 NAG A 951 34.181 92.178 41.613 1.00 14.57 L C \r\n< HETATM 40 C5 NAG A 951 33.995 91.885 43.127 1.00 18.49 L C \r\n< HETATM 41 O5 NAG A 951 34.505 93.019 43.924 1.00 15.39 L O \r\n< HETATM 42 O4 NAG A 951 33.704 91.087 40.829 1.00 20.11 L O \r\n< HETATM 43 C6 NAG A 951 34.758 90.640 43.542 1.00 18.19 L C \r\n< HETATM 44 O6 NAG A 951 34.408 90.232 44.864 1.00 21.52 L O \r\n< HETATM 45 N2 NAG A 951 33.283 95.861 41.819 1.00 16.16 L N \r\n< HETATM 46 C7 NAG A 951 33.945 97.011 41.803 1.00 22.82 L C \r\n< HETATM 47 C8 NAG A 951 33.229 98.302 41.544 1.00 17.15 L C \r\n< HETATM 48 O7 NAG A 951 35.169 97.019 42.004 1.00 16.17 L O \r\n< HETATM 49 H1 NAG A 951 32.749 94.149 43.869 1.00 20.04 L H \r\n< HETATM 50 H2 NAG A 951 35.067 94.713 41.899 1.00 15.74 L H \r\n< HETATM 51 H3 NAG A 951 32.343 93.366 41.479 1.00 18.00 L H \r\n< HETATM 52 H4 NAG A 951 35.250 92.332 41.390 1.00 17.48 L H \r\n< HETATM 53 H5 NAG A 951 32.915 91.730 43.342 1.00 22.19 L H \r\n< HETATM 54 1H6 NAG A 951 35.835 90.850 43.513 1.00 21.83 L H \r\n< HETATM 55 2H6 NAG A 951 34.509 89.817 42.860 1.00 21.83 L H \r\n< HETATM 56 HO6 NAG A 951 34.807 89.355 45.050 1.00 25.82 L H \r\n< HETATM 57 HN2 NAG A 951 32.316 95.838 41.590 1.00 19.39 L H \r\n< HETATM 58 H81 NAG A 951 32.563 98.520 42.389 1.00 20.58 L H \r\n< HETATM 59 H82 NAG A 951 32.596 98.200 40.653 1.00 20.58 L H \r\n< HETATM 60 H83 NAG A 951 33.961 99.104 41.365 1.00 20.58 L H \r\n< HETATM 61 C1 FUC A 952 32.299 94.289 39.314 1.00 19.26 M C \r\n< HETATM 62 C2 FUC A 952 32.587 95.230 38.100 1.00 19.53 M C \r\n< HETATM 63 C3 FUC A 952 33.201 94.365 36.988 1.00 19.68 M C \r\n< HETATM 64 O3 FUC A 952 33.469 95.176 35.838 1.00 24.39 M O \r\n< HETATM 65 C4 FUC A 952 32.221 93.214 36.620 1.00 22.48 M C \r\n< HETATM 66 C5 FUC A 952 31.976 92.360 37.895 1.00 27.06 M C \r\n< HETATM 67 O5 FUC A 952 31.399 93.207 38.960 1.00 22.50 M O \r\n< HETATM 68 O2 FUC A 952 33.530 96.233 38.469 1.00 22.90 M O \r\n< HETATM 69 O4 FUC A 952 30.984 93.744 36.130 1.00 21.19 M O \r\n< HETATM 70 C6 FUC A 952 31.034 91.193 37.632 1.00 24.74 M C \r\n< HETATM 71 H1 FUC A 952 31.767 94.851 40.097 1.00 23.11 M H \r\n< HETATM 72 H2 FUC A 952 31.649 95.703 37.763 1.00 23.44 M H \r\n< HETATM 73 H3 FUC A 952 34.157 93.953 37.357 1.00 23.62 M H \r\n< HETATM 74 HO3 FUC A 952 33.973 94.651 35.185 1.00 29.27 M H \r\n< HETATM 75 H4 FUC A 952 32.688 92.598 35.836 1.00 26.98 M H \r\n< HETATM 76 H5 FUC A 952 32.944 91.950 38.238 1.00 32.47 M H \r\n< HETATM 77 HO2 FUC A 952 34.003 96.546 37.662 1.00 27.48 M H \r\n< HETATM 78 HO4 FUC A 952 30.270 93.574 36.785 1.00 25.43 M H \r\n< HETATM 79 1H6 FUC A 952 31.000 90.551 38.532 1.00 29.69 M H \r\n< HETATM 80 2H6 FUC A 952 30.029 91.583 37.415 1.00 29.69 M H \r\n< HETATM 81 3H6 FUC A 952 31.406 90.614 36.774 1.00 29.69 M H \r\n---\r\n> ATOM 1 N THR A 291 35.842 100.075 49.817 1.00 11.71 A N \r\n> ATOM 2 CA THR A 291 34.457 99.731 50.103 1.00 9.20 A C \r\n> ATOM 3 C THR A 291 34.108 98.384 49.480 1.00 15.05 A C \r\n> ATOM 4 O THR A 291 33.181 97.694 49.916 1.00 13.66 A O \r\n> ATOM 5 CB THR A 291 33.483 100.846 49.606 1.00 6.81 A C \r\n> ATOM 6 OG1 THR A 291 33.681 101.054 48.194 1.00 9.99 A O \r\n> ATOM 7 CG2 THR A 291 33.713 102.195 50.371 1.00 10.02 A C \r\n> ATOM 8 H THR A 291 36.051 101.000 49.451 1.00 14.05 A H \r\n> ATOM 9 HA THR A 291 34.344 99.642 51.183 1.00 11.04 A H \r\n> ATOM 10 HB THR A 291 32.455 100.527 49.769 1.00 8.17 A H \r\n> ATOM 11 HG1 THR A 291 33.005 101.651 47.865 1.00 11.99 A H \r\n> ATOM 12 1HG2 THR A 291 33.013 102.940 50.004 1.00 12.02 A H \r\n> ATOM 13 2HG2 THR A 291 33.548 102.041 51.444 1.00 12.02 A H \r\n> ATOM 14 3HG2 THR A 291 34.729 102.549 50.212 1.00 12.02 A H \r\n> ATOM 15 N ASN A 292 34.885 98.008 48.471 1.00 13.02 A N \r\n> ATOM 16 CA ASN A 292 34.735 96.723 47.794 1.00 13.68 A C \r\n> ATOM 17 C ASN A 292 35.940 95.833 48.080 1.00 13.01 A C \r\n> ATOM 18 O ASN A 292 36.166 94.820 47.412 1.00 12.58 A O \r\n> ATOM 19 CB ASN A 292 34.535 96.931 46.285 1.00 13.58 A C \r\n> ATOM 20 CG ASN A 292 33.861 95.728 45.577 1.00 22.06 A C \r\n> ATOM 21 OD1 ASN A 292 32.889 95.147 46.087 1.00 20.55 A O \r\n> ATOM 22 ND2 ASN A 292 34.386 95.371 44.423 1.00 14.07 A N \r\n> ATOM 23 H ASN A 292 35.608 98.645 48.170 1.00 15.62 A H \r\n> ATOM 24 HA ASN A 292 33.855 96.224 48.198 1.00 16.42 A H \r\n> ATOM 25 1HB ASN A 292 33.912 97.816 46.115 1.00 16.30 A H \r\n> ATOM 26 2HB ASN A 292 35.504 97.129 45.809 1.00 16.30 A H \r\n> ATOM 27 1HD2 ASN A 292 34.002 94.612 43.902 1.00 16.88 A H \r\n> ATOM 28 N GLY A 293 36.734 96.214 49.079 1.00 10.27 A N \r\n> ATOM 29 CA GLY A 293 37.933 95.484 49.422 1.00 9.90 A C \r\n> ATOM 30 C GLY A 293 38.643 94.968 48.164 1.00 10.32 A C \r\n> ATOM 31 O GLY A 293 39.882 94.970 48.101 1.00 12.25 A O \r\n> ATOM 32 H GLY A 293 36.486 97.050 49.602 1.00 12.32 A H \r\n> ATOM 33 1HA GLY A 293 38.605 96.132 49.981 1.00 11.88 A H \r\n> ATOM 34 2HA GLY A 293 37.672 94.648 50.075 1.00 11.88 A H \r\n> HETATM 35 C1 NAG A 951 33.809 94.257 43.612 1.00 16.70 L C \r\n> HETATM 36 C2 NAG A 951 33.997 94.618 42.108 1.00 13.12 L C \r\n> HETATM 37 C3 NAG A 951 33.414 93.476 41.253 1.00 15.00 L C \r\n> HETATM 38 O3 NAG A 951 33.580 93.800 39.865 1.00 17.61 L O \r\n> HETATM 39 C4 NAG A 951 34.180 92.181 41.609 1.00 14.57 L C \r\n> HETATM 40 C5 NAG A 951 33.984 91.882 43.123 1.00 18.49 L C \r\n> HETATM 41 O5 NAG A 951 34.492 93.019 43.912 1.00 15.39 L O \r\n> HETATM 42 O4 NAG A 951 33.700 91.088 40.825 1.00 20.11 L O \r\n> HETATM 43 C6 NAG A 951 34.754 90.647 43.536 1.00 18.19 L C \r\n> HETATM 44 O6 NAG A 951 34.409 90.232 44.860 1.00 21.52 L O \r\n> HETATM 45 N2 NAG A 951 33.282 95.865 41.818 1.00 16.16 L N \r\n> HETATM 46 C7 NAG A 951 33.946 97.018 41.797 1.00 22.82 L C \r\n> HETATM 47 C8 NAG A 951 33.221 98.304 41.541 1.00 17.15 L C \r\n> HETATM 48 O7 NAG A 951 35.173 97.032 41.995 1.00 16.17 L O \r\n> HETATM 49 H1 NAG A 951 32.741 94.153 43.854 1.00 20.04 L H \r\n> HETATM 50 H2 NAG A 951 35.074 94.717 41.899 1.00 15.74 L H \r\n> HETATM 51 H3 NAG A 951 32.345 93.376 41.472 1.00 18.00 L H \r\n> HETATM 52 H4 NAG A 951 35.249 92.340 41.393 1.00 17.48 L H \r\n> HETATM 53 H5 NAG A 951 32.908 91.732 43.329 1.00 22.19 L H \r\n> HETATM 54 1H6 NAG A 951 35.832 90.864 43.505 1.00 21.83 L H \r\n> HETATM 55 2H6 NAG A 951 34.515 89.823 42.845 1.00 21.83 L H \r\n> HETATM 56 HO6 NAG A 951 34.814 89.361 45.037 1.00 25.82 L H \r\n> HETATM 57 HN2 NAG A 951 32.318 95.837 41.571 1.00 19.39 L H \r\n> HETATM 58 H81 NAG A 951 32.558 98.519 42.390 1.00 20.58 L H \r\n> HETATM 59 H82 NAG A 951 32.580 98.195 40.652 1.00 20.58 L H \r\n> HETATM 60 H83 NAG A 951 33.946 99.103 41.349 1.00 20.58 L H \r\n> HETATM 61 C1 FUC A 952 32.302 94.300 39.313 1.00 19.26 M C \r\n> HETATM 62 C2 FUC A 952 32.585 95.239 38.092 1.00 19.53 M C \r\n> HETATM 63 C3 FUC A 952 33.206 94.367 36.984 1.00 19.68 M C \r\n> HETATM 64 O3 FUC A 952 33.477 95.176 35.833 1.00 24.39 M O \r\n> HETATM 65 C4 FUC A 952 32.222 93.216 36.622 1.00 22.48 M C \r\n> HETATM 66 C5 FUC A 952 31.985 92.365 37.903 1.00 27.06 M C \r\n> HETATM 67 O5 FUC A 952 31.401 93.218 38.961 1.00 22.50 M O \r\n> HETATM 68 O2 FUC A 952 33.523 96.244 38.462 1.00 22.90 M O \r\n> HETATM 69 O4 FUC A 952 30.983 93.745 36.141 1.00 21.19 M O \r\n> HETATM 70 C6 FUC A 952 31.042 91.195 37.641 1.00 24.74 M C \r\n> HETATM 71 H1 FUC A 952 31.769 94.862 40.094 1.00 23.11 M H \r\n> HETATM 72 H2 FUC A 952 31.649 95.708 37.747 1.00 23.44 M H \r\n> HETATM 73 H3 FUC A 952 34.156 93.960 37.362 1.00 23.62 M H \r\n> HETATM 74 HO3 FUC A 952 33.970 94.642 35.176 1.00 29.27 M H \r\n> HETATM 75 H4 FUC A 952 32.688 92.598 35.840 1.00 26.98 M H \r\n> HETATM 76 H5 FUC A 952 32.950 91.960 38.247 1.00 32.47 M H \r\n> HETATM 77 HO2 FUC A 952 34.008 96.538 37.653 1.00 27.48 M H \r\n> HETATM 78 HO4 FUC A 952 30.289 93.607 36.816 1.00 25.43 M H \r\n> HETATM 79 1H6 FUC A 952 31.020 90.550 38.537 1.00 29.69 M H \r\n> HETATM 80 2H6 FUC A 952 30.033 91.580 37.433 1.00 29.69 M H \r\n> HETATM 81 3H6 FUC A 952 31.410 90.621 36.776 1.00 29.69 M H \r\n90,155c90,155\r\n< HETATM 83 C1 NAG A 953 34.874 90.421 40.184 1.00 15.43 N C \r\n< HETATM 84 C2 NAG A 953 34.535 88.924 39.837 1.00 20.15 N C \r\n< HETATM 85 C3 NAG A 953 35.821 88.280 39.250 1.00 22.56 N C \r\n< HETATM 86 C4 NAG A 953 36.278 89.074 38.002 1.00 19.33 N C \r\n< HETATM 87 O4 NAG A 953 37.497 88.484 37.549 1.00 20.88 N O \r\n< HETATM 88 C5 NAG A 953 36.539 90.557 38.415 1.00 16.70 N C \r\n< HETATM 89 O5 NAG A 953 35.319 91.143 38.999 1.00 17.49 N O \r\n< HETATM 90 O3 NAG A 953 35.534 86.917 38.881 1.00 20.25 N O \r\n< HETATM 91 C6 NAG A 953 36.929 91.407 37.212 1.00 20.13 N C \r\n< HETATM 92 O6 NAG A 953 37.342 92.715 37.609 1.00 19.73 N O \r\n< HETATM 93 N2 NAG A 953 34.158 88.199 41.075 1.00 25.08 N N \r\n< HETATM 94 C7 NAG A 953 32.880 87.946 41.370 1.00 22.03 N C \r\n< HETATM 95 C8 NAG A 953 32.528 87.238 42.648 1.00 27.33 N C \r\n< HETATM 96 O7 NAG A 953 31.981 88.299 40.600 1.00 28.94 N O \r\n< HETATM 97 H1 NAG A 953 35.728 90.447 40.877 1.00 18.52 N H \r\n< HETATM 98 H2 NAG A 953 33.718 88.909 39.095 1.00 24.18 N H \r\n< HETATM 99 H3 NAG A 953 36.612 88.290 40.010 1.00 27.07 N H \r\n< HETATM 100 H4 NAG A 953 35.508 89.004 37.207 1.00 23.20 N H \r\n< HETATM 101 H5 NAG A 953 37.372 90.586 39.149 1.00 20.04 N H \r\n< HETATM 102 HO3 NAG A 953 35.886 86.750 37.975 1.00 24.30 N H \r\n< HETATM 103 1H6 NAG A 953 36.053 91.504 36.553 1.00 24.16 N H \r\n< HETATM 104 2H6 NAG A 953 37.754 90.934 36.675 1.00 24.16 N H \r\n< HETATM 105 HO6 NAG A 953 38.241 92.895 37.255 1.00 23.68 N H \r\n< HETATM 106 HN2 NAG A 953 34.876 87.782 41.622 1.00 30.10 N H \r\n< HETATM 107 H81 NAG A 953 33.217 87.530 43.459 1.00 32.80 N H \r\n< HETATM 108 H82 NAG A 953 32.645 86.152 42.508 1.00 32.80 N H \r\n< HETATM 109 H83 NAG A 953 31.474 87.432 42.901 1.00 32.80 N H \r\n< HETATM 110 C1 BMA A 954 37.353 87.877 36.191 1.00 27.56 O C \r\n< HETATM 111 C2 BMA A 954 38.760 87.600 35.626 1.00 26.28 O C \r\n< HETATM 112 O2 BMA A 954 39.450 86.660 36.451 1.00 29.67 O O \r\n< HETATM 113 C3 BMA A 954 38.614 87.066 34.205 1.00 36.04 O C \r\n< HETATM 114 C4 BMA A 954 37.785 85.791 34.281 1.00 32.62 O C \r\n< HETATM 115 C5 BMA A 954 36.403 86.132 34.864 1.00 31.05 O C \r\n< HETATM 116 O5 BMA A 954 36.552 86.678 36.215 1.00 22.08 O O \r\n< HETATM 117 O3 BMA A 954 39.908 86.783 33.670 1.00 39.45 O O \r\n< HETATM 118 O4 BMA A 954 37.652 85.232 32.975 1.00 32.86 O O \r\n< HETATM 119 C6 BMA A 954 35.538 84.894 34.930 1.00 22.54 O C \r\n< HETATM 120 O6 BMA A 954 36.239 83.800 35.502 1.00 26.81 O O \r\n< HETATM 121 H1 BMA A 954 36.814 88.581 35.540 1.00 33.07 O H \r\n< HETATM 122 H2 BMA A 954 39.309 88.561 35.605 1.00 31.54 O H \r\n< HETATM 123 H3 BMA A 954 38.118 87.820 33.583 1.00 43.25 O H \r\n< HETATM 124 H4 BMA A 954 38.298 85.076 34.933 1.00 39.14 O H \r\n< HETATM 125 H5 BMA A 954 35.913 86.878 34.222 1.00 37.26 O H \r\n< HETATM 126 HO3 BMA A 954 39.819 86.322 32.805 1.00 47.34 O H \r\n< HETATM 127 HO4 BMA A 954 37.053 85.795 32.443 1.00 39.43 O H \r\n< HETATM 128 1H6 BMA A 954 35.233 84.622 33.911 1.00 27.05 O H \r\n< HETATM 129 2H6 BMA A 954 34.650 85.115 35.537 1.00 27.05 O H \r\n< HETATM 130 HO6 BMA A 954 36.178 83.852 36.484 1.00 32.17 O H \r\n< HETATM 131 C1 XYP A 955 40.299 87.391 37.433 1.00 32.34 P C \r\n< HETATM 132 C2 XYP A 955 40.463 86.548 38.744 1.00 24.13 P C \r\n< HETATM 133 C3 XYP A 955 41.265 87.408 39.758 1.00 48.49 P C \r\n< HETATM 134 O3 XYP A 955 41.478 86.682 40.973 1.00 46.67 P O \r\n< HETATM 135 C4 XYP A 955 42.629 87.786 39.129 1.00 35.61 P C \r\n< HETATM 136 C5 XYP A 955 42.386 88.577 37.819 1.00 32.17 P C \r\n< HETATM 137 O5 XYP A 955 41.585 87.768 36.876 1.00 39.17 P O \r\n< HETATM 138 O2 XYP A 955 39.189 86.223 39.291 1.00 44.33 P O \r\n< HETATM 139 O4 XYP A 955 43.355 88.594 40.051 1.00 51.13 P O \r\n< HETATM 140 H1 XYP A 955 39.821 88.351 37.676 1.00 38.81 P H \r\n< HETATM 141 H2 XYP A 955 41.020 85.618 38.514 1.00 28.96 P H \r\n< HETATM 142 H3 XYP A 955 40.678 88.316 39.987 1.00 58.19 P H \r\n< HETATM 143 HO3 XYP A 955 42.204 87.106 41.480 1.00 56.00 P H \r\n< HETATM 144 H4 XYP A 955 43.203 86.866 38.923 1.00 42.73 P H \r\n< HETATM 145 1H5 XYP A 955 43.358 88.798 37.356 1.00 38.60 P H \r\n< HETATM 146 2H5 XYP A 955 41.857 89.518 38.045 1.00 38.60 P H \r\n< HETATM 147 HO2 XYP A 955 39.303 85.827 40.179 1.00 53.20 P H \r\n< HETATM 148 HO4 XYP A 955 42.827 89.400 40.279 1.00 61.36 P H \r\n---\r\n> HETATM 83 C1 NAG A 953 34.869 90.420 40.183 1.00 15.43 N C \r\n> HETATM 84 C2 NAG A 953 34.529 88.922 39.835 1.00 20.15 N C \r\n> HETATM 85 C3 NAG A 953 35.809 88.275 39.249 1.00 22.56 N C \r\n> HETATM 86 C4 NAG A 953 36.274 89.068 38.004 1.00 19.33 N C \r\n> HETATM 87 O4 NAG A 953 37.496 88.474 37.555 1.00 20.88 N O \r\n> HETATM 88 C5 NAG A 953 36.548 90.553 38.426 1.00 16.70 N C \r\n> HETATM 89 O5 NAG A 953 35.332 91.140 39.010 1.00 17.49 N O \r\n> HETATM 90 O3 NAG A 953 35.522 86.919 38.874 1.00 20.25 N O \r\n> HETATM 91 C6 NAG A 953 36.942 91.410 37.228 1.00 20.13 N C \r\n> HETATM 92 O6 NAG A 953 37.356 92.709 37.642 1.00 19.73 N O \r\n> HETATM 93 N2 NAG A 953 34.152 88.201 41.071 1.00 25.08 N N \r\n> HETATM 94 C7 NAG A 953 32.878 87.948 41.374 1.00 22.03 N C \r\n> HETATM 95 C8 NAG A 953 32.528 87.240 42.649 1.00 27.33 N C \r\n> HETATM 96 O7 NAG A 953 31.973 88.297 40.601 1.00 28.94 N O \r\n> HETATM 97 H1 NAG A 953 35.722 90.445 40.877 1.00 18.52 N H \r\n> HETATM 98 H2 NAG A 953 33.714 88.908 39.093 1.00 24.18 N H \r\n> HETATM 99 H3 NAG A 953 36.596 88.275 40.015 1.00 27.07 N H \r\n> HETATM 100 H4 NAG A 953 35.511 89.008 37.206 1.00 23.20 N H \r\n> HETATM 101 H5 NAG A 953 37.370 90.575 39.162 1.00 20.04 N H \r\n> HETATM 102 HO3 NAG A 953 35.897 86.738 37.966 1.00 24.30 N H \r\n> HETATM 103 1H6 NAG A 953 36.060 91.516 36.572 1.00 24.16 N H \r\n> HETATM 104 2H6 NAG A 953 37.758 90.930 36.687 1.00 24.16 N H \r\n> HETATM 105 HO6 NAG A 953 38.262 92.886 37.289 1.00 23.68 N H \r\n> HETATM 106 HN2 NAG A 953 34.868 87.780 41.619 1.00 30.10 N H \r\n> HETATM 107 H81 NAG A 953 33.210 87.549 43.455 1.00 32.80 N H \r\n> HETATM 108 H82 NAG A 953 32.654 86.156 42.517 1.00 32.80 N H \r\n> HETATM 109 H83 NAG A 953 31.471 87.430 42.897 1.00 32.80 N H \r\n> HETATM 110 C1 BMA A 954 37.352 87.880 36.196 1.00 27.56 O C \r\n> HETATM 111 C2 BMA A 954 38.764 87.603 35.627 1.00 26.28 O C \r\n> HETATM 112 O2 BMA A 954 39.454 86.657 36.452 1.00 29.67 O O \r\n> HETATM 113 C3 BMA A 954 38.618 87.071 34.206 1.00 36.04 O C \r\n> HETATM 114 C4 BMA A 954 37.788 85.793 34.275 1.00 32.62 O C \r\n> HETATM 115 C5 BMA A 954 36.402 86.129 34.857 1.00 31.05 O C \r\n> HETATM 116 O5 BMA A 954 36.548 86.677 36.213 1.00 22.08 O O \r\n> HETATM 117 O3 BMA A 954 39.912 86.789 33.673 1.00 39.45 O O \r\n> HETATM 118 O4 BMA A 954 37.654 85.239 32.973 1.00 32.86 O O \r\n> HETATM 119 C6 BMA A 954 35.542 84.886 34.915 1.00 22.54 O C \r\n> HETATM 120 O6 BMA A 954 36.244 83.791 35.485 1.00 26.81 O O \r\n> HETATM 121 H1 BMA A 954 36.816 88.591 35.550 1.00 33.07 O H \r\n> HETATM 122 H2 BMA A 954 39.312 88.561 35.605 1.00 31.54 O H \r\n> HETATM 123 H3 BMA A 954 38.123 87.826 33.583 1.00 43.25 O H \r\n> HETATM 124 H4 BMA A 954 38.297 85.079 34.932 1.00 39.14 O H \r\n> HETATM 125 H5 BMA A 954 35.912 86.872 34.216 1.00 37.26 O H \r\n> HETATM 126 HO3 BMA A 954 39.826 86.307 32.807 1.00 47.34 O H \r\n> HETATM 127 HO4 BMA A 954 37.025 85.779 32.452 1.00 39.43 O H \r\n> HETATM 128 1H6 BMA A 954 35.248 84.621 33.892 1.00 27.05 O H \r\n> HETATM 129 2H6 BMA A 954 34.652 85.098 35.519 1.00 27.05 O H \r\n> HETATM 130 HO6 BMA A 954 36.208 83.852 36.465 1.00 32.17 O H \r\n> HETATM 131 C1 XYP A 955 40.300 87.383 37.439 1.00 32.34 P C \r\n> HETATM 132 C2 XYP A 955 40.462 86.546 38.749 1.00 24.13 P C \r\n> HETATM 133 C3 XYP A 955 41.257 87.409 39.759 1.00 48.49 P C \r\n> HETATM 134 O3 XYP A 955 41.465 86.676 40.972 1.00 46.67 P O \r\n> HETATM 135 C4 XYP A 955 42.624 87.794 39.132 1.00 35.61 P C \r\n> HETATM 136 C5 XYP A 955 42.381 88.577 37.820 1.00 32.17 P C \r\n> HETATM 137 O5 XYP A 955 41.587 87.759 36.882 1.00 39.17 P O \r\n> HETATM 138 O2 XYP A 955 39.185 86.222 39.293 1.00 44.33 P O \r\n> HETATM 139 O4 XYP A 955 43.346 88.606 40.051 1.00 51.13 P O \r\n> HETATM 140 H1 XYP A 955 39.822 88.343 37.682 1.00 38.81 P H \r\n> HETATM 141 H2 XYP A 955 41.020 85.613 38.525 1.00 28.96 P H \r\n> HETATM 142 H3 XYP A 955 40.666 88.317 39.988 1.00 58.19 P H \r\n> HETATM 143 HO3 XYP A 955 42.249 87.044 41.435 1.00 56.00 P H \r\n> HETATM 144 H4 XYP A 955 43.200 86.875 38.930 1.00 42.73 P H \r\n> HETATM 145 1H5 XYP A 955 43.353 88.802 37.361 1.00 38.60 P H \r\n> HETATM 146 2H5 XYP A 955 41.847 89.514 38.044 1.00 38.60 P H \r\n> HETATM 147 HO2 XYP A 955 39.300 85.828 40.184 1.00 53.20 P H \r\n> HETATM 148 HO4 XYP A 955 42.838 89.437 40.235 1.00 61.36 P H \r\n157,261c157,261\r\n< ATOM 150 N GLY B 2 19.306 22.737 3.227 1.00 79.53 B N \r\n< ATOM 151 CA GLY B 2 18.066 23.183 3.843 1.00 78.50 B C \r\n< ATOM 152 C GLY B 2 18.301 24.371 4.762 1.00 77.94 B C \r\n< ATOM 153 O GLY B 2 17.354 24.986 5.256 1.00 77.53 B O \r\n< ATOM 154 H GLY B 2 19.268 22.226 2.356 1.00 95.44 B H \r\n< ATOM 155 1HA GLY B 2 17.355 23.457 3.057 1.00 94.20 B H \r\n< ATOM 156 2HA GLY B 2 17.624 22.360 4.402 1.00 94.20 B H \r\n< ATOM 157 N HIS B 3 19.567 24.705 4.966 1.00 76.46 B N \r\n< ATOM 158 CA HIS B 3 19.947 25.819 5.828 1.00 73.30 B C \r\n< ATOM 159 C HIS B 3 19.569 25.545 7.291 1.00 69.73 B C \r\n< ATOM 160 O HIS B 3 19.830 24.448 7.796 1.00 69.77 B O \r\n< ATOM 161 CB HIS B 3 19.286 27.114 5.299 1.00109.95 B C \r\n< ATOM 162 CG HIS B 3 19.759 28.366 5.944 1.00109.95 B C \r\n< ATOM 163 ND1 HIS B 3 19.021 29.027 6.894 1.00109.95 B N \r\n< ATOM 164 CD2 HIS B 3 20.892 29.080 5.777 1.00109.95 B C \r\n< ATOM 165 CE1 HIS B 3 19.688 30.099 7.293 1.00109.95 B C \r\n< ATOM 166 NE2 HIS B 3 20.823 30.155 6.630 1.00109.95 B N \r\n< ATOM 167 H HIS B 3 20.291 24.152 4.513 1.00 91.75 B H \r\n< ATOM 168 HA HIS B 3 21.028 25.960 5.789 1.00 87.96 B H \r\n< ATOM 169 1HB HIS B 3 19.469 27.195 4.228 1.00131.94 B H \r\n< ATOM 170 2HB HIS B 3 18.210 27.049 5.443 1.00131.94 B H \r\n< ATOM 171 HD2 HIS B 3 21.708 28.848 5.093 1.00131.94 B H \r\n< ATOM 172 HE1 HIS B 3 19.354 30.815 8.042 1.00131.94 B H \r\n< ATOM 173 HE2 HIS B 3 21.530 30.868 6.732 1.00131.94 B H \r\n< ATOM 174 N THR B 4 18.973 26.525 7.979 1.00 67.23 B N \r\n< ATOM 175 CA THR B 4 18.692 26.464 9.410 1.00 65.06 B C \r\n< ATOM 176 C THR B 4 19.571 25.432 10.127 1.00 65.55 B C \r\n< ATOM 177 O THR B 4 20.661 25.757 10.602 1.00 68.18 B O \r\n< ATOM 178 CB THR B 4 17.178 26.171 9.664 1.00 61.21 B C \r\n< ATOM 179 OG1 THR B 4 16.385 27.216 9.067 1.00 57.43 B O \r\n< ATOM 180 CG2 THR B 4 16.861 26.104 11.202 1.00 58.64 B C \r\n< ATOM 181 H THR B 4 18.751 27.385 7.482 1.00 80.68 B H \r\n< ATOM 182 HA THR B 4 18.907 27.443 9.838 1.00 78.07 B H \r\n< ATOM 183 HB THR B 4 16.912 25.215 9.205 1.00 73.45 B H \r\n< ATOM 184 1HG2 THR B 4 15.801 25.905 11.340 1.00 70.37 B H \r\n< ATOM 185 2HG2 THR B 4 17.439 25.314 11.673 1.00 70.37 B H \r\n< ATOM 186 3HG2 THR B 4 17.109 27.058 11.670 1.00 70.37 B H \r\n< ATOM 187 N TRP B 5 19.051 24.216 10.308 1.00 67.01 B N \r\n< ATOM 188 CA TRP B 5 19.649 23.249 11.229 1.00 67.38 B C \r\n< ATOM 189 C TRP B 5 20.802 22.444 10.616 1.00 69.97 B C \r\n< ATOM 190 O TRP B 5 21.470 21.674 11.308 1.00 70.67 B O \r\n< ATOM 191 CB TRP B 5 18.572 22.293 11.739 1.00 65.87 B C \r\n< ATOM 192 CG TRP B 5 17.534 22.969 12.607 1.00 61.59 B C \r\n< ATOM 193 CD1 TRP B 5 16.208 23.128 12.334 1.00 59.75 B C \r\n< ATOM 194 CD2 TRP B 5 17.756 23.602 13.896 1.00 59.61 B C \r\n< ATOM 195 NE1 TRP B 5 15.586 23.799 13.375 1.00 57.75 B N \r\n< ATOM 196 CE2 TRP B 5 16.521 24.094 14.327 1.00 58.19 B C \r\n< ATOM 197 CE3 TRP B 5 18.881 23.782 14.703 1.00 59.67 B C \r\n< ATOM 198 CZ2 TRP B 5 16.377 24.759 15.528 1.00 58.85 B C \r\n< ATOM 199 CZ3 TRP B 5 18.742 24.449 15.908 1.00 59.04 B C \r\n< ATOM 200 CH2 TRP B 5 17.524 24.924 16.313 1.00 58.81 B C \r\n< ATOM 201 H TRP B 5 18.182 23.986 9.842 1.00 80.41 B H \r\n< ATOM 202 HA TRP B 5 20.042 23.799 12.082 1.00 80.86 B H \r\n< ATOM 203 1HB TRP B 5 18.067 21.836 10.887 1.00 79.04 B H \r\n< ATOM 204 2HB TRP B 5 19.033 21.498 12.317 1.00 79.04 B H \r\n< ATOM 205 HD1 TRP B 5 15.703 22.776 11.431 1.00 71.70 B H \r\n< ATOM 206 HE1 TRP B 5 14.600 24.040 13.439 1.00 69.30 B H \r\n< ATOM 207 HE3 TRP B 5 19.849 23.405 14.392 1.00 71.60 B H \r\n< ATOM 208 HZ2 TRP B 5 15.409 25.145 15.862 1.00 70.62 B H \r\n< ATOM 209 HZ3 TRP B 5 19.630 24.583 16.529 1.00 70.85 B H \r\n< ATOM 210 HH2 TRP B 5 17.449 25.446 17.269 1.00 70.57 B H \r\n< ATOM 211 N GLY B 6 21.016 22.599 9.320 1.00 73.16 B N \r\n< ATOM 212 CA GLY B 6 22.062 21.884 8.620 1.00 77.24 B C \r\n< ATOM 213 C GLY B 6 22.116 20.427 9.058 1.00 80.57 B C \r\n< ATOM 214 O GLY B 6 22.421 19.538 8.273 1.00 80.66 B O \r\n< ATOM 215 H GLY B 6 20.434 23.252 8.816 1.00 87.79 B H \r\n< ATOM 216 1HA GLY B 6 21.883 21.944 7.545 1.00 92.69 B H \r\n< ATOM 217 2HA GLY B 6 23.018 22.367 8.815 1.00 92.69 B H \r\n< HETATM 218 C2 SIA B1004 14.963 26.935 8.918 1.00 48.30 C C \r\n< HETATM 219 C3 SIA B1004 14.380 27.962 7.862 1.00 44.66 C C \r\n< HETATM 220 C4 SIA B1004 12.843 27.831 7.778 1.00 44.48 C C \r\n< HETATM 221 C5 SIA B1004 12.252 28.110 9.158 1.00 44.27 C C \r\n< HETATM 222 C6 SIA B1004 12.907 27.022 10.172 1.00 44.79 C C \r\n< HETATM 223 C7 SIA B1004 12.552 27.089 11.685 1.00 43.48 C C \r\n< HETATM 224 C8 SIA B1004 12.813 25.750 12.389 1.00 41.96 C C \r\n< HETATM 225 O8 SIA B1004 11.784 24.828 12.103 1.00 41.95 C O \r\n< HETATM 226 O6 SIA B1004 14.369 27.151 10.167 1.00 46.17 C O \r\n< HETATM 227 C1 SIA B1004 14.670 25.488 8.601 1.00 47.13 C C \r\n< HETATM 228 1O1 SIA B1004 14.690 25.074 7.367 1.00 47.87 C O \r\n< HETATM 229 2O1 SIA B1004 14.929 24.582 9.525 1.00 48.21 C O \r\n< HETATM 230 O4 SIA B1004 12.301 28.676 6.755 1.00 43.23 C O \r\n< HETATM 231 N5 SIA B1004 10.788 28.067 8.960 1.00 47.12 C N \r\n< HETATM 232 O7 SIA B1004 13.377 28.126 12.219 1.00 44.09 C O \r\n< HETATM 233 C9 SIA B1004 12.880 25.888 13.916 1.00 39.96 C C \r\n< HETATM 234 O9 SIA B1004 13.010 24.579 14.459 1.00 39.81 C O \r\n< HETATM 235 C10 SIA B1004 9.976 28.903 9.616 1.00 43.74 C C \r\n< HETATM 236 C11 SIA B1004 8.488 28.842 9.404 1.00 45.25 C C \r\n< HETATM 237 O10 SIA B1004 10.439 29.734 10.418 1.00 46.28 C O \r\n< HETATM 238 1H3 SIA B1004 14.816 27.747 6.877 1.00 53.59 C H \r\n< HETATM 239 2H3 SIA B1004 14.655 28.982 8.180 1.00 53.59 C H \r\n< HETATM 240 H4 SIA B1004 12.582 26.808 7.449 1.00 53.38 C H \r\n< HETATM 241 H5 SIA B1004 12.542 29.125 9.465 1.00 53.12 C H \r\n< HETATM 242 H6 SIA B1004 12.599 26.010 9.847 1.00 53.75 C H \r\n< HETATM 243 H7 SIA B1004 11.482 27.339 11.792 1.00 52.18 C H \r\n< HETATM 244 H8 SIA B1004 13.767 25.340 12.028 1.00 50.35 C H \r\n< HETATM 245 HO8 SIA B1004 11.915 24.464 11.198 1.00 50.34 C H \r\n< HETATM 246 HO4 SIA B1004 12.789 29.536 6.744 1.00 51.88 C H \r\n< HETATM 247 HN5 SIA B1004 10.403 27.415 8.325 1.00 56.54 C H \r\n< HETATM 248 HO7 SIA B1004 14.245 28.125 11.747 1.00 52.91 C H \r\n< HETATM 249 1H9 SIA B1004 13.751 26.506 14.191 1.00 47.95 C H \r\n< HETATM 250 2H9 SIA B1004 11.956 26.356 14.279 1.00 47.95 C H \r\n< HETATM 251 HO9 SIA B1004 12.311 23.999 14.074 1.00 47.77 C H \r\n< HETATM 252 1HC5 SIA B1004 8.104 27.862 9.720 1.00 54.30 C H \r\n< HETATM 253 2HC5 SIA B1004 8.258 28.945 8.330 1.00 54.30 C H \r\n< HETATM 254 3HC5 SIA B1004 7.998 29.676 9.935 1.00 54.30 C H \r\n---\r\n> ATOM 150 N GLY B 2 19.299 22.758 3.213 1.00 79.53 B N \r\n> ATOM 151 CA GLY B 2 18.059 23.194 3.837 1.00 78.50 B C \r\n> ATOM 152 C GLY B 2 18.299 24.378 4.761 1.00 77.94 B C \r\n> ATOM 153 O GLY B 2 17.352 24.993 5.264 1.00 77.53 B O \r\n> ATOM 154 H GLY B 2 19.255 22.212 2.356 1.00 95.44 B H \r\n> ATOM 155 1HA GLY B 2 17.344 23.468 3.058 1.00 94.20 B H \r\n> ATOM 156 2HA GLY B 2 17.627 22.365 4.394 1.00 94.20 B H \r\n> ATOM 157 N HIS B 3 19.567 24.711 4.965 1.00 76.46 B N \r\n> ATOM 158 CA HIS B 3 19.945 25.821 5.829 1.00 73.30 B C \r\n> ATOM 159 C HIS B 3 19.565 25.544 7.292 1.00 69.73 B C \r\n> ATOM 160 O HIS B 3 19.824 24.445 7.791 1.00 69.77 B O \r\n> ATOM 161 CB HIS B 3 19.283 27.114 5.305 1.00109.95 B C \r\n> ATOM 162 CG HIS B 3 19.753 28.365 5.951 1.00109.95 B C \r\n> ATOM 163 ND1 HIS B 3 19.020 29.021 6.908 1.00109.95 B N \r\n> ATOM 164 CD2 HIS B 3 20.887 29.082 5.785 1.00109.95 B C \r\n> ATOM 165 CE1 HIS B 3 19.686 30.091 7.312 1.00109.95 B C \r\n> ATOM 166 NE2 HIS B 3 20.818 30.150 6.646 1.00109.95 B N \r\n> ATOM 167 H HIS B 3 20.293 24.158 4.508 1.00 91.75 B H \r\n> ATOM 168 HA HIS B 3 21.026 25.965 5.793 1.00 87.96 B H \r\n> ATOM 169 1HB HIS B 3 19.461 27.197 4.231 1.00131.94 B H \r\n> ATOM 170 2HB HIS B 3 18.208 27.049 5.450 1.00131.94 B H \r\n> ATOM 171 HD2 HIS B 3 21.702 28.852 5.097 1.00131.94 B H \r\n> ATOM 172 HE1 HIS B 3 19.357 30.802 8.065 1.00131.94 B H \r\n> ATOM 173 HE2 HIS B 3 21.527 30.862 6.749 1.00131.94 B H \r\n> ATOM 174 N THR B 4 18.981 26.525 7.980 1.00 67.23 B N \r\n> ATOM 175 CA THR B 4 18.694 26.461 9.410 1.00 65.06 B C \r\n> ATOM 176 C THR B 4 19.579 25.426 10.122 1.00 65.55 B C \r\n> ATOM 177 O THR B 4 20.669 25.752 10.601 1.00 68.18 B O \r\n> ATOM 178 CB THR B 4 17.183 26.163 9.661 1.00 61.21 B C \r\n> ATOM 179 OG1 THR B 4 16.388 27.214 9.068 1.00 57.43 B O \r\n> ATOM 180 CG2 THR B 4 16.867 26.091 11.198 1.00 58.64 B C \r\n> ATOM 181 H THR B 4 18.756 27.387 7.485 1.00 80.68 B H \r\n> ATOM 182 HA THR B 4 18.913 27.435 9.839 1.00 78.07 B H \r\n> ATOM 183 HB THR B 4 16.920 25.210 9.200 1.00 73.45 B H \r\n> ATOM 184 1HG2 THR B 4 15.805 25.884 11.336 1.00 70.37 B H \r\n> ATOM 185 2HG2 THR B 4 17.445 25.296 11.665 1.00 70.37 B H \r\n> ATOM 186 3HG2 THR B 4 17.111 27.039 11.670 1.00 70.37 B H \r\n> ATOM 187 N TRP B 5 19.058 24.210 10.300 1.00 67.01 B N \r\n> ATOM 188 CA TRP B 5 19.655 23.241 11.220 1.00 67.38 B C \r\n> ATOM 189 C TRP B 5 20.812 22.438 10.608 1.00 69.97 B C \r\n> ATOM 190 O TRP B 5 21.483 21.672 11.307 1.00 70.67 B O \r\n> ATOM 191 CB TRP B 5 18.575 22.289 11.727 1.00 65.87 B C \r\n> ATOM 192 CG TRP B 5 17.532 22.972 12.587 1.00 61.59 B C \r\n> ATOM 193 CD1 TRP B 5 16.213 23.131 12.300 1.00 59.75 B C \r\n> ATOM 194 CD2 TRP B 5 17.744 23.604 13.876 1.00 59.61 B C \r\n> ATOM 195 NE1 TRP B 5 15.582 23.802 13.333 1.00 57.75 B N \r\n> ATOM 196 CE2 TRP B 5 16.506 24.104 14.291 1.00 58.19 B C \r\n> ATOM 197 CE3 TRP B 5 18.859 23.786 14.695 1.00 59.67 B C \r\n> ATOM 198 CZ2 TRP B 5 16.349 24.771 15.491 1.00 58.85 B C \r\n> ATOM 199 CZ3 TRP B 5 18.710 24.454 15.896 1.00 59.04 B C \r\n> ATOM 200 CH2 TRP B 5 17.487 24.936 16.287 1.00 58.81 B C \r\n> ATOM 201 H TRP B 5 18.195 23.981 9.831 1.00 80.41 B H \r\n> ATOM 202 HA TRP B 5 20.046 23.792 12.076 1.00 80.86 B H \r\n> ATOM 203 1HB TRP B 5 18.072 21.829 10.875 1.00 79.04 B H \r\n> ATOM 204 2HB TRP B 5 19.026 21.501 12.312 1.00 79.04 B H \r\n> ATOM 205 HD1 TRP B 5 15.720 22.774 11.395 1.00 71.70 B H \r\n> ATOM 206 HE1 TRP B 5 14.594 24.044 13.388 1.00 69.30 B H \r\n> ATOM 207 HE3 TRP B 5 19.831 23.404 14.394 1.00 71.60 B H \r\n> ATOM 208 HZ2 TRP B 5 15.377 25.159 15.814 1.00 70.62 B H \r\n> ATOM 209 HZ3 TRP B 5 19.591 24.586 16.525 1.00 70.85 B H \r\n> ATOM 210 HH2 TRP B 5 17.406 25.460 17.242 1.00 70.57 B H \r\n> ATOM 211 N GLY B 6 21.034 22.592 9.315 1.00 73.16 B N \r\n> ATOM 212 CA GLY B 6 22.095 21.891 8.621 1.00 77.24 B C \r\n> ATOM 213 C GLY B 6 22.159 20.434 9.060 1.00 80.57 B C \r\n> ATOM 214 O GLY B 6 22.455 19.546 8.259 1.00 80.66 B O \r\n> ATOM 215 H GLY B 6 20.449 23.236 8.802 1.00 87.79 B H \r\n> ATOM 216 1HA GLY B 6 21.928 21.950 7.544 1.00 92.69 B H \r\n> ATOM 217 2HA GLY B 6 23.041 22.382 8.827 1.00 92.69 B H \r\n> HETATM 218 C2 SIA B1004 14.962 26.929 8.921 1.00 48.30 C C \r\n> HETATM 219 C3 SIA B1004 14.379 27.953 7.860 1.00 44.66 C C \r\n> HETATM 220 C4 SIA B1004 12.842 27.815 7.781 1.00 44.48 C C \r\n> HETATM 221 C5 SIA B1004 12.252 28.106 9.161 1.00 44.27 C C \r\n> HETATM 222 C6 SIA B1004 12.908 27.026 10.177 1.00 44.79 C C \r\n> HETATM 223 C7 SIA B1004 12.555 27.095 11.693 1.00 43.48 C C \r\n> HETATM 224 C8 SIA B1004 12.811 25.756 12.397 1.00 41.96 C C \r\n> HETATM 225 O8 SIA B1004 11.793 24.835 12.102 1.00 41.95 C O \r\n> HETATM 226 O6 SIA B1004 14.375 27.162 10.171 1.00 46.17 C O \r\n> HETATM 227 C1 SIA B1004 14.670 25.481 8.608 1.00 47.13 C C \r\n> HETATM 228 1O1 SIA B1004 14.725 25.046 7.404 1.00 47.87 C O \r\n> HETATM 229 2O1 SIA B1004 14.890 24.598 9.570 1.00 48.21 C O \r\n> HETATM 230 O4 SIA B1004 12.306 28.656 6.748 1.00 43.23 C O \r\n> HETATM 231 N5 SIA B1004 10.786 28.062 8.962 1.00 47.12 C N \r\n> HETATM 232 O7 SIA B1004 13.383 28.132 12.231 1.00 44.09 C O \r\n> HETATM 233 C9 SIA B1004 12.878 25.904 13.922 1.00 39.96 C C \r\n> HETATM 234 O9 SIA B1004 12.981 24.602 14.488 1.00 39.81 C O \r\n> HETATM 235 C10 SIA B1004 9.979 28.898 9.627 1.00 43.74 C C \r\n> HETATM 236 C11 SIA B1004 8.483 28.842 9.421 1.00 45.25 C C \r\n> HETATM 237 O10 SIA B1004 10.446 29.723 10.426 1.00 46.28 C O \r\n> HETATM 238 1H3 SIA B1004 14.821 27.734 6.877 1.00 53.59 C H \r\n> HETATM 239 2H3 SIA B1004 14.654 28.972 8.165 1.00 53.59 C H \r\n> HETATM 240 H4 SIA B1004 12.586 26.793 7.459 1.00 53.38 C H \r\n> HETATM 241 H5 SIA B1004 12.544 29.130 9.457 1.00 53.12 C H \r\n> HETATM 242 H6 SIA B1004 12.605 26.016 9.859 1.00 53.75 C H \r\n> HETATM 243 H7 SIA B1004 11.488 27.349 11.801 1.00 52.18 C H \r\n> HETATM 244 H8 SIA B1004 13.773 25.346 12.041 1.00 50.35 C H \r\n> HETATM 245 HO8 SIA B1004 11.926 24.471 11.197 1.00 50.34 C H \r\n> HETATM 246 HO4 SIA B1004 12.785 29.523 6.750 1.00 51.88 C H \r\n> HETATM 247 HN5 SIA B1004 10.403 27.414 8.324 1.00 56.54 C H \r\n> HETATM 248 HO7 SIA B1004 14.235 28.159 11.732 1.00 52.91 C H \r\n> HETATM 249 1H9 SIA B1004 13.761 26.503 14.191 1.00 47.95 C H \r\n> HETATM 250 2H9 SIA B1004 11.965 26.398 14.279 1.00 47.95 C H \r\n> HETATM 251 HO9 SIA B1004 12.242 24.042 14.142 1.00 47.77 C H \r\n> HETATM 252 1HC5 SIA B1004 8.102 27.862 9.739 1.00 54.30 C H \r\n> HETATM 253 2HC5 SIA B1004 8.250 28.949 8.354 1.00 54.30 C H \r\n> HETATM 254 3HC5 SIA B1004 8.002 29.675 9.962 1.00 54.30 C H \r\n419,433c419,433\r\n< pose -44.5453 5.26426 55.8531 -34.5595 40.8317 42.9686 14.1482 -13.21 -0.03375 -0.36257 -22.3641 -13.3047 -0.66018 0 -3.09738 -1.03032 0 0 0.67456 0.21737 0.23075 5.89387 0.11969 4.64936 3.07827 6.09953 34.1929 9.68064 3.17009 29.5197 11.4226 134.847\r\n< THR:NtermTruncation_1 -1.402 0.18742 1.72699 -1.78825 1.42261 1.92636 0.3563 -0.40088 -0.01266 -0.14542 -1.44132 -3.42129 0 0 0 0 0 0 0.05332 0.12168 0.23075 0 0 2.35332 -1.425 0 0.10327 0.08299 0.04148 0 0.02029 -1.41004\r\n< ASN:N-glycosylated_2 -3.28757 0.59939 3.59327 -2.17356 2.21736 2.09635 0.44535 -0.83354 -0.01275 -0.14593 -3.14546 -3.14117 0 0 -0.25258 0 0 0 -0.04547 0 0 0 -0.54658 0 -0.87355 -0.30539 0.27068 0.22755 0.13233 0 0.02458 -5.15669\r\n< GLY:CtermTruncation_3 -1.20504 0.31675 1.41438 -0.23771 0.06075 0.481 0.33072 -0.36992 -0 -0 -1.74695 -2.78221 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.30539 0.11332 0.06864 0.07606 0 0.00294 -2.57188\r\n< ->3)-beta-D-Glcp:->4)-branch:2-AcNH_4 -5.30205 0.41067 7.14864 -5.27131 7.69814 6.53484 1.266 -1.48444 -9e-05 -0.00051 0.63017 0.81916 0 0 -0.25258 0 0 0 0 0 0 0 0 0 0 0 4.16713 0.67326 0.28886 7.06734 0.00797 24.4012\r\n< ->3)-alpha-L-Fucp:non-reducing_end_5 -3.02106 0.20459 4.4403 -3.51738 4.70392 3.6077 0.81359 -0.62398 -0 -0 0.06234 2.37902 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.95834 1.38022 0.3716 3.78662 0.00331 17.5491\r\n< ->4)-beta-D-Glcp:2-AcNH_6 -4.80097 0.23405 7.03051 -5.28151 6.72787 6.39722 1.41701 -1.17977 -0 -0 0.2465 0.76576 0 0 -0.7944 0 0 0 0 0 0 0 0 0 0 0 4.41039 1.05246 0.38455 6.98448 0.00737 23.6015\r\n< ->2)-beta-D-Manp_7 -2.52556 0.23265 4.38356 -0.45203 0.0751 0.51676 0.46115 -0.35373 -0 -0 0.47298 0.05426 0 0 -0.7944 0 0 0 0 0 0 0 0 0 0 0 4.4705 1.21767 0.30582 7.10357 0.00406 15.1723\r\n< ->3)-beta-D-Xylp:non-reducing_end_8 -1.71024 0.15487 3.01303 -2.62795 4.32611 2.77059 0.38716 -0.32004 -0 -0 0.34457 1.11325 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.03052 1.48786 0.28305 4.00708 0 16.2599\r\n< GLY:NtermTruncation_9 -1.50645 0.28254 1.92444 -0.22894 0.02802 0.45021 0.40294 -0.55986 -0.00413 -0.03536 -1.04794 -2.82935 0 0 0 0 0 0 -0.00096 0 0 0 0 0 1.2108 0 0.01206 0.00923 0.0026 0 0.00485 -1.88529\r\n< HIS_10 -3.99649 0.68872 4.96276 -0.41632 0.00438 0.20578 1.96623 -1.64335 -0.00413 -0.03536 -5.93705 -1.05128 0 0 -0.50171 0 0 0 0.08348 0.09274 0 3.90493 0.49769 0 0.13443 1.33469 0.17005 0.19687 0.02854 0 0.04308 0.72868\r\n< THR:O-conjugated_11 -6.25796 0.91376 5.79962 -1.7501 1.85024 1.67483 1.96104 -1.9798 -0 -0 -3.24169 -3.10774 0 0 -0.50171 0 0 0 0.63659 0 0 0 0.17867 2.29604 -1.425 3.56085 0.77957 0.78348 0.14828 0 0.23955 2.55851\r\n< TRP_12 -4.74818 0.55111 4.10225 -0.96414 0.14698 0.39342 1.42299 -1.32406 -0 -0 -4.07052 -0.35154 0 0 0 -0.51516 0 0 -0.05241 0.00295 0 1.98894 -0.01008 0 3.035 2.02046 0.32611 0.16594 0.07335 0 0.16978 2.36318\r\n< GLY:CtermTruncation_13 -1.60227 0.25441 2.05228 -0.23849 0.05509 0.48125 0.97789 -0.66553 -0 -0 -2.89388 -2.78196 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.2057 0.10948 0.11917 0.03403 0 0.01586 -3.07756\r\n< ->8)-alpha-Neup:non-reducing_end:5-Ac_14 -3.17948 0.23333 4.26104 -9.61179 11.5151 15.4323 1.93987 -1.47112 -0 -0 -0.59588 1.0304 0 0 0 -0.51516 0 0 0 0 0 0 0 0 0 0 13.2715 2.21529 0.99955 0.57064 10.879 46.9746\r\n---\r\n> pose -44.6038 5.31739 55.8462 -34.5794 40.9131 43.0277 14.1587 -13.2157 -0.03496 -0.37151 -22.3599 -13.3997 -0.70663 0 -3.03903 -0.85984 0 0 0.72758 0.23206 0.22005 5.87611 0.15708 4.65074 3.07827 6.13725 34.2545 9.5906 3.30933 29.7855 11.2571 135.369\r\n> THR:NtermTruncation_1 -1.4006 0.19403 1.72426 -1.78924 1.40732 1.93062 0.35497 -0.40034 -0.01309 -0.14885 -1.43376 -3.43994 0 0 0 0 0 0 0.05769 0.1307 0.22005 0 0 2.35589 -1.425 0 0.10107 0.07425 0.04396 0 0.01998 -1.43603\r\n> ASN:N-glycosylated_2 -3.28201 0.61114 3.57817 -2.1701 2.22334 2.08757 0.44009 -0.82814 -0.01323 -0.14969 -3.15109 -3.13244 0 0 -0.24631 0 0 0 -0.02984 0 0 0 -0.53486 0 -0.87355 -0.30298 0.27577 0.24292 0.12682 0 0.02749 -5.10093\r\n> GLY:CtermTruncation_3 -1.2067 0.32361 1.41175 -0.23832 0.06339 0.48278 0.3288 -0.3693 -0 -0 -1.76466 -2.79134 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.30298 0.12342 0.07396 0.08135 0 0.00508 -2.56835\r\n> ->3)-beta-D-Glcp:->4)-branch:2-AcNH_4 -5.30172 0.41213 7.14025 -5.27239 7.65063 6.52586 1.27018 -1.47823 -0.00014 -0.00084 0.62562 0.81088 0 0 -0.24631 0 0 0 0 0 0 0 0 0 0 0 4.24512 0.68252 0.27827 7.22575 0.01271 24.5803\r\n> ->3)-alpha-L-Fucp:non-reducing_end_5 -3.02573 0.20847 4.43517 -3.5208 4.7456 3.61062 0.81985 -0.62205 -0 -0 0.06285 2.35332 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.00727 1.36023 0.40575 3.83252 0.00514 17.6782\r\n> ->4)-beta-D-Glcp:2-AcNH_6 -4.79775 0.23677 7.01118 -5.2895 6.70517 6.40808 1.40756 -1.17568 -0 -0 0.24121 0.76457 0 0 -0.7875 0 0 0 0 0 0 0 0 0 0 0 4.47379 1.09099 0.36581 7.10982 0.00758 23.7721\r\n> ->2)-beta-D-Manp_7 -2.52163 0.23329 4.37679 -0.45047 0.07359 0.51403 0.46107 -0.35255 -0 -0 0.46763 0.04689 0 0 -0.7875 0 0 0 0 0 0 0 0 0 0 0 4.51522 1.25764 0.31517 7.13758 0.00244 15.2892\r\n> ->3)-beta-D-Xylp:non-reducing_end_8 -1.71142 0.15166 3.01268 -2.63069 4.40123 2.77358 0.38412 -0.31985 -0 -0 0.34461 1.08129 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3.0142 1.4288 0.29232 4.01494 0 16.2375\r\n> GLY:NtermTruncation_9 -1.51146 0.28837 1.93186 -0.22878 0.02674 0.45005 0.43765 -0.56248 -0.00425 -0.03607 -1.07691 -2.85275 0 0 0 0 0 0 -0.00121 0 0 0 0 0 1.2108 0 0.01367 0.00872 0.00629 0 0.00302 -1.89675\r\n> HIS_10 -4.00926 0.70528 4.97769 -0.41888 0.00462 0.20794 1.97132 -1.64876 -0.00425 -0.03607 -5.9625 -1.0539 0 0 -0.48571 0 0 0 0.05224 0.09424 0 3.89268 0.50458 0 0.13443 1.34119 0.16185 0.19172 0.03059 0 0.03539 0.68643\r\n> THR:O-conjugated_11 -6.28336 0.92221 5.80391 -1.74877 1.84684 1.67228 1.94433 -1.9869 -0 -0 -3.23682 -3.12336 0 0 -0.48571 0 0 0 0.67977 0 0 0 0.19692 2.29485 -1.425 3.57579 0.78461 0.77258 0.15689 0 0.24143 2.60251\r\n> TRP_12 -4.77546 0.56137 4.11873 -0.96314 0.1386 0.39802 1.42228 -1.33352 -0 -0 -4.0367 -0.34521 0 0 0 -0.42992 0 0 -0.03108 0.00712 0 1.98343 -0.00956 0 3.035 2.03042 0.34107 0.17358 0.07996 0 0.17432 2.53933\r\n> GLY:CtermTruncation_13 -1.5912 0.24927 2.04165 -0.23905 0.05833 0.48276 0.96959 -0.6602 -0 -0 -2.88179 -2.77815 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.20419 0.10949 0.12753 0.03153 0 0.0142 -3.05942\r\n> ->8)-alpha-Neup:non-reducing_end:5-Ac_14 -3.18546 0.2198 4.28212 -9.61929 11.5677 15.4836 1.94691 -1.47774 -0 -0 -0.55764 1.06044 0 0 0 -0.42992 0 0 0 0 0 0 0 0 0 0 13.0879 2.10514 1.09461 0.46489 10.7083 46.7513\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/glycan_anomers/score.sc /home/benchmark/working_dir/master:61988/glycan_anomers/score.sc\r\n3c3\r\n< SCORE: 134.847 0.000 34.193 9.681 3.170 29.520 11.423 0.000 -44.545 0.217 0.231 5.894 -22.364 -34.559 -13.305 40.832 42.969 5.264 55.853 -3.097 0.000 -1.030 -0.660 4.649 14.148 -0.034 -0.363 -13.210 0.675 0.120 6.100 3.078 anomers_0001\r\n---\r\n> SCORE: 135.369 0.000 34.254 9.591 3.309 29.786 11.257 0.000 -44.604 0.232 0.220 5.876 -22.360 -34.579 -13.400 40.913 43.028 5.317 55.846 -3.039 0.000 -0.860 -0.707 4.651 14.159 -0.035 -0.372 -13.216 0.728 0.157 6.137 3.078 anomers_0001\r\n",
"state": "failed"
},
"glycan_clash_check": {
"log": "",
"state": "passed"
},
"glycan_refinment": {
"log": "",
"state": "passed"
},
"glycan_relax": {
"log": "",
"state": "passed"
},
"glycan_sequon_scanner": {
"log": "",
"state": "passed"
},
"glycan_tree_relax": {
"log": "",
"state": "passed"
},
"glycomutagenesis": {
"log": "",
"state": "passed"
},
"glycopeptidedocking": {
"log": "",
"state": "passed"
},
"glycopeptidedocking_diglyco_long": {
"log": "",
"state": "passed"
},
"glycosylation": {
"log": "",
"state": "passed"
},
"grid_scores_features": {
"log": "",
"state": "passed"
},
"hbnet": {
"log": "",
"state": "passed"
},
"hbnet_asymm": {
"log": "",
"state": "passed"
},
"hbnet_energy": {
"log": "",
"state": "passed"
},
"hbnet_energy_rosettascripts_linear": {
"log": "",
"state": "passed"
},
"hbnet_energy_symm": {
"log": "",
"state": "passed"
},
"hbnet_use_input_rot": {
"log": "",
"state": "passed"
},
"hbonds": {
"log": "",
"state": "passed"
},
"hbonds_sp2": {
"log": "",
"state": "passed"
},
"hbondstoresidue_selector": {
"log": "",
"state": "passed"
},
"hbs_design": {
"log": "",
"state": "passed"
},
"header_using_check": {
"log": "",
"state": "passed"
},
"helical_bundle": {
"log": "",
"state": "passed"
},
"helical_bundle_nonideal": {
"log": "",
"state": "passed"
},
"helical_bundle_predict": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_psipred_with_helix_globals": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_sequence": {
"log": "",
"state": "passed"
},
"helical_bundle_predict_skipping_residues": {
"log": "",
"state": "passed"
},
"helix_from_sequence": {
"log": "",
"state": "passed"
},
"hierarchical_clustering": {
"log": "",
"state": "passed"
},
"homodimer_fnd_ref2015_memb": {
"log": "",
"state": "passed"
},
"hotspot_graft": {
"log": "",
"state": "passed"
},
"hotspot_hashing": {
"log": "",
"state": "passed"
},
"hotspot_stub_constraints": {
"log": "",
"state": "passed"
},
"hshash_utils": {
"log": "",
"state": "passed"
},
"hts_io": {
"log": "",
"state": "passed"
},
"hybridization": {
"log": "",
"state": "passed"
},
"hydrate": {
"log": "",
"state": "passed"
},
"hydrate_relax": {
"log": "",
"state": "passed"
},
"identify_cdr_clusters": {
"log": "",
"state": "passed"
},
"ig_dump": {
"log": "",
"state": "passed"
},
"include_cc_check": {
"log": "",
"state": "passed"
},
"interaction_graph_summary_metric": {
"log": "",
"state": "passed"
},
"interface_energy": {
"log": "",
"state": "passed"
},
"inv_kin_lig_loop_design": {
"log": "",
"state": "passed"
},
"inverse_rotamer_remodel": {
"log": "",
"state": "passed"
},
"iphold": {
"log": "",
"state": "passed"
},
"jd2test_PDBIO": {
"log": "",
"state": "passed"
},
"jd2test_PDBin_mmCIFout": {
"log": "",
"state": "passed"
},
"jd2test_PDBin_mmCIFout_extra_data_separate": {
"log": "",
"state": "passed"
},
"jd2test_mmCIFIO": {
"log": "",
"state": "passed"
},
"jd2test_mmCIFin_PDBout": {
"log": "",
"state": "passed"
},
"job_definition_script_vars": {
"log": "",
"state": "passed"
},
"jrelax": {
"log": "",
"state": "passed"
},
"jscore": {
"log": "",
"state": "passed"
},
"kinemage_grid_output": {
"log": "",
"state": "passed"
},
"kinematic_looprelax": {
"log": "",
"state": "passed"
},
"ld_converter": {
"log": "",
"state": "passed"
},
"ligand_database_io": {
"log": "",
"state": "passed"
},
"ligand_dock_7cpa": {
"log": "",
"state": "passed"
},
"ligand_dock_cholesterol": {
"log": "",
"state": "passed"
},
"ligand_dock_ensemble": {
"log": "",
"state": "passed"
},
"ligand_dock_grid": {
"log": "",
"state": "passed"
},
"ligand_dock_script": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61987/ligand_dock_script/7cpa_input_0001.pdb and /home/benchmark/working_dir/master:61988/ligand_dock_script/7cpa_input_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61987/ligand_dock_script/log and /home/benchmark/working_dir/master:61988/ligand_dock_script/log differ\r\nFiles /home/benchmark/working_dir/master:61987/ligand_dock_script/score.sc and /home/benchmark/working_dir/master:61988/ligand_dock_script/score.sc differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_dock_script/7cpa_input_0001.pdb /home/benchmark/working_dir/master:61988/ligand_dock_script/7cpa_input_0001.pdb\r\n1110,1114c1110,1114\r\n< ATOM 1094 CG HIS A 69 -0.647 24.418 -5.193 1.00 0.00 C \r\n< ATOM 1095 ND1 HIS A 69 -0.837 25.746 -5.513 1.00 0.00 N \r\n< ATOM 1096 CD2 HIS A 69 0.419 24.005 -5.919 1.00 0.00 C \r\n< ATOM 1097 CE1 HIS A 69 0.076 26.119 -6.393 1.00 0.00 C \r\n< ATOM 1098 NE2 HIS A 69 0.849 25.081 -6.656 1.00 0.00 N \r\n---\r\n> ATOM 1094 CG HIS A 69 -0.650 24.418 -5.196 1.00 0.00 C \r\n> ATOM 1095 ND1 HIS A 69 -0.826 25.752 -5.497 1.00 0.00 N \r\n> ATOM 1096 CD2 HIS A 69 0.400 23.999 -5.941 1.00 0.00 C \r\n> ATOM 1097 CE1 HIS A 69 0.080 26.122 -6.386 1.00 0.00 C \r\n> ATOM 1098 NE2 HIS A 69 0.835 25.077 -6.671 1.00 0.00 N \r\n1117,1121c1117,1121\r\n< ATOM 1101 1HB HIS A 69 -2.559 23.898 -4.469 1.00 0.00 H \r\n< ATOM 1102 2HB HIS A 69 -1.332 24.095 -3.225 1.00 0.00 H \r\n< ATOM 1103 HD2 HIS A 69 0.854 23.005 -5.919 1.00 0.00 H \r\n< ATOM 1104 HE1 HIS A 69 0.174 27.113 -6.828 1.00 0.00 H \r\n< ATOM 1105 HE2 HIS A 69 1.631 25.074 -7.295 1.00 0.00 H \r\n---\r\n> ATOM 1101 1HB HIS A 69 -2.560 23.898 -4.465 1.00 0.00 H \r\n> ATOM 1102 2HB HIS A 69 -1.329 24.096 -3.226 1.00 0.00 H \r\n> ATOM 1103 HD2 HIS A 69 0.822 22.993 -5.959 1.00 0.00 H \r\n> ATOM 1104 HE1 HIS A 69 0.186 27.121 -6.810 1.00 0.00 H \r\n> ATOM 1105 HE2 HIS A 69 1.609 25.067 -7.320 1.00 0.00 H \r\n1138,1143c1138,1143\r\n< ATOM 1122 CG ARG A 71 -1.816 24.682 1.182 1.00 0.00 C \r\n< ATOM 1123 CD ARG A 71 -0.685 25.536 1.628 1.00 0.00 C \r\n< ATOM 1124 NE ARG A 71 -0.482 26.672 0.745 1.00 0.00 N \r\n< ATOM 1125 CZ ARG A 71 0.560 27.524 0.821 1.00 0.00 C \r\n< ATOM 1126 NH1 ARG A 71 1.482 27.354 1.742 1.00 0.00 N \r\n< ATOM 1127 NH2 ARG A 71 0.655 28.530 -0.032 1.00 0.00 N \r\n---\r\n> ATOM 1122 CG ARG A 71 -1.818 24.684 1.183 1.00 0.00 C \r\n> ATOM 1123 CD ARG A 71 -0.749 25.589 1.676 1.00 0.00 C \r\n> ATOM 1124 NE ARG A 71 -0.548 26.724 0.790 1.00 0.00 N \r\n> ATOM 1125 CZ ARG A 71 0.525 27.539 0.823 1.00 0.00 C \r\n> ATOM 1126 NH1 ARG A 71 1.482 27.332 1.700 1.00 0.00 N \r\n> ATOM 1127 NH2 ARG A 71 0.615 28.547 -0.027 1.00 0.00 N \r\n1146,1156c1146,1156\r\n< ATOM 1130 1HB ARG A 71 -2.526 23.917 3.029 1.00 0.00 H \r\n< ATOM 1131 2HB ARG A 71 -1.077 23.129 2.424 1.00 0.00 H \r\n< ATOM 1132 1HG ARG A 71 -1.584 24.299 0.188 1.00 0.00 H \r\n< ATOM 1133 2HG ARG A 71 -2.713 25.300 1.132 1.00 0.00 H \r\n< ATOM 1134 1HD ARG A 71 -0.888 25.914 2.630 1.00 0.00 H \r\n< ATOM 1135 2HD ARG A 71 0.232 24.947 1.642 1.00 0.00 H \r\n< ATOM 1136 HE ARG A 71 -1.170 26.835 0.022 1.00 0.00 H \r\n< ATOM 1137 1HH1 ARG A 71 1.409 26.586 2.394 1.00 0.00 H \r\n< ATOM 1138 2HH1 ARG A 71 2.262 27.992 1.799 1.00 0.00 H \r\n< ATOM 1139 1HH2 ARG A 71 -0.054 28.660 -0.741 1.00 0.00 H \r\n< ATOM 1140 2HH2 ARG A 71 1.435 29.167 0.025 1.00 0.00 H \r\n---\r\n> ATOM 1130 1HB ARG A 71 -2.525 23.916 3.030 1.00 0.00 H \r\n> ATOM 1131 2HB ARG A 71 -1.076 23.129 2.423 1.00 0.00 H \r\n> ATOM 1132 1HG ARG A 71 -1.520 24.302 0.206 1.00 0.00 H \r\n> ATOM 1133 2HG ARG A 71 -2.737 25.262 1.082 1.00 0.00 H \r\n> ATOM 1134 1HD ARG A 71 -1.020 25.969 2.661 1.00 0.00 H \r\n> ATOM 1135 2HD ARG A 71 0.190 25.040 1.745 1.00 0.00 H \r\n> ATOM 1136 HE ARG A 71 -1.263 26.915 0.102 1.00 0.00 H \r\n> ATOM 1137 1HH1 ARG A 71 1.413 26.562 2.350 1.00 0.00 H \r\n> ATOM 1138 2HH1 ARG A 71 2.285 27.943 1.725 1.00 0.00 H \r\n> ATOM 1139 1HH2 ARG A 71 -0.121 28.706 -0.702 1.00 0.00 H \r\n> ATOM 1140 2HH2 ARG A 71 1.418 29.158 -0.003 1.00 0.00 H \r\n1162,1165c1162,1165\r\n< ATOM 1146 CG GLU A 72 -4.969 25.237 -2.138 1.00 0.00 C \r\n< ATOM 1147 CD GLU A 72 -4.541 25.435 -3.565 1.00 0.00 C \r\n< ATOM 1148 OE1 GLU A 72 -5.319 25.151 -4.444 1.00 0.00 O \r\n< ATOM 1149 OE2 GLU A 72 -3.434 25.872 -3.777 1.00 0.00 O \r\n---\r\n> ATOM 1146 CG GLU A 72 -4.949 25.222 -2.142 1.00 0.00 C \r\n> ATOM 1147 CD GLU A 72 -4.508 25.402 -3.568 1.00 0.00 C \r\n> ATOM 1148 OE1 GLU A 72 -5.268 25.081 -4.450 1.00 0.00 O \r\n> ATOM 1149 OE2 GLU A 72 -3.409 25.861 -3.776 1.00 0.00 O \r\n1168,1171c1168,1171\r\n< ATOM 1152 1HB GLU A 72 -5.438 23.212 -2.586 1.00 0.00 H \r\n< ATOM 1153 2HB GLU A 72 -6.838 24.235 -2.299 1.00 0.00 H \r\n< ATOM 1154 1HG GLU A 72 -5.530 26.114 -1.814 1.00 0.00 H \r\n< ATOM 1155 2HG GLU A 72 -4.086 25.152 -1.507 1.00 0.00 H \r\n---\r\n> ATOM 1152 1HB GLU A 72 -5.456 23.205 -2.589 1.00 0.00 H \r\n> ATOM 1153 2HB GLU A 72 -6.836 24.253 -2.293 1.00 0.00 H \r\n> ATOM 1154 1HG GLU A 72 -5.498 26.110 -1.829 1.00 0.00 H \r\n> ATOM 1155 2HG GLU A 72 -4.071 25.128 -1.505 1.00 0.00 H \r\n2001c2001\r\n< ATOM 1985 1HD1 LEU A 125 -0.852 27.553 8.210 1.00 0.00 H \r\n---\r\n> ATOM 1985 1HD1 LEU A 125 -0.852 27.553 8.209 1.00 0.00 H \r\n2036,2041c2036,2041\r\n< ATOM 2020 CG ARG A 127 1.852 25.136 -2.644 1.00 0.00 C \r\n< ATOM 2021 CD ARG A 127 1.889 26.610 -2.829 1.00 0.00 C \r\n< ATOM 2022 NE ARG A 127 2.003 26.978 -4.231 1.00 0.00 N \r\n< ATOM 2023 CZ ARG A 127 2.182 28.235 -4.680 1.00 0.00 C \r\n< ATOM 2024 NH1 ARG A 127 2.266 29.232 -3.827 1.00 0.00 N \r\n< ATOM 2025 NH2 ARG A 127 2.274 28.467 -5.978 1.00 0.00 N \r\n---\r\n> ATOM 2020 CG ARG A 127 1.844 25.139 -2.641 1.00 0.00 C \r\n> ATOM 2021 CD ARG A 127 1.833 26.614 -2.808 1.00 0.00 C \r\n> ATOM 2022 NE ARG A 127 2.002 27.004 -4.199 1.00 0.00 N \r\n> ATOM 2023 CZ ARG A 127 2.251 28.261 -4.616 1.00 0.00 C \r\n> ATOM 2024 NH1 ARG A 127 2.356 29.236 -3.740 1.00 0.00 N \r\n> ATOM 2025 NH2 ARG A 127 2.389 28.513 -5.906 1.00 0.00 N \r\n2044,2054c2044,2054\r\n< ATOM 2028 1HB ARG A 127 1.782 25.386 -0.538 1.00 0.00 H \r\n< ATOM 2029 2HB ARG A 127 3.361 24.938 -1.165 1.00 0.00 H \r\n< ATOM 2030 1HG ARG A 127 2.515 24.682 -3.380 1.00 0.00 H \r\n< ATOM 2031 2HG ARG A 127 0.830 24.795 -2.816 1.00 0.00 H \r\n< ATOM 2032 1HD ARG A 127 0.973 27.049 -2.435 1.00 0.00 H \r\n< ATOM 2033 2HD ARG A 127 2.746 27.022 -2.298 1.00 0.00 H \r\n< ATOM 2034 HE ARG A 127 1.943 26.237 -4.918 1.00 0.00 H \r\n< ATOM 2035 1HH1 ARG A 127 2.196 29.055 -2.835 1.00 0.00 H \r\n< ATOM 2036 2HH1 ARG A 127 2.401 30.174 -4.163 1.00 0.00 H \r\n< ATOM 2037 1HH2 ARG A 127 2.209 27.700 -6.634 1.00 0.00 H \r\n< ATOM 2038 2HH2 ARG A 127 2.408 29.409 -6.314 1.00 0.00 H \r\n---\r\n> ATOM 2028 1HB ARG A 127 1.787 25.386 -0.535 1.00 0.00 H \r\n> ATOM 2029 2HB ARG A 127 3.362 24.937 -1.171 1.00 0.00 H \r\n> ATOM 2030 1HG ARG A 127 2.526 24.715 -3.379 1.00 0.00 H \r\n> ATOM 2031 2HG ARG A 127 0.836 24.765 -2.821 1.00 0.00 H \r\n> ATOM 2032 1HD ARG A 127 0.882 27.013 -2.455 1.00 0.00 H \r\n> ATOM 2033 2HD ARG A 127 2.646 27.052 -2.230 1.00 0.00 H \r\n> ATOM 2034 HE ARG A 127 1.927 26.281 -4.902 1.00 0.00 H \r\n> ATOM 2035 1HH1 ARG A 127 2.251 29.042 -2.754 1.00 0.00 H \r\n> ATOM 2036 2HH1 ARG A 127 2.543 30.177 -4.053 1.00 0.00 H \r\n> ATOM 2037 1HH2 ARG A 127 2.307 27.764 -6.579 1.00 0.00 H \r\n> ATOM 2038 2HH2 ARG A 127 2.575 29.455 -6.219 1.00 0.00 H \r\n2263,2265c2263,2265\r\n< ATOM 2247 CG ASP A 142 4.141 25.848 -7.178 1.00 0.00 C \r\n< ATOM 2248 OD1 ASP A 142 3.302 25.041 -7.504 1.00 0.00 O \r\n< ATOM 2249 OD2 ASP A 142 3.903 27.021 -7.016 1.00 0.00 O \r\n---\r\n> ATOM 2247 CG ASP A 142 4.144 25.847 -7.200 1.00 0.00 C \r\n> ATOM 2248 OD1 ASP A 142 3.293 25.028 -7.454 1.00 0.00 O \r\n> ATOM 2249 OD2 ASP A 142 3.922 27.032 -7.128 1.00 0.00 O \r\n2268,2269c2268,2269\r\n< ATOM 2252 1HB ASP A 142 5.946 25.796 -6.035 1.00 0.00 H \r\n< ATOM 2253 2HB ASP A 142 6.190 25.734 -7.775 1.00 0.00 H \r\n---\r\n> ATOM 2252 1HB ASP A 142 5.931 25.795 -6.028 1.00 0.00 H \r\n> ATOM 2253 2HB ASP A 142 6.203 25.735 -7.764 1.00 0.00 H \r\n2285,2287c2285,2287\r\n< ATOM 2269 CG ASN A 144 -0.212 25.777 -11.057 1.00 0.00 C \r\n< ATOM 2270 OD1 ASN A 144 -0.449 25.193 -12.120 1.00 0.00 O \r\n< ATOM 2271 ND2 ASN A 144 -0.786 26.906 -10.727 1.00 0.00 N \r\n---\r\n> ATOM 2269 CG ASN A 144 -0.211 25.778 -11.057 1.00 0.00 C \r\n> ATOM 2270 OD1 ASN A 144 -0.446 25.196 -12.122 1.00 0.00 O \r\n> ATOM 2271 ND2 ASN A 144 -0.788 26.905 -10.724 1.00 0.00 N \r\n2290,2293c2290,2293\r\n< ATOM 2274 1HB ASN A 144 0.261 24.466 -9.455 1.00 0.00 H \r\n< ATOM 2275 2HB ASN A 144 1.103 26.009 -9.406 1.00 0.00 H \r\n< ATOM 2276 1HD2 ASN A 144 -1.448 27.330 -11.346 1.00 0.00 H \r\n< ATOM 2277 2HD2 ASN A 144 -0.564 27.344 -9.856 1.00 0.00 H \r\n---\r\n> ATOM 2274 1HB ASN A 144 0.260 24.466 -9.455 1.00 0.00 H \r\n> ATOM 2275 2HB ASN A 144 1.103 26.009 -9.405 1.00 0.00 H \r\n> ATOM 2276 1HD2 ASN A 144 -1.450 27.329 -11.343 1.00 0.00 H \r\n> ATOM 2277 2HD2 ASN A 144 -0.568 27.341 -9.852 1.00 0.00 H \r\n2299,2304c2299,2304\r\n< ATOM 2283 CG ARG A 145 5.262 27.996 -9.993 1.00 0.00 C \r\n< ATOM 2284 CD ARG A 145 4.661 29.097 -10.789 1.00 0.00 C \r\n< ATOM 2285 NE ARG A 145 3.956 30.050 -9.948 1.00 0.00 N \r\n< ATOM 2286 CZ ARG A 145 2.665 29.936 -9.579 1.00 0.00 C \r\n< ATOM 2287 NH1 ARG A 145 1.954 28.906 -9.982 1.00 0.00 N \r\n< ATOM 2288 NH2 ARG A 145 2.113 30.859 -8.810 1.00 0.00 N \r\n---\r\n> ATOM 2283 CG ARG A 145 5.265 28.013 -10.010 1.00 0.00 C \r\n> ATOM 2284 CD ARG A 145 4.634 29.079 -10.829 1.00 0.00 C \r\n> ATOM 2285 NE ARG A 145 3.974 30.078 -10.004 1.00 0.00 N \r\n> ATOM 2286 CZ ARG A 145 2.713 29.975 -9.540 1.00 0.00 C \r\n> ATOM 2287 NH1 ARG A 145 1.991 28.915 -9.828 1.00 0.00 N \r\n> ATOM 2288 NH2 ARG A 145 2.202 30.940 -8.795 1.00 0.00 N \r\n2307,2317c2307,2317\r\n< ATOM 2291 1HB ARG A 145 6.584 26.351 -10.210 1.00 0.00 H \r\n< ATOM 2292 2HB ARG A 145 6.797 27.618 -11.409 1.00 0.00 H \r\n< ATOM 2293 1HG ARG A 145 4.458 27.455 -9.493 1.00 0.00 H \r\n< ATOM 2294 2HG ARG A 145 5.924 28.434 -9.246 1.00 0.00 H \r\n< ATOM 2295 1HD ARG A 145 5.447 29.630 -11.324 1.00 0.00 H \r\n< ATOM 2296 2HD ARG A 145 3.952 28.683 -11.504 1.00 0.00 H \r\n< ATOM 2297 HE ARG A 145 4.470 30.856 -9.618 1.00 0.00 H \r\n< ATOM 2298 1HH1 ARG A 145 2.376 28.201 -10.570 1.00 0.00 H \r\n< ATOM 2299 2HH1 ARG A 145 0.987 28.821 -9.705 1.00 0.00 H \r\n< ATOM 2300 1HH2 ARG A 145 2.660 31.651 -8.500 1.00 0.00 H \r\n< ATOM 2301 2HH2 ARG A 145 1.147 30.773 -8.534 1.00 0.00 H \r\n---\r\n> ATOM 2291 1HB ARG A 145 6.570 26.351 -10.198 1.00 0.00 H \r\n> ATOM 2292 2HB ARG A 145 6.809 27.604 -11.407 1.00 0.00 H \r\n> ATOM 2293 1HG ARG A 145 4.479 27.479 -9.477 1.00 0.00 H \r\n> ATOM 2294 2HG ARG A 145 5.935 28.485 -9.290 1.00 0.00 H \r\n> ATOM 2295 1HD ARG A 145 5.396 29.579 -11.425 1.00 0.00 H \r\n> ATOM 2296 2HD ARG A 145 3.889 28.637 -11.490 1.00 0.00 H \r\n> ATOM 2297 HE ARG A 145 4.498 30.908 -9.761 1.00 0.00 H \r\n> ATOM 2298 1HH1 ARG A 145 2.381 28.177 -10.397 1.00 0.00 H \r\n> ATOM 2299 2HH1 ARG A 145 1.046 28.838 -9.480 1.00 0.00 H \r\n> ATOM 2300 1HH2 ARG A 145 2.758 31.755 -8.574 1.00 0.00 H \r\n> ATOM 2301 2HH2 ARG A 145 1.258 30.863 -8.448 1.00 0.00 H \r\n2414,2420c2414,2420\r\n< ATOM 2398 C LYS A 153 9.732 33.655 -15.230 1.00 0.00 C \r\n< ATOM 2399 O LYS A 153 9.314 32.973 -14.302 1.00 0.00 O \r\n< ATOM 2400 CB LYS A 153 9.277 33.314 -17.672 1.00 0.00 C \r\n< ATOM 2401 CG LYS A 153 9.799 32.920 -19.047 1.00 0.00 C \r\n< ATOM 2402 CD LYS A 153 8.839 33.351 -20.146 1.00 0.00 C \r\n< ATOM 2403 CE LYS A 153 9.336 32.918 -21.518 1.00 0.00 C \r\n< ATOM 2404 NZ LYS A 153 10.582 33.633 -21.908 1.00 0.00 N \r\n---\r\n> ATOM 2398 C LYS A 153 9.718 33.653 -15.234 1.00 0.00 C \r\n> ATOM 2399 O LYS A 153 9.297 32.969 -14.309 1.00 0.00 O \r\n> ATOM 2400 CB LYS A 153 9.287 33.314 -17.681 1.00 0.00 C \r\n> ATOM 2401 CG LYS A 153 9.820 32.918 -19.051 1.00 0.00 C \r\n> ATOM 2402 CD LYS A 153 8.870 33.347 -20.159 1.00 0.00 C \r\n> ATOM 2403 CE LYS A 153 9.381 32.914 -21.526 1.00 0.00 C \r\n> ATOM 2404 NZ LYS A 153 10.632 33.626 -21.903 1.00 0.00 N \r\n2422,2560c2422,2560\r\n< ATOM 2406 HA LYS A 153 11.198 33.501 -16.760 1.00 0.00 H \r\n< ATOM 2407 1HB LYS A 153 8.342 32.778 -17.503 1.00 0.00 H \r\n< ATOM 2408 2HB LYS A 153 9.044 34.379 -17.694 1.00 0.00 H \r\n< ATOM 2409 1HG LYS A 153 10.767 33.392 -19.218 1.00 0.00 H \r\n< ATOM 2410 2HG LYS A 153 9.928 31.839 -19.092 1.00 0.00 H \r\n< ATOM 2411 1HD LYS A 153 7.858 32.907 -19.968 1.00 0.00 H \r\n< ATOM 2412 2HD LYS A 153 8.734 34.436 -20.134 1.00 0.00 H \r\n< ATOM 2413 1HE LYS A 153 9.533 31.847 -21.512 1.00 0.00 H \r\n< ATOM 2414 2HE LYS A 153 8.568 33.120 -22.264 1.00 0.00 H \r\n< ATOM 2415 1HZ LYS A 153 10.878 33.319 -22.822 1.00 0.00 H \r\n< ATOM 2416 2HZ LYS A 153 10.406 34.628 -21.935 1.00 0.00 H \r\n< ATOM 2417 3HZ LYS A 153 11.308 33.438 -21.234 1.00 0.00 H \r\n< ATOM 2418 N ALA A 154 9.772 34.982 -15.114 1.00 0.00 N \r\n< ATOM 2419 CA ALA A 154 9.269 35.657 -13.941 1.00 0.00 C \r\n< ATOM 2420 C ALA A 154 7.923 35.057 -13.533 1.00 0.00 C \r\n< ATOM 2421 O ALA A 154 7.125 34.657 -14.381 1.00 0.00 O \r\n< ATOM 2422 CB ALA A 154 9.142 37.151 -14.199 1.00 0.00 C \r\n< ATOM 2423 H ALA A 154 10.164 35.530 -15.866 1.00 0.00 H \r\n< ATOM 2424 HA ALA A 154 9.981 35.520 -13.126 1.00 0.00 H \r\n< ATOM 2425 1HB ALA A 154 8.759 37.644 -13.305 1.00 0.00 H \r\n< ATOM 2426 2HB ALA A 154 10.121 37.562 -14.448 1.00 0.00 H \r\n< ATOM 2427 3HB ALA A 154 8.457 37.320 -15.028 1.00 0.00 H \r\n< ATOM 2428 N GLY A 155 7.632 34.948 -12.250 1.00 0.00 N \r\n< ATOM 2429 CA GLY A 155 6.408 34.306 -11.830 1.00 0.00 C \r\n< ATOM 2430 C GLY A 155 6.715 32.907 -11.310 1.00 0.00 C \r\n< ATOM 2431 O GLY A 155 5.860 32.026 -11.223 1.00 0.00 O \r\n< ATOM 2432 H GLY A 155 8.262 35.311 -11.550 1.00 0.00 H \r\n< ATOM 2433 1HA GLY A 155 5.947 34.901 -11.041 1.00 0.00 H \r\n< ATOM 2434 2HA GLY A 155 5.729 34.243 -12.679 1.00 0.00 H \r\n< ATOM 2435 N ALA A 156 7.985 32.646 -10.995 1.00 0.00 N \r\n< ATOM 2436 CA ALA A 156 8.409 31.367 -10.465 1.00 0.00 C \r\n< ATOM 2437 C ALA A 156 9.756 31.633 -9.815 1.00 0.00 C \r\n< ATOM 2438 O ALA A 156 10.406 32.626 -10.154 1.00 0.00 O \r\n< ATOM 2439 CB ALA A 156 8.502 30.303 -11.550 1.00 0.00 C \r\n< ATOM 2440 H ALA A 156 8.673 33.373 -11.134 1.00 0.00 H \r\n< ATOM 2441 HA ALA A 156 7.633 30.990 -9.799 1.00 0.00 H \r\n< ATOM 2442 1HB ALA A 156 8.871 29.373 -11.117 1.00 0.00 H \r\n< ATOM 2443 2HB ALA A 156 7.515 30.137 -11.982 1.00 0.00 H \r\n< ATOM 2444 3HB ALA A 156 9.187 30.637 -12.328 1.00 0.00 H \r\n< ATOM 2445 N SER A 157 10.230 30.702 -8.857 1.00 0.00 N \r\n< ATOM 2446 CA SER A 157 11.600 30.942 -8.379 1.00 0.00 C \r\n< ATOM 2447 C SER A 157 12.596 29.834 -8.694 1.00 0.00 C \r\n< ATOM 2448 O SER A 157 12.282 28.658 -8.889 1.00 0.00 O \r\n< ATOM 2449 CB SER A 157 11.576 31.160 -6.878 1.00 0.00 C \r\n< ATOM 2450 OG SER A 157 12.868 31.371 -6.380 1.00 0.00 O \r\n< ATOM 2451 H SER A 157 9.727 29.892 -8.525 1.00 0.00 H \r\n< ATOM 2452 HA SER A 157 12.018 31.890 -8.720 1.00 0.00 H \r\n< ATOM 2453 1HB SER A 157 10.948 32.020 -6.646 1.00 0.00 H \r\n< ATOM 2454 2HB SER A 157 11.133 30.291 -6.392 1.00 0.00 H \r\n< ATOM 2455 HG SER A 157 12.907 30.908 -5.540 1.00 0.00 H \r\n< ATOM 2456 N SER A 158 13.860 30.230 -8.780 1.00 0.00 N \r\n< ATOM 2457 CA SER A 158 14.946 29.291 -8.929 1.00 0.00 C \r\n< ATOM 2458 C SER A 158 15.499 28.752 -7.611 1.00 0.00 C \r\n< ATOM 2459 O SER A 158 16.425 27.934 -7.622 1.00 0.00 O \r\n< ATOM 2460 CB SER A 158 16.057 29.948 -9.725 1.00 0.00 C \r\n< ATOM 2461 OG SER A 158 15.633 30.328 -11.004 1.00 0.00 O \r\n< ATOM 2462 H SER A 158 14.065 31.218 -8.739 1.00 0.00 H \r\n< ATOM 2463 HA SER A 158 14.704 28.449 -9.579 1.00 0.00 H \r\n< ATOM 2464 1HB SER A 158 16.395 30.833 -9.185 1.00 0.00 H \r\n< ATOM 2465 2HB SER A 158 16.882 29.244 -9.819 1.00 0.00 H \r\n< ATOM 2466 HG SER A 158 15.068 29.645 -11.371 1.00 0.00 H \r\n< ATOM 2467 N SER A 159 15.027 29.225 -6.446 1.00 0.00 N \r\n< ATOM 2468 CA SER A 159 15.478 28.697 -5.169 1.00 0.00 C \r\n< ATOM 2469 C SER A 159 14.585 27.558 -4.803 1.00 0.00 C \r\n< ATOM 2470 O SER A 159 13.363 27.711 -4.753 1.00 0.00 O \r\n< ATOM 2471 CB SER A 159 15.462 29.764 -4.092 1.00 0.00 C \r\n< ATOM 2472 OG SER A 159 14.200 30.359 -3.958 1.00 0.00 O \r\n< ATOM 2473 H SER A 159 14.341 29.966 -6.458 1.00 0.00 H \r\n< ATOM 2474 HA SER A 159 16.556 28.538 -5.123 1.00 0.00 H \r\n< ATOM 2475 1HB SER A 159 15.738 29.304 -3.143 1.00 0.00 H \r\n< ATOM 2476 2HB SER A 159 16.191 30.531 -4.348 1.00 0.00 H \r\n< ATOM 2477 HG SER A 159 14.233 31.025 -3.267 1.00 0.00 H \r\n< ATOM 2478 N PRO A 160 15.210 26.440 -4.445 1.00 0.00 N \r\n< ATOM 2479 CA PRO A 160 14.526 25.265 -3.926 1.00 0.00 C \r\n< ATOM 2480 C PRO A 160 13.736 25.625 -2.654 1.00 0.00 C \r\n< ATOM 2481 O PRO A 160 12.820 24.899 -2.261 1.00 0.00 O \r\n< ATOM 2482 CB PRO A 160 15.659 24.262 -3.652 1.00 0.00 C \r\n< ATOM 2483 CG PRO A 160 16.749 24.634 -4.619 1.00 0.00 C \r\n< ATOM 2484 CD PRO A 160 16.669 26.136 -4.747 1.00 0.00 C \r\n< ATOM 2485 HA PRO A 160 13.875 24.924 -4.599 1.00 0.00 H \r\n< ATOM 2486 1HB PRO A 160 15.935 24.539 -2.825 1.00 0.00 H \r\n< ATOM 2487 2HB PRO A 160 15.300 23.525 -3.932 1.00 0.00 H \r\n< ATOM 2488 1HG PRO A 160 17.495 24.556 -4.226 1.00 0.00 H \r\n< ATOM 2489 2HG PRO A 160 16.461 24.387 -5.476 1.00 0.00 H \r\n< ATOM 2490 1HD PRO A 160 17.524 26.553 -4.789 1.00 0.00 H \r\n< ATOM 2491 2HD PRO A 160 16.042 26.087 -5.463 1.00 0.00 H \r\n< ATOM 2492 N CYS A 161 14.078 26.736 -1.967 1.00 0.00 N \r\n< ATOM 2493 CA CYS A 161 13.404 27.079 -0.728 1.00 0.00 C \r\n< ATOM 2494 C CYS A 161 12.140 27.899 -0.895 1.00 0.00 C \r\n< ATOM 2495 O CYS A 161 11.346 28.088 0.042 1.00 0.00 O \r\n< ATOM 2496 CB CYS A 161 14.470 27.906 -0.009 1.00 0.00 C \r\n< ATOM 2497 SG CYS A 161 14.492 29.657 -0.463 1.00 0.00 S \r\n< ATOM 2498 H CYS A 161 14.809 27.341 -2.313 1.00 0.00 H \r\n< ATOM 2499 HA CYS A 161 13.072 26.209 -0.160 1.00 0.00 H \r\n< ATOM 2500 1HB CYS A 161 14.308 27.875 1.069 1.00 0.00 H \r\n< ATOM 2501 2HB CYS A 161 15.463 27.522 -0.239 1.00 0.00 H \r\n< ATOM 2502 HG CYS A 161 15.499 29.995 0.336 1.00 0.00 H \r\n< ATOM 2503 N SER A 162 11.927 28.312 -2.151 1.00 0.00 N \r\n< ATOM 2504 CA SER A 162 10.722 29.075 -2.465 1.00 0.00 C \r\n< ATOM 2505 C SER A 162 9.477 28.196 -2.674 1.00 0.00 C \r\n< ATOM 2506 O SER A 162 9.560 27.056 -3.137 1.00 0.00 O \r\n< ATOM 2507 CB SER A 162 10.967 29.909 -3.707 1.00 0.00 C \r\n< ATOM 2508 OG SER A 162 9.788 30.536 -4.132 1.00 0.00 O \r\n< ATOM 2509 H SER A 162 12.586 28.107 -2.889 1.00 0.00 H \r\n< ATOM 2510 HA SER A 162 10.480 29.829 -1.714 1.00 0.00 H \r\n< ATOM 2511 1HB SER A 162 11.726 30.662 -3.496 1.00 0.00 H \r\n< ATOM 2512 2HB SER A 162 11.351 29.272 -4.503 1.00 0.00 H \r\n< ATOM 2513 HG SER A 162 9.966 31.479 -4.109 1.00 0.00 H \r\n< ATOM 2514 N GLU A 163 8.289 28.662 -2.267 1.00 0.00 N \r\n< ATOM 2515 CA GLU A 163 7.073 27.865 -2.366 1.00 0.00 C \r\n< ATOM 2516 C GLU A 163 6.565 27.894 -3.796 1.00 0.00 C \r\n< ATOM 2517 O GLU A 163 5.605 27.285 -4.230 1.00 0.00 O \r\n< ATOM 2518 CB GLU A 163 5.997 28.388 -1.411 1.00 0.00 C \r\n< ATOM 2519 CG GLU A 163 5.319 29.671 -1.870 1.00 0.00 C \r\n< ATOM 2520 CD GLU A 163 4.249 30.138 -0.923 1.00 0.00 C \r\n< ATOM 2521 OE1 GLU A 163 4.564 30.868 -0.014 1.00 0.00 O \r\n< ATOM 2522 OE2 GLU A 163 3.115 29.763 -1.109 1.00 0.00 O \r\n< ATOM 2523 H GLU A 163 8.236 29.593 -1.880 1.00 0.00 H \r\n< ATOM 2524 HA GLU A 163 7.282 26.834 -2.079 1.00 0.00 H \r\n< ATOM 2525 1HB GLU A 163 5.225 27.629 -1.282 1.00 0.00 H \r\n< ATOM 2526 2HB GLU A 163 6.439 28.575 -0.432 1.00 0.00 H \r\n< ATOM 2527 1HG GLU A 163 6.071 30.453 -1.965 1.00 0.00 H \r\n< ATOM 2528 2HG GLU A 163 4.881 29.506 -2.853 1.00 0.00 H \r\n< ATOM 2529 N THR A 164 7.327 28.602 -4.573 1.00 0.00 N \r\n< ATOM 2530 CA THR A 164 7.099 28.762 -5.986 1.00 0.00 C \r\n< ATOM 2531 C THR A 164 8.276 28.193 -6.771 1.00 0.00 C \r\n< ATOM 2532 O THR A 164 8.494 28.499 -7.935 1.00 0.00 O \r\n< ATOM 2533 CB THR A 164 6.881 30.242 -6.350 1.00 0.00 C \r\n< ATOM 2534 OG1 THR A 164 8.050 30.998 -6.007 1.00 0.00 O \r\n< ATOM 2535 CG2 THR A 164 5.682 30.805 -5.603 1.00 0.00 C \r\n< ATOM 2536 H THR A 164 8.120 29.060 -4.149 1.00 0.00 H \r\n< ATOM 2537 HA THR A 164 6.224 28.185 -6.286 1.00 0.00 H \r\n< ATOM 2538 HB THR A 164 6.709 30.332 -7.422 1.00 0.00 H \r\n< ATOM 2539 HG1 THR A 164 8.568 30.511 -5.362 1.00 0.00 H \r\n< ATOM 2540 1HG2 THR A 164 5.543 31.851 -5.872 1.00 0.00 H \r\n< ATOM 2541 2HG2 THR A 164 4.789 30.239 -5.870 1.00 0.00 H \r\n< ATOM 2542 3HG2 THR A 164 5.852 30.727 -4.530 1.00 0.00 H \r\n< ATOM 2543 N TYR A 165 9.170 27.442 -6.161 1.00 0.00 N \r\n< ATOM 2544 CA TYR A 165 10.285 26.862 -6.913 1.00 0.00 C \r\n---\r\n> ATOM 2406 HA LYS A 153 11.200 33.502 -16.750 1.00 0.00 H \r\n> ATOM 2407 1HB LYS A 153 8.351 32.780 -17.519 1.00 0.00 H \r\n> ATOM 2408 2HB LYS A 153 9.057 34.379 -17.707 1.00 0.00 H \r\n> ATOM 2409 1HG LYS A 153 10.791 33.388 -19.214 1.00 0.00 H \r\n> ATOM 2410 2HG LYS A 153 9.949 31.836 -19.092 1.00 0.00 H \r\n> ATOM 2411 1HD LYS A 153 7.889 32.902 -19.989 1.00 0.00 H \r\n> ATOM 2412 2HD LYS A 153 8.765 34.431 -20.148 1.00 0.00 H \r\n> ATOM 2413 1HE LYS A 153 9.575 31.843 -21.519 1.00 0.00 H \r\n> ATOM 2414 2HE LYS A 153 8.620 33.118 -22.279 1.00 0.00 H \r\n> ATOM 2415 1HZ LYS A 153 10.936 33.312 -22.814 1.00 0.00 H \r\n> ATOM 2416 2HZ LYS A 153 10.458 34.621 -21.931 1.00 0.00 H \r\n> ATOM 2417 3HZ LYS A 153 11.351 33.429 -21.222 1.00 0.00 H \r\n> ATOM 2418 N ALA A 154 9.752 34.980 -15.119 1.00 0.00 N \r\n> ATOM 2419 CA ALA A 154 9.262 35.651 -13.937 1.00 0.00 C \r\n> ATOM 2420 C ALA A 154 7.916 35.056 -13.522 1.00 0.00 C \r\n> ATOM 2421 O ALA A 154 7.099 34.688 -14.365 1.00 0.00 O \r\n> ATOM 2422 CB ALA A 154 9.141 37.147 -14.186 1.00 0.00 C \r\n> ATOM 2423 H ALA A 154 10.130 35.531 -15.876 1.00 0.00 H \r\n> ATOM 2424 HA ALA A 154 9.980 35.506 -13.129 1.00 0.00 H \r\n> ATOM 2425 1HB ALA A 154 8.768 37.637 -13.287 1.00 0.00 H \r\n> ATOM 2426 2HB ALA A 154 10.120 37.554 -14.441 1.00 0.00 H \r\n> ATOM 2427 3HB ALA A 154 8.450 37.324 -15.008 1.00 0.00 H \r\n> ATOM 2428 N GLY A 155 7.646 34.916 -12.237 1.00 0.00 N \r\n> ATOM 2429 CA GLY A 155 6.413 34.296 -11.813 1.00 0.00 C \r\n> ATOM 2430 C GLY A 155 6.716 32.974 -11.118 1.00 0.00 C \r\n> ATOM 2431 O GLY A 155 5.841 32.267 -10.619 1.00 0.00 O \r\n> ATOM 2432 H GLY A 155 8.299 35.241 -11.539 1.00 0.00 H \r\n> ATOM 2433 1HA GLY A 155 5.896 34.965 -11.124 1.00 0.00 H \r\n> ATOM 2434 2HA GLY A 155 5.785 34.119 -12.684 1.00 0.00 H \r\n> ATOM 2435 N ALA A 156 7.989 32.572 -11.117 1.00 0.00 N \r\n> ATOM 2436 CA ALA A 156 8.418 31.348 -10.473 1.00 0.00 C \r\n> ATOM 2437 C ALA A 156 9.798 31.653 -9.917 1.00 0.00 C \r\n> ATOM 2438 O ALA A 156 10.429 32.617 -10.362 1.00 0.00 O \r\n> ATOM 2439 CB ALA A 156 8.442 30.173 -11.440 1.00 0.00 C \r\n> ATOM 2440 H ALA A 156 8.674 33.148 -11.585 1.00 0.00 H \r\n> ATOM 2441 HA ALA A 156 7.669 31.060 -9.736 1.00 0.00 H \r\n> ATOM 2442 1HB ALA A 156 8.816 29.287 -10.928 1.00 0.00 H \r\n> ATOM 2443 2HB ALA A 156 7.433 29.982 -11.806 1.00 0.00 H \r\n> ATOM 2444 3HB ALA A 156 9.093 30.408 -12.281 1.00 0.00 H \r\n> ATOM 2445 N SER A 157 10.266 30.833 -8.979 1.00 0.00 N \r\n> ATOM 2446 CA SER A 157 11.597 30.986 -8.369 1.00 0.00 C \r\n> ATOM 2447 C SER A 157 12.580 29.865 -8.679 1.00 0.00 C \r\n> ATOM 2448 O SER A 157 12.253 28.690 -8.863 1.00 0.00 O \r\n> ATOM 2449 CB SER A 157 11.448 31.098 -6.864 1.00 0.00 C \r\n> ATOM 2450 OG SER A 157 12.697 31.234 -6.245 1.00 0.00 O \r\n> ATOM 2451 H SER A 157 9.672 30.074 -8.680 1.00 0.00 H \r\n> ATOM 2452 HA SER A 157 12.074 31.939 -8.604 1.00 0.00 H \r\n> ATOM 2453 1HB SER A 157 10.824 31.959 -6.624 1.00 0.00 H \r\n> ATOM 2454 2HB SER A 157 10.944 30.212 -6.482 1.00 0.00 H \r\n> ATOM 2455 HG SER A 157 12.551 31.056 -5.313 1.00 0.00 H \r\n> ATOM 2456 N SER A 158 13.847 30.246 -8.773 1.00 0.00 N \r\n> ATOM 2457 CA SER A 158 14.922 29.296 -8.930 1.00 0.00 C \r\n> ATOM 2458 C SER A 158 15.477 28.749 -7.616 1.00 0.00 C \r\n> ATOM 2459 O SER A 158 16.394 27.920 -7.635 1.00 0.00 O \r\n> ATOM 2460 CB SER A 158 16.035 29.941 -9.733 1.00 0.00 C \r\n> ATOM 2461 OG SER A 158 15.607 30.328 -11.009 1.00 0.00 O \r\n> ATOM 2462 H SER A 158 14.064 31.232 -8.733 1.00 0.00 H \r\n> ATOM 2463 HA SER A 158 14.666 28.458 -9.579 1.00 0.00 H \r\n> ATOM 2464 1HB SER A 158 16.387 30.821 -9.194 1.00 0.00 H \r\n> ATOM 2465 2HB SER A 158 16.852 29.228 -9.834 1.00 0.00 H \r\n> ATOM 2466 HG SER A 158 15.032 29.651 -11.373 1.00 0.00 H \r\n> ATOM 2467 N SER A 159 15.018 29.226 -6.448 1.00 0.00 N \r\n> ATOM 2468 CA SER A 159 15.472 28.692 -5.174 1.00 0.00 C \r\n> ATOM 2469 C SER A 159 14.570 27.563 -4.803 1.00 0.00 C \r\n> ATOM 2470 O SER A 159 13.349 27.729 -4.745 1.00 0.00 O \r\n> ATOM 2471 CB SER A 159 15.475 29.757 -4.096 1.00 0.00 C \r\n> ATOM 2472 OG SER A 159 14.221 30.366 -3.953 1.00 0.00 O \r\n> ATOM 2473 H SER A 159 14.341 29.975 -6.454 1.00 0.00 H \r\n> ATOM 2474 HA SER A 159 16.549 28.520 -5.136 1.00 0.00 H \r\n> ATOM 2475 1HB SER A 159 15.753 29.293 -3.149 1.00 0.00 H \r\n> ATOM 2476 2HB SER A 159 16.211 30.516 -4.356 1.00 0.00 H \r\n> ATOM 2477 HG SER A 159 14.266 31.031 -3.261 1.00 0.00 H \r\n> ATOM 2478 N PRO A 160 15.184 26.437 -4.451 1.00 0.00 N \r\n> ATOM 2479 CA PRO A 160 14.490 25.269 -3.929 1.00 0.00 C \r\n> ATOM 2480 C PRO A 160 13.713 25.637 -2.651 1.00 0.00 C \r\n> ATOM 2481 O PRO A 160 12.791 24.920 -2.253 1.00 0.00 O \r\n> ATOM 2482 CB PRO A 160 15.614 24.253 -3.663 1.00 0.00 C \r\n> ATOM 2483 CG PRO A 160 16.702 24.614 -4.637 1.00 0.00 C \r\n> ATOM 2484 CD PRO A 160 16.637 26.116 -4.763 1.00 0.00 C \r\n> ATOM 2485 HA PRO A 160 13.832 24.936 -4.597 1.00 0.00 H \r\n> ATOM 2486 1HB PRO A 160 15.899 24.526 -2.838 1.00 0.00 H \r\n> ATOM 2487 2HB PRO A 160 15.245 23.520 -3.942 1.00 0.00 H \r\n> ATOM 2488 1HG PRO A 160 17.449 24.527 -4.249 1.00 0.00 H \r\n> ATOM 2489 2HG PRO A 160 16.405 24.371 -5.493 1.00 0.00 H \r\n> ATOM 2490 1HD PRO A 160 17.497 26.525 -4.810 1.00 0.00 H \r\n> ATOM 2491 2HD PRO A 160 16.006 26.076 -5.474 1.00 0.00 H \r\n> ATOM 2492 N CYS A 161 14.072 26.743 -1.965 1.00 0.00 N \r\n> ATOM 2493 CA CYS A 161 13.410 27.092 -0.721 1.00 0.00 C \r\n> ATOM 2494 C CYS A 161 12.155 27.925 -0.879 1.00 0.00 C \r\n> ATOM 2495 O CYS A 161 11.369 28.122 0.064 1.00 0.00 O \r\n> ATOM 2496 CB CYS A 161 14.490 27.906 -0.008 1.00 0.00 C \r\n> ATOM 2497 SG CYS A 161 14.529 29.657 -0.461 1.00 0.00 S \r\n> ATOM 2498 H CYS A 161 14.808 27.340 -2.316 1.00 0.00 H \r\n> ATOM 2499 HA CYS A 161 13.072 26.225 -0.152 1.00 0.00 H \r\n> ATOM 2500 1HB CYS A 161 14.335 27.876 1.071 1.00 0.00 H \r\n> ATOM 2501 2HB CYS A 161 15.477 27.511 -0.246 1.00 0.00 H \r\n> ATOM 2502 HG CYS A 161 15.544 29.983 0.332 1.00 0.00 H \r\n> ATOM 2503 N SER A 162 11.928 28.339 -2.161 1.00 0.00 N \r\n> ATOM 2504 CA SER A 162 10.696 29.088 -2.398 1.00 0.00 C \r\n> ATOM 2505 C SER A 162 9.465 28.190 -2.616 1.00 0.00 C \r\n> ATOM 2506 O SER A 162 9.567 27.055 -3.086 1.00 0.00 O \r\n> ATOM 2507 CB SER A 162 10.882 29.990 -3.602 1.00 0.00 C \r\n> ATOM 2508 OG SER A 162 11.884 30.941 -3.366 1.00 0.00 O \r\n> ATOM 2509 H SER A 162 12.495 28.063 -2.949 1.00 0.00 H \r\n> ATOM 2510 HA SER A 162 10.460 29.795 -1.602 1.00 0.00 H \r\n> ATOM 2511 1HB SER A 162 11.146 29.388 -4.471 1.00 0.00 H \r\n> ATOM 2512 2HB SER A 162 9.944 30.495 -3.826 1.00 0.00 H \r\n> ATOM 2513 HG SER A 162 12.230 31.181 -4.229 1.00 0.00 H \r\n> ATOM 2514 N GLU A 163 8.269 28.633 -2.207 1.00 0.00 N \r\n> ATOM 2515 CA GLU A 163 7.060 27.833 -2.350 1.00 0.00 C \r\n> ATOM 2516 C GLU A 163 6.551 27.939 -3.776 1.00 0.00 C \r\n> ATOM 2517 O GLU A 163 5.540 27.425 -4.218 1.00 0.00 O \r\n> ATOM 2518 CB GLU A 163 5.981 28.292 -1.367 1.00 0.00 C \r\n> ATOM 2519 CG GLU A 163 5.318 29.613 -1.733 1.00 0.00 C \r\n> ATOM 2520 CD GLU A 163 4.241 30.015 -0.764 1.00 0.00 C \r\n> ATOM 2521 OE1 GLU A 163 4.562 30.599 0.243 1.00 0.00 O \r\n> ATOM 2522 OE2 GLU A 163 3.095 29.738 -1.031 1.00 0.00 O \r\n> ATOM 2523 H GLU A 163 8.206 29.549 -1.787 1.00 0.00 H \r\n> ATOM 2524 HA GLU A 163 7.277 26.789 -2.122 1.00 0.00 H \r\n> ATOM 2525 1HB GLU A 163 5.201 27.533 -1.302 1.00 0.00 H \r\n> ATOM 2526 2HB GLU A 163 6.416 28.401 -0.373 1.00 0.00 H \r\n> ATOM 2527 1HG GLU A 163 6.077 30.394 -1.759 1.00 0.00 H \r\n> ATOM 2528 2HG GLU A 163 4.889 29.528 -2.730 1.00 0.00 H \r\n> ATOM 2529 N THR A 164 7.367 28.597 -4.542 1.00 0.00 N \r\n> ATOM 2530 CA THR A 164 7.152 28.802 -5.951 1.00 0.00 C \r\n> ATOM 2531 C THR A 164 8.317 28.222 -6.745 1.00 0.00 C \r\n> ATOM 2532 O THR A 164 8.547 28.549 -7.901 1.00 0.00 O \r\n> ATOM 2533 CB THR A 164 6.978 30.298 -6.274 1.00 0.00 C \r\n> ATOM 2534 OG1 THR A 164 8.162 31.012 -5.897 1.00 0.00 O \r\n> ATOM 2535 CG2 THR A 164 5.785 30.870 -5.525 1.00 0.00 C \r\n> ATOM 2536 H THR A 164 8.195 28.981 -4.110 1.00 0.00 H \r\n> ATOM 2537 HA THR A 164 6.263 28.259 -6.271 1.00 0.00 H \r\n> ATOM 2538 HB THR A 164 6.821 30.422 -7.346 1.00 0.00 H \r\n> ATOM 2539 HG1 THR A 164 8.180 31.860 -6.347 1.00 0.00 H \r\n> ATOM 2540 1HG2 THR A 164 5.677 31.928 -5.766 1.00 0.00 H \r\n> ATOM 2541 2HG2 THR A 164 4.881 30.337 -5.818 1.00 0.00 H \r\n> ATOM 2542 3HG2 THR A 164 5.940 30.757 -4.453 1.00 0.00 H \r\n> ATOM 2543 N TYR A 165 9.190 27.435 -6.150 1.00 0.00 N \r\n> ATOM 2544 CA TYR A 165 10.296 26.851 -6.910 1.00 0.00 C \r\n2562,2579c2562,2579\r\n< ATOM 2546 O TYR A 165 9.022 25.167 -8.101 1.00 0.00 O \r\n< ATOM 2547 CB TYR A 165 11.098 25.940 -6.002 1.00 0.00 C \r\n< ATOM 2548 CG TYR A 165 12.270 25.279 -6.693 1.00 0.00 C \r\n< ATOM 2549 CD1 TYR A 165 13.178 26.047 -7.406 1.00 0.00 C \r\n< ATOM 2550 CD2 TYR A 165 12.436 23.904 -6.613 1.00 0.00 C \r\n< ATOM 2551 CE1 TYR A 165 14.249 25.443 -8.037 1.00 0.00 C \r\n< ATOM 2552 CE2 TYR A 165 13.507 23.300 -7.244 1.00 0.00 C \r\n< ATOM 2553 CZ TYR A 165 14.410 24.065 -7.954 1.00 0.00 C \r\n< ATOM 2554 OH TYR A 165 15.477 23.464 -8.582 1.00 0.00 O \r\n< ATOM 2555 H TYR A 165 9.097 27.258 -5.171 1.00 0.00 H \r\n< ATOM 2556 HA TYR A 165 10.928 27.656 -7.291 1.00 0.00 H \r\n< ATOM 2557 1HB TYR A 165 11.480 26.509 -5.154 1.00 0.00 H \r\n< ATOM 2558 2HB TYR A 165 10.451 25.157 -5.606 1.00 0.00 H \r\n< ATOM 2559 HD1 TYR A 165 13.047 27.128 -7.469 1.00 0.00 H \r\n< ATOM 2560 HD2 TYR A 165 11.722 23.300 -6.054 1.00 0.00 H \r\n< ATOM 2561 HE1 TYR A 165 14.962 26.047 -8.597 1.00 0.00 H \r\n< ATOM 2562 HE2 TYR A 165 13.637 22.220 -7.182 1.00 0.00 H \r\n< ATOM 2563 HH TYR A 165 15.988 24.129 -9.049 1.00 0.00 H \r\n---\r\n> ATOM 2546 O TYR A 165 9.012 25.175 -8.104 1.00 0.00 O \r\n> ATOM 2547 CB TYR A 165 11.106 25.916 -6.009 1.00 0.00 C \r\n> ATOM 2548 CG TYR A 165 12.273 25.254 -6.707 1.00 0.00 C \r\n> ATOM 2549 CD1 TYR A 165 13.177 26.021 -7.427 1.00 0.00 C \r\n> ATOM 2550 CD2 TYR A 165 12.438 23.879 -6.629 1.00 0.00 C \r\n> ATOM 2551 CE1 TYR A 165 14.242 25.416 -8.065 1.00 0.00 C \r\n> ATOM 2552 CE2 TYR A 165 13.504 23.274 -7.267 1.00 0.00 C \r\n> ATOM 2553 CZ TYR A 165 14.403 24.037 -7.982 1.00 0.00 C \r\n> ATOM 2554 OH TYR A 165 15.464 23.435 -8.618 1.00 0.00 O \r\n> ATOM 2555 H TYR A 165 9.106 27.227 -5.166 1.00 0.00 H \r\n> ATOM 2556 HA TYR A 165 10.945 27.642 -7.287 1.00 0.00 H \r\n> ATOM 2557 1HB TYR A 165 11.493 26.477 -5.157 1.00 0.00 H \r\n> ATOM 2558 2HB TYR A 165 10.455 25.135 -5.618 1.00 0.00 H \r\n> ATOM 2559 HD1 TYR A 165 13.047 27.102 -7.489 1.00 0.00 H \r\n> ATOM 2560 HD2 TYR A 165 11.727 23.276 -6.064 1.00 0.00 H \r\n> ATOM 2561 HE1 TYR A 165 14.953 26.019 -8.630 1.00 0.00 H \r\n> ATOM 2562 HE2 TYR A 165 13.633 22.193 -7.205 1.00 0.00 H \r\n> ATOM 2563 HH TYR A 165 15.982 24.101 -9.076 1.00 0.00 H \r\n3057,3064c3057,3064\r\n< ATOM 3041 C HIS A 196 -8.119 26.277 -5.447 1.00 0.00 C \r\n< ATOM 3042 O HIS A 196 -9.341 26.367 -5.541 1.00 0.00 O \r\n< ATOM 3043 CB HIS A 196 -6.162 26.491 -7.037 1.00 0.00 C \r\n< ATOM 3044 CG HIS A 196 -5.254 25.848 -8.040 1.00 0.00 C \r\n< ATOM 3045 ND1 HIS A 196 -3.887 25.780 -7.869 1.00 0.00 N \r\n< ATOM 3046 CD2 HIS A 196 -5.517 25.245 -9.223 1.00 0.00 C \r\n< ATOM 3047 CE1 HIS A 196 -3.348 25.162 -8.906 1.00 0.00 C \r\n< ATOM 3048 NE2 HIS A 196 -4.315 24.827 -9.740 1.00 0.00 N \r\n---\r\n> ATOM 3041 C HIS A 196 -8.113 26.313 -5.467 1.00 0.00 C \r\n> ATOM 3042 O HIS A 196 -9.282 26.628 -5.677 1.00 0.00 O \r\n> ATOM 3043 CB HIS A 196 -6.137 26.458 -7.043 1.00 0.00 C \r\n> ATOM 3044 CG HIS A 196 -5.262 25.793 -8.059 1.00 0.00 C \r\n> ATOM 3045 ND1 HIS A 196 -3.895 25.692 -7.911 1.00 0.00 N \r\n> ATOM 3046 CD2 HIS A 196 -5.558 25.196 -9.237 1.00 0.00 C \r\n> ATOM 3047 CE1 HIS A 196 -3.388 25.060 -8.956 1.00 0.00 C \r\n> ATOM 3048 NE2 HIS A 196 -4.376 24.749 -9.774 1.00 0.00 N \r\n3066,3286c3066,3286\r\n< ATOM 3050 HA HIS A 196 -6.757 24.702 -6.074 1.00 0.00 H \r\n< ATOM 3051 1HB HIS A 196 -6.615 27.367 -7.501 1.00 0.00 H \r\n< ATOM 3052 2HB HIS A 196 -5.555 26.839 -6.202 1.00 0.00 H \r\n< ATOM 3053 HD2 HIS A 196 -6.498 25.115 -9.679 1.00 0.00 H \r\n< ATOM 3054 HE1 HIS A 196 -2.286 24.961 -9.047 1.00 0.00 H \r\n< ATOM 3055 HE2 HIS A 196 -4.197 24.343 -10.619 1.00 0.00 H \r\n< ATOM 3056 N SER A 197 -7.810 26.581 -4.421 1.00 0.00 N \r\n< ATOM 3057 CA SER A 197 -8.261 27.620 -3.513 1.00 0.00 C \r\n< ATOM 3058 C SER A 197 -7.054 28.462 -3.069 1.00 0.00 C \r\n< ATOM 3059 O SER A 197 -5.911 28.073 -3.275 1.00 0.00 O \r\n< ATOM 3060 CB SER A 197 -8.956 27.008 -2.312 1.00 0.00 C \r\n< ATOM 3061 OG SER A 197 -8.032 26.394 -1.456 1.00 0.00 O \r\n< ATOM 3062 H SER A 197 -6.902 26.164 -4.279 1.00 0.00 H \r\n< ATOM 3063 HA SER A 197 -9.059 28.239 -3.926 1.00 0.00 H \r\n< ATOM 3064 1HB SER A 197 -9.498 27.784 -1.771 1.00 0.00 H \r\n< ATOM 3065 2HB SER A 197 -9.686 26.274 -2.649 1.00 0.00 H \r\n< ATOM 3066 HG SER A 197 -7.192 26.830 -1.617 1.00 0.00 H \r\n< ATOM 3067 N TYR A 198 -7.125 29.657 -2.502 1.00 0.00 N \r\n< ATOM 3068 CA TYR A 198 -8.392 30.310 -2.242 1.00 0.00 C \r\n< ATOM 3069 C TYR A 198 -8.346 31.670 -2.904 1.00 0.00 C \r\n< ATOM 3070 O TYR A 198 -7.264 32.170 -3.195 1.00 0.00 O \r\n< ATOM 3071 CB TYR A 198 -8.664 30.434 -0.741 1.00 0.00 C \r\n< ATOM 3072 CG TYR A 198 -7.644 31.274 -0.003 1.00 0.00 C \r\n< ATOM 3073 CD1 TYR A 198 -7.840 32.641 0.134 1.00 0.00 C \r\n< ATOM 3074 CD2 TYR A 198 -6.513 30.678 0.535 1.00 0.00 C \r\n< ATOM 3075 CE1 TYR A 198 -6.909 33.408 0.807 1.00 0.00 C \r\n< ATOM 3076 CE2 TYR A 198 -5.582 31.445 1.208 1.00 0.00 C \r\n< ATOM 3077 CZ TYR A 198 -5.777 32.804 1.345 1.00 0.00 C \r\n< ATOM 3078 OH TYR A 198 -4.850 33.568 2.015 1.00 0.00 O \r\n< ATOM 3079 H TYR A 198 -6.268 30.125 -2.243 1.00 0.00 H \r\n< ATOM 3080 HA TYR A 198 -9.207 29.717 -2.658 1.00 0.00 H \r\n< ATOM 3081 1HB TYR A 198 -9.648 30.878 -0.584 1.00 0.00 H \r\n< ATOM 3082 2HB TYR A 198 -8.677 29.442 -0.290 1.00 0.00 H \r\n< ATOM 3083 HD1 TYR A 198 -8.728 33.109 -0.289 1.00 0.00 H \r\n< ATOM 3084 HD2 TYR A 198 -6.359 29.604 0.426 1.00 0.00 H \r\n< ATOM 3085 HE1 TYR A 198 -7.062 34.481 0.915 1.00 0.00 H \r\n< ATOM 3086 HE2 TYR A 198 -4.693 30.976 1.631 1.00 0.00 H \r\n< ATOM 3087 HH TYR A 198 -5.128 34.487 2.008 1.00 0.00 H \r\n< ATOM 3088 N SER A 199 -9.533 32.242 -3.165 1.00 0.00 N \r\n< ATOM 3089 CA SER A 199 -9.706 33.628 -3.520 1.00 0.00 C \r\n< ATOM 3090 C SER A 199 -10.977 33.908 -4.251 1.00 0.00 C \r\n< ATOM 3091 O SER A 199 -11.279 35.077 -4.426 1.00 0.00 O \r\n< ATOM 3092 CB SER A 199 -8.535 34.085 -4.369 1.00 0.00 C \r\n< ATOM 3093 OG SER A 199 -7.401 34.314 -3.579 1.00 0.00 O \r\n< ATOM 3094 H SER A 199 -10.346 31.645 -3.104 1.00 0.00 H \r\n< ATOM 3095 HA SER A 199 -9.625 34.305 -2.669 1.00 0.00 H \r\n< ATOM 3096 1HB SER A 199 -8.313 33.326 -5.119 1.00 0.00 H \r\n< ATOM 3097 2HB SER A 199 -8.805 34.998 -4.897 1.00 0.00 H \r\n< ATOM 3098 HG SER A 199 -6.787 33.605 -3.786 1.00 0.00 H \r\n< ATOM 3099 N GLN A 200 -11.744 32.895 -4.640 1.00 0.00 N \r\n< ATOM 3100 CA GLN A 200 -12.964 33.069 -5.424 1.00 0.00 C \r\n< ATOM 3101 C GLN A 200 -12.766 33.801 -6.730 1.00 0.00 C \r\n< ATOM 3102 O GLN A 200 -13.282 34.892 -6.962 1.00 0.00 O \r\n< ATOM 3103 CB GLN A 200 -14.033 33.807 -4.587 1.00 0.00 C \r\n< ATOM 3104 CG GLN A 200 -14.433 33.028 -3.312 1.00 0.00 C \r\n< ATOM 3105 CD GLN A 200 -15.409 33.776 -2.396 1.00 0.00 C \r\n< ATOM 3106 OE1 GLN A 200 -15.484 33.465 -1.221 1.00 0.00 O \r\n< ATOM 3107 NE2 GLN A 200 -16.203 34.763 -2.811 1.00 0.00 N \r\n< ATOM 3108 H GLN A 200 -11.459 31.963 -4.373 1.00 0.00 H \r\n< ATOM 3109 HA GLN A 200 -13.348 32.094 -5.723 1.00 0.00 H \r\n< ATOM 3110 1HB GLN A 200 -13.614 34.779 -4.326 1.00 0.00 H \r\n< ATOM 3111 2HB GLN A 200 -14.898 33.948 -5.236 1.00 0.00 H \r\n< ATOM 3112 1HG GLN A 200 -14.764 31.990 -3.334 1.00 0.00 H \r\n< ATOM 3113 2HG GLN A 200 -13.441 33.082 -2.862 1.00 0.00 H \r\n< ATOM 3114 1HE2 GLN A 200 -16.820 35.213 -2.166 1.00 0.00 H \r\n< ATOM 3115 2HE2 GLN A 200 -16.181 35.053 -3.768 1.00 0.00 H \r\n< ATOM 3116 N LEU A 201 -11.987 33.173 -7.617 1.00 0.00 N \r\n< ATOM 3117 CA LEU A 201 -11.616 33.747 -8.903 1.00 0.00 C \r\n< ATOM 3118 C LEU A 201 -11.753 32.693 -9.990 1.00 0.00 C \r\n< ATOM 3119 O LEU A 201 -11.489 31.523 -9.699 1.00 0.00 O \r\n< ATOM 3120 CB LEU A 201 -10.178 34.279 -8.865 1.00 0.00 C \r\n< ATOM 3121 CG LEU A 201 -9.860 35.255 -7.725 1.00 0.00 C \r\n< ATOM 3122 CD1 LEU A 201 -8.353 35.444 -7.623 1.00 0.00 C \r\n< ATOM 3123 CD2 LEU A 201 -10.562 36.580 -7.980 1.00 0.00 C \r\n< ATOM 3124 H LEU A 201 -11.644 32.256 -7.371 1.00 0.00 H \r\n< ATOM 3125 HA LEU A 201 -12.240 34.616 -9.110 1.00 0.00 H \r\n< ATOM 3126 1HB LEU A 201 -9.497 33.434 -8.778 1.00 0.00 H \r\n< ATOM 3127 2HB LEU A 201 -9.972 34.790 -9.806 1.00 0.00 H \r\n< ATOM 3128 HG LEU A 201 -10.208 34.836 -6.780 1.00 0.00 H \r\n< ATOM 3129 1HD1 LEU A 201 -8.127 36.137 -6.812 1.00 0.00 H \r\n< ATOM 3130 2HD1 LEU A 201 -7.878 34.483 -7.421 1.00 0.00 H \r\n< ATOM 3131 3HD1 LEU A 201 -7.973 35.847 -8.561 1.00 0.00 H \r\n< ATOM 3132 1HD2 LEU A 201 -10.336 37.274 -7.169 1.00 0.00 H \r\n< ATOM 3133 2HD2 LEU A 201 -10.213 37.001 -8.924 1.00 0.00 H \r\n< ATOM 3134 3HD2 LEU A 201 -11.638 36.419 -8.030 1.00 0.00 H \r\n< ATOM 3135 N LEU A 202 -12.206 33.063 -11.200 1.00 0.00 N \r\n< ATOM 3136 CA LEU A 202 -12.147 32.172 -12.359 1.00 0.00 C \r\n< ATOM 3137 C LEU A 202 -11.079 32.756 -13.328 1.00 0.00 C \r\n< ATOM 3138 O LEU A 202 -11.178 33.833 -13.925 1.00 0.00 O \r\n< ATOM 3139 CB LEU A 202 -13.520 32.052 -13.032 1.00 0.00 C \r\n< ATOM 3140 CG LEU A 202 -13.563 31.148 -14.271 1.00 0.00 C \r\n< ATOM 3141 CD1 LEU A 202 -13.012 29.770 -13.931 1.00 0.00 C \r\n< ATOM 3142 CD2 LEU A 202 -14.993 31.048 -14.778 1.00 0.00 C \r\n< ATOM 3143 H LEU A 202 -12.599 33.987 -11.310 1.00 0.00 H \r\n< ATOM 3144 HA LEU A 202 -11.896 31.163 -12.031 1.00 0.00 H \r\n< ATOM 3145 1HB LEU A 202 -14.077 31.594 -12.216 1.00 0.00 H \r\n< ATOM 3146 2HB LEU A 202 -13.946 33.029 -13.258 1.00 0.00 H \r\n< ATOM 3147 HG LEU A 202 -12.968 31.633 -15.045 1.00 0.00 H \r\n< ATOM 3148 1HD1 LEU A 202 -13.047 29.135 -14.818 1.00 0.00 H \r\n< ATOM 3149 2HD1 LEU A 202 -11.981 29.863 -13.593 1.00 0.00 H \r\n< ATOM 3150 3HD1 LEU A 202 -13.615 29.322 -13.142 1.00 0.00 H \r\n< ATOM 3151 1HD2 LEU A 202 -15.022 30.406 -15.660 1.00 0.00 H \r\n< ATOM 3152 2HD2 LEU A 202 -15.628 30.623 -13.999 1.00 0.00 H \r\n< ATOM 3153 3HD2 LEU A 202 -15.358 32.041 -15.042 1.00 0.00 H \r\n< ATOM 3154 N LEU A 203 -10.036 31.980 -13.566 1.00 0.00 N \r\n< ATOM 3155 CA LEU A 203 -8.872 32.455 -14.265 1.00 0.00 C \r\n< ATOM 3156 C LEU A 203 -8.708 31.794 -15.615 1.00 0.00 C \r\n< ATOM 3157 O LEU A 203 -9.011 30.614 -15.777 1.00 0.00 O \r\n< ATOM 3158 CB LEU A 203 -7.619 32.210 -13.416 1.00 0.00 C \r\n< ATOM 3159 CG LEU A 203 -7.709 32.660 -11.952 1.00 0.00 C \r\n< ATOM 3160 CD1 LEU A 203 -6.487 32.164 -11.191 1.00 0.00 C \r\n< ATOM 3161 CD2 LEU A 203 -7.812 34.177 -11.893 1.00 0.00 C \r\n< ATOM 3162 H LEU A 203 -10.059 31.023 -13.245 1.00 0.00 H \r\n< ATOM 3163 HA LEU A 203 -8.972 33.523 -14.456 1.00 0.00 H \r\n< ATOM 3164 1HB LEU A 203 -7.399 31.144 -13.421 1.00 0.00 H \r\n< ATOM 3165 2HB LEU A 203 -6.781 32.735 -13.873 1.00 0.00 H \r\n< ATOM 3166 HG LEU A 203 -8.592 32.219 -11.489 1.00 0.00 H \r\n< ATOM 3167 1HD1 LEU A 203 -6.551 32.484 -10.151 1.00 0.00 H \r\n< ATOM 3168 2HD1 LEU A 203 -6.449 31.076 -11.234 1.00 0.00 H \r\n< ATOM 3169 3HD1 LEU A 203 -5.585 32.577 -11.643 1.00 0.00 H \r\n< ATOM 3170 1HD2 LEU A 203 -7.876 34.497 -10.852 1.00 0.00 H \r\n< ATOM 3171 2HD2 LEU A 203 -6.929 34.620 -12.354 1.00 0.00 H \r\n< ATOM 3172 3HD2 LEU A 203 -8.703 34.503 -12.429 1.00 0.00 H \r\n< ATOM 3173 N TYR A 204 -8.221 32.530 -16.617 1.00 0.00 N \r\n< ATOM 3174 CA TYR A 204 -7.862 31.880 -17.857 1.00 0.00 C \r\n< ATOM 3175 C TYR A 204 -6.470 32.396 -18.261 1.00 0.00 C \r\n< ATOM 3176 O TYR A 204 -5.954 33.328 -17.625 1.00 0.00 O \r\n< ATOM 3177 CB TYR A 204 -8.948 32.187 -18.949 1.00 0.00 C \r\n< ATOM 3178 CG TYR A 204 -9.257 33.652 -19.226 1.00 0.00 C \r\n< ATOM 3179 CD1 TYR A 204 -8.490 34.409 -20.113 1.00 0.00 C \r\n< ATOM 3180 CD2 TYR A 204 -10.336 34.217 -18.569 1.00 0.00 C \r\n< ATOM 3181 CE1 TYR A 204 -8.765 35.747 -20.312 1.00 0.00 C \r\n< ATOM 3182 CE2 TYR A 204 -10.651 35.536 -18.794 1.00 0.00 C \r\n< ATOM 3183 CZ TYR A 204 -9.856 36.284 -19.644 1.00 0.00 C \r\n< ATOM 3184 OH TYR A 204 -10.204 37.607 -19.821 1.00 0.00 O \r\n< ATOM 3185 H TYR A 204 -8.097 33.528 -16.531 1.00 0.00 H \r\n< ATOM 3186 HA TYR A 204 -7.805 30.802 -17.707 1.00 0.00 H \r\n< ATOM 3187 1HB TYR A 204 -8.605 31.735 -19.880 1.00 0.00 H \r\n< ATOM 3188 2HB TYR A 204 -9.871 31.705 -18.629 1.00 0.00 H \r\n< ATOM 3189 HD1 TYR A 204 -7.670 33.925 -20.644 1.00 0.00 H \r\n< ATOM 3190 HD2 TYR A 204 -10.916 33.601 -17.882 1.00 0.00 H \r\n< ATOM 3191 HE1 TYR A 204 -8.164 36.336 -21.005 1.00 0.00 H \r\n< ATOM 3192 HE2 TYR A 204 -11.518 35.982 -18.303 1.00 0.00 H \r\n< ATOM 3193 HH TYR A 204 -11.134 37.776 -19.649 1.00 0.00 H \r\n< ATOM 3194 N PRO A 205 -5.789 31.830 -19.270 1.00 0.00 N \r\n< ATOM 3195 CA PRO A 205 -4.464 32.290 -19.759 1.00 0.00 C \r\n< ATOM 3196 C PRO A 205 -4.343 33.787 -20.116 1.00 0.00 C \r\n< ATOM 3197 O PRO A 205 -5.290 34.381 -20.623 1.00 0.00 O \r\n< ATOM 3198 CB PRO A 205 -4.236 31.409 -20.999 1.00 0.00 C \r\n< ATOM 3199 CG PRO A 205 -5.081 30.187 -20.769 1.00 0.00 C \r\n< ATOM 3200 CD PRO A 205 -6.310 30.687 -20.050 1.00 0.00 C \r\n< ATOM 3201 HA PRO A 205 -3.781 32.190 -19.040 1.00 0.00 H \r\n< ATOM 3202 1HB PRO A 205 -4.659 31.906 -21.640 1.00 0.00 H \r\n< ATOM 3203 2HB PRO A 205 -3.407 31.179 -20.889 1.00 0.00 H \r\n< ATOM 3204 1HG PRO A 205 -5.423 29.954 -21.507 1.00 0.00 H \r\n< ATOM 3205 2HG PRO A 205 -4.683 29.695 -20.077 1.00 0.00 H \r\n< ATOM 3206 1HD PRO A 205 -7.113 30.263 -20.342 1.00 0.00 H \r\n< ATOM 3207 2HD PRO A 205 -5.910 30.578 -19.192 1.00 0.00 H \r\n< ATOM 3208 N TYR A 206 -3.222 34.492 -19.947 1.00 0.00 N \r\n< ATOM 3209 CA TYR A 206 -1.987 33.870 -19.495 1.00 0.00 C \r\n< ATOM 3210 C TYR A 206 -1.580 34.244 -18.089 1.00 0.00 C \r\n< ATOM 3211 O TYR A 206 -2.089 35.184 -17.487 1.00 0.00 O \r\n< ATOM 3212 CB TYR A 206 -0.852 34.217 -20.461 1.00 0.00 C \r\n< ATOM 3213 CG TYR A 206 -0.908 33.457 -21.768 1.00 0.00 C \r\n< ATOM 3214 CD1 TYR A 206 -0.904 34.146 -22.971 1.00 0.00 C \r\n< ATOM 3215 CD2 TYR A 206 -0.964 32.071 -21.762 1.00 0.00 C \r\n< ATOM 3216 CE1 TYR A 206 -0.956 33.452 -24.165 1.00 0.00 C \r\n< ATOM 3217 CE2 TYR A 206 -1.015 31.377 -22.955 1.00 0.00 C \r\n< ATOM 3218 CZ TYR A 206 -1.011 32.063 -24.153 1.00 0.00 C \r\n< ATOM 3219 OH TYR A 206 -1.062 31.371 -25.341 1.00 0.00 O \r\n< ATOM 3220 H TYR A 206 -3.232 35.484 -20.139 1.00 0.00 H \r\n< ATOM 3221 HA TYR A 206 -2.087 32.784 -19.526 1.00 0.00 H \r\n< ATOM 3222 1HB TYR A 206 -0.879 35.284 -20.686 1.00 0.00 H \r\n< ATOM 3223 2HB TYR A 206 0.106 34.007 -19.986 1.00 0.00 H \r\n< ATOM 3224 HD1 TYR A 206 -0.861 35.235 -22.976 1.00 0.00 H \r\n< ATOM 3225 HD2 TYR A 206 -0.968 31.530 -20.816 1.00 0.00 H \r\n< ATOM 3226 HE1 TYR A 206 -0.953 33.993 -25.111 1.00 0.00 H \r\n< ATOM 3227 HE2 TYR A 206 -1.060 30.288 -22.951 1.00 0.00 H \r\n< ATOM 3228 HH TYR A 206 -0.554 30.560 -25.261 1.00 0.00 H \r\n< ATOM 3229 N GLY A 207 -0.617 33.506 -17.550 1.00 0.00 N \r\n< ATOM 3230 CA GLY A 207 -0.011 33.922 -16.320 1.00 0.00 C \r\n< ATOM 3231 C GLY A 207 1.425 34.394 -16.531 1.00 0.00 C \r\n< ATOM 3232 O GLY A 207 1.941 35.173 -15.738 1.00 0.00 O \r\n< ATOM 3233 H GLY A 207 -0.301 32.654 -17.990 1.00 0.00 H \r\n< ATOM 3234 1HA GLY A 207 -0.591 34.743 -15.897 1.00 0.00 H \r\n< ATOM 3235 2HA GLY A 207 -0.007 33.085 -15.624 1.00 0.00 H \r\n< ATOM 3236 N TYR A 208 2.102 33.957 -17.602 1.00 0.00 N \r\n< ATOM 3237 CA TYR A 208 3.507 34.286 -17.802 1.00 0.00 C \r\n< ATOM 3238 C TYR A 208 3.744 35.481 -18.692 1.00 0.00 C \r\n< ATOM 3239 O TYR A 208 4.870 35.969 -18.816 1.00 0.00 O \r\n< ATOM 3240 CB TYR A 208 4.246 33.074 -18.375 1.00 0.00 C \r\n< ATOM 3241 CG TYR A 208 3.767 32.660 -19.748 1.00 0.00 C \r\n< ATOM 3242 CD1 TYR A 208 4.311 33.250 -20.880 1.00 0.00 C \r\n< ATOM 3243 CD2 TYR A 208 2.783 31.691 -19.877 1.00 0.00 C \r\n< ATOM 3244 CE1 TYR A 208 3.874 32.872 -22.134 1.00 0.00 C \r\n< ATOM 3245 CE2 TYR A 208 2.346 31.313 -21.132 1.00 0.00 C \r\n< ATOM 3246 CZ TYR A 208 2.887 31.900 -22.257 1.00 0.00 C \r\n< ATOM 3247 OH TYR A 208 2.452 31.524 -23.507 1.00 0.00 O \r\n< ATOM 3248 H TYR A 208 1.628 33.387 -18.288 1.00 0.00 H \r\n< ATOM 3249 HA TYR A 208 3.968 34.536 -16.846 1.00 0.00 H \r\n< ATOM 3250 1HB TYR A 208 5.313 33.295 -18.438 1.00 0.00 H \r\n< ATOM 3251 2HB TYR A 208 4.127 32.224 -17.703 1.00 0.00 H \r\n< ATOM 3252 HD1 TYR A 208 5.085 34.012 -20.779 1.00 0.00 H \r\n< ATOM 3253 HD2 TYR A 208 2.355 31.228 -18.988 1.00 0.00 H \r\n< ATOM 3254 HE1 TYR A 208 4.302 33.336 -23.023 1.00 0.00 H \r\n< ATOM 3255 HE2 TYR A 208 1.572 30.552 -21.233 1.00 0.00 H \r\n< ATOM 3256 HH TYR A 208 2.884 32.065 -24.172 1.00 0.00 H \r\n< ATOM 3257 N THR A 209 2.682 35.991 -19.297 1.00 0.00 N \r\n< ATOM 3258 CA THR A 209 2.807 37.111 -20.207 1.00 0.00 C \r\n< ATOM 3259 C THR A 209 1.558 37.986 -20.091 1.00 0.00 C \r\n< ATOM 3260 O THR A 209 0.476 37.493 -19.808 1.00 0.00 O \r\n< ATOM 3261 CB THR A 209 2.990 36.650 -21.665 1.00 0.00 C \r\n< ATOM 3262 OG1 THR A 209 3.112 37.795 -22.519 1.00 0.00 O \r\n< ATOM 3263 CG2 THR A 209 1.802 35.813 -22.113 1.00 0.00 C \r\n< ATOM 3264 H THR A 209 1.768 35.597 -19.125 1.00 0.00 H \r\n< ATOM 3265 HA THR A 209 3.675 37.712 -19.935 1.00 0.00 H \r\n< ATOM 3266 HB THR A 209 3.901 36.056 -21.737 1.00 0.00 H \r\n< ATOM 3267 HG1 THR A 209 3.532 37.536 -23.343 1.00 0.00 H \r\n< ATOM 3268 1HG2 THR A 209 1.950 35.496 -23.145 1.00 0.00 H \r\n< ATOM 3269 2HG2 THR A 209 1.714 34.935 -21.472 1.00 0.00 H \r\n< ATOM 3270 3HG2 THR A 209 0.892 36.407 -22.042 1.00 0.00 H \r\n---\r\n> ATOM 3050 HA HIS A 196 -6.779 24.699 -6.055 1.00 0.00 H \r\n> ATOM 3051 1HB HIS A 196 -6.567 27.352 -7.496 1.00 0.00 H \r\n> ATOM 3052 2HB HIS A 196 -5.511 26.781 -6.212 1.00 0.00 H \r\n> ATOM 3053 HD2 HIS A 196 -6.550 25.089 -9.678 1.00 0.00 H \r\n> ATOM 3054 HE1 HIS A 196 -2.333 24.834 -9.114 1.00 0.00 H \r\n> ATOM 3055 HE2 HIS A 196 -4.283 24.262 -10.654 1.00 0.00 H \r\n> ATOM 3056 N SER A 197 -7.548 26.643 -4.308 1.00 0.00 N \r\n> ATOM 3057 CA SER A 197 -8.095 27.666 -3.436 1.00 0.00 C \r\n> ATOM 3058 C SER A 197 -6.946 28.517 -2.872 1.00 0.00 C \r\n> ATOM 3059 O SER A 197 -5.789 28.115 -2.919 1.00 0.00 O \r\n> ATOM 3060 CB SER A 197 -8.892 27.033 -2.313 1.00 0.00 C \r\n> ATOM 3061 OG SER A 197 -8.051 26.357 -1.419 1.00 0.00 O \r\n> ATOM 3062 H SER A 197 -6.706 26.159 -4.031 1.00 0.00 H \r\n> ATOM 3063 HA SER A 197 -8.858 28.281 -3.916 1.00 0.00 H \r\n> ATOM 3064 1HB SER A 197 -9.447 27.805 -1.781 1.00 0.00 H \r\n> ATOM 3065 2HB SER A 197 -9.618 26.337 -2.730 1.00 0.00 H \r\n> ATOM 3066 HG SER A 197 -7.179 26.742 -1.534 1.00 0.00 H \r\n> ATOM 3067 N TYR A 198 -7.075 29.731 -2.358 1.00 0.00 N \r\n> ATOM 3068 CA TYR A 198 -8.371 30.358 -2.188 1.00 0.00 C \r\n> ATOM 3069 C TYR A 198 -8.322 31.699 -2.889 1.00 0.00 C \r\n> ATOM 3070 O TYR A 198 -7.237 32.194 -3.183 1.00 0.00 O \r\n> ATOM 3071 CB TYR A 198 -8.728 30.519 -0.709 1.00 0.00 C \r\n> ATOM 3072 CG TYR A 198 -7.724 31.334 0.076 1.00 0.00 C \r\n> ATOM 3073 CD1 TYR A 198 -7.880 32.708 0.185 1.00 0.00 C \r\n> ATOM 3074 CD2 TYR A 198 -6.648 30.708 0.687 1.00 0.00 C \r\n> ATOM 3075 CE1 TYR A 198 -6.963 33.453 0.902 1.00 0.00 C \r\n> ATOM 3076 CE2 TYR A 198 -5.731 31.452 1.404 1.00 0.00 C \r\n> ATOM 3077 CZ TYR A 198 -5.886 32.819 1.512 1.00 0.00 C \r\n> ATOM 3078 OH TYR A 198 -4.973 33.560 2.226 1.00 0.00 O \r\n> ATOM 3079 H TYR A 198 -6.245 30.233 -2.077 1.00 0.00 H \r\n> ATOM 3080 HA TYR A 198 -9.147 29.732 -2.630 1.00 0.00 H \r\n> ATOM 3081 1HB TYR A 198 -9.702 31.002 -0.620 1.00 0.00 H \r\n> ATOM 3082 2HB TYR A 198 -8.806 29.537 -0.244 1.00 0.00 H \r\n> ATOM 3083 HD1 TYR A 198 -8.725 33.201 -0.295 1.00 0.00 H \r\n> ATOM 3084 HD2 TYR A 198 -6.525 29.628 0.601 1.00 0.00 H \r\n> ATOM 3085 HE1 TYR A 198 -7.085 34.532 0.988 1.00 0.00 H \r\n> ATOM 3086 HE2 TYR A 198 -4.885 30.959 1.883 1.00 0.00 H \r\n> ATOM 3087 HH TYR A 198 -5.208 34.490 2.177 1.00 0.00 H \r\n> ATOM 3088 N SER A 199 -9.508 32.259 -3.178 1.00 0.00 N \r\n> ATOM 3089 CA SER A 199 -9.683 33.642 -3.544 1.00 0.00 C \r\n> ATOM 3090 C SER A 199 -10.961 33.916 -4.266 1.00 0.00 C \r\n> ATOM 3091 O SER A 199 -11.272 35.083 -4.435 1.00 0.00 O \r\n> ATOM 3092 CB SER A 199 -8.521 34.092 -4.407 1.00 0.00 C \r\n> ATOM 3093 OG SER A 199 -7.383 34.340 -3.629 1.00 0.00 O \r\n> ATOM 3094 H SER A 199 -10.316 31.656 -3.132 1.00 0.00 H \r\n> ATOM 3095 HA SER A 199 -9.595 34.327 -2.699 1.00 0.00 H \r\n> ATOM 3096 1HB SER A 199 -8.298 33.322 -5.146 1.00 0.00 H \r\n> ATOM 3097 2HB SER A 199 -8.799 34.995 -4.949 1.00 0.00 H \r\n> ATOM 3098 HG SER A 199 -6.787 33.605 -3.789 1.00 0.00 H \r\n> ATOM 3099 N GLN A 200 -11.724 32.898 -4.653 1.00 0.00 N \r\n> ATOM 3100 CA GLN A 200 -12.942 33.065 -5.442 1.00 0.00 C \r\n> ATOM 3101 C GLN A 200 -12.740 33.791 -6.751 1.00 0.00 C \r\n> ATOM 3102 O GLN A 200 -13.259 34.879 -6.990 1.00 0.00 O \r\n> ATOM 3103 CB GLN A 200 -14.016 33.803 -4.613 1.00 0.00 C \r\n> ATOM 3104 CG GLN A 200 -14.418 33.029 -3.335 1.00 0.00 C \r\n> ATOM 3105 CD GLN A 200 -15.400 33.778 -2.427 1.00 0.00 C \r\n> ATOM 3106 OE1 GLN A 200 -15.478 33.471 -1.251 1.00 0.00 O \r\n> ATOM 3107 NE2 GLN A 200 -16.195 34.759 -2.849 1.00 0.00 N \r\n> ATOM 3108 H GLN A 200 -11.437 31.969 -4.381 1.00 0.00 H \r\n> ATOM 3109 HA GLN A 200 -13.321 32.087 -5.738 1.00 0.00 H \r\n> ATOM 3110 1HB GLN A 200 -13.601 34.778 -4.355 1.00 0.00 H \r\n> ATOM 3111 2HB GLN A 200 -14.879 33.939 -5.265 1.00 0.00 H \r\n> ATOM 3112 1HG GLN A 200 -14.745 31.989 -3.354 1.00 0.00 H \r\n> ATOM 3113 2HG GLN A 200 -13.427 33.088 -2.882 1.00 0.00 H \r\n> ATOM 3114 1HE2 GLN A 200 -16.816 35.211 -2.208 1.00 0.00 H \r\n> ATOM 3115 2HE2 GLN A 200 -16.171 35.045 -3.807 1.00 0.00 H \r\n> ATOM 3116 N LEU A 201 -11.956 33.163 -7.632 1.00 0.00 N \r\n> ATOM 3117 CA LEU A 201 -11.583 33.731 -8.920 1.00 0.00 C \r\n> ATOM 3118 C LEU A 201 -11.735 32.679 -10.006 1.00 0.00 C \r\n> ATOM 3119 O LEU A 201 -11.483 31.506 -9.715 1.00 0.00 O \r\n> ATOM 3120 CB LEU A 201 -10.139 34.248 -8.886 1.00 0.00 C \r\n> ATOM 3121 CG LEU A 201 -9.807 35.220 -7.746 1.00 0.00 C \r\n> ATOM 3122 CD1 LEU A 201 -8.298 35.403 -7.658 1.00 0.00 C \r\n> ATOM 3123 CD2 LEU A 201 -10.505 36.549 -7.992 1.00 0.00 C \r\n> ATOM 3124 H LEU A 201 -11.612 32.247 -7.380 1.00 0.00 H \r\n> ATOM 3125 HA LEU A 201 -12.198 34.607 -9.125 1.00 0.00 H \r\n> ATOM 3126 1HB LEU A 201 -9.467 33.395 -8.800 1.00 0.00 H \r\n> ATOM 3127 2HB LEU A 201 -9.929 34.756 -9.827 1.00 0.00 H \r\n> ATOM 3128 HG LEU A 201 -10.148 34.800 -6.799 1.00 0.00 H \r\n> ATOM 3129 1HD1 LEU A 201 -8.062 36.093 -6.848 1.00 0.00 H \r\n> ATOM 3130 2HD1 LEU A 201 -7.825 34.440 -7.462 1.00 0.00 H \r\n> ATOM 3131 3HD1 LEU A 201 -7.925 35.806 -8.599 1.00 0.00 H \r\n> ATOM 3132 1HD2 LEU A 201 -10.270 37.239 -7.182 1.00 0.00 H \r\n> ATOM 3133 2HD2 LEU A 201 -10.164 36.969 -8.939 1.00 0.00 H \r\n> ATOM 3134 3HD2 LEU A 201 -11.583 36.391 -8.033 1.00 0.00 H \r\n> ATOM 3135 N LEU A 202 -12.187 33.054 -11.215 1.00 0.00 N \r\n> ATOM 3136 CA LEU A 202 -12.132 32.165 -12.376 1.00 0.00 C \r\n> ATOM 3137 C LEU A 202 -11.062 32.747 -13.343 1.00 0.00 C \r\n> ATOM 3138 O LEU A 202 -11.158 33.827 -13.938 1.00 0.00 O \r\n> ATOM 3139 CB LEU A 202 -13.506 32.052 -13.048 1.00 0.00 C \r\n> ATOM 3140 CG LEU A 202 -13.553 31.151 -14.289 1.00 0.00 C \r\n> ATOM 3141 CD1 LEU A 202 -13.007 29.770 -13.953 1.00 0.00 C \r\n> ATOM 3142 CD2 LEU A 202 -14.984 31.058 -14.796 1.00 0.00 C \r\n> ATOM 3143 H LEU A 202 -12.577 33.979 -11.322 1.00 0.00 H \r\n> ATOM 3144 HA LEU A 202 -11.885 31.155 -12.051 1.00 0.00 H \r\n> ATOM 3145 1HB LEU A 202 -14.064 31.594 -12.233 1.00 0.00 H \r\n> ATOM 3146 2HB LEU A 202 -13.928 33.031 -13.272 1.00 0.00 H \r\n> ATOM 3147 HG LEU A 202 -12.956 31.636 -15.063 1.00 0.00 H \r\n> ATOM 3148 1HD1 LEU A 202 -13.045 29.138 -14.841 1.00 0.00 H \r\n> ATOM 3149 2HD1 LEU A 202 -11.975 29.859 -13.616 1.00 0.00 H \r\n> ATOM 3150 3HD1 LEU A 202 -13.612 29.323 -13.165 1.00 0.00 H \r\n> ATOM 3151 1HD2 LEU A 202 -15.016 30.418 -15.679 1.00 0.00 H \r\n> ATOM 3152 2HD2 LEU A 202 -15.620 30.634 -14.017 1.00 0.00 H \r\n> ATOM 3153 3HD2 LEU A 202 -15.345 32.053 -15.057 1.00 0.00 H \r\n> ATOM 3154 N LEU A 203 -10.022 31.968 -13.584 1.00 0.00 N \r\n> ATOM 3155 CA LEU A 203 -8.858 32.440 -14.283 1.00 0.00 C \r\n> ATOM 3156 C LEU A 203 -8.690 31.773 -15.629 1.00 0.00 C \r\n> ATOM 3157 O LEU A 203 -8.949 30.581 -15.776 1.00 0.00 O \r\n> ATOM 3158 CB LEU A 203 -7.606 32.200 -13.430 1.00 0.00 C \r\n> ATOM 3159 CG LEU A 203 -7.714 32.619 -11.958 1.00 0.00 C \r\n> ATOM 3160 CD1 LEU A 203 -6.519 32.077 -11.186 1.00 0.00 C \r\n> ATOM 3161 CD2 LEU A 203 -7.781 34.137 -11.866 1.00 0.00 C \r\n> ATOM 3162 H LEU A 203 -10.049 31.010 -13.266 1.00 0.00 H \r\n> ATOM 3163 HA LEU A 203 -8.957 33.507 -14.479 1.00 0.00 H \r\n> ATOM 3164 1HB LEU A 203 -7.368 31.138 -13.454 1.00 0.00 H \r\n> ATOM 3165 2HB LEU A 203 -6.774 32.748 -13.871 1.00 0.00 H \r\n> ATOM 3166 HG LEU A 203 -8.616 32.189 -11.522 1.00 0.00 H \r\n> ATOM 3167 1HD1 LEU A 203 -6.595 32.375 -10.140 1.00 0.00 H \r\n> ATOM 3168 2HD1 LEU A 203 -6.506 30.989 -11.252 1.00 0.00 H \r\n> ATOM 3169 3HD1 LEU A 203 -5.599 32.478 -11.611 1.00 0.00 H \r\n> ATOM 3170 1HD2 LEU A 203 -7.859 34.435 -10.820 1.00 0.00 H \r\n> ATOM 3171 2HD2 LEU A 203 -6.879 34.568 -12.301 1.00 0.00 H \r\n> ATOM 3172 3HD2 LEU A 203 -8.654 34.496 -12.412 1.00 0.00 H \r\n> ATOM 3173 N TYR A 204 -8.248 32.518 -16.647 1.00 0.00 N \r\n> ATOM 3174 CA TYR A 204 -7.879 31.870 -17.885 1.00 0.00 C \r\n> ATOM 3175 C TYR A 204 -6.480 32.379 -18.271 1.00 0.00 C \r\n> ATOM 3176 O TYR A 204 -5.963 33.301 -17.621 1.00 0.00 O \r\n> ATOM 3177 CB TYR A 204 -8.951 32.185 -18.987 1.00 0.00 C \r\n> ATOM 3178 CG TYR A 204 -9.264 33.652 -19.248 1.00 0.00 C \r\n> ATOM 3179 CD1 TYR A 204 -8.521 34.413 -20.152 1.00 0.00 C \r\n> ATOM 3180 CD2 TYR A 204 -10.324 34.216 -18.559 1.00 0.00 C \r\n> ATOM 3181 CE1 TYR A 204 -8.798 35.752 -20.337 1.00 0.00 C \r\n> ATOM 3182 CE2 TYR A 204 -10.643 35.537 -18.769 1.00 0.00 C \r\n> ATOM 3183 CZ TYR A 204 -9.870 36.288 -19.636 1.00 0.00 C \r\n> ATOM 3184 OH TYR A 204 -10.220 37.612 -19.797 1.00 0.00 O \r\n> ATOM 3185 H TYR A 204 -8.166 33.521 -16.573 1.00 0.00 H \r\n> ATOM 3186 HA TYR A 204 -7.830 30.791 -17.737 1.00 0.00 H \r\n> ATOM 3187 1HB TYR A 204 -8.592 31.749 -19.920 1.00 0.00 H \r\n> ATOM 3188 2HB TYR A 204 -9.876 31.694 -18.687 1.00 0.00 H \r\n> ATOM 3189 HD1 TYR A 204 -7.717 33.930 -20.708 1.00 0.00 H \r\n> ATOM 3190 HD2 TYR A 204 -10.886 33.597 -17.860 1.00 0.00 H \r\n> ATOM 3191 HE1 TYR A 204 -8.216 36.343 -21.043 1.00 0.00 H \r\n> ATOM 3192 HE2 TYR A 204 -11.495 35.982 -18.252 1.00 0.00 H \r\n> ATOM 3193 HH TYR A 204 -11.140 37.785 -19.581 1.00 0.00 H \r\n> ATOM 3194 N PRO A 205 -5.794 31.819 -19.280 1.00 0.00 N \r\n> ATOM 3195 CA PRO A 205 -4.468 32.281 -19.761 1.00 0.00 C \r\n> ATOM 3196 C PRO A 205 -4.346 33.780 -20.111 1.00 0.00 C \r\n> ATOM 3197 O PRO A 205 -5.292 34.376 -20.619 1.00 0.00 O \r\n> ATOM 3198 CB PRO A 205 -4.234 31.407 -21.005 1.00 0.00 C \r\n> ATOM 3199 CG PRO A 205 -5.080 30.183 -20.784 1.00 0.00 C \r\n> ATOM 3200 CD PRO A 205 -6.311 30.678 -20.067 1.00 0.00 C \r\n> ATOM 3201 HA PRO A 205 -3.788 32.179 -19.041 1.00 0.00 H \r\n> ATOM 3202 1HB PRO A 205 -4.656 31.906 -21.645 1.00 0.00 H \r\n> ATOM 3203 2HB PRO A 205 -3.406 31.177 -20.893 1.00 0.00 H \r\n> ATOM 3204 1HG PRO A 205 -5.418 29.953 -21.525 1.00 0.00 H \r\n> ATOM 3205 2HG PRO A 205 -4.684 29.688 -20.093 1.00 0.00 H \r\n> ATOM 3206 1HD PRO A 205 -7.113 30.255 -20.364 1.00 0.00 H \r\n> ATOM 3207 2HD PRO A 205 -5.914 30.566 -19.209 1.00 0.00 H \r\n> ATOM 3208 N TYR A 206 -3.227 34.486 -19.935 1.00 0.00 N \r\n> ATOM 3209 CA TYR A 206 -1.994 33.863 -19.481 1.00 0.00 C \r\n> ATOM 3210 C TYR A 206 -1.586 34.239 -18.075 1.00 0.00 C \r\n> ATOM 3211 O TYR A 206 -2.082 35.191 -17.482 1.00 0.00 O \r\n> ATOM 3212 CB TYR A 206 -0.857 34.205 -20.447 1.00 0.00 C \r\n> ATOM 3213 CG TYR A 206 -0.914 33.441 -21.751 1.00 0.00 C \r\n> ATOM 3214 CD1 TYR A 206 -0.926 34.128 -22.957 1.00 0.00 C \r\n> ATOM 3215 CD2 TYR A 206 -0.953 32.055 -21.742 1.00 0.00 C \r\n> ATOM 3216 CE1 TYR A 206 -0.977 33.430 -24.148 1.00 0.00 C \r\n> ATOM 3217 CE2 TYR A 206 -1.005 31.358 -22.933 1.00 0.00 C \r\n> ATOM 3218 CZ TYR A 206 -1.017 32.040 -24.132 1.00 0.00 C \r\n> ATOM 3219 OH TYR A 206 -1.068 31.346 -25.319 1.00 0.00 O \r\n> ATOM 3220 H TYR A 206 -3.237 35.478 -20.122 1.00 0.00 H \r\n> ATOM 3221 HA TYR A 206 -2.095 32.777 -19.509 1.00 0.00 H \r\n> ATOM 3222 1HB TYR A 206 -0.882 35.272 -20.675 1.00 0.00 H \r\n> ATOM 3223 2HB TYR A 206 0.100 33.995 -19.971 1.00 0.00 H \r\n> ATOM 3224 HD1 TYR A 206 -0.894 35.217 -22.964 1.00 0.00 H \r\n> ATOM 3225 HD2 TYR A 206 -0.945 31.516 -20.795 1.00 0.00 H \r\n> ATOM 3226 HE1 TYR A 206 -0.987 33.969 -25.095 1.00 0.00 H \r\n> ATOM 3227 HE2 TYR A 206 -1.037 30.268 -22.926 1.00 0.00 H \r\n> ATOM 3228 HH TYR A 206 -0.576 30.526 -25.230 1.00 0.00 H \r\n> ATOM 3229 N GLY A 207 -0.638 33.489 -17.527 1.00 0.00 N \r\n> ATOM 3230 CA GLY A 207 -0.030 33.903 -16.298 1.00 0.00 C \r\n> ATOM 3231 C GLY A 207 1.407 34.372 -16.510 1.00 0.00 C \r\n> ATOM 3232 O GLY A 207 1.948 35.093 -15.681 1.00 0.00 O \r\n> ATOM 3233 H GLY A 207 -0.335 32.628 -17.959 1.00 0.00 H \r\n> ATOM 3234 1HA GLY A 207 -0.608 34.724 -15.874 1.00 0.00 H \r\n> ATOM 3235 2HA GLY A 207 -0.026 33.065 -15.601 1.00 0.00 H \r\n> ATOM 3236 N TYR A 208 2.055 33.999 -17.622 1.00 0.00 N \r\n> ATOM 3237 CA TYR A 208 3.461 34.320 -17.829 1.00 0.00 C \r\n> ATOM 3238 C TYR A 208 3.699 35.517 -18.717 1.00 0.00 C \r\n> ATOM 3239 O TYR A 208 4.827 35.999 -18.847 1.00 0.00 O \r\n> ATOM 3240 CB TYR A 208 4.189 33.106 -18.410 1.00 0.00 C \r\n> ATOM 3241 CG TYR A 208 3.698 32.698 -19.781 1.00 0.00 C \r\n> ATOM 3242 CD1 TYR A 208 4.195 33.328 -20.912 1.00 0.00 C \r\n> ATOM 3243 CD2 TYR A 208 2.749 31.694 -19.907 1.00 0.00 C \r\n> ATOM 3244 CE1 TYR A 208 3.746 32.955 -22.165 1.00 0.00 C \r\n> ATOM 3245 CE2 TYR A 208 2.300 31.321 -21.159 1.00 0.00 C \r\n> ATOM 3246 CZ TYR A 208 2.795 31.948 -22.285 1.00 0.00 C \r\n> ATOM 3247 OH TYR A 208 2.348 31.576 -23.532 1.00 0.00 O \r\n> ATOM 3248 H TYR A 208 1.559 33.482 -18.334 1.00 0.00 H \r\n> ATOM 3249 HA TYR A 208 3.929 34.565 -16.875 1.00 0.00 H \r\n> ATOM 3250 1HB TYR A 208 5.256 33.322 -18.481 1.00 0.00 H \r\n> ATOM 3251 2HB TYR A 208 4.071 32.256 -17.739 1.00 0.00 H \r\n> ATOM 3252 HD1 TYR A 208 4.941 34.117 -20.813 1.00 0.00 H \r\n> ATOM 3253 HD2 TYR A 208 2.358 31.199 -19.018 1.00 0.00 H \r\n> ATOM 3254 HE1 TYR A 208 4.137 33.450 -23.053 1.00 0.00 H \r\n> ATOM 3255 HE2 TYR A 208 1.554 30.532 -21.258 1.00 0.00 H \r\n> ATOM 3256 HH TYR A 208 2.766 32.127 -24.198 1.00 0.00 H \r\n> ATOM 3257 N THR A 209 2.636 36.036 -19.312 1.00 0.00 N \r\n> ATOM 3258 CA THR A 209 2.755 37.189 -20.181 1.00 0.00 C \r\n> ATOM 3259 C THR A 209 1.495 38.045 -20.045 1.00 0.00 C \r\n> ATOM 3260 O THR A 209 0.416 37.529 -19.789 1.00 0.00 O \r\n> ATOM 3261 CB THR A 209 2.955 36.782 -21.653 1.00 0.00 C \r\n> ATOM 3262 OG1 THR A 209 3.071 37.958 -22.465 1.00 0.00 O \r\n> ATOM 3263 CG2 THR A 209 1.781 35.948 -22.140 1.00 0.00 C \r\n> ATOM 3264 H THR A 209 1.725 35.625 -19.162 1.00 0.00 H \r\n> ATOM 3265 HA THR A 209 3.613 37.790 -19.880 1.00 0.00 H \r\n> ATOM 3266 HB THR A 209 3.874 36.202 -21.738 1.00 0.00 H \r\n> ATOM 3267 HG1 THR A 209 3.501 37.733 -23.294 1.00 0.00 H \r\n> ATOM 3268 1HG2 THR A 209 1.941 35.669 -23.182 1.00 0.00 H \r\n> ATOM 3269 2HG2 THR A 209 1.698 35.047 -21.532 1.00 0.00 H \r\n> ATOM 3270 3HG2 THR A 209 0.864 36.528 -22.056 1.00 0.00 H \r\n3775,3938c3775,3938\r\n< ATOM 3759 N SER A 242 -7.728 37.281 -16.834 1.00 0.00 N \r\n< ATOM 3760 CA SER A 242 -6.542 36.456 -17.053 1.00 0.00 C \r\n< ATOM 3761 C SER A 242 -5.724 36.288 -15.756 1.00 0.00 C \r\n< ATOM 3762 O SER A 242 -5.800 37.085 -14.818 1.00 0.00 O \r\n< ATOM 3763 CB SER A 242 -5.687 37.066 -18.147 1.00 0.00 C \r\n< ATOM 3764 OG SER A 242 -4.488 36.364 -18.330 1.00 0.00 O \r\n< ATOM 3765 H SER A 242 -7.768 38.204 -17.242 1.00 0.00 H \r\n< ATOM 3766 HA SER A 242 -6.768 35.482 -17.488 1.00 0.00 H \r\n< ATOM 3767 1HB SER A 242 -6.251 37.052 -19.079 1.00 0.00 H \r\n< ATOM 3768 2HB SER A 242 -5.458 38.096 -17.878 1.00 0.00 H \r\n< ATOM 3769 HG SER A 242 -3.990 36.362 -17.509 1.00 0.00 H \r\n< ATOM 3770 N ILE A 243 -4.994 35.180 -15.583 1.00 0.00 N \r\n< ATOM 3771 CA ILE A 243 -4.193 34.984 -14.388 1.00 0.00 C \r\n< ATOM 3772 C ILE A 243 -3.332 36.188 -14.029 1.00 0.00 C \r\n< ATOM 3773 O ILE A 243 -3.517 36.767 -12.957 1.00 0.00 O \r\n< ATOM 3774 CB ILE A 243 -3.288 33.750 -14.553 1.00 0.00 C \r\n< ATOM 3775 CG1 ILE A 243 -4.132 32.477 -14.647 1.00 0.00 C \r\n< ATOM 3776 CG2 ILE A 243 -2.302 33.655 -13.399 1.00 0.00 C \r\n< ATOM 3777 CD1 ILE A 243 -3.371 31.276 -15.160 1.00 0.00 C \r\n< ATOM 3778 H ILE A 243 -4.998 34.465 -16.296 1.00 0.00 H \r\n< ATOM 3779 HA ILE A 243 -4.832 34.861 -13.514 1.00 0.00 H \r\n< ATOM 3780 HB ILE A 243 -2.732 33.829 -15.487 1.00 0.00 H \r\n< ATOM 3781 1HG1 ILE A 243 -4.533 32.233 -13.664 1.00 0.00 H \r\n< ATOM 3782 2HG1 ILE A 243 -4.980 32.651 -15.311 1.00 0.00 H \r\n< ATOM 3783 1HG2 ILE A 243 -1.670 32.777 -13.531 1.00 0.00 H \r\n< ATOM 3784 2HG2 ILE A 243 -1.681 34.549 -13.377 1.00 0.00 H \r\n< ATOM 3785 3HG2 ILE A 243 -2.849 33.570 -12.460 1.00 0.00 H \r\n< ATOM 3786 1HD1 ILE A 243 -4.036 30.413 -15.199 1.00 0.00 H \r\n< ATOM 3787 2HD1 ILE A 243 -2.990 31.486 -16.160 1.00 0.00 H \r\n< ATOM 3788 3HD1 ILE A 243 -2.538 31.061 -14.492 1.00 0.00 H \r\n< ATOM 3789 N ILE A 244 -2.441 36.631 -14.943 1.00 0.00 N \r\n< ATOM 3790 CA ILE A 244 -1.498 37.686 -14.588 1.00 0.00 C \r\n< ATOM 3791 C ILE A 244 -2.162 38.997 -14.178 1.00 0.00 C \r\n< ATOM 3792 O ILE A 244 -1.676 39.738 -13.338 1.00 0.00 O \r\n< ATOM 3793 CB ILE A 244 -0.543 37.961 -15.765 1.00 0.00 C \r\n< ATOM 3794 CG1 ILE A 244 0.638 38.820 -15.305 1.00 0.00 C \r\n< ATOM 3795 CG2 ILE A 244 -1.286 38.639 -16.905 1.00 0.00 C \r\n< ATOM 3796 CD1 ILE A 244 1.818 38.790 -16.249 1.00 0.00 C \r\n< ATOM 3797 H ILE A 244 -2.416 36.241 -15.874 1.00 0.00 H \r\n< ATOM 3798 HA ILE A 244 -0.974 37.439 -13.666 1.00 0.00 H \r\n< ATOM 3799 HB ILE A 244 -0.128 37.019 -16.123 1.00 0.00 H \r\n< ATOM 3800 1HG1 ILE A 244 0.314 39.854 -15.195 1.00 0.00 H \r\n< ATOM 3801 2HG1 ILE A 244 0.977 38.479 -14.326 1.00 0.00 H \r\n< ATOM 3802 1HG2 ILE A 244 -0.597 38.826 -17.728 1.00 0.00 H \r\n< ATOM 3803 2HG2 ILE A 244 -2.093 37.993 -17.248 1.00 0.00 H \r\n< ATOM 3804 3HG2 ILE A 244 -1.702 39.585 -16.558 1.00 0.00 H \r\n< ATOM 3805 1HD1 ILE A 244 2.615 39.422 -15.855 1.00 0.00 H \r\n< ATOM 3806 2HD1 ILE A 244 2.181 37.766 -16.346 1.00 0.00 H \r\n< ATOM 3807 3HD1 ILE A 244 1.512 39.161 -17.226 1.00 0.00 H \r\n< ATOM 3808 N THR A 245 -3.386 39.161 -14.670 1.00 0.00 N \r\n< ATOM 3809 CA THR A 245 -4.295 40.289 -14.481 1.00 0.00 C \r\n< ATOM 3810 C THR A 245 -5.220 40.190 -13.261 1.00 0.00 C \r\n< ATOM 3811 O THR A 245 -5.693 41.196 -12.727 1.00 0.00 O \r\n< ATOM 3812 CB THR A 245 -5.160 40.478 -15.741 1.00 0.00 C \r\n< ATOM 3813 OG1 THR A 245 -6.060 39.371 -15.877 1.00 0.00 O \r\n< ATOM 3814 CG2 THR A 245 -4.283 40.569 -16.981 1.00 0.00 C \r\n< ATOM 3815 H THR A 245 -3.680 38.382 -15.241 1.00 0.00 H \r\n< ATOM 3816 HA THR A 245 -3.724 41.189 -14.252 1.00 0.00 H \r\n< ATOM 3817 HB THR A 245 -5.743 41.394 -15.648 1.00 0.00 H \r\n< ATOM 3818 HG1 THR A 245 -5.944 38.772 -15.135 1.00 0.00 H \r\n< ATOM 3819 1HG2 THR A 245 -4.911 40.703 -17.861 1.00 0.00 H \r\n< ATOM 3820 2HG2 THR A 245 -3.605 41.417 -16.886 1.00 0.00 H \r\n< ATOM 3821 3HG2 THR A 245 -3.704 39.652 -17.085 1.00 0.00 H \r\n< ATOM 3822 N THR A 246 -5.465 38.969 -12.771 1.00 0.00 N \r\n< ATOM 3823 CA THR A 246 -6.393 38.731 -11.675 1.00 0.00 C \r\n< ATOM 3824 C THR A 246 -5.699 38.286 -10.404 1.00 0.00 C \r\n< ATOM 3825 O THR A 246 -6.074 38.826 -9.365 1.00 0.00 O \r\n< ATOM 3826 CB THR A 246 -7.444 37.678 -12.072 1.00 0.00 C \r\n< ATOM 3827 OG1 THR A 246 -8.071 38.064 -13.302 1.00 0.00 O \r\n< ATOM 3828 CG2 THR A 246 -8.503 37.546 -10.987 1.00 0.00 C \r\n< ATOM 3829 H THR A 246 -4.982 38.186 -13.185 1.00 0.00 H \r\n< ATOM 3830 HA THR A 246 -6.887 39.663 -11.401 1.00 0.00 H \r\n< ATOM 3831 HB THR A 246 -6.957 36.714 -12.215 1.00 0.00 H \r\n< ATOM 3832 HG1 THR A 246 -7.519 37.795 -14.040 1.00 0.00 H \r\n< ATOM 3833 1HG2 THR A 246 -9.237 36.798 -11.284 1.00 0.00 H \r\n< ATOM 3834 2HG2 THR A 246 -8.031 37.242 -10.053 1.00 0.00 H \r\n< ATOM 3835 3HG2 THR A 246 -9.000 38.505 -10.846 1.00 0.00 H \r\n< ATOM 3836 N ILE A 247 -4.733 37.348 -10.335 1.00 0.00 N \r\n< ATOM 3837 CA ILE A 247 -3.997 37.167 -9.081 1.00 0.00 C \r\n< ATOM 3838 C ILE A 247 -2.628 37.772 -9.234 1.00 0.00 C \r\n< ATOM 3839 O ILE A 247 -2.378 38.846 -8.709 1.00 0.00 O \r\n< ATOM 3840 CB ILE A 247 -3.871 35.682 -8.697 1.00 0.00 C \r\n< ATOM 3841 CG1 ILE A 247 -5.256 35.066 -8.481 1.00 0.00 C \r\n< ATOM 3842 CG2 ILE A 247 -3.015 35.526 -7.449 1.00 0.00 C \r\n< ATOM 3843 CD1 ILE A 247 -5.224 33.593 -8.143 1.00 0.00 C \r\n< ATOM 3844 H ILE A 247 -4.503 36.766 -11.128 1.00 0.00 H \r\n< ATOM 3845 HA ILE A 247 -4.539 37.616 -8.250 1.00 0.00 H \r\n< ATOM 3846 HB ILE A 247 -3.406 35.132 -9.515 1.00 0.00 H \r\n< ATOM 3847 1HG1 ILE A 247 -5.765 35.590 -7.672 1.00 0.00 H \r\n< ATOM 3848 2HG1 ILE A 247 -5.856 35.196 -9.382 1.00 0.00 H \r\n< ATOM 3849 1HG2 ILE A 247 -2.937 34.470 -7.191 1.00 0.00 H \r\n< ATOM 3850 2HG2 ILE A 247 -2.021 35.928 -7.637 1.00 0.00 H \r\n< ATOM 3851 3HG2 ILE A 247 -3.475 36.068 -6.622 1.00 0.00 H \r\n< ATOM 3852 1HD1 ILE A 247 -6.242 33.229 -8.006 1.00 0.00 H \r\n< ATOM 3853 2HD1 ILE A 247 -4.749 33.043 -8.957 1.00 0.00 H \r\n< ATOM 3854 3HD1 ILE A 247 -4.658 33.442 -7.225 1.00 0.00 H \r\n< ATOM 3855 N TYR A 248 -1.695 37.112 -9.897 1.00 0.00 N \r\n< ATOM 3856 CA TYR A 248 -0.426 37.734 -10.176 1.00 0.00 C \r\n< ATOM 3857 C TYR A 248 0.331 36.986 -11.242 1.00 0.00 C \r\n< ATOM 3858 O TYR A 248 -0.118 35.946 -11.702 1.00 0.00 O \r\n< ATOM 3859 CB TYR A 248 0.413 37.829 -8.900 1.00 0.00 C \r\n< ATOM 3860 CG TYR A 248 1.237 36.592 -8.617 1.00 0.00 C \r\n< ATOM 3861 CD1 TYR A 248 2.601 36.705 -8.389 1.00 0.00 C \r\n< ATOM 3862 CD2 TYR A 248 0.629 35.346 -8.585 1.00 0.00 C \r\n< ATOM 3863 CE1 TYR A 248 3.353 35.575 -8.131 1.00 0.00 C \r\n< ATOM 3864 CE2 TYR A 248 1.381 34.217 -8.326 1.00 0.00 C \r\n< ATOM 3865 CZ TYR A 248 2.738 34.329 -8.100 1.00 0.00 C \r\n< ATOM 3866 OH TYR A 248 3.487 33.204 -7.843 1.00 0.00 O \r\n< ATOM 3867 H TYR A 248 -1.861 36.169 -10.215 1.00 0.00 H \r\n< ATOM 3868 HA TYR A 248 -0.582 38.753 -10.529 1.00 0.00 H \r\n< ATOM 3869 1HB TYR A 248 1.091 38.681 -8.972 1.00 0.00 H \r\n< ATOM 3870 2HB TYR A 248 -0.241 38.004 -8.046 1.00 0.00 H \r\n< ATOM 3871 HD1 TYR A 248 3.079 37.684 -8.415 1.00 0.00 H \r\n< ATOM 3872 HD2 TYR A 248 -0.443 35.258 -8.764 1.00 0.00 H \r\n< ATOM 3873 HE1 TYR A 248 4.425 35.663 -7.953 1.00 0.00 H \r\n< ATOM 3874 HE2 TYR A 248 0.903 33.237 -8.302 1.00 0.00 H \r\n< ATOM 3875 HH TYR A 248 2.928 32.532 -7.445 1.00 0.00 H \r\n< ATOM 3876 N GLN A 249 1.508 37.467 -11.603 1.00 0.00 N \r\n< ATOM 3877 CA GLN A 249 2.288 36.812 -12.616 1.00 0.00 C \r\n< ATOM 3878 C GLN A 249 2.648 35.421 -12.140 1.00 0.00 C \r\n< ATOM 3879 O GLN A 249 3.076 35.200 -11.012 1.00 0.00 O \r\n< ATOM 3880 CB GLN A 249 3.549 37.617 -12.940 1.00 0.00 C \r\n< ATOM 3881 CG GLN A 249 4.376 37.047 -14.080 1.00 0.00 C \r\n< ATOM 3882 CD GLN A 249 5.523 37.958 -14.474 1.00 0.00 C \r\n< ATOM 3883 OE1 GLN A 249 6.095 38.658 -13.635 1.00 0.00 O \r\n< ATOM 3884 NE2 GLN A 249 5.866 37.954 -15.757 1.00 0.00 N \r\n< ATOM 3885 H GLN A 249 1.869 38.303 -11.167 1.00 0.00 H \r\n< ATOM 3886 HA GLN A 249 1.694 36.709 -13.524 1.00 0.00 H \r\n< ATOM 3887 1HB GLN A 249 3.271 38.638 -13.204 1.00 0.00 H \r\n< ATOM 3888 2HB GLN A 249 4.185 37.669 -12.056 1.00 0.00 H \r\n< ATOM 3889 1HG GLN A 249 4.792 36.089 -13.769 1.00 0.00 H \r\n< ATOM 3890 2HG GLN A 249 3.733 36.911 -14.949 1.00 0.00 H \r\n< ATOM 3891 1HE2 GLN A 249 6.616 38.535 -16.077 1.00 0.00 H \r\n< ATOM 3892 2HE2 GLN A 249 5.375 37.371 -16.405 1.00 0.00 H \r\n< ATOM 3893 N ALA A 250 2.522 34.413 -12.993 1.00 0.00 N \r\n< ATOM 3894 CA ALA A 250 2.830 33.041 -12.624 1.00 0.00 C \r\n< ATOM 3895 C ALA A 250 3.360 32.309 -13.851 1.00 0.00 C \r\n< ATOM 3896 O ALA A 250 2.678 32.259 -14.884 1.00 0.00 O \r\n< ATOM 3897 CB ALA A 250 1.604 32.341 -12.057 1.00 0.00 C \r\n< ATOM 3898 H ALA A 250 2.200 34.610 -13.929 1.00 0.00 H \r\n< ATOM 3899 HA ALA A 250 3.544 33.053 -11.799 1.00 0.00 H \r\n< ATOM 3900 1HB ALA A 250 1.857 31.311 -11.806 1.00 0.00 H \r\n< ATOM 3901 2HB ALA A 250 1.269 32.862 -11.160 1.00 0.00 H \r\n< ATOM 3902 3HB ALA A 250 0.807 32.347 -12.799 1.00 0.00 H \r\n< ATOM 3903 N SER A 251 4.552 31.710 -13.815 1.00 0.00 N \r\n< ATOM 3904 CA SER A 251 5.014 31.029 -15.027 1.00 0.00 C \r\n< ATOM 3905 C SER A 251 5.014 29.513 -14.858 1.00 0.00 C \r\n< ATOM 3906 O SER A 251 5.141 29.007 -13.745 1.00 0.00 O \r\n< ATOM 3907 CB SER A 251 6.408 31.502 -15.389 1.00 0.00 C \r\n< ATOM 3908 OG SER A 251 7.333 31.140 -14.401 1.00 0.00 O \r\n< ATOM 3909 H SER A 251 5.142 31.708 -12.995 1.00 0.00 H \r\n< ATOM 3910 HA SER A 251 4.455 31.310 -15.921 1.00 0.00 H \r\n< ATOM 3911 1HB SER A 251 6.703 31.068 -16.344 1.00 0.00 H \r\n< ATOM 3912 2HB SER A 251 6.405 32.584 -15.509 1.00 0.00 H \r\n< ATOM 3913 HG SER A 251 8.024 31.806 -14.428 1.00 0.00 H \r\n< ATOM 3914 N GLY A 252 4.886 28.729 -15.935 1.00 0.00 N \r\n< ATOM 3915 CA GLY A 252 4.847 27.298 -15.774 1.00 0.00 C \r\n< ATOM 3916 C GLY A 252 3.517 26.769 -15.241 1.00 0.00 C \r\n< ATOM 3917 O GLY A 252 3.460 25.628 -14.791 1.00 0.00 O \r\n< ATOM 3918 H GLY A 252 4.817 29.123 -16.862 1.00 0.00 H \r\n< ATOM 3919 1HA GLY A 252 5.025 26.826 -16.741 1.00 0.00 H \r\n< ATOM 3920 2HA GLY A 252 5.625 26.997 -15.075 1.00 0.00 H \r\n< ATOM 3921 N GLY A 253 2.434 27.548 -15.292 1.00 0.00 N \r\n< ATOM 3922 CA GLY A 253 1.120 27.109 -14.833 1.00 0.00 C \r\n---\r\n> ATOM 3759 N SER A 242 -7.735 37.125 -16.840 1.00 0.00 N \r\n> ATOM 3760 CA SER A 242 -6.514 36.357 -17.070 1.00 0.00 C \r\n> ATOM 3761 C SER A 242 -5.695 36.196 -15.773 1.00 0.00 C \r\n> ATOM 3762 O SER A 242 -5.810 36.969 -14.818 1.00 0.00 O \r\n> ATOM 3763 CB SER A 242 -5.681 37.026 -18.146 1.00 0.00 C \r\n> ATOM 3764 OG SER A 242 -4.452 36.381 -18.337 1.00 0.00 O \r\n> ATOM 3765 H SER A 242 -7.813 38.054 -17.229 1.00 0.00 H \r\n> ATOM 3766 HA SER A 242 -6.695 35.383 -17.527 1.00 0.00 H \r\n> ATOM 3767 1HB SER A 242 -6.240 37.008 -19.081 1.00 0.00 H \r\n> ATOM 3768 2HB SER A 242 -5.498 38.059 -17.854 1.00 0.00 H \r\n> ATOM 3769 HG SER A 242 -3.958 36.383 -17.514 1.00 0.00 H \r\n> ATOM 3770 N ILE A 243 -4.919 35.118 -15.619 1.00 0.00 N \r\n> ATOM 3771 CA ILE A 243 -4.116 34.931 -14.424 1.00 0.00 C \r\n> ATOM 3772 C ILE A 243 -3.281 36.150 -14.056 1.00 0.00 C \r\n> ATOM 3773 O ILE A 243 -3.483 36.721 -12.982 1.00 0.00 O \r\n> ATOM 3774 CB ILE A 243 -3.184 33.718 -14.596 1.00 0.00 C \r\n> ATOM 3775 CG1 ILE A 243 -4.000 32.426 -14.684 1.00 0.00 C \r\n> ATOM 3776 CG2 ILE A 243 -2.188 33.645 -13.449 1.00 0.00 C \r\n> ATOM 3777 CD1 ILE A 243 -3.214 31.240 -15.196 1.00 0.00 C \r\n> ATOM 3778 H ILE A 243 -4.889 34.418 -16.347 1.00 0.00 H \r\n> ATOM 3779 HA ILE A 243 -4.753 34.789 -13.552 1.00 0.00 H \r\n> ATOM 3780 HB ILE A 243 -2.637 33.809 -15.534 1.00 0.00 H \r\n> ATOM 3781 1HG1 ILE A 243 -4.392 32.175 -13.698 1.00 0.00 H \r\n> ATOM 3782 2HG1 ILE A 243 -4.854 32.579 -15.344 1.00 0.00 H \r\n> ATOM 3783 1HG2 ILE A 243 -1.537 32.782 -13.586 1.00 0.00 H \r\n> ATOM 3784 2HG2 ILE A 243 -1.587 34.553 -13.432 1.00 0.00 H \r\n> ATOM 3785 3HG2 ILE A 243 -2.726 33.548 -12.506 1.00 0.00 H \r\n> ATOM 3786 1HD1 ILE A 243 -3.860 30.363 -15.231 1.00 0.00 H \r\n> ATOM 3787 2HD1 ILE A 243 -2.842 31.456 -16.199 1.00 0.00 H \r\n> ATOM 3788 3HD1 ILE A 243 -2.374 31.046 -14.531 1.00 0.00 H \r\n> ATOM 3789 N ILE A 244 -2.395 36.615 -14.963 1.00 0.00 N \r\n> ATOM 3790 CA ILE A 244 -1.462 37.675 -14.594 1.00 0.00 C \r\n> ATOM 3791 C ILE A 244 -2.140 38.977 -14.177 1.00 0.00 C \r\n> ATOM 3792 O ILE A 244 -1.671 39.709 -13.319 1.00 0.00 O \r\n> ATOM 3793 CB ILE A 244 -0.502 37.966 -15.761 1.00 0.00 C \r\n> ATOM 3794 CG1 ILE A 244 0.664 38.839 -15.289 1.00 0.00 C \r\n> ATOM 3795 CG2 ILE A 244 -1.245 38.638 -16.906 1.00 0.00 C \r\n> ATOM 3796 CD1 ILE A 244 1.856 38.820 -16.218 1.00 0.00 C \r\n> ATOM 3797 H ILE A 244 -2.367 36.239 -15.900 1.00 0.00 H \r\n> ATOM 3798 HA ILE A 244 -0.943 37.424 -13.670 1.00 0.00 H \r\n> ATOM 3799 HB ILE A 244 -0.071 37.032 -16.119 1.00 0.00 H \r\n> ATOM 3800 1HG1 ILE A 244 0.327 39.871 -15.187 1.00 0.00 H \r\n> ATOM 3801 2HG1 ILE A 244 0.994 38.505 -14.305 1.00 0.00 H \r\n> ATOM 3802 1HG2 ILE A 244 -0.551 38.838 -17.723 1.00 0.00 H \r\n> ATOM 3803 2HG2 ILE A 244 -2.040 37.983 -17.258 1.00 0.00 H \r\n> ATOM 3804 3HG2 ILE A 244 -1.676 39.578 -16.559 1.00 0.00 H \r\n> ATOM 3805 1HD1 ILE A 244 2.641 39.462 -15.816 1.00 0.00 H \r\n> ATOM 3806 2HD1 ILE A 244 2.232 37.800 -16.307 1.00 0.00 H \r\n> ATOM 3807 3HD1 ILE A 244 1.558 39.185 -17.200 1.00 0.00 H \r\n> ATOM 3808 N THR A 245 -3.355 39.143 -14.688 1.00 0.00 N \r\n> ATOM 3809 CA THR A 245 -4.268 40.269 -14.509 1.00 0.00 C \r\n> ATOM 3810 C THR A 245 -5.189 40.181 -13.285 1.00 0.00 C \r\n> ATOM 3811 O THR A 245 -5.649 41.192 -12.749 1.00 0.00 O \r\n> ATOM 3812 CB THR A 245 -5.137 40.441 -15.768 1.00 0.00 C \r\n> ATOM 3813 OG1 THR A 245 -6.043 39.336 -15.881 1.00 0.00 O \r\n> ATOM 3814 CG2 THR A 245 -4.266 40.507 -17.013 1.00 0.00 C \r\n> ATOM 3815 H THR A 245 -3.640 38.365 -15.266 1.00 0.00 H \r\n> ATOM 3816 HA THR A 245 -3.699 41.174 -14.292 1.00 0.00 H \r\n> ATOM 3817 HB THR A 245 -5.716 41.361 -15.688 1.00 0.00 H \r\n> ATOM 3818 HG1 THR A 245 -5.906 38.734 -15.146 1.00 0.00 H \r\n> ATOM 3819 1HG2 THR A 245 -4.897 40.629 -17.893 1.00 0.00 H \r\n> ATOM 3820 2HG2 THR A 245 -3.584 41.354 -16.935 1.00 0.00 H \r\n> ATOM 3821 3HG2 THR A 245 -3.692 39.586 -17.104 1.00 0.00 H \r\n> ATOM 3822 N THR A 246 -5.445 38.963 -12.793 1.00 0.00 N \r\n> ATOM 3823 CA THR A 246 -6.388 38.732 -11.709 1.00 0.00 C \r\n> ATOM 3824 C THR A 246 -5.713 38.295 -10.425 1.00 0.00 C \r\n> ATOM 3825 O THR A 246 -6.108 38.837 -9.394 1.00 0.00 O \r\n> ATOM 3826 CB THR A 246 -7.435 37.677 -12.113 1.00 0.00 C \r\n> ATOM 3827 OG1 THR A 246 -8.073 38.077 -13.333 1.00 0.00 O \r\n> ATOM 3828 CG2 THR A 246 -8.484 37.522 -11.023 1.00 0.00 C \r\n> ATOM 3829 H THR A 246 -4.959 38.176 -13.197 1.00 0.00 H \r\n> ATOM 3830 HA THR A 246 -6.886 39.667 -11.448 1.00 0.00 H \r\n> ATOM 3831 HB THR A 246 -6.942 36.719 -12.274 1.00 0.00 H \r\n> ATOM 3832 HG1 THR A 246 -7.531 37.811 -14.079 1.00 0.00 H \r\n> ATOM 3833 1HG2 THR A 246 -9.215 36.773 -11.326 1.00 0.00 H \r\n> ATOM 3834 2HG2 THR A 246 -8.003 37.208 -10.097 1.00 0.00 H \r\n> ATOM 3835 3HG2 THR A 246 -8.987 38.475 -10.864 1.00 0.00 H \r\n> ATOM 3836 N ILE A 247 -4.742 37.363 -10.338 1.00 0.00 N \r\n> ATOM 3837 CA ILE A 247 -4.074 37.142 -9.053 1.00 0.00 C \r\n> ATOM 3838 C ILE A 247 -2.783 37.916 -9.040 1.00 0.00 C \r\n> ATOM 3839 O ILE A 247 -2.602 38.777 -8.194 1.00 0.00 O \r\n> ATOM 3840 CB ILE A 247 -3.789 35.650 -8.801 1.00 0.00 C \r\n> ATOM 3841 CG1 ILE A 247 -5.100 34.875 -8.646 1.00 0.00 C \r\n> ATOM 3842 CG2 ILE A 247 -2.916 35.476 -7.568 1.00 0.00 C \r\n> ATOM 3843 CD1 ILE A 247 -4.910 33.393 -8.418 1.00 0.00 C \r\n> ATOM 3844 H ILE A 247 -4.463 36.813 -11.138 1.00 0.00 H \r\n> ATOM 3845 HA ILE A 247 -4.722 37.437 -8.228 1.00 0.00 H \r\n> ATOM 3846 HB ILE A 247 -3.273 35.228 -9.662 1.00 0.00 H \r\n> ATOM 3847 1HG1 ILE A 247 -5.665 35.280 -7.807 1.00 0.00 H \r\n> ATOM 3848 2HG1 ILE A 247 -5.708 35.006 -9.542 1.00 0.00 H \r\n> ATOM 3849 1HG2 ILE A 247 -2.725 34.416 -7.404 1.00 0.00 H \r\n> ATOM 3850 2HG2 ILE A 247 -1.970 35.997 -7.716 1.00 0.00 H \r\n> ATOM 3851 3HG2 ILE A 247 -3.426 35.891 -6.699 1.00 0.00 H \r\n> ATOM 3852 1HD1 ILE A 247 -5.883 32.912 -8.319 1.00 0.00 H \r\n> ATOM 3853 2HD1 ILE A 247 -4.376 32.960 -9.265 1.00 0.00 H \r\n> ATOM 3854 3HD1 ILE A 247 -4.334 33.236 -7.507 1.00 0.00 H \r\n> ATOM 3855 N TYR A 248 -1.758 37.092 -9.922 1.00 0.00 N \r\n> ATOM 3856 CA TYR A 248 -0.506 37.737 -10.222 1.00 0.00 C \r\n> ATOM 3857 C TYR A 248 0.282 36.960 -11.244 1.00 0.00 C \r\n> ATOM 3858 O TYR A 248 -0.143 35.897 -11.673 1.00 0.00 O \r\n> ATOM 3859 CB TYR A 248 0.319 37.921 -8.946 1.00 0.00 C \r\n> ATOM 3860 CG TYR A 248 1.211 36.743 -8.621 1.00 0.00 C \r\n> ATOM 3861 CD1 TYR A 248 2.553 36.947 -8.336 1.00 0.00 C \r\n> ATOM 3862 CD2 TYR A 248 0.686 35.459 -8.606 1.00 0.00 C \r\n> ATOM 3863 CE1 TYR A 248 3.367 35.871 -8.039 1.00 0.00 C \r\n> ATOM 3864 CE2 TYR A 248 1.500 34.384 -8.309 1.00 0.00 C \r\n> ATOM 3865 CZ TYR A 248 2.836 34.587 -8.026 1.00 0.00 C \r\n> ATOM 3866 OH TYR A 248 3.647 33.515 -7.730 1.00 0.00 O \r\n> ATOM 3867 H TYR A 248 -1.870 36.111 -10.134 1.00 0.00 H \r\n> ATOM 3868 HA TYR A 248 -0.690 38.732 -10.627 1.00 0.00 H \r\n> ATOM 3869 1HB TYR A 248 0.948 38.807 -9.043 1.00 0.00 H \r\n> ATOM 3870 2HB TYR A 248 -0.350 38.085 -8.102 1.00 0.00 H \r\n> ATOM 3871 HD1 TYR A 248 2.965 37.956 -8.348 1.00 0.00 H \r\n> ATOM 3872 HD2 TYR A 248 -0.369 35.299 -8.831 1.00 0.00 H \r\n> ATOM 3873 HE1 TYR A 248 4.422 36.032 -7.816 1.00 0.00 H \r\n> ATOM 3874 HE2 TYR A 248 1.088 33.374 -8.299 1.00 0.00 H \r\n> ATOM 3875 HH TYR A 248 3.136 32.704 -7.785 1.00 0.00 H \r\n> ATOM 3876 N GLN A 249 1.459 37.444 -11.601 1.00 0.00 N \r\n> ATOM 3877 CA GLN A 249 2.250 36.784 -12.602 1.00 0.00 C \r\n> ATOM 3878 C GLN A 249 2.617 35.401 -12.108 1.00 0.00 C \r\n> ATOM 3879 O GLN A 249 3.033 35.194 -10.973 1.00 0.00 O \r\n> ATOM 3880 CB GLN A 249 3.507 37.595 -12.926 1.00 0.00 C \r\n> ATOM 3881 CG GLN A 249 4.364 36.999 -14.030 1.00 0.00 C \r\n> ATOM 3882 CD GLN A 249 5.502 37.916 -14.439 1.00 0.00 C \r\n> ATOM 3883 OE1 GLN A 249 6.078 38.622 -13.606 1.00 0.00 O \r\n> ATOM 3884 NE2 GLN A 249 5.831 37.912 -15.725 1.00 0.00 N \r\n> ATOM 3885 H GLN A 249 1.813 38.286 -11.170 1.00 0.00 H \r\n> ATOM 3886 HA GLN A 249 1.663 36.667 -13.513 1.00 0.00 H \r\n> ATOM 3887 1HB GLN A 249 3.223 38.603 -13.228 1.00 0.00 H \r\n> ATOM 3888 2HB GLN A 249 4.124 37.683 -12.032 1.00 0.00 H \r\n> ATOM 3889 1HG GLN A 249 4.792 36.061 -13.678 1.00 0.00 H \r\n> ATOM 3890 2HG GLN A 249 3.739 36.820 -14.905 1.00 0.00 H \r\n> ATOM 3891 1HE2 GLN A 249 6.574 38.497 -16.054 1.00 0.00 H \r\n> ATOM 3892 2HE2 GLN A 249 5.337 37.325 -16.366 1.00 0.00 H \r\n> ATOM 3893 N ALA A 250 2.511 34.384 -12.953 1.00 0.00 N \r\n> ATOM 3894 CA ALA A 250 2.850 33.022 -12.575 1.00 0.00 C \r\n> ATOM 3895 C ALA A 250 3.363 32.283 -13.806 1.00 0.00 C \r\n> ATOM 3896 O ALA A 250 2.646 32.184 -14.811 1.00 0.00 O \r\n> ATOM 3897 CB ALA A 250 1.649 32.309 -11.970 1.00 0.00 C \r\n> ATOM 3898 H ALA A 250 2.182 34.567 -13.890 1.00 0.00 H \r\n> ATOM 3899 HA ALA A 250 3.583 33.055 -11.768 1.00 0.00 H \r\n> ATOM 3900 1HB ALA A 250 1.925 31.286 -11.712 1.00 0.00 H \r\n> ATOM 3901 2HB ALA A 250 1.328 32.836 -11.072 1.00 0.00 H \r\n> ATOM 3902 3HB ALA A 250 0.835 32.293 -12.693 1.00 0.00 H \r\n> ATOM 3903 N SER A 251 4.577 31.730 -13.802 1.00 0.00 N \r\n> ATOM 3904 CA SER A 251 5.022 31.044 -15.017 1.00 0.00 C \r\n> ATOM 3905 C SER A 251 4.968 29.528 -14.862 1.00 0.00 C \r\n> ATOM 3906 O SER A 251 5.011 29.010 -13.748 1.00 0.00 O \r\n> ATOM 3907 CB SER A 251 6.434 31.471 -15.367 1.00 0.00 C \r\n> ATOM 3908 OG SER A 251 7.336 31.095 -14.363 1.00 0.00 O \r\n> ATOM 3909 H SER A 251 5.195 31.766 -13.004 1.00 0.00 H \r\n> ATOM 3910 HA SER A 251 4.479 31.352 -15.911 1.00 0.00 H \r\n> ATOM 3911 1HB SER A 251 6.728 31.016 -16.313 1.00 0.00 H \r\n> ATOM 3912 2HB SER A 251 6.465 32.552 -15.501 1.00 0.00 H \r\n> ATOM 3913 HG SER A 251 8.046 31.740 -14.389 1.00 0.00 H \r\n> ATOM 3914 N GLY A 252 4.885 28.756 -15.951 1.00 0.00 N \r\n> ATOM 3915 CA GLY A 252 4.841 27.323 -15.808 1.00 0.00 C \r\n> ATOM 3916 C GLY A 252 3.527 26.795 -15.236 1.00 0.00 C \r\n> ATOM 3917 O GLY A 252 3.493 25.673 -14.740 1.00 0.00 O \r\n> ATOM 3918 H GLY A 252 4.853 29.159 -16.877 1.00 0.00 H \r\n> ATOM 3919 1HA GLY A 252 4.983 26.862 -16.786 1.00 0.00 H \r\n> ATOM 3920 2HA GLY A 252 5.641 27.007 -15.140 1.00 0.00 H \r\n> ATOM 3921 N GLY A 253 2.432 27.555 -15.303 1.00 0.00 N \r\n> ATOM 3922 CA GLY A 253 1.125 27.105 -14.832 1.00 0.00 C \r\n3940,3943c3940,3943\r\n< ATOM 3924 O GLY A 253 0.621 26.163 -16.968 1.00 0.00 O \r\n< ATOM 3925 H GLY A 253 2.538 28.481 -15.666 1.00 0.00 H \r\n< ATOM 3926 1HA GLY A 253 1.221 26.651 -13.849 1.00 0.00 H \r\n< ATOM 3927 2HA GLY A 253 0.459 27.973 -14.765 1.00 0.00 H \r\n---\r\n> ATOM 3924 O GLY A 253 0.617 26.166 -16.969 1.00 0.00 O \r\n> ATOM 3925 H GLY A 253 2.520 28.481 -15.698 1.00 0.00 H \r\n> ATOM 3926 1HA GLY A 253 1.240 26.640 -13.853 1.00 0.00 H \r\n> ATOM 3927 2HA GLY A 253 0.461 27.965 -14.750 1.00 0.00 H \r\n3960,3962c3960,3962\r\n< ATOM 3944 CG1 ILE A 255 -5.647 26.350 -16.326 1.00 0.00 C \r\n< ATOM 3945 CG2 ILE A 255 -5.201 28.055 -18.112 1.00 0.00 C \r\n< ATOM 3946 CD1 ILE A 255 -6.358 25.308 -17.160 1.00 0.00 C \r\n---\r\n> ATOM 3944 CG1 ILE A 255 -5.646 26.350 -16.325 1.00 0.00 C \r\n> ATOM 3945 CG2 ILE A 255 -5.202 28.053 -18.113 1.00 0.00 C \r\n> ATOM 3946 CD1 ILE A 255 -6.358 25.308 -17.157 1.00 0.00 C \r\n3965,3973c3965,3973\r\n< ATOM 3949 HB ILE A 255 -4.028 27.718 -16.355 1.00 0.00 H \r\n< ATOM 3950 1HG1 ILE A 255 -5.198 25.851 -15.468 1.00 0.00 H \r\n< ATOM 3951 2HG1 ILE A 255 -6.393 27.047 -15.945 1.00 0.00 H \r\n< ATOM 3952 1HG2 ILE A 255 -5.886 28.736 -17.609 1.00 0.00 H \r\n< ATOM 3953 2HG2 ILE A 255 -4.421 28.628 -18.612 1.00 0.00 H \r\n< ATOM 3954 3HG2 ILE A 255 -5.749 27.468 -18.849 1.00 0.00 H \r\n< ATOM 3955 1HD1 ILE A 255 -7.107 24.803 -16.550 1.00 0.00 H \r\n< ATOM 3956 2HD1 ILE A 255 -6.845 25.791 -18.007 1.00 0.00 H \r\n< ATOM 3957 3HD1 ILE A 255 -5.636 24.578 -17.523 1.00 0.00 H \r\n---\r\n> ATOM 3949 HB ILE A 255 -4.027 27.719 -16.356 1.00 0.00 H \r\n> ATOM 3950 1HG1 ILE A 255 -5.196 25.851 -15.467 1.00 0.00 H \r\n> ATOM 3951 2HG1 ILE A 255 -6.392 27.047 -15.942 1.00 0.00 H \r\n> ATOM 3952 1HG2 ILE A 255 -5.887 28.735 -17.609 1.00 0.00 H \r\n> ATOM 3953 2HG2 ILE A 255 -4.423 28.627 -18.614 1.00 0.00 H \r\n> ATOM 3954 3HG2 ILE A 255 -5.751 27.466 -18.849 1.00 0.00 H \r\n> ATOM 3955 1HD1 ILE A 255 -7.107 24.803 -16.546 1.00 0.00 H \r\n> ATOM 3956 2HD1 ILE A 255 -6.847 25.791 -18.004 1.00 0.00 H \r\n> ATOM 3957 3HD1 ILE A 255 -5.636 24.578 -17.522 1.00 0.00 H \r\n4178,4179c4178,4179\r\n< ATOM 4162 OG1 THR A 268 -6.142 27.023 -13.411 1.00 0.00 O \r\n< ATOM 4163 CG2 THR A 268 -6.873 27.853 -11.269 1.00 0.00 C \r\n---\r\n> ATOM 4162 OG1 THR A 268 -6.141 27.031 -13.422 1.00 0.00 O \r\n> ATOM 4163 CG2 THR A 268 -6.869 27.839 -11.270 1.00 0.00 C \r\n4182,4186c4182,4186\r\n< ATOM 4166 HB THR A 268 -6.860 28.932 -13.120 1.00 0.00 H \r\n< ATOM 4167 HG1 THR A 268 -6.445 26.119 -13.299 1.00 0.00 H \r\n< ATOM 4168 1HG2 THR A 268 -5.850 28.132 -11.020 1.00 0.00 H \r\n< ATOM 4169 2HG2 THR A 268 -7.566 28.540 -10.785 1.00 0.00 H \r\n< ATOM 4170 3HG2 THR A 268 -7.067 26.839 -10.922 1.00 0.00 H \r\n---\r\n> ATOM 4166 HB THR A 268 -6.863 28.936 -13.111 1.00 0.00 H \r\n> ATOM 4167 HG1 THR A 268 -6.463 26.129 -13.353 1.00 0.00 H \r\n> ATOM 4168 1HG2 THR A 268 -5.846 28.119 -11.021 1.00 0.00 H \r\n> ATOM 4169 2HG2 THR A 268 -7.562 28.521 -10.778 1.00 0.00 H \r\n> ATOM 4170 3HG2 THR A 268 -7.060 26.822 -10.932 1.00 0.00 H \r\n4212,4215c4212,4215\r\n< ATOM 4196 CG GLU A 270 -8.025 31.063 -7.992 1.00 0.00 C \r\n< ATOM 4197 CD GLU A 270 -6.738 30.331 -7.729 1.00 0.00 C \r\n< ATOM 4198 OE1 GLU A 270 -6.437 30.092 -6.584 1.00 0.00 O \r\n< ATOM 4199 OE2 GLU A 270 -6.056 30.012 -8.673 1.00 0.00 O \r\n---\r\n> ATOM 4196 CG GLU A 270 -7.969 31.027 -7.943 1.00 0.00 C \r\n> ATOM 4197 CD GLU A 270 -6.749 30.195 -7.661 1.00 0.00 C \r\n> ATOM 4198 OE1 GLU A 270 -6.507 29.897 -6.516 1.00 0.00 O \r\n> ATOM 4199 OE2 GLU A 270 -6.057 29.857 -8.593 1.00 0.00 O \r\n4218,4221c4218,4221\r\n< ATOM 4202 1HB GLU A 270 -9.789 31.645 -6.958 1.00 0.00 H \r\n< ATOM 4203 2HB GLU A 270 -8.575 30.874 -5.947 1.00 0.00 H \r\n< ATOM 4204 1HG GLU A 270 -8.425 30.736 -8.952 1.00 0.00 H \r\n< ATOM 4205 2HG GLU A 270 -7.824 32.131 -8.058 1.00 0.00 H \r\n---\r\n> ATOM 4202 1HB GLU A 270 -9.782 31.647 -7.019 1.00 0.00 H \r\n> ATOM 4203 2HB GLU A 270 -8.626 30.901 -5.924 1.00 0.00 H \r\n> ATOM 4204 1HG GLU A 270 -8.352 30.766 -8.929 1.00 0.00 H \r\n> ATOM 4205 2HG GLU A 270 -7.690 32.079 -7.958 1.00 0.00 H \r\n4246,4251c4246,4251\r\n< ATOM 4230 CG ARG A 272 -16.210 30.053 -1.274 1.00 0.00 C \r\n< ATOM 4231 CD ARG A 272 -17.475 29.742 -0.560 1.00 0.00 C \r\n< ATOM 4232 NE ARG A 272 -17.602 30.373 0.744 1.00 0.00 N \r\n< ATOM 4233 CZ ARG A 272 -18.241 29.830 1.798 1.00 0.00 C \r\n< ATOM 4234 NH1 ARG A 272 -18.844 28.666 1.698 1.00 0.00 N \r\n< ATOM 4235 NH2 ARG A 272 -18.267 30.510 2.931 1.00 0.00 N \r\n---\r\n> ATOM 4230 CG ARG A 272 -16.211 30.035 -1.283 1.00 0.00 C \r\n> ATOM 4231 CD ARG A 272 -17.472 29.779 -0.541 1.00 0.00 C \r\n> ATOM 4232 NE ARG A 272 -17.538 30.403 0.770 1.00 0.00 N \r\n> ATOM 4233 CZ ARG A 272 -18.180 29.884 1.834 1.00 0.00 C \r\n> ATOM 4234 NH1 ARG A 272 -18.844 28.753 1.739 1.00 0.00 N \r\n> ATOM 4235 NH2 ARG A 272 -18.146 30.554 2.973 1.00 0.00 N \r\n4254,4264c4254,4264\r\n< ATOM 4238 1HB ARG A 272 -15.004 28.508 -0.408 1.00 0.00 H \r\n< ATOM 4239 2HB ARG A 272 -14.888 30.083 0.411 1.00 0.00 H \r\n< ATOM 4240 1HG ARG A 272 -16.155 31.134 -1.403 1.00 0.00 H \r\n< ATOM 4241 2HG ARG A 272 -16.249 29.572 -2.253 1.00 0.00 H \r\n< ATOM 4242 1HD ARG A 272 -18.316 30.075 -1.167 1.00 0.00 H \r\n< ATOM 4243 2HD ARG A 272 -17.541 28.665 -0.409 1.00 0.00 H \r\n< ATOM 4244 HE ARG A 272 -17.256 31.268 1.062 1.00 0.00 H \r\n< ATOM 4245 1HH1 ARG A 272 -18.830 28.167 0.820 1.00 0.00 H \r\n< ATOM 4246 2HH1 ARG A 272 -19.317 28.276 2.500 1.00 0.00 H \r\n< ATOM 4247 1HH2 ARG A 272 -17.813 31.412 2.985 1.00 0.00 H \r\n< ATOM 4248 2HH2 ARG A 272 -18.739 30.127 3.736 1.00 0.00 H \r\n---\r\n> ATOM 4238 1HB ARG A 272 -14.997 28.510 -0.395 1.00 0.00 H \r\n> ATOM 4239 2HB ARG A 272 -14.894 30.095 0.405 1.00 0.00 H \r\n> ATOM 4240 1HG ARG A 272 -16.142 31.108 -1.466 1.00 0.00 H \r\n> ATOM 4241 2HG ARG A 272 -16.268 29.507 -2.236 1.00 0.00 H \r\n> ATOM 4242 1HD ARG A 272 -18.311 30.157 -1.125 1.00 0.00 H \r\n> ATOM 4243 2HD ARG A 272 -17.586 28.705 -0.397 1.00 0.00 H \r\n> ATOM 4244 HE ARG A 272 -17.140 31.277 1.088 1.00 0.00 H \r\n> ATOM 4245 1HH1 ARG A 272 -18.875 28.262 0.856 1.00 0.00 H \r\n> ATOM 4246 2HH1 ARG A 272 -19.319 28.380 2.548 1.00 0.00 H \r\n> ATOM 4247 1HH2 ARG A 272 -17.646 31.431 3.024 1.00 0.00 H \r\n> ATOM 4248 2HH2 ARG A 272 -18.619 30.188 3.785 1.00 0.00 H \r\n4293,4294c4293,4294\r\n< ATOM 4277 C GLY A 275 -9.349 34.895 4.677 1.00 0.00 C \r\n< ATOM 4278 O GLY A 275 -8.441 34.754 5.516 1.00 0.00 O \r\n---\r\n> ATOM 4277 C GLY A 275 -9.352 34.909 4.677 1.00 0.00 C \r\n> ATOM 4278 O GLY A 275 -8.446 34.790 5.520 1.00 0.00 O \r\n4296,4388c4296,4388\r\n< ATOM 4280 1HA GLY A 275 -8.088 34.268 3.106 1.00 0.00 H \r\n< ATOM 4281 2HA GLY A 275 -8.542 35.987 3.061 1.00 0.00 H \r\n< ATOM 4282 N ARG A 276 -10.646 34.986 5.012 1.00 0.00 N \r\n< ATOM 4283 CA ARG A 276 -11.045 34.858 6.411 1.00 0.00 C \r\n< ATOM 4284 C ARG A 276 -10.541 33.560 6.978 1.00 0.00 C \r\n< ATOM 4285 O ARG A 276 -9.871 33.607 8.006 1.00 0.00 O \r\n< ATOM 4286 CB ARG A 276 -12.565 34.887 6.618 1.00 0.00 C \r\n< ATOM 4287 CG ARG A 276 -12.955 34.712 8.102 1.00 0.00 C \r\n< ATOM 4288 CD ARG A 276 -14.467 34.924 8.340 1.00 0.00 C \r\n< ATOM 4289 NE ARG A 276 -15.348 34.043 7.563 1.00 0.00 N \r\n< ATOM 4290 CZ ARG A 276 -16.666 34.294 7.372 1.00 0.00 C \r\n< ATOM 4291 NH1 ARG A 276 -17.204 35.410 7.886 1.00 0.00 N \r\n< ATOM 4292 NH2 ARG A 276 -17.452 33.442 6.666 1.00 0.00 N \r\n< ATOM 4293 H ARG A 276 -11.356 35.142 4.311 1.00 0.00 H \r\n< ATOM 4294 HA ARG A 276 -10.671 35.709 6.980 1.00 0.00 H \r\n< ATOM 4295 1HB ARG A 276 -12.921 35.844 6.239 1.00 0.00 H \r\n< ATOM 4296 2HB ARG A 276 -12.984 34.080 6.016 1.00 0.00 H \r\n< ATOM 4297 1HG ARG A 276 -12.684 33.704 8.416 1.00 0.00 H \r\n< ATOM 4298 2HG ARG A 276 -12.397 35.439 8.694 1.00 0.00 H \r\n< ATOM 4299 1HD ARG A 276 -14.688 34.751 9.394 1.00 0.00 H \r\n< ATOM 4300 2HD ARG A 276 -14.726 35.950 8.079 1.00 0.00 H \r\n< ATOM 4301 HE ARG A 276 -15.136 33.179 7.084 1.00 0.00 H \r\n< ATOM 4302 1HH1 ARG A 276 -16.625 36.052 8.409 1.00 0.00 H \r\n< ATOM 4303 2HH1 ARG A 276 -18.185 35.603 7.748 1.00 0.00 H \r\n< ATOM 4304 1HH2 ARG A 276 -17.053 32.601 6.271 1.00 0.00 H \r\n< ATOM 4305 2HH2 ARG A 276 -18.431 33.651 6.538 1.00 0.00 H \r\n< ATOM 4306 N TYR A 277 -10.799 32.391 6.374 1.00 0.00 N \r\n< ATOM 4307 CA TYR A 277 -10.239 31.141 6.839 1.00 0.00 C \r\n< ATOM 4308 C TYR A 277 -9.115 30.717 5.909 1.00 0.00 C \r\n< ATOM 4309 O TYR A 277 -8.224 29.969 6.315 1.00 0.00 O \r\n< ATOM 4310 CB TYR A 277 -11.317 30.058 6.922 1.00 0.00 C \r\n< ATOM 4311 CG TYR A 277 -12.377 30.330 7.967 1.00 0.00 C \r\n< ATOM 4312 CD1 TYR A 277 -13.614 30.831 7.586 1.00 0.00 C \r\n< ATOM 4313 CD2 TYR A 277 -12.113 30.080 9.305 1.00 0.00 C \r\n< ATOM 4314 CE1 TYR A 277 -14.582 31.079 8.540 1.00 0.00 C \r\n< ATOM 4315 CE2 TYR A 277 -13.080 30.329 10.258 1.00 0.00 C \r\n< ATOM 4316 CZ TYR A 277 -14.311 30.826 9.880 1.00 0.00 C \r\n< ATOM 4317 OH TYR A 277 -15.275 31.074 10.830 1.00 0.00 O \r\n< ATOM 4318 H TYR A 277 -11.406 32.388 5.567 1.00 0.00 H \r\n< ATOM 4319 HA TYR A 277 -9.860 31.261 7.854 1.00 0.00 H \r\n< ATOM 4320 1HB TYR A 277 -11.811 29.960 5.954 1.00 0.00 H \r\n< ATOM 4321 2HB TYR A 277 -10.853 29.099 7.151 1.00 0.00 H \r\n< ATOM 4322 HD1 TYR A 277 -13.822 31.027 6.534 1.00 0.00 H \r\n< ATOM 4323 HD2 TYR A 277 -11.140 29.688 9.604 1.00 0.00 H \r\n< ATOM 4324 HE1 TYR A 277 -15.553 31.472 8.241 1.00 0.00 H \r\n< ATOM 4325 HE2 TYR A 277 -12.872 30.133 11.311 1.00 0.00 H \r\n< ATOM 4326 HH TYR A 277 -14.936 30.837 11.697 1.00 0.00 H \r\n< ATOM 4327 N GLY A 278 -9.079 31.161 4.651 1.00 0.00 N \r\n< ATOM 4328 CA GLY A 278 -8.006 30.785 3.728 1.00 0.00 C \r\n< ATOM 4329 C GLY A 278 -7.997 29.288 3.429 1.00 0.00 C \r\n< ATOM 4330 O GLY A 278 -9.023 28.729 3.052 1.00 0.00 O \r\n< ATOM 4331 H GLY A 278 -9.813 31.776 4.328 1.00 0.00 H \r\n< ATOM 4332 1HA GLY A 278 -8.139 31.323 2.789 1.00 0.00 H \r\n< ATOM 4333 2HA GLY A 278 -7.047 31.055 4.167 1.00 0.00 H \r\n< ATOM 4334 N PHE A 279 -6.848 28.666 3.628 1.00 0.00 N \r\n< ATOM 4335 CA PHE A 279 -6.718 27.229 3.367 1.00 0.00 C \r\n< ATOM 4336 C PHE A 279 -7.428 26.389 4.420 1.00 0.00 C \r\n< ATOM 4337 O PHE A 279 -7.705 25.205 4.215 1.00 0.00 O \r\n< ATOM 4338 CB PHE A 279 -5.243 26.830 3.312 1.00 0.00 C \r\n< ATOM 4339 CG PHE A 279 -4.465 27.530 2.234 1.00 0.00 C \r\n< ATOM 4340 CD1 PHE A 279 -3.387 28.342 2.553 1.00 0.00 C \r\n< ATOM 4341 CD2 PHE A 279 -4.810 27.379 0.900 1.00 0.00 C \r\n< ATOM 4342 CE1 PHE A 279 -2.671 28.987 1.562 1.00 0.00 C \r\n< ATOM 4343 CE2 PHE A 279 -4.095 28.021 -0.093 1.00 0.00 C \r\n< ATOM 4344 CZ PHE A 279 -3.025 28.827 0.240 1.00 0.00 C \r\n< ATOM 4345 H PHE A 279 -6.074 29.163 4.046 1.00 0.00 H \r\n< ATOM 4346 HA PHE A 279 -7.128 26.992 2.384 1.00 0.00 H \r\n< ATOM 4347 1HB PHE A 279 -4.771 27.049 4.269 1.00 0.00 H \r\n< ATOM 4348 2HB PHE A 279 -5.162 25.756 3.147 1.00 0.00 H \r\n< ATOM 4349 HD1 PHE A 279 -3.106 28.468 3.599 1.00 0.00 H \r\n< ATOM 4350 HD2 PHE A 279 -5.656 26.743 0.637 1.00 0.00 H \r\n< ATOM 4351 HE1 PHE A 279 -1.826 29.622 1.827 1.00 0.00 H \r\n< ATOM 4352 HE2 PHE A 279 -4.377 27.893 -1.138 1.00 0.00 H \r\n< ATOM 4353 HZ PHE A 279 -2.462 29.335 -0.542 1.00 0.00 H \r\n< ATOM 4354 N LEU A 280 -7.710 26.981 5.584 1.00 0.00 N \r\n< ATOM 4355 CA LEU A 280 -8.348 26.213 6.636 1.00 0.00 C \r\n< ATOM 4356 C LEU A 280 -9.848 26.445 6.674 1.00 0.00 C \r\n< ATOM 4357 O LEU A 280 -10.429 26.740 7.717 1.00 0.00 O \r\n< ATOM 4358 CB LEU A 280 -7.722 26.561 7.992 1.00 0.00 C \r\n< ATOM 4359 CG LEU A 280 -6.212 26.314 8.098 1.00 0.00 C \r\n< ATOM 4360 CD1 LEU A 280 -5.704 26.760 9.462 1.00 0.00 C \r\n< ATOM 4361 CD2 LEU A 280 -5.921 24.838 7.870 1.00 0.00 C \r\n< ATOM 4362 H LEU A 280 -7.489 27.953 5.749 1.00 0.00 H \r\n< ATOM 4363 HA LEU A 280 -8.201 25.149 6.452 1.00 0.00 H \r\n< ATOM 4364 1HB LEU A 280 -7.928 27.630 8.013 1.00 0.00 H \r\n< ATOM 4365 2HB LEU A 280 -8.246 26.075 8.815 1.00 0.00 H \r\n< ATOM 4366 HG LEU A 280 -5.735 26.875 7.294 1.00 0.00 H \r\n< ATOM 4367 1HD1 LEU A 280 -4.631 26.581 9.527 1.00 0.00 H \r\n< ATOM 4368 2HD1 LEU A 280 -5.901 27.824 9.594 1.00 0.00 H \r\n< ATOM 4369 3HD1 LEU A 280 -6.214 26.196 10.242 1.00 0.00 H \r\n< ATOM 4370 1HD2 LEU A 280 -4.847 24.664 7.944 1.00 0.00 H \r\n< ATOM 4371 2HD2 LEU A 280 -6.439 24.244 8.624 1.00 0.00 H \r\n< ATOM 4372 3HD2 LEU A 280 -6.268 24.547 6.878 1.00 0.00 H \r\n---\r\n> ATOM 4280 1HA GLY A 275 -8.092 34.261 3.113 1.00 0.00 H \r\n> ATOM 4281 2HA GLY A 275 -8.534 35.983 3.054 1.00 0.00 H \r\n> ATOM 4282 N ARG A 276 -10.652 34.989 5.007 1.00 0.00 N \r\n> ATOM 4283 CA ARG A 276 -11.053 34.877 6.406 1.00 0.00 C \r\n> ATOM 4284 C ARG A 276 -10.555 33.583 6.987 1.00 0.00 C \r\n> ATOM 4285 O ARG A 276 -9.865 33.640 8.001 1.00 0.00 O \r\n> ATOM 4286 CB ARG A 276 -12.574 34.914 6.611 1.00 0.00 C \r\n> ATOM 4287 CG ARG A 276 -12.967 34.749 8.094 1.00 0.00 C \r\n> ATOM 4288 CD ARG A 276 -14.483 34.936 8.324 1.00 0.00 C \r\n> ATOM 4289 NE ARG A 276 -15.344 34.010 7.578 1.00 0.00 N \r\n> ATOM 4290 CZ ARG A 276 -16.668 34.222 7.382 1.00 0.00 C \r\n> ATOM 4291 NH1 ARG A 276 -17.232 35.340 7.862 1.00 0.00 N \r\n> ATOM 4292 NH2 ARG A 276 -17.434 33.329 6.705 1.00 0.00 N \r\n> ATOM 4293 H ARG A 276 -11.362 35.126 4.301 1.00 0.00 H \r\n> ATOM 4294 HA ARG A 276 -10.677 35.733 6.967 1.00 0.00 H \r\n> ATOM 4295 1HB ARG A 276 -12.924 35.871 6.225 1.00 0.00 H \r\n> ATOM 4296 2HB ARG A 276 -12.995 34.106 6.012 1.00 0.00 H \r\n> ATOM 4297 1HG ARG A 276 -12.679 33.750 8.420 1.00 0.00 H \r\n> ATOM 4298 2HG ARG A 276 -12.424 35.492 8.681 1.00 0.00 H \r\n> ATOM 4299 1HD ARG A 276 -14.702 34.795 9.383 1.00 0.00 H \r\n> ATOM 4300 2HD ARG A 276 -14.764 35.947 8.027 1.00 0.00 H \r\n> ATOM 4301 HE ARG A 276 -15.111 33.137 7.125 1.00 0.00 H \r\n> ATOM 4302 1HH1 ARG A 276 -16.668 36.012 8.363 1.00 0.00 H \r\n> ATOM 4303 2HH1 ARG A 276 -18.218 35.505 7.720 1.00 0.00 H \r\n> ATOM 4304 1HH2 ARG A 276 -17.015 32.486 6.336 1.00 0.00 H \r\n> ATOM 4305 2HH2 ARG A 276 -18.418 33.510 6.573 1.00 0.00 H \r\n> ATOM 4306 N TYR A 277 -10.840 32.407 6.410 1.00 0.00 N \r\n> ATOM 4307 CA TYR A 277 -10.266 31.162 6.870 1.00 0.00 C \r\n> ATOM 4308 C TYR A 277 -9.152 30.744 5.925 1.00 0.00 C \r\n> ATOM 4309 O TYR A 277 -8.261 29.987 6.315 1.00 0.00 O \r\n> ATOM 4310 CB TYR A 277 -11.335 30.071 6.969 1.00 0.00 C \r\n> ATOM 4311 CG TYR A 277 -12.367 30.324 8.046 1.00 0.00 C \r\n> ATOM 4312 CD1 TYR A 277 -13.614 30.828 7.707 1.00 0.00 C \r\n> ATOM 4313 CD2 TYR A 277 -12.065 30.051 9.372 1.00 0.00 C \r\n> ATOM 4314 CE1 TYR A 277 -14.556 31.058 8.691 1.00 0.00 C \r\n> ATOM 4315 CE2 TYR A 277 -13.007 30.282 10.356 1.00 0.00 C \r\n> ATOM 4316 CZ TYR A 277 -14.248 30.783 10.019 1.00 0.00 C \r\n> ATOM 4317 OH TYR A 277 -15.186 31.013 10.999 1.00 0.00 O \r\n> ATOM 4318 H TYR A 277 -11.479 32.394 5.628 1.00 0.00 H \r\n> ATOM 4319 HA TYR A 277 -9.874 31.286 7.880 1.00 0.00 H \r\n> ATOM 4320 1HB TYR A 277 -11.855 29.983 6.014 1.00 0.00 H \r\n> ATOM 4321 2HB TYR A 277 -10.859 29.113 7.172 1.00 0.00 H \r\n> ATOM 4322 HD1 TYR A 277 -13.850 31.042 6.665 1.00 0.00 H \r\n> ATOM 4323 HD2 TYR A 277 -11.085 29.656 9.638 1.00 0.00 H \r\n> ATOM 4324 HE1 TYR A 277 -15.536 31.454 8.425 1.00 0.00 H \r\n> ATOM 4325 HE2 TYR A 277 -12.770 30.068 11.398 1.00 0.00 H \r\n> ATOM 4326 HH TYR A 277 -14.822 30.768 11.853 1.00 0.00 H \r\n> ATOM 4327 N GLY A 278 -9.123 31.204 4.673 1.00 0.00 N \r\n> ATOM 4328 CA GLY A 278 -8.051 30.847 3.741 1.00 0.00 C \r\n> ATOM 4329 C GLY A 278 -8.021 29.352 3.437 1.00 0.00 C \r\n> ATOM 4330 O GLY A 278 -9.033 28.783 3.040 1.00 0.00 O \r\n> ATOM 4331 H GLY A 278 -9.863 31.816 4.360 1.00 0.00 H \r\n> ATOM 4332 1HA GLY A 278 -8.199 31.386 2.805 1.00 0.00 H \r\n> ATOM 4333 2HA GLY A 278 -7.093 31.130 4.175 1.00 0.00 H \r\n> ATOM 4334 N PHE A 279 -6.860 28.690 3.648 1.00 0.00 N \r\n> ATOM 4335 CA PHE A 279 -6.709 27.254 3.390 1.00 0.00 C \r\n> ATOM 4336 C PHE A 279 -7.418 26.406 4.438 1.00 0.00 C \r\n> ATOM 4337 O PHE A 279 -7.655 25.212 4.243 1.00 0.00 O \r\n> ATOM 4338 CB PHE A 279 -5.228 26.873 3.351 1.00 0.00 C \r\n> ATOM 4339 CG PHE A 279 -4.444 27.600 2.295 1.00 0.00 C \r\n> ATOM 4340 CD1 PHE A 279 -3.450 28.502 2.647 1.00 0.00 C \r\n> ATOM 4341 CD2 PHE A 279 -4.698 27.384 0.949 1.00 0.00 C \r\n> ATOM 4342 CE1 PHE A 279 -2.728 29.171 1.676 1.00 0.00 C \r\n> ATOM 4343 CE2 PHE A 279 -3.977 28.050 -0.022 1.00 0.00 C \r\n> ATOM 4344 CZ PHE A 279 -2.991 28.945 0.342 1.00 0.00 C \r\n> ATOM 4345 H PHE A 279 -6.070 29.213 3.997 1.00 0.00 H \r\n> ATOM 4346 HA PHE A 279 -7.106 27.010 2.404 1.00 0.00 H \r\n> ATOM 4347 1HB PHE A 279 -4.773 27.084 4.318 1.00 0.00 H \r\n> ATOM 4348 2HB PHE A 279 -5.132 25.804 3.170 1.00 0.00 H \r\n> ATOM 4349 HD1 PHE A 279 -3.241 28.679 3.702 1.00 0.00 H \r\n> ATOM 4350 HD2 PHE A 279 -5.477 26.677 0.662 1.00 0.00 H \r\n> ATOM 4351 HE1 PHE A 279 -1.950 29.877 1.967 1.00 0.00 H \r\n> ATOM 4352 HE2 PHE A 279 -4.187 27.871 -1.077 1.00 0.00 H \r\n> ATOM 4353 HZ PHE A 279 -2.423 29.472 -0.423 1.00 0.00 H \r\n> ATOM 4354 N LEU A 280 -7.746 27.004 5.587 1.00 0.00 N \r\n> ATOM 4355 CA LEU A 280 -8.352 26.223 6.647 1.00 0.00 C \r\n> ATOM 4356 C LEU A 280 -9.863 26.372 6.665 1.00 0.00 C \r\n> ATOM 4357 O LEU A 280 -10.471 26.655 7.696 1.00 0.00 O \r\n> ATOM 4358 CB LEU A 280 -7.762 26.632 8.002 1.00 0.00 C \r\n> ATOM 4359 CG LEU A 280 -6.242 26.471 8.129 1.00 0.00 C \r\n> ATOM 4360 CD1 LEU A 280 -5.775 26.971 9.488 1.00 0.00 C \r\n> ATOM 4361 CD2 LEU A 280 -5.867 25.009 7.934 1.00 0.00 C \r\n> ATOM 4362 H LEU A 280 -7.581 27.990 5.734 1.00 0.00 H \r\n> ATOM 4363 HA LEU A 280 -8.145 25.165 6.486 1.00 0.00 H \r\n> ATOM 4364 1HB LEU A 280 -8.027 27.688 8.000 1.00 0.00 H \r\n> ATOM 4365 2HB LEU A 280 -8.267 26.134 8.830 1.00 0.00 H \r\n> ATOM 4366 HG LEU A 280 -5.787 27.042 7.318 1.00 0.00 H \r\n> ATOM 4367 1HD1 LEU A 280 -4.694 26.853 9.568 1.00 0.00 H \r\n> ATOM 4368 2HD1 LEU A 280 -6.032 28.025 9.597 1.00 0.00 H \r\n> ATOM 4369 3HD1 LEU A 280 -6.261 26.395 10.274 1.00 0.00 H \r\n> ATOM 4370 1HD2 LEU A 280 -4.786 24.897 8.022 1.00 0.00 H \r\n> ATOM 4371 2HD2 LEU A 280 -6.360 24.402 8.694 1.00 0.00 H \r\n> ATOM 4372 3HD2 LEU A 280 -6.186 24.680 6.944 1.00 0.00 H \r\n4811,4884c4811,4884\r\n< HETATM 4795 N1 CP1 X 1 2.008 35.093 -2.620 1.00 0.00 N \r\n< HETATM 4796 C19 CP1 X 1 1.033 35.416 -1.686 1.00 0.00 C \r\n< HETATM 4797 C27 CP1 X 1 -0.197 34.520 -1.799 1.00 0.00 C \r\n< HETATM 4798 C24 CP1 X 1 -1.304 35.163 -2.640 1.00 0.00 C \r\n< HETATM 4799 C16 CP1 X 1 -2.367 34.197 -3.104 1.00 0.00 C \r\n< HETATM 4800 C10 CP1 X 1 -2.221 33.534 -4.322 1.00 0.00 C \r\n< HETATM 4801 C4 CP1 X 1 -3.204 32.641 -4.752 1.00 0.00 C \r\n< HETATM 4802 C1 CP1 X 1 -4.330 32.412 -3.963 1.00 0.00 C \r\n< HETATM 4803 C5 CP1 X 1 -4.475 33.076 -2.745 1.00 0.00 C \r\n< HETATM 4804 C11 CP1 X 1 -3.494 33.968 -2.316 1.00 0.00 C \r\n< HETATM 4805 N2 CP1 X 1 -0.658 34.293 -0.450 1.00 0.00 N \r\n< HETATM 4806 C21 CP1 X 1 -0.185 33.281 0.361 1.00 0.00 C \r\n< HETATM 4807 O5 CP1 X 1 0.670 32.457 0.053 1.00 0.00 O \r\n< HETATM 4808 O7 CP1 X 1 -0.815 33.330 1.573 1.00 0.00 O \r\n< HETATM 4809 C26 CP1 X 1 -0.421 32.332 2.522 1.00 0.00 C \r\n< HETATM 4810 C18 CP1 X 1 -1.202 32.525 3.788 1.00 0.00 C \r\n< HETATM 4811 C14 CP1 X 1 -0.704 33.353 4.795 1.00 0.00 C \r\n< HETATM 4812 C8 CP1 X 1 -1.430 33.533 5.972 1.00 0.00 C \r\n< HETATM 4813 C3 CP1 X 1 -2.654 32.886 6.144 1.00 0.00 C \r\n< HETATM 4814 C9 CP1 X 1 -3.151 32.059 5.137 1.00 0.00 C \r\n< HETATM 4815 C15 CP1 X 1 -2.426 31.878 3.959 1.00 0.00 C \r\n< HETATM 4816 O3 CP1 X 1 1.136 36.302 -0.841 1.00 0.00 O \r\n< HETATM 4817 C30 CP1 X 1 3.289 35.777 -2.709 1.00 0.00 C \r\n< HETATM 4818 C29 CP1 X 1 4.405 34.881 -3.285 1.00 0.00 C \r\n< HETATM 4819 C22 CP1 X 1 4.678 33.632 -2.444 1.00 0.00 C \r\n< HETATM 4820 C23 CP1 X 1 4.109 34.479 -4.733 1.00 0.00 C \r\n< HETATM 4821 P1 CP1 X 1 2.962 37.307 -3.669 1.00 0.00 P \r\n< HETATM 4822 O2 CP1 X 1 4.302 37.851 -4.114 1.00 0.00 O \r\n< HETATM 4823 O6 CP1 X 1 1.836 37.047 -4.645 1.00 0.00 O \r\n< HETATM 4824 O8 CP1 X 1 2.342 38.237 -2.476 1.00 0.00 O \r\n< HETATM 4825 C28 CP1 X 1 1.941 39.557 -2.802 1.00 0.00 C \r\n< HETATM 4826 C20 CP1 X 1 3.220 40.408 -2.830 1.00 0.00 C \r\n< HETATM 4827 O1 CP1 X 1 3.811 40.494 -1.715 1.00 0.00 O \r\n< HETATM 4828 O4 CP1 X 1 3.537 40.913 -3.941 1.00 0.00 O \r\n< HETATM 4829 C25 CP1 X 1 0.899 40.019 -1.782 1.00 0.00 C \r\n< HETATM 4830 C17 CP1 X 1 0.046 41.149 -2.308 1.00 0.00 C \r\n< HETATM 4831 C12 CP1 X 1 0.442 42.472 -2.110 1.00 0.00 C \r\n< HETATM 4832 C6 CP1 X 1 -0.346 43.516 -2.596 1.00 0.00 C \r\n< HETATM 4833 C2 CP1 X 1 -1.528 43.236 -3.281 1.00 0.00 C \r\n< HETATM 4834 C7 CP1 X 1 -1.923 41.914 -3.481 1.00 0.00 C \r\n< HETATM 4835 C13 CP1 X 1 -1.135 40.871 -2.994 1.00 0.00 C \r\n< HETATM 4836 H32 CP1 X 1 1.817 34.341 -3.274 1.00 0.00 H \r\n< HETATM 4837 H28 CP1 X 1 0.094 33.539 -2.188 1.00 0.00 H \r\n< HETATM 4838 H22 CP1 X 1 -1.768 35.984 -2.076 1.00 0.00 H \r\n< HETATM 4839 H23 CP1 X 1 -0.869 35.632 -3.534 1.00 0.00 H \r\n< HETATM 4840 H10 CP1 X 1 -1.346 33.706 -4.944 1.00 0.00 H \r\n< HETATM 4841 H4 CP1 X 1 -3.090 32.124 -5.700 1.00 0.00 H \r\n< HETATM 4842 H1 CP1 X 1 -5.095 31.716 -4.297 1.00 0.00 H \r\n< HETATM 4843 H5 CP1 X 1 -5.353 32.897 -2.131 1.00 0.00 H \r\n< HETATM 4844 H11 CP1 X 1 -3.616 34.481 -1.365 1.00 0.00 H \r\n< HETATM 4845 H33 CP1 X 1 -1.370 34.914 -0.076 1.00 0.00 H \r\n< HETATM 4846 H26 CP1 X 1 0.654 32.420 2.707 1.00 0.00 H \r\n< HETATM 4847 H27 CP1 X 1 -0.610 31.340 2.099 1.00 0.00 H \r\n< HETATM 4848 H14 CP1 X 1 0.248 33.861 4.671 1.00 0.00 H \r\n< HETATM 4849 H8 CP1 X 1 -1.042 34.177 6.757 1.00 0.00 H \r\n< HETATM 4850 H3 CP1 X 1 -3.219 33.026 7.060 1.00 0.00 H \r\n< HETATM 4851 H9 CP1 X 1 -4.106 31.556 5.269 1.00 0.00 H \r\n< HETATM 4852 H15 CP1 X 1 -2.822 31.232 3.180 1.00 0.00 H \r\n< HETATM 4853 H31 CP1 X 1 3.592 36.100 -1.707 1.00 0.00 H \r\n< HETATM 4854 H30 CP1 X 1 5.330 35.472 -3.295 1.00 0.00 H \r\n< HETATM 4855 H16 CP1 X 1 3.800 32.982 -2.383 1.00 0.00 H \r\n< HETATM 4856 H17 CP1 X 1 4.981 33.898 -1.428 1.00 0.00 H \r\n< HETATM 4857 H18 CP1 X 1 5.494 33.046 -2.881 1.00 0.00 H \r\n< HETATM 4858 H19 CP1 X 1 3.193 33.883 -4.793 1.00 0.00 H \r\n< HETATM 4859 H20 CP1 X 1 3.968 35.368 -5.358 1.00 0.00 H \r\n< HETATM 4860 H21 CP1 X 1 4.927 33.895 -5.167 1.00 0.00 H \r\n< HETATM 4861 H29 CP1 X 1 1.510 39.542 -3.811 1.00 0.00 H \r\n< HETATM 4862 H24 CP1 X 1 1.389 40.347 -0.856 1.00 0.00 H \r\n< HETATM 4863 H25 CP1 X 1 0.238 39.188 -1.503 1.00 0.00 H \r\n< HETATM 4864 H12 CP1 X 1 1.361 42.699 -1.577 1.00 0.00 H \r\n< HETATM 4865 H6 CP1 X 1 -0.039 44.545 -2.441 1.00 0.00 H \r\n< HETATM 4866 H2 CP1 X 1 -2.141 44.050 -3.661 1.00 0.00 H \r\n< HETATM 4867 H7 CP1 X 1 -2.843 41.696 -4.015 1.00 0.00 H \r\n< HETATM 4868 H13 CP1 X 1 -1.451 39.842 -3.154 1.00 0.00 H \r\n---\r\n> HETATM 4795 N1 CP1 X 1 2.563 38.545 -3.629 1.00 0.00 N \r\n> HETATM 4796 C19 CP1 X 1 1.206 38.745 -3.423 1.00 0.00 C \r\n> HETATM 4797 C27 CP1 X 1 0.430 37.432 -3.356 1.00 0.00 C \r\n> HETATM 4798 C24 CP1 X 1 -0.198 37.063 -4.703 1.00 0.00 C \r\n> HETATM 4799 C16 CP1 X 1 -0.639 35.623 -4.805 1.00 0.00 C \r\n> HETATM 4800 C10 CP1 X 1 0.247 34.655 -5.276 1.00 0.00 C \r\n> HETATM 4801 C4 CP1 X 1 -0.161 33.323 -5.370 1.00 0.00 C \r\n> HETATM 4802 C1 CP1 X 1 -1.453 32.963 -4.993 1.00 0.00 C \r\n> HETATM 4803 C5 CP1 X 1 -2.339 33.931 -4.522 1.00 0.00 C \r\n> HETATM 4804 C11 CP1 X 1 -1.932 35.261 -4.427 1.00 0.00 C \r\n> HETATM 4805 N2 CP1 X 1 -0.596 37.619 -2.357 1.00 0.00 N \r\n> HETATM 4806 C21 CP1 X 1 -0.402 37.395 -1.009 1.00 0.00 C \r\n> HETATM 4807 O5 CP1 X 1 0.643 37.018 -0.488 1.00 0.00 O \r\n> HETATM 4808 O7 CP1 X 1 -1.556 37.660 -0.327 1.00 0.00 O \r\n> HETATM 4809 C26 CP1 X 1 -1.501 37.470 1.091 1.00 0.00 C \r\n> HETATM 4810 C18 CP1 X 1 -2.841 37.800 1.682 1.00 0.00 C \r\n> HETATM 4811 C14 CP1 X 1 -3.117 39.103 2.097 1.00 0.00 C \r\n> HETATM 4812 C8 CP1 X 1 -4.363 39.410 2.645 1.00 0.00 C \r\n> HETATM 4813 C3 CP1 X 1 -5.331 38.416 2.779 1.00 0.00 C \r\n> HETATM 4814 C9 CP1 X 1 -5.054 37.113 2.364 1.00 0.00 C \r\n> HETATM 4815 C15 CP1 X 1 -3.809 36.805 1.815 1.00 0.00 C \r\n> HETATM 4816 O3 CP1 X 1 0.670 39.842 -3.285 1.00 0.00 O \r\n> HETATM 4817 C30 CP1 X 1 3.530 39.630 -3.706 1.00 0.00 C \r\n> HETATM 4818 C29 CP1 X 1 4.944 39.202 -3.263 1.00 0.00 C \r\n> HETATM 4819 C22 CP1 X 1 5.007 38.716 -1.814 1.00 0.00 C \r\n> HETATM 4820 C23 CP1 X 1 5.524 38.135 -4.196 1.00 0.00 C \r\n> HETATM 4821 P1 CP1 X 1 3.423 40.260 -5.427 1.00 0.00 P \r\n> HETATM 4822 O2 CP1 X 1 4.649 41.112 -5.669 1.00 0.00 O \r\n> HETATM 4823 O6 CP1 X 1 3.040 39.122 -6.347 1.00 0.00 O \r\n> HETATM 4824 O8 CP1 X 1 2.098 41.206 -5.277 1.00 0.00 O \r\n> HETATM 4825 C28 CP1 X 1 1.650 41.909 -6.424 1.00 0.00 C \r\n> HETATM 4826 C20 CP1 X 1 2.547 43.149 -6.555 1.00 0.00 C \r\n> HETATM 4827 O1 CP1 X 1 2.450 43.965 -5.593 1.00 0.00 O \r\n> HETATM 4828 O4 CP1 X 1 3.272 43.214 -7.586 1.00 0.00 O \r\n> HETATM 4829 C25 CP1 X 1 0.162 42.223 -6.257 1.00 0.00 C \r\n> HETATM 4830 C17 CP1 X 1 -0.519 42.484 -7.580 1.00 0.00 C \r\n> HETATM 4831 C12 CP1 X 1 -0.574 43.781 -8.092 1.00 0.00 C \r\n> HETATM 4832 C6 CP1 X 1 -1.203 44.021 -9.314 1.00 0.00 C \r\n> HETATM 4833 C2 CP1 X 1 -1.776 42.966 -10.023 1.00 0.00 C \r\n> HETATM 4834 C7 CP1 X 1 -1.721 41.670 -9.511 1.00 0.00 C \r\n> HETATM 4835 C13 CP1 X 1 -1.092 41.429 -8.289 1.00 0.00 C \r\n> HETATM 4836 H32 CP1 X 1 2.900 37.592 -3.731 1.00 0.00 H \r\n> HETATM 4837 H28 CP1 X 1 1.080 36.637 -2.976 1.00 0.00 H \r\n> HETATM 4838 H22 CP1 X 1 -1.047 37.728 -4.910 1.00 0.00 H \r\n> HETATM 4839 H23 CP1 X 1 0.522 37.247 -5.513 1.00 0.00 H \r\n> HETATM 4840 H10 CP1 X 1 1.257 34.928 -5.572 1.00 0.00 H \r\n> HETATM 4841 H4 CP1 X 1 0.530 32.570 -5.737 1.00 0.00 H \r\n> HETATM 4842 H1 CP1 X 1 -1.770 31.926 -5.065 1.00 0.00 H \r\n> HETATM 4843 H5 CP1 X 1 -3.345 33.649 -4.228 1.00 0.00 H \r\n> HETATM 4844 H11 CP1 X 1 -2.629 36.010 -4.059 1.00 0.00 H \r\n> HETATM 4845 H33 CP1 X 1 -1.512 37.932 -2.663 1.00 0.00 H \r\n> HETATM 4846 H26 CP1 X 1 -0.720 38.114 1.508 1.00 0.00 H \r\n> HETATM 4847 H27 CP1 X 1 -1.230 36.431 1.305 1.00 0.00 H \r\n> HETATM 4848 H14 CP1 X 1 -2.370 39.885 1.996 1.00 0.00 H \r\n> HETATM 4849 H8 CP1 X 1 -4.579 40.425 2.968 1.00 0.00 H \r\n> HETATM 4850 H3 CP1 X 1 -6.301 38.655 3.206 1.00 0.00 H \r\n> HETATM 4851 H9 CP1 X 1 -5.809 36.338 2.467 1.00 0.00 H \r\n> HETATM 4852 H15 CP1 X 1 -3.602 35.787 1.494 1.00 0.00 H \r\n> HETATM 4853 H31 CP1 X 1 3.200 40.450 -3.057 1.00 0.00 H \r\n> HETATM 4854 H30 CP1 X 1 5.593 40.085 -3.336 1.00 0.00 H \r\n> HETATM 4855 H16 CP1 X 1 4.383 37.831 -1.654 1.00 0.00 H \r\n> HETATM 4856 H17 CP1 X 1 4.683 39.496 -1.120 1.00 0.00 H \r\n> HETATM 4857 H18 CP1 X 1 6.034 38.450 -1.543 1.00 0.00 H \r\n> HETATM 4858 H19 CP1 X 1 4.919 37.224 -4.170 1.00 0.00 H \r\n> HETATM 4859 H20 CP1 X 1 5.537 38.496 -5.231 1.00 0.00 H \r\n> HETATM 4860 H21 CP1 X 1 6.551 37.874 -3.923 1.00 0.00 H \r\n> HETATM 4861 H29 CP1 X 1 1.811 41.269 -7.300 1.00 0.00 H \r\n> HETATM 4862 H24 CP1 X 1 0.027 43.099 -5.610 1.00 0.00 H \r\n> HETATM 4863 H25 CP1 X 1 -0.353 41.391 -5.761 1.00 0.00 H \r\n> HETATM 4864 H12 CP1 X 1 -0.129 44.608 -7.547 1.00 0.00 H \r\n> HETATM 4865 H6 CP1 X 1 -1.245 45.030 -9.713 1.00 0.00 H \r\n> HETATM 4866 H2 CP1 X 1 -2.266 43.154 -10.975 1.00 0.00 H \r\n> HETATM 4867 H7 CP1 X 1 -2.167 40.848 -10.063 1.00 0.00 H \r\n> HETATM 4868 H13 CP1 X 1 -1.054 40.416 -7.897 1.00 0.00 H \r\n4886,4888c4886,4888\r\n< HETATM 4870 O WAT W 311 -1.688 26.810 -1.924 1.00 5.95 O \r\n< HETATM 4871 H1 WAT W 311 -2.105 25.964 -2.088 1.00 0.00 H \r\n< HETATM 4872 H2 WAT W 311 -0.936 26.825 -2.517 1.00 0.00 H \r\n---\r\n> HETATM 4870 O WAT W 311 -1.776 26.886 -1.922 1.00 5.95 O \r\n> HETATM 4871 H1 WAT W 311 -1.911 25.942 -2.007 1.00 0.00 H \r\n> HETATM 4872 H2 WAT W 311 -0.939 27.048 -2.356 1.00 0.00 H \r\n4890,4892c4890,4892\r\n< HETATM 4874 O WAT W 340 7.976 33.630 -6.822 1.00 11.72 O \r\n< HETATM 4875 H1 WAT W 340 7.978 32.723 -6.518 1.00 0.00 H \r\n< HETATM 4876 H2 WAT W 340 8.806 33.990 -6.509 1.00 0.00 H \r\n---\r\n> HETATM 4874 O WAT W 340 4.731 31.686 -8.307 1.00 11.72 O \r\n> HETATM 4875 H1 WAT W 340 5.000 30.893 -7.843 1.00 0.00 H \r\n> HETATM 4876 H2 WAT W 340 5.452 32.300 -8.172 1.00 0.00 H \r\n4894,4896c4894,4896\r\n< HETATM 4878 O WAT W 441 2.683 32.245 5.950 1.00 32.86 O \r\n< HETATM 4879 H1 WAT W 441 2.686 31.291 5.869 1.00 0.00 H \r\n< HETATM 4880 H2 WAT W 441 2.033 32.427 6.629 1.00 0.00 H \r\n---\r\n> HETATM 4878 O WAT W 441 0.374 33.181 4.149 1.00 32.86 O \r\n> HETATM 4879 H1 WAT W 441 0.440 32.227 4.187 1.00 0.00 H \r\n> HETATM 4880 H2 WAT W 441 -0.220 33.409 4.864 1.00 0.00 H \r\n4898,4900c4898,4900\r\n< HETATM 4882 O WAT W 516 2.780 29.659 6.592 1.00 45.28 O \r\n< HETATM 4883 H1 WAT W 516 2.646 28.740 6.360 1.00 0.00 H \r\n< HETATM 4884 H2 WAT W 516 3.514 29.648 7.206 1.00 0.00 H \r\n---\r\n> HETATM 4882 O WAT W 516 0.745 30.640 4.945 1.00 45.28 O \r\n> HETATM 4883 H1 WAT W 516 0.668 29.712 4.727 1.00 0.00 H \r\n> HETATM 4884 H2 WAT W 516 1.434 30.675 5.609 1.00 0.00 H \r\n4902,4904c4902,4904\r\n< HETATM 4886 O WAT W 343 -3.312 27.001 -13.946 1.00 15.55 O \r\n< HETATM 4887 H1 WAT W 343 -3.018 26.382 -13.278 1.00 0.00 H \r\n< HETATM 4888 H2 WAT W 343 -4.242 27.129 -13.762 1.00 0.00 H \r\n---\r\n> HETATM 4886 O WAT W 343 -3.329 26.896 -13.928 1.00 15.55 O \r\n> HETATM 4887 H1 WAT W 343 -3.098 26.190 -13.324 1.00 0.00 H \r\n> HETATM 4888 H2 WAT W 343 -4.250 27.080 -13.741 1.00 0.00 H \r\n4983c4983\r\n< coordinate_constraint 4.54707\r\n---\r\n> coordinate_constraint 3.77183\r\n4989,4999c4989,4999\r\n< fa_atr -1537.35\r\n< fa_dun 253.241\r\n< fa_elec -209.471\r\n< fa_intra_rep 3.24097\r\n< fa_pair -44.5123\r\n< fa_rep 188.374\r\n< fa_sol 709.123\r\n< hbond_bb_sc -55.5107\r\n< hbond_lr_bb -119.697\r\n< hbond_sc -54.6761\r\n< hbond_sr_bb -206.402\r\n---\r\n> fa_atr -1535.84\r\n> fa_dun 253.526\r\n> fa_elec -208.916\r\n> fa_intra_rep 3.24385\r\n> fa_pair -44.4394\r\n> fa_rep 189.945\r\n> fa_sol 709.283\r\n> hbond_bb_sc -53.9528\r\n> hbond_lr_bb -116.528\r\n> hbond_sc -53.8256\r\n> hbond_sr_bb -206.844\r\n5009c5009\r\n< if_X_fa_atr -9.76963\r\n---\r\n> if_X_fa_atr -8.31831\r\n5011c5011\r\n< if_X_fa_elec 0.02793\r\n---\r\n> if_X_fa_elec -0.414211\r\n5014,5016c5014,5016\r\n< if_X_fa_rep 1.05278\r\n< if_X_fa_sol 1.70331\r\n< if_X_hbond_bb_sc -0.048082\r\n---\r\n> if_X_fa_rep 1.3263\r\n> if_X_fa_sol 0.571719\r\n> if_X_hbond_bb_sc -0.0102511\r\n5018c5018\r\n< if_X_hbond_sc -0.267421\r\n---\r\n> if_X_hbond_sc -0.0734234\r\n5025,5026c5025,5026\r\n< interface_delta_X -7.30111\r\n< ligand_centroid_travel_X 5.42319\r\n---\r\n> interface_delta_X -6.91818\r\n> ligand_centroid_travel_X 7.03046\r\n5029,5034c5029,5034\r\n< ligand_rms_no_super_X 9.77408\r\n< ligand_rms_with_super_X 4.33519\r\n< omega 36.8889\r\n< p_aa_pp -38.508\r\n< pro_close 31.229\r\n< rama -20.6517\r\n---\r\n> ligand_rms_no_super_X 9.91433\r\n> ligand_rms_with_super_X 4.33518\r\n> omega 35.4515\r\n> p_aa_pp -38.3666\r\n> pro_close 31.1838\r\n> rama -20.6898\r\n5036c5036\r\n< total_score -1097.65\r\n---\r\n> total_score -1090.5\r\n5042,5043c5042,5043\r\n< pose -1537.35 188.374 709.123 3.24097 -209.471 31.229 -44.5123 -206.402 -119.697 -55.5107 -54.6761 0 0 0 0 0 4.54707 0 0 -20.6517 36.8889 253.241 -38.508 -37.51 0 -1097.65\r\n< ALA:NtermProteinFull_1 -2.69961 0.19321 2.78184 0.00195 -0.46089 0 0 0 0 -0.47442 0 0 0 0 0 0 2.27354 0 0 0 0.08664 0 0 0.05 0 1.75226\r\n---\r\n> pose -1535.84 189.945 709.283 3.24385 -208.916 31.1838 -44.4394 -206.844 -116.528 -53.9528 -53.8256 0 0 0 0 0 3.77183 0 0 -20.6898 35.4515 253.526 -38.3666 -37.51 0 -1090.5\r\n> ALA:NtermProteinFull_1 -2.69961 0.19321 2.78184 0.00195 -0.46089 0 0 0 0 -0.47442 0 0 0 0 0 0 1.88591 0 0 0 0.08664 0 0 0.05 0 1.36464\r\n5054c5054\r\n< TYR_12 -5.30082 0.3486 0.94756 0.01792 -0.27353 0 0 0 0 -0.39771 0 0 0 0 0 0 0 0 0 -0.1307 0.22891 1.06213 -0.13337 0.81 0 -2.82102\r\n---\r\n> TYR_12 -5.30187 0.3486 0.94754 0.01792 -0.27586 0 0 0 0 -0.39771 0 0 0 0 0 0 0 0 0 -0.1307 0.22891 1.06213 -0.13337 0.81 0 -2.82441\r\n5107,5118c5107,5118\r\n< ASP_65 -5.5088 0.81039 4.11562 0.00295 -2.12924 0 -0.56353 0 0 0 -2.22126 0 0 0 0 0 0 0 0 0.23097 0.14949 1.90877 0.81178 -0.65 0 -3.04285\r\n< LEU_66 -7.44574 0.87706 1.92404 0.01312 -0.93487 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12704 0.02862 1.27776 0.34924 -0.66 0 -4.44372\r\n< GLY_67 -3.13316 0.28633 2.23029 0.00011 -0.20154 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.32709 -0.0279 0 -1.03295 -0.55 0 -2.75592\r\n< ILE_68 -5.22277 0.87293 1.13281 0.02126 -0.03197 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27162 -0.05663 0.48795 0.19922 -0.73 0 -3.59881\r\n< HIS_69 -7.47949 2.27031 4.98575 0.0074 -2.25203 0 -0.90317 0 0 0 -1.07503 0 0 0 0 0 0 0 0 0.082 0.88946 2.45327 -0.14563 1.17 0 0.00284\r\n< SER_70 -4.73994 0.35554 3.57138 0.00163 -0.49991 0 -0.27849 0 0 -0.20905 0 0 0 0 0 0 0 0 0 -0.30171 -0.0359 0.32286 0.1089 0 0 -1.7047\r\n< ARG_71 -8.39181 0.63736 4.92901 0.01157 -1.36499 0 -0.58089 0 0 -0.4927 -1.07375 0 0 0 0 0 0 0 0 -0.23548 -0.05322 1.5872 -0.05757 -0.77 0 -5.85527\r\n< GLU_72 -7.36226 2.08372 6.24321 0.00613 -5.43252 0 -0.7827 0 0 -0.85698 -0.07479 0 0 0 0 0 0 0 0 0.49906 0.13899 2.49778 0.19439 -0.27 0 -3.11597\r\n< TRP_73 -7.31123 0.58253 3.03388 0.02605 -0.77669 0 0 0 0 0 -0.8938 0 0 0 0 0 0 0 0 -0.37028 0.01133 1.70674 0.04445 2.88 0 -1.06702\r\n< ILE_74 -6.4787 0.82337 1.28844 0.03313 -0.69593 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.26961 -0.07182 1.21334 0.23714 -0.73 0 -4.65063\r\n< THR_75 -7.32848 0.98445 3.41796 0.00849 -1.16378 0 -0.18109 0 0 0 -0.32075 0 0 0 0 0 0 0 0 0.04725 0.23007 2.34678 0.01648 -0.57 0 -2.51263\r\n< GLN_76 -7.00581 0.28425 4.10191 0.02343 -0.51262 0 -0.13392 0 0 -0.15651 -0.32075 0 0 0 0 0 0 0 0 -0.248 0.04743 2.65957 -0.17811 -0.29 0 -1.72913\r\n---\r\n> ASP_65 -5.51017 0.81039 4.11946 0.00295 -2.13067 0 -0.56779 0 0 0 -2.22126 0 0 0 0 0 0 0 0 0.23097 0.14949 1.90877 0.81178 -0.65 0 -3.04606\r\n> LEU_66 -7.44586 0.87706 1.92404 0.01312 -0.93484 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12704 0.02862 1.27776 0.34924 -0.66 0 -4.44382\r\n> GLY_67 -3.13351 0.28633 2.23071 0.00011 -0.20459 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.32709 -0.0279 0 -1.03295 -0.55 0 -2.75889\r\n> ILE_68 -5.24884 0.98178 1.13952 0.02126 -0.03247 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27162 -0.05663 0.48795 0.19922 -0.73 0 -3.50984\r\n> HIS_69 -7.44669 2.16978 4.96497 0.0073 -2.19457 0 -0.91183 0 0 0 -1.02685 0 0 0 0 0 0 0 0 0.082 0.88946 2.42634 -0.14563 1.17 0 -0.01573\r\n> SER_70 -4.7395 0.35554 3.57227 0.00163 -0.50179 0 -0.27818 0 0 -0.20905 0 0 0 0 0 0 0 0 0 -0.30171 -0.0359 0.32286 0.1089 0 0 -1.70495\r\n> ARG_71 -8.25367 0.63495 4.84949 0.01204 -1.22986 0 -0.5978 0 0 -0.48676 -1.02978 0 0 0 0 0 0 0 0 -0.23548 -0.05322 1.54106 -0.05757 -0.77 0 -5.6766\r\n> GLU_72 -7.3461 2.18607 6.2896 0.00633 -5.30028 0 -0.77102 0 0 -0.50048 0 0 0 0 0 0 0 0 0 0.49906 0.13899 2.47134 0.19439 -0.27 0 -2.4021\r\n> TRP_73 -7.29979 0.58253 3.03991 0.02605 -0.77774 0 0 0 0 0 -0.8938 0 0 0 0 0 0 0 0 -0.37028 0.01133 1.70674 0.04445 2.88 0 -1.05059\r\n> ILE_74 -6.46174 0.80107 1.28903 0.03313 -0.68818 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.26961 -0.07182 1.21334 0.23714 -0.73 0 -4.64764\r\n> THR_75 -7.28661 0.97397 3.39336 0.00849 -1.14494 0 -0.18301 0 0 0 -0.32075 0 0 0 0 0 0 0 0 0.04725 0.23007 2.34678 0.01648 -0.57 0 -2.48891\r\n> GLN_76 -7.0059 0.28425 4.10191 0.02343 -0.51259 0 -0.13557 0 0 -0.15651 -0.32075 0 0 0 0 0 0 0 0 -0.248 0.04743 2.65957 -0.17811 -0.29 0 -1.73083\r\n5154c5154\r\n< ASN_112 -5.64978 0.45501 3.72494 0.01454 -1.05478 0.00623 -0.40159 0 0 -1.53709 0 0 0 0 0 0 0 0 0 0.09412 -0.00456 1.37801 -0.4515 -0.76 0 -4.18645\r\n---\r\n> ASN_112 -5.64975 0.45501 3.72494 0.01454 -1.05481 0.00623 -0.40159 0 0 -1.53709 0 0 0 0 0 0 0 0 0 0.09412 -0.00456 1.37801 -0.4515 -0.76 0 -4.18645\r\n5161c5161\r\n< THR_119 -7.17754 1.29243 3.77631 0.00419 -0.9177 0 -0.22306 0 0 -0.6222 -0.8938 0 0 0 0 0 0 0 0 -0.26318 -0.0488 0.09608 0.0146 -0.57 0 -5.53269\r\n---\r\n> THR_119 -7.17745 1.29243 3.77631 0.00419 -0.91772 0 -0.22306 0 0 -0.6222 -0.8938 0 0 0 0 0 0 0 0 -0.26318 -0.0488 0.09608 0.0146 -0.57 0 -5.5326\r\n5165,5171c5165,5171\r\n< ASN_123 -4.33818 0.86912 2.78229 0.01403 -0.59521 0 0 0 0 -0.4506 0 0 0 0 0 0 0 0 0 0.07769 -0.06547 0.87066 -0.55979 -0.76 0 -2.15546\r\n< ARG_124 -3.53963 0.23606 1.5019 0.00882 -0.05265 0 -0.00488 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -0.053 0.88545 -0.08785 -0.77 0 -2.18269\r\n< LEU_125 -3.82571 0.53428 1.5773 0.01479 -0.5329 0 0 0 0 -0.9433 0 0 0 0 0 0 0 0 0 0.05312 -0.00887 0.03507 0.02753 -0.66 0 -3.72868\r\n< TRP_126 -8.5531 0.68846 3.71129 0.01753 -0.94187 0 0 0 0 -0.09682 0 0 0 0 0 0 0 0 0 -0.17383 0.01613 1.21603 -0.08687 2.88 0 -1.32305\r\n< ARG_127 -7.98623 0.87913 6.19047 0.01166 -0.64458 0 -0.99216 0 0 0 -0.92516 0 0 0 0 0 0 0 0 0.32694 0.44058 1.59184 -0.02828 -0.77 0 -1.90579\r\n< LYS_128 -8.02583 0.57345 6.26278 0.01022 -2.25461 0 -0.18802 0 0 -1.13004 0 0 0 0 0 0 0 0 0 0.30196 0.5277 1.36154 0.51349 -0.42 0 -2.46738\r\n< THR_129 -5.06395 0.35904 3.26616 0.00422 -1.01009 0 -0.30753 0 0 -0.99834 -0.67485 0 0 0 0 0 0 0 0 0.28494 0.35907 0.12928 -0.0022 -0.57 0 -4.22424\r\n---\r\n> ASN_123 -4.33818 0.86912 2.78229 0.01403 -0.59611 0 0 0 0 -0.43057 0 0 0 0 0 0 0 0 0 0.07769 -0.06547 0.87066 -0.55979 -0.76 0 -2.13633\r\n> ARG_124 -3.52047 0.23612 1.50513 0.00882 -0.0545 0 -0.00488 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -0.053 0.88545 -0.08785 -0.77 0 -2.16209\r\n> LEU_125 -3.78115 0.56779 1.54799 0.01479 -0.53773 0 0 0 0 -0.91733 0 0 0 0 0 0 0 0 0 0.05312 -0.00887 0.03507 0.02753 -0.66 0 -3.65878\r\n> TRP_126 -8.53875 0.68485 3.70517 0.01753 -0.94373 0 0 0 0 -0.09682 0 0 0 0 0 0 0 0 0 -0.17383 0.01613 1.21603 -0.08687 2.88 0 -1.32028\r\n> ARG_127 -7.95435 0.72218 6.19472 0.01184 -0.60595 0 -0.99782 0 0 0 -0.95344 0 0 0 0 0 0 0 0 0.32694 0.44058 1.84011 -0.02828 -0.77 0 -1.77346\r\n> LYS_128 -8.01557 0.58393 6.25745 0.01022 -2.25501 0 -0.18736 0 0 -1.13004 0 0 0 0 0 0 0 0 0 0.30196 0.5277 1.36154 0.51349 -0.42 0 -2.45168\r\n> THR_129 -5.06394 0.35904 3.26616 0.00422 -1.01009 0 -0.30753 0 0 -0.99834 -0.67485 0 0 0 0 0 0 0 0 0.28494 0.35907 0.12928 -0.0022 -0.57 0 -4.22423\r\n5173c5173\r\n< SER_131 -3.83179 0.37996 2.3328 0.0017 -0.90828 0 -0.46206 0 0 0 0 0 0 0 0 0 0 0 0 -0.04529 0.09136 0.23712 0.03908 0 0 -2.16539\r\n---\r\n> SER_131 -3.8318 0.37996 2.3328 0.0017 -0.90828 0 -0.46206 0 0 0 0 0 0 0 0 0 0 0 0 -0.04529 0.09136 0.23712 0.03908 0 0 -2.1654\r\n5175c5175\r\n< THR_133 -3.65578 0.59695 2.21078 0.00524 0.33709 0 -0.07421 0 0 0 0 0 0 0 0 0 0 0 0 0.24731 -0.0598 0.05941 0.56464 -0.57 0 -0.33836\r\n---\r\n> THR_133 -3.6574 0.59793 2.21286 0.00524 0.33802 0 -0.07421 0 0 0 0 0 0 0 0 0 0 0 0 0.24731 -0.0598 0.05941 0.56464 -0.57 0 -0.33599\r\n5177,5178c5177,5178\r\n< SER_135 -1.42494 0.50338 1.02904 0.00104 0.06483 0 -0.18495 0 0 0 0 0 0 0 0 0 0 0 0 -0.16572 -0.04827 0.39034 0.18315 0 0 0.3479\r\n< SER_136 -3.68352 0.3495 2.76574 0.00128 0.21516 0 -0.34531 0 0 -0.02056 0 0 0 0 0 0 0 0 0 0.09894 0.15432 0.24956 -0.11248 0 0 -0.32736\r\n---\r\n> SER_135 -1.42431 0.50338 1.02891 0.00104 0.06477 0 -0.18495 0 0 0 0 0 0 0 0 0 0 0 0 -0.16572 -0.04827 0.39034 0.18315 0 0 0.34833\r\n> SER_136 -3.67552 0.34901 2.76104 0.00128 0.21568 0 -0.34531 0 0 -0.02056 0 0 0 0 0 0 0 0 0 0.09894 0.15432 0.24956 -0.11248 0 0 -0.32403\r\n5180,5210c5180,5210\r\n< CYS_138 -3.67609 0.413 1.83921 0.00577 0.04233 0 0 0 0 -0.02056 0 0 0 0 0 0 0 0 0 -0.21244 0.17598 1.93245 0.14107 0.09 0 0.73072\r\n< VAL_139 -3.85958 0.49795 1.08638 0.02248 -0.41971 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 0.55049 0.62352 -0.1382 -0.57 0 -2.22317\r\n< GLY_140 -3.73236 0.27952 2.17727 0 -0.97326 0 0 0 0 -0.57762 0 0 0 0 0 0 0 0 0 0.04494 -0.01049 0 -1.22391 -0.55 0 -4.56591\r\n< VAL_141 -6.70934 1.1907 2.51283 0.01139 -0.66842 0 0 0 0 -0.9776 0 0 0 0 0 0 0 0 0 -0.14211 0.13235 0.24018 -0.54715 -0.57 0 -5.52717\r\n< ASP_142 -6.76112 0.80738 6.23846 0.00624 -2.47877 0 -1.13393 0 0 -0.48257 -1.34732 0 0 0 0 0 0 0 0 -0.12078 -0.07238 1.00104 -0.65478 -0.65 0 -5.64852\r\n< ALA_143 -3.72968 0.5173 1.36313 0.0012 -0.1161 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.32662 0.22275 0 -0.05671 0.05 0 -2.07472\r\n< ASN_144 -5.54557 0.35009 3.91458 0.00768 -0.89808 0 -0.77673 0 0 -1.56457 0 0 0 0 0 0 0 0 0 -0.13451 1.08078 1.31101 -0.59069 -0.76 0 -3.60601\r\n< ARG_145 -8.9212 0.79948 5.77671 0.01838 -1.21058 0 -0.58283 0 0 -0.46047 -0.78324 0 0 0 0 0 0 0 0 0.09496 0.3681 0.98667 -0.16463 -0.77 0 -4.84864\r\n< ASN_146 -7.42874 0.30206 4.55794 0.00616 -1.50201 0 -0.43314 0 0 -2.04417 -0.94616 0 0 0 0 0 0 0 0 -0.22393 -0.04467 2.50484 -0.17072 -0.76 0 -6.18254\r\n< TRP_147 -10.1338 1.64098 1.84847 0.02885 -0.76306 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05187 0.69371 1.5084 -0.17647 2.88 0 -2.52479\r\n< ASP_148 -2.24814 0.10344 1.04997 0.00821 -0.01177 0 -0.12043 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 0.30256 0.97997 -0.53654 -0.65 0 -1.00202\r\n< ALA_149 -3.57599 0.40623 1.33312 0.00304 -0.52177 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.48301 -0.0683 0 0.20055 0.05 0 -1.6901\r\n< GLY_150 -2.66288 0.37247 1.50836 0.00011 -0.37225 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16252 -0.0904 0 -0.65126 -0.55 0 -2.60838\r\n< PHE_151 -6.42617 0.72345 1.8167 0.01889 -0.0881 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16253 -0.08355 0.85413 0.14296 1.88 0 -1.32422\r\n< GLY_152 -1.62185 0.06938 1.01007 7e-05 -0.12519 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.30744 -0.09097 0 -1.19883 -0.55 0 -2.81477\r\n< LYS_153 -3.50602 0.36513 2.52322 0.00685 -0.50115 0 0 0 0 -0.54015 0 0 0 0 0 0 0 0 0 -0.01428 -0.02615 0.97772 0.15995 -0.42 0 -0.97489\r\n< ALA_154 -2.02968 0.28801 1.34503 0.00102 -0.13579 0 0 0 0 0 0 0 0 0 0 0 8e-05 0 0 -0.03371 0.15123 0 -0.10342 0.05 0 -0.46723\r\n< GLY_155 -3.02357 0.21193 1.89394 4e-05 -0.46972 0 0 0 0 0 0 0 0 0 0 0 0.00124 0 0 0.01425 -0.20571 0 -1.25994 -0.55 0 -3.38756\r\n< ALA_156 -3.14541 0.29993 1.15296 0.00121 -0.1129 0 0 0 0 0 0 0 0 0 0 0 0.00443 0 0 0.13149 0.04268 0 -0.44687 0.05 0 -2.02247\r\n< SER_157 -4.30699 0.71552 3.56615 0.0017 -0.85809 0 -0.307 0 0 -0.9608 -0.31517 0 0 0 0 0 0.01189 0 0 0.02775 0.10975 0.80745 -0.05116 0 0 -1.559\r\n< SER_158 -2.26173 0.33977 1.36767 0.00183 -0.23535 0 -0.2353 0 0 0 -0.55515 0 0 0 0 0 0.01109 0 0 -0.22247 0.12576 0.51168 -0.19032 0 0 -1.34254\r\n< SER_159 -3.86654 0.78612 2.84198 0.00148 -0.3768 1.0466 -0.18192 0 0 -0.9608 -0.31517 0 0 0 0 0 0.01796 0 0 0.03086 0.27295 1.15066 0.33391 0 0 0.78129\r\n< PRO_160 -4.42221 0.46128 1.64916 0.01394 -0.03693 1.29454 0 0 0 0 0 0 0 0 0 0 0.03269 0 0 -0.15963 -0.11536 0.30702 -0.47075 -0.33 0 -1.77625\r\n< CYS_161 -2.69819 0.47504 1.25802 0.00562 0.11944 0 0 0 0 0 0 0 0 0 0 0 0.02371 0 0 -0.23652 0.08262 1.40775 0.15427 0.09 0 0.68175\r\n< SER_162 -4.30226 0.77478 3.91417 0.00177 -1.04618 0 -0.13653 0 0 -0.78133 -0.34906 0 0 0 0 0 0.0149 0 0 -0.1568 0.25473 0.39325 0.08656 0 0 -1.33201\r\n< GLU_163 -4.07588 0.30374 3.22726 0.00911 -0.58454 0 -0.68065 0 0 0 -1.17308 0 0 0 0 0 0.09525 0 0 -0.13711 -0.01668 2.74072 -0.06779 -0.27 0 -0.62966\r\n< THR_164 -5.49673 0.71346 3.25134 0.00559 -1.12575 0 -0.15276 0 0 -0.78133 -1.22763 0 0 0 0 0 0.02332 0 0 -0.10549 -0.02561 0.02389 -0.40256 -0.57 0 -5.87025\r\n< TYR_165 -10.0394 1.45576 3.85208 0.02001 -0.94266 0 0 0 0 0 0 0 0 0 0 0 0.02542 0 0 -0.13742 0.07587 1.27309 0.02503 0.81 0 -3.58222\r\n< HIS_D_166 -7.35984 0.89035 3.70154 0.00741 -0.95002 0 -0.16772 0 0 -1.7096 -0.55515 0 0 0 0 0 0 0 0 -0.27623 -0.04264 3.18394 -0.09724 1.17 0 -2.20521\r\n< GLY_167 -3.49192 0.33936 1.81067 0.00017 -0.43613 0 0 0 0 -0.98667 0 0 0 0 0 0 0 0 0 -0.0136 -0.04921 0 -1.24867 -0.55 0 -4.62601\r\n< LYS_168 -1.72845 0.05859 0.97254 0.00633 0.07726 0 0.13131 0 0 0 0 0 0 0 0 0 0 0 0 -0.23732 0.57338 0.48644 -0.11048 -0.42 0 -0.1904\r\n---\r\n> CYS_138 -3.67166 0.40417 1.83637 0.00577 0.04232 0 0 0 0 -0.02056 0 0 0 0 0 0 0 0 0 -0.21244 0.17598 1.93245 0.14107 0.09 0 0.72347\r\n> VAL_139 -3.85919 0.49795 1.08574 0.02248 -0.41964 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 0.55049 0.62352 -0.1382 -0.57 0 -2.22335\r\n> GLY_140 -3.73485 0.27962 2.17774 0 -0.97711 0 0 0 0 -0.57762 0 0 0 0 0 0 0 0 0 0.04494 -0.01049 0 -1.22391 -0.55 0 -4.57168\r\n> VAL_141 -6.71974 1.21291 2.50908 0.01139 -0.66592 0 0 0 0 -0.9776 0 0 0 0 0 0 0 0 0 -0.14211 0.13235 0.24018 -0.54715 -0.57 0 -5.51662\r\n> ASP_142 -6.69245 0.70775 6.1979 0.00611 -2.51057 0 -1.12217 0 0 -0.4777 -1.2873 0 0 0 0 0 0 0 0 -0.12078 -0.07238 1.04862 -0.65478 -0.65 0 -5.62775\r\n> ALA_143 -3.7301 0.5173 1.36173 0.0012 -0.11556 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.32662 0.22275 0 -0.05671 0.05 0 -2.07601\r\n> ASN_144 -5.52258 0.38247 3.87669 0.00769 -0.84274 0 -0.7734 0 0 -1.59642 0 0 0 0 0 0 0 0 0 -0.13451 1.08078 1.31333 -0.59069 -0.76 0 -3.55937\r\n> ARG_145 -9.2665 1.13407 6.35411 0.01874 -1.6838 0 -0.58354 0 0 -0.69788 -0.76163 0 0 0 0 0 0 0 0 0.09496 0.3681 1.04246 -0.16463 -0.77 0 -4.91553\r\n> ASN_146 -7.42342 0.30206 4.55977 0.00616 -1.50073 0 -0.43314 0 0 -2.04417 -0.94616 0 0 0 0 0 0 0 0 -0.22393 -0.04467 2.50484 -0.17072 -0.76 0 -6.17411\r\n> TRP_147 -10.1166 1.55205 1.82651 0.02885 -0.74677 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05187 0.69371 1.5084 -0.17647 2.88 0 -2.60216\r\n> ASP_148 -2.24813 0.10344 1.04785 0.00821 -0.01368 0 -0.12043 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 0.30256 0.97997 -0.53654 -0.65 0 -1.00603\r\n> ALA_149 -3.55624 0.40791 1.33491 0.00304 -0.51985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.48301 -0.0683 0 0.20055 0.05 0 -1.66496\r\n> GLY_150 -2.61144 0.36847 1.49332 0.00011 -0.37917 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16252 -0.0904 0 -0.65126 -0.55 0 -2.58288\r\n> PHE_151 -6.42895 0.72345 1.81782 0.01889 -0.08456 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16253 -0.08355 0.85413 0.14296 1.88 0 -1.32233\r\n> GLY_152 -1.6137 0.06928 1.01849 7e-05 -0.1094 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.30744 -0.09097 0 -1.19883 -0.55 0 -2.7825\r\n> LYS_153 -3.43368 0.3465 2.51373 0.00688 -0.61484 0 0 0 0 -0.54795 0 0 0 0 0 0 0 0 0 -0.01122 -0.00341 0.97365 0.15472 -0.42 0 -1.03562\r\n> ALA_154 -2.02376 0.2777 1.34697 0.00102 -0.15445 0 0 0 0 0 0 0 0 0 0 0 0.00071 0 0 -0.06171 0.06611 0 -0.09663 0.05 0 -0.59406\r\n> GLY_155 -3.03157 0.14109 1.9473 3e-05 -0.21235 0 0 0 0 -0.20246 0 0 0 0 0 0 0.00315 0 0 -0.06197 -0.18087 0 -1.26142 -0.55 0 -3.40907\r\n> ALA_156 -3.20708 0.33319 1.1561 0.0012 -0.14377 0 0 0 0 0 0 0 0 0 0 0 0.00394 0 0 0.11871 -0.00292 0 -0.30531 0.05 0 -1.99595\r\n> SER_157 -4.22334 0.81395 3.46606 0.0017 -0.87762 0 -0.27113 0 0 -0.87896 -0.98525 0 0 0 0 0 0.00435 0 0 0.029 0.09054 0.58282 0.10916 0 0 -2.13873\r\n> SER_158 -2.2488 0.35713 1.35926 0.00183 -0.24151 0 -0.22497 0 0 0 -0.58128 0 0 0 0 0 0.00407 0 0 -0.22247 0.12576 0.51168 -0.19032 0 0 -1.34964\r\n> SER_159 -3.9106 0.70655 3.14032 0.00148 -0.41229 1.0466 -0.11172 0 0 -0.87896 0 0 0 0 0 0 0.01405 0 0 0.03086 0.27295 1.15066 0.33391 0 0 1.38381\r\n> PRO_160 -4.42576 0.47412 1.6599 0.01394 -0.04664 1.29454 0 0 0 0 0 0 0 0 0 0 0.02127 0 0 -0.15963 -0.11536 0.30702 -0.47075 -0.33 0 -1.77736\r\n> CYS_161 -2.7465 0.46559 1.35636 0.00562 0.13021 0 0 0 0 0 0 0 0 0 0 0 0.0336 0 0 -0.23475 0.17269 1.4105 0.15557 0.09 0 0.8389\r\n> SER_162 -4.14446 0.96154 3.68563 0.00106 -0.7426 0 -0.11804 0 0 0 -0.98525 0 0 0 0 0 0.01655 0 0 -0.14345 0.12637 0.44484 0.03232 0 0 -0.8655\r\n> GLU_163 -3.58815 0.25305 2.95505 0.00892 -0.85304 0 -0.71546 0 0 0 -1.30802 0 0 0 0 0 0.13221 0 0 -0.04081 -0.03187 2.79502 -0.02604 -0.27 0 -0.68915\r\n> THR_164 -4.9846 0.7906 2.94005 0.00533 -0.43964 0 -0.18623 0 0 0 0 0 0 0 0 0 0.04794 0 0 -0.08402 -0.03312 0.01593 -0.41635 -0.57 0 -2.9141\r\n> TYR_165 -9.98701 1.45213 3.72221 0.02017 -0.90384 0 0 0 0 0 0 0 0 0 0 0 0.03939 0 0 -0.1593 0.01138 1.30226 0.02416 0.81 0 -3.66847\r\n> HIS_D_166 -7.38671 0.88697 3.6868 0.00741 -0.95287 0 -0.16934 0 0 -1.7096 -0.58128 0 0 0 0 0 0 0 0 -0.27623 -0.04264 3.18394 -0.09724 1.17 0 -2.2808\r\n> GLY_167 -3.50795 0.35241 1.81551 0.00017 -0.43951 0 0 0 0 -0.98667 0 0 0 0 0 0 0 0 0 -0.0136 -0.04921 0 -1.24867 -0.55 0 -4.62751\r\n> LYS_168 -1.74406 0.05859 0.98402 0.00633 0.07865 0 0.13131 0 0 0 0 0 0 0 0 0 0 0 0 -0.23732 0.57338 0.48644 -0.11048 -0.42 0 -0.19313\r\n5215c5215\r\n< GLU_173 -5.96547 0.6046 4.67089 0.00726 -1.89918 0 -0.46051 0 0 -1.32124 -1.13836 0 0 0 0 0 0 0 0 -0.05835 -0.00102 3.44903 0.05783 -0.27 0 -2.32452\r\n---\r\n> GLU_173 -5.96548 0.6046 4.67089 0.00726 -1.89918 0 -0.46051 0 0 -1.32124 -1.13836 0 0 0 0 0 0 0 0 -0.05835 -0.00102 3.44903 0.05783 -0.27 0 -2.32453\r\n5218c5218\r\n< VAL_176 -6.73525 0.75137 1.47952 0.0103 -0.68746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 0.08427 0.55292 -0.36494 -0.57 0 -5.36847\r\n---\r\n> VAL_176 -6.73524 0.75137 1.47952 0.0103 -0.68746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.1108 0.08427 0.55292 -0.36494 -0.57 0 -5.36847\r\n5234,5256c5234,5256\r\n< PHE_192 -7.66512 1.18274 1.65121 0.01825 -0.70776 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -0.05792 1.37414 -0.19418 1.88 0 -2.40134\r\n< LEU_193 -6.20646 1.18772 1.17024 0.01467 -0.72541 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01795 -0.06866 0.56124 -0.1921 -0.66 0 -4.9008\r\n< SER_194 -4.20457 0.85054 3.30971 0.00151 -1.54952 0 -0.56969 0 0 0 -1.50037 0 0 0 0 0 0 0 0 0.21407 0.25991 0.14728 0.22226 0 0 -2.81888\r\n< ILE_195 -6.18335 0.98203 0.8087 0.02768 -0.54349 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.18632 0.04429 0.29607 -0.56206 -0.73 0 -6.04645\r\n< HIS_196 -7.37978 1.5186 4.27473 0.00739 -2.67168 0 -1.22115 0 0 0 -0.56524 0 0 0 0 0 0 0 0 -0.0164 4.08646 1.84266 -0.09881 1.17 0 0.94679\r\n< SER_197 -5.01473 1.01773 3.06627 0.00307 -0.39652 0 -0.16618 0 0 -0.85698 0 0 0 0 0 0 0.12788 0 0 0.03678 0.00045 0.39776 -0.12427 0 0 -1.90873\r\n< TYR_198 -7.58092 1.67491 2.191 0.01967 -0.32281 0 0 0 0 -0.22966 0 0 0 0 0 0 0.20531 0 0 -0.08677 0.86559 1.26309 -0.33474 0.81 0 -1.52533\r\n< SER_199 -4.28641 0.68154 2.43686 0.00289 -0.60654 0 -0.02458 0 0 -0.22966 0 0 0 0 0 0 0.01892 0 0 1.22451 0.04521 0.71579 0.7196 0 0 0.69812\r\n< GLN_200 -7.72937 1.09926 3.38976 0.01017 -0.99816 0 -0.50233 0 0 -0.35187 0 0 0 0 0 0 0.01553 0 0 0.35601 -0.02423 2.70314 -0.26949 -0.29 0 -2.59158\r\n< LEU_201 -7.43446 1.72823 1.74413 0.01183 -0.67662 0 0 0 0 0 0 0 0 0 0 0 0.0066 0 0 0.07118 0.50846 0.61545 0.09121 -0.66 0 -3.99398\r\n< LEU_202 -6.55205 0.92584 0.64883 0.01641 -0.7135 0 0 0 0 0 0 0 0 0 0 0 0.06103 0 0 0.04847 0.51441 0.64581 -0.24254 -0.66 0 -5.30729\r\n< LEU_203 -7.14312 1.01924 1.38547 0.01207 -0.90229 0 0 0 0 0 0 0 0 0 0 0 0.04957 0 0 -0.05907 0.33982 0.50131 -0.21094 -0.66 0 -5.66794\r\n< TYR_204 -8.32933 0.97975 2.97739 0.01736 -1.16426 0.03616 0 0 0 0 -1.6549 0 0 0 0 0 0.04836 0 0 0.00394 -0.01664 1.51148 -0.29041 0.81 0 -5.0711\r\n< PRO_205 -6.04536 3.39534 1.15851 0.01426 -0.23286 0.03734 0 0 0 0 0 0 0 0 0 0 0.02333 0 0 -0.21907 0.09868 0.14724 -0.98198 -0.33 0 -2.93457\r\n< TYR_206 -8.40328 1.7022 2.6694 0.02112 -1.27076 0 0 0 0 0 -0.78808 0 0 0 0 0 0.04451 0 0 0.05402 0.50899 1.94146 -0.19262 0.81 0 -2.90302\r\n< GLY_207 -3.96563 0.32312 2.2331 8e-05 -1.01047 0 0 0 0 -1.02075 0 0 0 0 0 0 0.00467 0 0 0.33263 -0.00067 0 0.78545 -0.55 0 -2.86846\r\n< TYR_208 -6.3662 0.63541 1.79052 0.02076 -0.10014 0 0 0 0 0 -0.96793 0 0 0 0 0 0.03163 0 0 -0.22308 -0.04458 1.48243 -0.07432 0.81 0 -3.00549\r\n< THR_209 -4.38564 0.38856 1.43506 0.00924 0.03169 0 -0.08859 0 0 -0.63044 0 0 0 0 0 0 0 0 0 -0.05372 0.00493 0.18941 0.02447 -0.57 0 -3.64501\r\n< THR_210 -1.70678 0.19037 0.52376 0.00504 0.03191 0 -0.08138 0 0 0 0 0 0 0 0 0 0 0 0 -0.25545 0.37454 0.01441 -0.10625 -0.57 0 -1.57983\r\n< GLN_211 -2.14552 0.12237 1.57673 0.00638 -0.3262 0 -0.03252 0 0 -0.63044 0 0 0 0 0 0 0 0 0 -0.12553 0.2499 1.33932 0.09624 -0.29 0 -0.15927\r\n< SER_212 -1.92268 0.11144 1.03371 0.00153 -0.16713 0 -0.02608 0 0 0 0 0 0 0 0 0 0 0 0 -0.22047 -0.0259 0.45504 -0.07984 0 0 -0.84039\r\n< ILE_213 -6.89261 2.20175 0.84011 0.0217 -0.23625 0.04925 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05233 -0.0431 0.64117 0.32835 -0.73 0 -3.87197\r\n< PRO_214 -1.91078 0.1227 0.95642 0.01432 0.08017 0.55835 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.10973 -0.16203 0.07995 -0.3609 -0.33 0 -1.06153\r\n---\r\n> PHE_192 -7.66497 1.18241 1.65125 0.01825 -0.70691 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 -0.05792 1.37414 -0.19418 1.88 0 -2.40062\r\n> LEU_193 -6.20663 1.18772 1.17015 0.01467 -0.724 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01795 -0.06866 0.56124 -0.1921 -0.66 0 -4.89965\r\n> SER_194 -4.24766 0.92517 3.34409 0.00151 -1.56036 0 -0.57735 0 0 0 -1.76838 0 0 0 0 0 0 0 0 0.21407 0.25991 0.14728 0.22226 0 0 -3.03946\r\n> ILE_195 -6.17485 1.10001 0.8036 0.02768 -0.53049 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.18632 0.04429 0.29607 -0.56206 -0.73 0 -5.91207\r\n> HIS_196 -7.40253 1.80879 4.39513 0.00829 -2.57798 0 -1.22435 0 0 0 -0.83325 0 0 0 0 0 0 0 0 0.0023 2.01779 1.92548 -0.11163 1.17 0 -0.82195\r\n> SER_197 -4.73238 1.06468 2.98856 0.00253 -0.32266 0 -0.16072 0 0 -0.50048 0 0 0 0 0 0 0.00958 0 0 -0.04349 0.10273 0.21754 -0.30118 0 0 -1.67528\r\n> TYR_198 -6.78009 1.6876 2.01691 0.01946 -0.25963 0 0 0 0 -0.23812 0 0 0 0 0 0 0.18557 0 0 -0.06868 1.15511 1.30102 -0.31215 0.81 0 -0.483\r\n> SER_199 -3.90905 0.66086 2.21645 0.00288 -0.55089 0 -0.02009 0 0 -0.23812 0 0 0 0 0 0 0.00863 0 0 1.20782 0.08659 0.8165 0.63794 0 0 0.91952\r\n> GLN_200 -7.724 1.07481 3.39137 0.01017 -0.99754 0 -0.50029 0 0 -0.32781 0 0 0 0 0 0 0.00812 0 0 0.35601 -0.02423 2.70314 -0.26949 -0.29 0 -2.58974\r\n> LEU_201 -7.36242 1.38699 1.7262 0.01189 -0.67559 0 0 0 0 0 0 0 0 0 0 0 0.02102 0 0 0.06271 0.56735 0.57896 0.08723 -0.66 0 -4.25564\r\n> LEU_202 -6.54679 0.92691 0.64058 0.01641 -0.70509 0 0 0 0 0 0 0 0 0 0 0 0.07516 0 0 0.04847 0.51441 0.64581 -0.24254 -0.66 0 -5.28667\r\n> LEU_203 -7.11074 1.06706 1.39254 0.01229 -0.92584 0 0 0 0 0 0 0 0 0 0 0 0.0659 0 0 -0.05385 0.41225 0.73738 -0.196 -0.66 0 -5.25901\r\n> TYR_204 -8.34156 1.16508 2.99285 0.01733 -1.17638 0.01358 0 0 0 0 -1.65265 0 0 0 0 0 0.03184 0 0 0.0185 -0.00947 1.51107 -0.24603 0.81 0 -4.86584\r\n> PRO_205 -6.08106 3.38682 1.16224 0.01426 -0.22594 0.01476 0 0 0 0 0 0 0 0 0 0 0.0179 0 0 -0.21907 0.09868 0.14724 -0.98198 -0.33 0 -2.99614\r\n> TYR_206 -8.55582 1.75645 2.74914 0.02079 -1.29879 0 0 0 0 0 -0.78911 0 0 0 0 0 0.03543 0 0 0.04112 0.49997 1.92692 -0.2055 0.81 0 -3.0094\r\n> GLY_207 -4.01479 0.40471 2.25487 7e-05 -1.0419 0 0 0 0 -1.05198 0 0 0 0 0 0 0.00525 0 0 0.25782 -0.00312 0 0.7414 -0.55 0 -2.99767\r\n> TYR_208 -6.24057 0.6215 1.75246 0.02132 -0.08629 0 0 0 0 0 -0.93674 0 0 0 0 0 0.04839 0 0 -0.20736 0.00728 1.52211 -0.11998 0.81 0 -2.8079\r\n> THR_209 -4.45431 0.32538 1.495 0.00924 0.00956 0 -0.07447 0 0 -0.77114 0 0 0 0 0 0 0.05245 0 0 -0.08528 0.01672 0.2517 -0.02998 -0.57 0 -3.82513\r\n> THR_210 -1.77321 0.20333 0.54865 0.00504 0.04416 0 -0.0689 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 0.38985 0.01404 -0.14751 -0.57 0 -1.60126\r\n> GLN_211 -2.2067 0.12703 1.6061 0.00638 -0.36026 0 -0.03088 0 0 -0.77114 0 0 0 0 0 0 0 0 0 -0.12553 0.2499 1.33932 0.09624 -0.29 0 -0.35955\r\n> SER_212 -1.92227 0.11144 1.0337 0.00153 -0.16798 0 -0.02608 0 0 0 0 0 0 0 0 0 0 0 0 -0.22047 -0.0259 0.45504 -0.07984 0 0 -0.84084\r\n> ILE_213 -6.89927 2.26304 0.83809 0.0217 -0.23414 0.04925 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05233 -0.0431 0.64117 0.32835 -0.73 0 -3.81725\r\n> PRO_214 -1.91014 0.1227 0.95584 0.01432 0.08037 0.55835 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.10973 -0.16203 0.07995 -0.3609 -0.33 0 -1.06127\r\n5258c5258\r\n< LYS_216 -4.65508 0.63285 3.28322 0.00867 -0.76995 0 0.0085 0 0 0 -0.843 0 0 0 0 0 0 0 0 -0.21017 -0.05041 1.2671 -0.01451 -0.42 0 -1.76278\r\n---\r\n> LYS_216 -4.65359 0.65313 3.26442 0.00867 -0.76513 0 0.0104 0 0 0 -0.83309 0 0 0 0 0 0 0 0 -0.21017 -0.05041 1.2671 -0.01451 -0.42 0 -1.7432\r\n5261,5262c5261,5262\r\n< LEU_219 -7.02535 0.44876 1.42156 0.01175 -0.80629 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.29133 0.16888 2.39174 -0.26043 -0.66 0 -4.60071\r\n< ASN_220 -4.81904 0.24748 3.12368 0.0067 -1.11459 0 -0.11968 0 0 0 -0.8119 0 0 0 0 0 0 0 0 -0.0853 0.36354 1.88685 0.31973 -0.76 0 -1.76254\r\n---\r\n> LEU_219 -7.04057 0.47133 1.41927 0.01175 -0.80711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.29133 0.16888 2.39174 -0.26043 -0.66 0 -4.59646\r\n> ASN_220 -4.82092 0.24719 3.12807 0.0067 -1.12173 0 -0.11968 0 0 0 -0.81956 0 0 0 0 0 0 0 0 -0.0853 0.36354 1.88685 0.31973 -0.76 0 -1.77512\r\n5264,5266c5264,5266\r\n< VAL_222 -5.87366 0.49749 1.87532 0.01419 -0.81823 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17643 0.00204 0.05489 -0.18686 -0.57 0 -5.18125\r\n< ALA_223 -5.23484 0.50209 1.53103 0.00113 -0.78563 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.24987 0.21101 0 -0.14113 0.05 0 -4.11621\r\n< LYS_224 -4.32974 0.32094 2.71403 0.0079 -0.6944 0 -0.04022 0 0 0 0 0 0 0 0 0 0 0 0 -0.10515 0.11605 0.53265 0.01473 -0.42 0 -1.88321\r\n---\r\n> VAL_222 -5.87447 0.49749 1.87506 0.01419 -0.8181 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17643 0.00204 0.05489 -0.18686 -0.57 0 -5.18218\r\n> ALA_223 -5.23895 0.52799 1.52996 0.00113 -0.78535 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.24987 0.21101 0 -0.14113 0.05 0 -4.09521\r\n> LYS_224 -4.33007 0.32094 2.71424 0.0079 -0.69433 0 -0.04022 0 0 0 0 0 0 0 0 0 0 0 0 -0.10515 0.11605 0.53265 0.01473 -0.42 0 -1.88326\r\n5268,5269c5268,5269\r\n< ALA_226 -4.79785 0.19935 1.71436 0.00113 -0.84972 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22846 0.02231 0 -0.00545 0.05 0 -3.89433\r\n< VAL_227 -5.18237 1.08715 1.60514 0.01984 -0.76197 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22321 0.41026 0.73199 0.02795 -0.57 0 -2.85521\r\n---\r\n> ALA_226 -4.7962 0.19855 1.71488 0.00113 -0.84951 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22846 0.02231 0 -0.00545 0.05 0 -3.89274\r\n> VAL_227 -5.17747 1.08648 1.60535 0.01984 -0.76225 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22321 0.41026 0.73199 0.02795 -0.57 0 -2.85107\r\n5272c5272\r\n< LEU_230 -7.14976 0.75593 2.26909 0.02256 -0.52402 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17248 -0.01559 1.49824 -0.18006 -0.66 0 -4.1561\r\n---\r\n> LEU_230 -7.14971 0.75593 2.26909 0.02256 -0.5241 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17248 -0.01559 1.49824 -0.18006 -0.66 0 -4.15613\r\n5276c5276\r\n< TYR_234 -3.99744 0.46264 1.25002 0.01942 -0.15452 0 0 0 0 0 -0.26808 0 0 0 0 0 0 0 0 0.02414 -0.01448 1.14346 -0.18285 0.81 0 -0.90769\r\n---\r\n> TYR_234 -3.99743 0.46264 1.25002 0.01942 -0.15452 0 0 0 0 0 -0.26808 0 0 0 0 0 0 0 0 0.02414 -0.01448 1.14346 -0.18285 0.81 0 -0.90768\r\n5278,5302c5278,5302\r\n< THR_236 -4.22011 0.34503 2.13783 0.00724 -0.4451 0 -0.09277 0 0 0 -0.79874 0 0 0 0 0 0 0 0 -0.10345 -0.05555 0.0276 0.07365 -0.57 0 -3.69435\r\n< SER_237 -2.19957 0.11318 1.39159 0.00225 -0.2417 0 -0.39521 0 0 -0.35187 0 0 0 0 0 0 0 0 0 0.0492 -0.05234 0.22417 0.35178 0 0 -1.10851\r\n< TYR_238 -7.39955 1.61543 1.1503 0.01916 -0.17779 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11479 0.05899 3.71425 -0.30405 0.81 0 -0.62805\r\n< LYS_239 -2.92776 0.57307 1.38513 0.0059 -0.84284 0 0.0081 0 0 0 0 0 0 0 0 0 0 0 0 -0.06266 0.26659 0.53603 -0.02452 -0.42 0 -1.50296\r\n< TYR_240 -5.67497 0.74 1.16272 0.01949 -0.22938 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08786 0.14097 0.80259 -0.28655 0.81 0 -2.60298\r\n< GLY_241 -3.09121 0.30425 1.9902 0.00057 -0.4956 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.18157 -0.1287 0 -1.26156 -0.55 0 -3.05049\r\n< SER_242 -5.2604 0.42151 4.40453 0.00162 -1.20779 0 -0.067 0 0 0 0 0 0 0 0 0 0.06083 0 0 -0.21734 0.03375 0.68374 -0.08 0 0 -1.22655\r\n< ILE_243 -6.57365 0.61175 2.87272 0.02287 -0.8639 0 0 0 0 0 0 0 0 0 0 0 0.0563 0 0 0.20982 0.30806 0.20019 0.08425 -0.73 0 -3.80158\r\n< ILE_244 -6.52892 1.14164 1.72947 0.01888 -0.27569 0 0 0 0 0 0 0 0 0 0 0 0.02914 0 0 -0.26292 -0.12548 0.56445 0.26285 -0.73 0 -4.17658\r\n< THR_245 -3.07478 0.82196 2.29334 0.00731 -0.4532 0 -0.03687 0 0 0 0 0 0 0 0 0 0.22698 0 0 -0.14901 -0.04082 0.17911 -0.1782 -0.57 0 -0.97417\r\n< THR_246 -4.11565 0.6228 2.13469 0.00712 -0.33387 0 -0.0432 0 0 0 0 0 0 0 0 0 0.07573 0 0 0.29306 1.24037 0.3575 -0.13958 -0.57 0 -0.47102\r\n< ILE_247 -4.10971 1.60946 0.27226 0.02291 -0.15088 0 0 0 0 0 0 0 0 0 0 0 0.33919 0 0 0.48099 0.15431 0.48601 -0.1472 -0.73 0 -1.77266\r\n< TYR_248 -5.41155 0.84822 2.3564 0.02631 0.25004 0 0 0 0 0 -0.78324 0 0 0 0 0 0.2951 0 0 0.18003 0.02203 3.1754 -0.15678 0.81 0 1.61195\r\n< GLN_249 -5.05799 0.68645 1.93803 0.00553 -0.3388 0 -0.01846 0 0 0 0 0 0 0 0 0 0.0921 0 0 -0.19888 -0.0485 1.43451 0.09108 -0.29 0 -1.70492\r\n< ALA_250 -3.98631 0.25358 1.50818 0.00115 -0.34088 0 0 0 0 0 0 0 0 0 0 0 0.05416 0 0 0.31285 -0.05023 0 0.07403 0.05 0 -2.12347\r\n< SER_251 -4.76644 0.77214 3.6146 0.00126 -0.93314 0 -0.0868 0 0 -0.54015 0 0 0 0 0 0 0.02843 0 0 0.02817 0.1569 0.31537 -0.04938 0 0 -1.45902\r\n< GLY_252 -3.75909 0.39298 2.29004 9e-05 -0.91214 0 0 0 0 0 0 0 0 0 0 0 0.06401 0 0 -0.35013 -0.07162 0 -1.06008 -0.55 0 -3.95594\r\n< GLY_253 -2.93618 0.11625 2.04014 2e-05 -0.71134 0 0 0 0 0 0 0 0 0 0 0 0.01105 0 0 -0.05188 0.24006 0 0.45389 -0.55 0 -1.38798\r\n< SER_254 -4.49105 0.54437 2.79334 0.00156 -0.55082 0 -0.59007 0 0 -0.62153 0 0 0 0 0 0 0 0 0 -0.23463 0.0167 0.32645 0.19821 0 0 -2.60746\r\n< ILE_255 -7.72217 4.84895 2.7125 0.05265 -0.44097 0 0 0 0 -0.61442 0 0 0 0 0 0 0 0 0 -0.25724 0.06502 2.37271 0.12575 -0.73 0 0.41279\r\n< ASP_256 -6.16945 0.53521 4.39779 0.00369 -2.03961 0 -0.14791 0 0 -1.02075 0 0 0 0 0 0 0 0 0 -0.08724 0.40694 0.88292 0.05622 -0.65 0 -3.83219\r\n< TRP_257 -9.14517 0.866 2.56152 0.0171 -0.69217 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09351 0.00334 0.77263 -0.27122 2.88 0 -3.10147\r\n< SER_258 -6.02682 0.41804 4.00178 0.00125 -0.88785 0 -0.19462 0 0 0 -0.98525 0 0 0 0 0 0 0 0 -0.1501 0.02964 0.73578 0.23576 0 0 -2.82238\r\n< TYR_259 -8.12334 0.7326 3.64907 0.01698 -1.24473 0 0 0 0 0 -0.6875 0 0 0 0 0 0 0 0 -0.21663 -0.03459 1.11114 0.15988 0.81 0 -3.82712\r\n< ASN_260 -3.8999 0.2022 2.90486 0.00682 -0.46203 0 -0.0943 0 0 0 -1.75601 0 0 0 0 0 0 0 0 -0.27792 0.88213 0.74779 0.03651 -0.76 0 -2.46986\r\n---\r\n> THR_236 -4.21867 0.34387 2.13717 0.00724 -0.44471 0 -0.09182 0 0 0 -0.79874 0 0 0 0 0 0 0 0 -0.10345 -0.05555 0.0276 0.07365 -0.57 0 -3.6934\r\n> SER_237 -2.19955 0.11779 1.39502 0.00225 -0.24371 0 -0.39554 0 0 -0.32781 0 0 0 0 0 0 0 0 0 0.0492 -0.05234 0.22417 0.35178 0 0 -1.07874\r\n> TYR_238 -7.37791 1.58033 1.14922 0.01916 -0.17773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11479 0.05899 3.71425 -0.30405 0.81 0 -0.64253\r\n> LYS_239 -2.88279 0.4952 1.37447 0.0059 -0.84059 0 0.0081 0 0 0 0 0 0 0 0 0 0 0 0 -0.06266 0.26659 0.53603 -0.02452 -0.42 0 -1.54427\r\n> TYR_240 -5.66945 0.71956 1.15834 0.01949 -0.22791 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08786 0.14097 0.80259 -0.28655 0.81 0 -2.62082\r\n> GLY_241 -3.07498 0.3256 1.98826 0.00057 -0.49518 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17535 -0.12128 0 -1.26054 -0.55 0 -3.0122\r\n> SER_242 -5.26881 0.54141 4.35404 0.00162 -1.1977 0 -0.06445 0 0 0 0 0 0 0 0 0 0 0 0 -0.22834 0.01774 0.69211 -0.10932 0 0 -1.2617\r\n> ILE_243 -6.57831 0.64033 2.88357 0.0231 -0.88042 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.19394 0.37145 0.15911 0.03726 -0.73 0 -3.87998\r\n> ILE_244 -6.63391 1.12528 1.76814 0.01865 -0.34857 0 0 0 0 0 0 0 0 0 0 0 0.05727 0 0 -0.26737 -0.10871 0.60774 0.24639 -0.73 0 -4.26509\r\n> THR_245 -3.08694 0.80414 2.23284 0.00748 -0.41339 0 -0.03418 0 0 0 0 0 0 0 0 0 0.28876 0 0 -0.14474 -0.0103 0.21881 -0.14195 -0.57 0 -0.84946\r\n> THR_246 -4.07297 0.54147 2.08857 0.00773 -0.31796 0 -0.04125 0 0 0 0 0 0 0 0 0 0.07505 0 0 0.28687 0.68822 0.25876 -0.13759 -0.57 0 -1.19311\r\n> ILE_247 -4.63495 1.829 0.25475 0.02464 -0.30155 0 0 0 0 0 0 0 0 0 0 0 0.19057 0 0 0.46052 0.38965 0.58091 -0.20133 -0.73 0 -2.13779\r\n> TYR_248 -6.90477 1.37632 2.58292 0.02814 0.06349 0 0 0 0 0 -0.74915 0 0 0 0 0 0.19159 0 0 0.26875 0.13362 3.50332 0.03568 0.81 0 1.33991\r\n> GLN_249 -5.13412 0.60189 2.0059 0.00559 -0.29476 0 -0.01827 0 0 0 0 0 0 0 0 0 0.03979 0 0 -0.2004 -0.06726 1.46247 0.09096 -0.29 0 -1.79821\r\n> ALA_250 -3.97452 0.28625 1.50716 0.00118 -0.32164 0 0 0 0 0 0 0 0 0 0 0 0.04435 0 0 0.33294 -0.05735 0 0.07777 0.05 0 -2.05387\r\n> SER_251 -4.64648 0.75747 3.50288 0.00122 -0.80867 0 -0.08644 0 0 -0.54795 0 0 0 0 0 0 0.03577 0 0 0.0209 0.04349 0.25164 -0.08964 0 0 -1.56579\r\n> GLY_252 -3.76158 0.30066 2.29698 9e-05 -0.90525 0 0 0 0 0 0 0 0 0 0 0 0.02947 0 0 -0.3008 0.06705 0 -0.9526 -0.55 0 -3.77597\r\n> GLY_253 -2.93925 0.12526 2.04304 2e-05 -0.7125 0 0 0 0 0 0 0 0 0 0 0 0.00811 0 0 -0.04996 0.28745 0 0.43704 -0.55 0 -1.35079\r\n> SER_254 -4.49599 0.54456 2.8025 0.00156 -0.55766 0 -0.5894 0 0 -0.6233 0 0 0 0 0 0 0 0 0 -0.23463 0.0167 0.32645 0.19821 0 0 -2.61099\r\n> ILE_255 -7.73341 4.80797 2.72104 0.05251 -0.4415 0 0 0 0 -0.6183 0 0 0 0 0 0 0 0 0 -0.25724 0.06502 2.35851 0.12575 -0.73 0 0.35036\r\n> ASP_256 -6.22375 0.57214 4.43325 0.00369 -2.05034 0 -0.1483 0 0 -1.05198 0 0 0 0 0 0 0 0 0 -0.08724 0.40694 0.88292 0.05622 -0.65 0 -3.85645\r\n> TRP_257 -9.14526 0.866 2.56166 0.0171 -0.69241 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.09351 0.00334 0.77263 -0.27122 2.88 0 -3.10166\r\n> SER_258 -6.02662 0.41804 4.00175 0.00125 -0.8879 0 -0.19472 0 0 0 -0.98525 0 0 0 0 0 0 0 0 -0.1501 0.02964 0.73578 0.23576 0 0 -2.82236\r\n> TYR_259 -8.13395 0.73842 3.65186 0.01698 -1.24395 0 0 0 0 0 -0.6875 0 0 0 0 0 0 0 0 -0.21663 -0.03459 1.11114 0.15988 0.81 0 -3.82834\r\n> ASN_260 -3.90923 0.20257 2.91212 0.00682 -0.4605 0 -0.0943 0 0 0 -1.72585 0 0 0 0 0 0 0 0 -0.27792 0.88213 0.74779 0.03651 -0.76 0 -2.43986\r\n5306,5324c5306,5324\r\n< LYS_264 -4.27175 0.18181 2.78499 0.02435 -1.39381 0 -1.49317 0 0 0 -0.81414 0 0 0 0 0 0 0 0 -0.13826 -0.02642 2.31817 0.01226 -0.42 0 -3.23597\r\n< TYR_265 -6.93226 0.39001 2.34152 0.01757 -0.8309 0 0 0 0 0 -0.41559 0 0 0 0 0 0 0 0 0.31484 0.05788 1.22752 0.0558 0.81 0 -2.96361\r\n< SER_266 -5.46717 2.99667 2.9016 0.00137 -0.71738 0 -0.0617 0 0 0 -0.98525 0 0 0 0 0 0 0 0 0.23871 -0.00975 0.45366 0.40001 0 0 -0.24923\r\n< PHE_267 -8.27861 1.04999 0.69648 0.01756 -0.93824 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05854 0.3038 0.9455 -0.11324 1.88 0 -4.49529\r\n< THR_268 -5.48604 1.00156 2.7803 0.01218 -1.25023 0 -0.3123 0 0 0 -0.93261 0 0 0 0 0 0 0 0 0.01921 0.24867 0.945 -0.11651 -0.57 0 -3.66076\r\n< PHE_269 -6.77006 0.41998 0.85028 0.01749 -0.66199 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08524 0.47469 0.9584 -0.19767 1.88 0 -3.11412\r\n< GLU_270 -7.22853 0.84466 4.11099 0.00952 -0.98904 0 -0.36232 0 0 0 0 0 0 0 0 0 0 0 0 0.17709 -0.06043 2.48508 0.2441 -0.27 0 -1.03889\r\n< LEU_271 -7.05962 0.57754 1.95662 0.01445 -1.22919 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.48525 -0.08889 0.16994 0.6831 -0.66 0 -5.15082\r\n< ARG_272 -5.88889 1.98634 3.29581 0.01237 -0.59416 0 -0.49575 0 0 0 -1.07306 0 0 0 0 0 0 0 0 -0.14223 0.00151 1.44469 0.09963 -0.77 0 -2.12375\r\n< ASP_273 -5.82938 1.75354 5.06494 0.00292 -2.52939 0 -0.42765 0 0 -2.25228 0 0 0 0 0 0 0 0 0 0.62506 0.35815 1.40343 -0.11641 -0.65 0 -2.59707\r\n< THR_274 -2.34327 0.21966 0.98223 0.00539 0.09858 0 -0.21182 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 0.12362 0.01008 -0.13837 -0.57 0 -1.72971\r\n< GLY_275 -2.15596 0.29026 1.63264 0.00017 -0.16362 0 0 0 0 -0.43116 0 0 0 0 0 0 0 0 0 -0.01817 -0.09847 0 -1.25656 -0.55 0 -2.75087\r\n< ARG_276 -2.6318 0.21209 1.7644 0.01428 -0.00908 0 -0.36642 0 0 0 0 0 0 0 0 0 0.00968 0 0 -0.00356 0.30002 1.17497 -0.04003 -0.77 0 -0.34547\r\n< TYR_277 -5.47023 0.48037 2.38343 0.01651 -1.06244 0 0 0 0 -0.99187 0 0 0 0 0 0 0.01472 0 0 0.00066 0.09879 0.94252 -0.16564 0.81 0 -2.94317\r\n< GLY_278 -3.02963 0.25783 1.82722 2e-05 -0.14854 0 0 0 0 -0.82925 0 0 0 0 0 0 0.01466 0 0 0.01772 -0.28305 0 -1.12281 -0.55 0 -3.84583\r\n< PHE_279 -6.18992 0.58655 1.44206 0.01847 -0.09941 0 0 0 0 0 0 0 0 0 0 0 0.00215 0 0 -0.25131 -0.05083 1.51409 0.02823 1.88 0 -1.11992\r\n< LEU_280 -2.61275 0.1947 1.03624 0.01624 -0.27519 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.33201 -0.00621 0.04464 0.02126 -0.66 0 -1.90907\r\n< LEU_281 -5.35949 0.53531 1.35692 0.01376 -0.39031 0.16215 0 0 0 -0.39771 0 0 0 0 0 0 0 0 0 -0.17253 -0.09198 0.34586 -0.08508 -0.66 0 -4.74308\r\n< PRO_282 -4.34751 0.63437 1.78246 0.01452 -0.34272 0.28333 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27621 -0.06544 0.06543 -0.86816 -0.33 0 -3.44992\r\n---\r\n> LYS_264 -4.27184 0.18181 2.78505 0.02435 -1.3942 0 -1.49317 0 0 0 -0.81414 0 0 0 0 0 0 0 0 -0.13826 -0.02642 2.31817 0.01226 -0.42 0 -3.23639\r\n> TYR_265 -6.93225 0.39001 2.34152 0.01757 -0.8309 0 0 0 0 0 -0.41559 0 0 0 0 0 0 0 0 0.31484 0.05788 1.22752 0.0558 0.81 0 -2.96362\r\n> SER_266 -5.47379 2.99967 2.9058 0.00137 -0.72049 0 -0.0617 0 0 0 -0.98525 0 0 0 0 0 0 0 0 0.23871 -0.00975 0.45366 0.40001 0 0 -0.25174\r\n> PHE_267 -8.2975 1.07431 0.69493 0.01756 -0.93792 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05854 0.3038 0.9455 -0.11324 1.88 0 -4.49109\r\n> THR_268 -5.52317 1.04596 2.79228 0.01191 -1.26533 0 -0.31332 0 0 0 -0.90553 0 0 0 0 0 0 0 0 0.01921 0.24867 0.85613 -0.11651 -0.57 0 -3.7197\r\n> PHE_269 -6.78832 0.40727 0.88938 0.01749 -0.63757 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08524 0.47469 0.9584 -0.19767 1.88 0 -3.08157\r\n> GLU_270 -7.09903 0.75556 4.17333 0.00796 -1.03751 0 -0.34422 0 0 0 0 0 0 0 0 0 0 0 0 0.17709 -0.06043 2.13271 0.2441 -0.27 0 -1.32043\r\n> LEU_271 -6.9324 0.48407 1.8886 0.01445 -1.19382 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.48525 -0.08889 0.16994 0.6831 -0.66 0 -5.14971\r\n> ARG_272 -5.85228 1.92951 3.24354 0.01269 -0.56145 0 -0.50809 0 0 0 -1.08119 0 0 0 0 0 0 0 0 -0.14223 0.00151 1.5142 0.09963 -0.77 0 -2.11415\r\n> ASP_273 -5.86463 1.77526 5.09687 0.00292 -2.53316 0 -0.43333 0 0 -2.31667 0 0 0 0 0 0 0 0 0 0.62506 0.35815 1.40343 -0.11641 -0.65 0 -2.6525\r\n> THR_274 -2.39912 0.21553 1.00454 0.00539 0.08726 0 -0.2106 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 0.12362 0.01008 -0.13837 -0.57 0 -1.77747\r\n> GLY_275 -2.36961 0.39568 1.64023 0.00017 -0.14885 0 0 0 0 -0.44629 0 0 0 0 0 0 0 0 0 -0.0373 -0.11093 0 -1.25721 -0.55 0 -2.88411\r\n> ARG_276 -2.59856 0.18251 1.76976 0.01447 0.01997 0 -0.38526 0 0 0 0 0 0 0 0 0 0.01067 0 0 0.02791 0.42714 1.08967 -0.02009 -0.77 0 -0.23181\r\n> TYR_277 -5.34412 0.39131 2.34201 0.0165 -1.03869 0 0 0 0 -1.00833 0 0 0 0 0 0 0.00691 0 0 -0.02337 0.15088 0.95913 -0.14829 0.81 0 -2.88607\r\n> GLY_278 -3.07154 0.46397 1.8742 2e-05 -0.17737 0 0 0 0 -0.86205 0 0 0 0 0 0 0.01275 0 0 0.02894 -0.29794 0 -1.11534 -0.55 0 -3.69438\r\n> PHE_279 -5.58402 0.38071 1.5401 0.01782 -0.1713 0 0 0 0 0 0 0 0 0 0 0 0.00702 0 0 -0.24859 -0.02624 1.44013 0.04246 1.88 0 -0.7219\r\n> LEU_280 -2.58375 0.16196 1.05688 0.01624 -0.31241 0 0 0 0 0 0 0 0 0 0 0 0.00137 0 0 0.30342 0.11154 0.0467 0.03806 -0.66 0 -1.81999\r\n> LEU_281 -5.33609 0.53663 1.36249 0.01376 -0.40016 0.16215 0 0 0 -0.39771 0 0 0 0 0 0 0 0 0 -0.1303 -0.10986 0.33592 -0.04198 -0.66 0 -4.66516\r\n> PRO_282 -4.34778 0.61158 1.78538 0.01452 -0.33394 0.28333 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.27621 -0.06544 0.06543 -0.86816 -0.33 0 -3.46129\r\n5326,5328c5326,5328\r\n< SER_284 -2.01831 0.16536 1.69599 0.00161 0.08015 0 -0.21622 0 0 0 -0.5912 0 0 0 0 0 0 0 0 -0.24745 -0.03775 0.07452 -0.3522 0 0 -1.44549\r\n< GLN_285 -5.639 0.6324 3.68176 0.00731 -1.47748 0 -0.35403 0 0 0 -1.66426 0 0 0 0 0 0 0 0 -0.13806 -0.0251 1.68022 -0.08285 -0.29 0 -3.6691\r\n< ILE_286 -6.95597 0.79073 1.1703 0.02441 -0.70674 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01899 -0.00637 0.08288 -0.39319 -0.73 0 -6.70494\r\n---\r\n> SER_284 -2.01829 0.16536 1.69599 0.00161 0.08158 0 -0.21429 0 0 0 -0.5912 0 0 0 0 0 0 0 0 -0.24745 -0.03775 0.07452 -0.3522 0 0 -1.44212\r\n> GLN_285 -5.6251 0.59886 3.66281 0.00731 -1.46632 0 -0.36006 0 0 0 -1.67239 0 0 0 0 0 0 0 0 -0.13806 -0.0251 1.68022 -0.08285 -0.29 0 -3.7107\r\n> ILE_286 -6.95595 0.79073 1.1703 0.02441 -0.70674 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01899 -0.00637 0.08288 -0.39319 -0.73 0 -6.70492\r\n5330,5331c5330,5331\r\n< PRO_288 -4.75302 0.20934 2.0132 0.01453 -0.32937 2.43881 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08296 0.04362 0.22944 1.36992 -0.33 0 0.82352\r\n< THR_289 -5.66188 0.35833 3.46949 0.00888 -1.47367 0 -0.05973 0 0 0 0 0 0 0 0 0 0 0 0 -0.01929 0.09761 -0.00356 -0.02283 -0.57 0 -3.87664\r\n---\r\n> PRO_288 -4.74316 0.20934 2.00579 0.01453 -0.32991 2.43881 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08296 0.04362 0.22944 1.36992 -0.33 0 0.82541\r\n> THR_289 -5.64109 0.34951 3.44675 0.00888 -1.46661 0 -0.064 0 0 0 0 0 0 0 0 0 0 0 0 -0.01929 0.09761 -0.00356 -0.02283 -0.57 0 -3.88463\r\n5334,5335c5334,5335\r\n< GLU_292 -7.21067 0.80698 4.62277 0.01136 -1.34548 0 -0.4213 0 0 0 -0.79874 0 0 0 0 0 0 0 0 -0.2193 0.08793 2.67004 -0.2302 -0.27 0 -2.29661\r\n< THR_293 -5.67933 0.69351 2.51918 0.00779 -1.26769 0 -0.17487 0 0 0 0 0 0 0 0 0 0 0 0 -0.14357 0.24393 0.18573 0.07878 -0.57 0 -4.10654\r\n---\r\n> GLU_292 -7.20717 0.80497 4.61475 0.01136 -1.34488 0 -0.41429 0 0 0 -0.79874 0 0 0 0 0 0 0 0 -0.2193 0.08793 2.67004 -0.2302 -0.27 0 -2.29551\r\n> THR_293 -5.67936 0.69351 2.51918 0.00779 -1.26765 0 -0.17487 0 0 0 0 0 0 0 0 0 0 0 0 -0.14357 0.24393 0.18573 0.07878 -0.57 0 -4.10653\r\n5338c5338\r\n< GLY_296 -3.89094 0.10294 2.2131 0.00011 -0.52678 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.13167 0.1584 0 0.43774 -0.55 0 -1.92376\r\n---\r\n> GLY_296 -3.89084 0.10294 2.2131 0.00011 -0.52683 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.13167 0.1584 0 0.43774 -0.55 0 -1.92371\r\n5342c5342\r\n< ILE_300 -6.49509 0.47665 1.30495 0.0233 -0.80611 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15734 -0.05634 0.08329 -0.30651 -0.73 0 -6.6632\r\n---\r\n> ILE_300 -6.49596 0.47619 1.30431 0.0233 -0.80613 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15734 -0.05634 0.08329 -0.30651 -0.73 0 -6.66519\r\n5350,5356c5350,5356\r\n< ZNx_308 -0.84418 1.78418 0.88954 0 -7.46423 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -5.63469\r\n< CP1_309 -4.88482 0.52639 0.85166 0.07003 0.01396 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.42277\r\n< TP3_310 -1.10686 0.03664 1.44506 0 -0.11199 0 0 0 0 0 -0.62832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.36548\r\n< TP3_311 -0.50017 0.00096 0.66595 0 -0.29713 0 0 0 0 0 -0.87856 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.00896\r\n< TP3_312 -0.23225 0 0.29753 0 -0.40474 0 0 0 0 0 -0.11017 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.44964\r\n< TP3_313 -0.2011 0 0.25698 0 -0.38796 0 0 0 0 0 -0.11017 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.44226\r\n< TP3_314 -0.75338 0.02729 1.08481 0 -0.57503 0 0 0 0 -0.61442 -0.93261 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.76333\r\n---\r\n> ZNx_308 -0.84193 1.71585 0.88896 0 -7.49949 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -5.73662\r\n> CP1_309 -4.15916 0.66315 0.28586 0.07003 -0.20711 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.34722\r\n> TP3_310 -1.07831 0.0661 1.42932 0 0.09079 0 0 0 0 0 -0.41475 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.09316\r\n> TP3_311 -1.08181 0.2973 1.60836 0 -0.39881 0 0 0 0 0 -0.01248 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.41257\r\n> TP3_312 -0.08819 0 0.17413 0 -0.38035 0 0 0 0 0 -0.15996 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.45436\r\n> TP3_313 -0.19581 0 0.28633 0 -0.38287 0 0 0 0 0 -0.15996 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523\r\n> TP3_314 -0.76798 0.02712 1.11253 0 -0.59363 0 0 0 0 -0.6183 -0.90553 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.74578\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_dock_script/log /home/benchmark/working_dir/master:61988/ligand_dock_script/log\r\n3737c3737\r\n< core.pack.pack_rotamers: built 4486 rotamers at 47 positions.\r\n---\r\n> core.pack.pack_rotamers: built 4115 rotamers at 46 positions.\r\n3743c3743\r\n< protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -1116.14 -1116.3\r\n---\r\n> protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -1115.31 -1115.32\r\n3745,3746c3745,3746\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: 851.339\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -1097.65\r\n---\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: 843.563\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -1090.5\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_dock_script/score.sc /home/benchmark/working_dir/master:61988/ligand_dock_script/score.sc\r\n3c3\r\n< SCORE: -1097.646 0.000 0.000 0.000 4.547 0.000 0.000 0.000 0.000 0.000 -1537.351 253.241 -209.471 3.241 -44.512 188.374 709.123 -55.511 -119.697 -54.676 -206.402 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -9.770 0.000 0.028 0.000 0.000 1.053 1.703 -0.048 0.000 -0.267 0.000 0.000 0.000 0.000 0.000 0.000 -7.301 5.423 1.000 5.304 9.774 4.335 36.889 -38.508 31.229 -20.652 -37.510 7cpa_input_0001\r\n---\r\n> SCORE: -1090.503 0.000 0.000 0.000 3.772 0.000 0.000 0.000 0.000 0.000 -1535.835 253.526 -208.916 3.244 -44.439 189.945 709.283 -53.953 -116.528 -53.826 -206.844 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -8.318 0.000 -0.414 0.000 0.000 1.326 0.572 -0.010 0.000 -0.073 0.000 0.000 0.000 0.000 0.000 0.000 -6.918 7.030 1.000 5.304 9.914 4.335 35.452 -38.367 31.184 -20.690 -37.510 7cpa_input_0001\r\n",
"state": "failed"
},
"ligand_motif_design": {
"log": "",
"state": "passed"
},
"ligand_motif_discovery": {
"log": "",
"state": "passed"
},
"ligand_motif_identification": {
"log": "",
"state": "passed"
},
"ligand_water_docking": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_1HXW_input_0001.pdb and /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_1HXW_input_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_log and /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_log differ\r\nFiles /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_score.sc and /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_score.sc differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_1HXW_input_0001.pdb /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_1HXW_input_0001.pdb\r\n420,424c420,424\r\n< ATOM 409 C THR A 25 16.786 30.828 5.872 1.00 0.00 C \r\n< ATOM 410 O THR A 25 15.725 31.298 6.278 1.00 0.00 O \r\n< ATOM 411 CB THR A 25 16.938 28.903 7.482 1.00 0.00 C \r\n< ATOM 412 OG1 THR A 25 17.837 28.004 8.143 1.00 0.00 O \r\n< ATOM 413 CG2 THR A 25 16.051 28.117 6.529 1.00 0.00 C \r\n---\r\n> ATOM 409 C THR A 25 16.784 30.827 5.875 1.00 0.00 C \r\n> ATOM 410 O THR A 25 15.725 31.301 6.285 1.00 0.00 O \r\n> ATOM 411 CB THR A 25 16.941 28.900 7.481 1.00 0.00 C \r\n> ATOM 412 OG1 THR A 25 17.843 28.003 8.141 1.00 0.00 O \r\n> ATOM 413 CG2 THR A 25 16.055 28.113 6.528 1.00 0.00 C \r\n426,474c426,474\r\n< ATOM 415 HA THR A 25 18.394 29.464 6.000 1.00 0.00 H \r\n< ATOM 416 HB THR A 25 16.315 29.389 8.232 1.00 0.00 H \r\n< ATOM 417 HG1 THR A 25 17.903 28.242 9.071 1.00 0.00 H \r\n< ATOM 418 1HG2 THR A 25 15.489 27.369 7.088 1.00 0.00 H \r\n< ATOM 419 2HG2 THR A 25 15.358 28.796 6.032 1.00 0.00 H \r\n< ATOM 420 3HG2 THR A 25 16.669 27.621 5.782 1.00 0.00 H \r\n< ATOM 421 N GLY A 26 17.071 31.050 4.608 1.00 0.00 N \r\n< ATOM 422 CA GLY A 26 16.319 31.849 3.659 1.00 0.00 C \r\n< ATOM 423 C GLY A 26 15.072 31.112 3.182 1.00 0.00 C \r\n< ATOM 424 O GLY A 26 14.351 31.694 2.380 1.00 0.00 O \r\n< ATOM 425 H GLY A 26 17.917 30.591 4.303 1.00 0.00 H \r\n< ATOM 426 1HA GLY A 26 16.020 32.782 4.137 1.00 0.00 H \r\n< ATOM 427 2HA GLY A 26 16.952 32.072 2.800 1.00 0.00 H \r\n< ATOM 428 N ALA A 27 14.799 30.022 3.508 1.00 0.00 N \r\n< ATOM 429 CA ALA A 27 13.694 29.149 3.147 1.00 0.00 C \r\n< ATOM 430 C ALA A 27 12.562 29.110 4.161 1.00 0.00 C \r\n< ATOM 431 O ALA A 27 11.526 28.506 3.896 1.00 0.00 O \r\n< ATOM 432 CB ALA A 27 14.219 27.739 2.919 1.00 0.00 C \r\n< ATOM 433 H ALA A 27 15.615 29.625 3.952 1.00 0.00 H \r\n< ATOM 434 HA ALA A 27 13.249 29.512 2.220 1.00 0.00 H \r\n< ATOM 435 1HB ALA A 27 13.397 27.088 2.620 1.00 0.00 H \r\n< ATOM 436 2HB ALA A 27 14.973 27.754 2.132 1.00 0.00 H \r\n< ATOM 437 3HB ALA A 27 14.662 27.362 3.839 1.00 0.00 H \r\n< ATOM 438 N ASP A 28 12.728 29.716 5.331 1.00 0.00 N \r\n< ATOM 439 CA ASP A 28 11.720 29.740 6.412 1.00 0.00 C \r\n< ATOM 440 C ASP A 28 11.120 31.112 6.601 1.00 0.00 C \r\n< ATOM 441 O ASP A 28 11.869 32.090 6.773 1.00 0.00 O \r\n< ATOM 442 CB ASP A 28 12.333 29.281 7.737 1.00 0.00 C \r\n< ATOM 443 CG ASP A 28 12.710 27.805 7.735 1.00 0.00 C \r\n< ATOM 444 OD1 ASP A 28 12.622 27.191 6.699 1.00 0.00 O \r\n< ATOM 445 OD2 ASP A 28 13.081 27.307 8.771 1.00 0.00 O \r\n< ATOM 446 H ASP A 28 13.611 30.186 5.472 1.00 0.00 H \r\n< ATOM 447 HA ASP A 28 10.890 29.082 6.158 1.00 0.00 H \r\n< ATOM 448 1HB ASP A 28 13.227 29.868 7.947 1.00 0.00 H \r\n< ATOM 449 2HB ASP A 28 11.626 29.460 8.547 1.00 0.00 H \r\n< ATOM 450 N ASP A 29 9.788 31.219 6.580 1.00 0.00 N \r\n< ATOM 451 CA ASP A 29 9.155 32.538 6.663 1.00 0.00 C \r\n< ATOM 452 C ASP A 29 8.792 32.897 8.124 1.00 0.00 C \r\n< ATOM 453 O ASP A 29 8.378 34.022 8.410 1.00 0.00 O \r\n< ATOM 454 CB ASP A 29 7.900 32.579 5.788 1.00 0.00 C \r\n< ATOM 455 CG ASP A 29 8.206 32.418 4.305 1.00 0.00 C \r\n< ATOM 456 OD1 ASP A 29 9.317 32.687 3.915 1.00 0.00 O \r\n< ATOM 457 OD2 ASP A 29 7.325 32.028 3.576 1.00 0.00 O \r\n< ATOM 458 H ASP A 29 9.291 30.495 6.515 1.00 0.00 H \r\n< ATOM 459 HA ASP A 29 9.823 33.210 6.346 1.00 0.00 H \r\n< ATOM 460 1HB ASP A 29 7.219 31.784 6.091 1.00 0.00 H \r\n< ATOM 461 2HB ASP A 29 7.383 33.527 5.937 1.00 0.00 H \r\n< ATOM 462 N THR A 30 8.900 31.896 8.968 1.00 0.00 N \r\n< ATOM 463 CA THR A 30 8.571 31.968 10.380 1.00 0.00 C \r\n---\r\n> ATOM 415 HA THR A 25 18.394 29.466 5.999 1.00 0.00 H \r\n> ATOM 416 HB THR A 25 16.317 29.384 8.232 1.00 0.00 H \r\n> ATOM 417 HG1 THR A 25 17.912 28.243 9.068 1.00 0.00 H \r\n> ATOM 418 1HG2 THR A 25 15.495 27.364 7.087 1.00 0.00 H \r\n> ATOM 419 2HG2 THR A 25 15.360 28.791 6.033 1.00 0.00 H \r\n> ATOM 420 3HG2 THR A 25 16.674 27.619 5.780 1.00 0.00 H \r\n> ATOM 421 N GLY A 26 17.062 31.045 4.609 1.00 0.00 N \r\n> ATOM 422 CA GLY A 26 16.307 31.844 3.661 1.00 0.00 C \r\n> ATOM 423 C GLY A 26 15.068 31.099 3.176 1.00 0.00 C \r\n> ATOM 424 O GLY A 26 14.357 31.670 2.358 1.00 0.00 O \r\n> ATOM 425 H GLY A 26 17.905 30.584 4.301 1.00 0.00 H \r\n> ATOM 426 1HA GLY A 26 15.998 32.772 4.144 1.00 0.00 H \r\n> ATOM 427 2HA GLY A 26 16.941 32.076 2.806 1.00 0.00 H \r\n> ATOM 428 N ALA A 27 14.839 29.908 3.535 1.00 0.00 N \r\n> ATOM 429 CA ALA A 27 13.683 29.109 3.162 1.00 0.00 C \r\n> ATOM 430 C ALA A 27 12.655 28.932 4.267 1.00 0.00 C \r\n> ATOM 431 O ALA A 27 11.778 28.080 4.154 1.00 0.00 O \r\n> ATOM 432 CB ALA A 27 14.149 27.744 2.677 1.00 0.00 C \r\n> ATOM 433 H ALA A 27 15.657 29.447 3.908 1.00 0.00 H \r\n> ATOM 434 HA ALA A 27 13.159 29.611 2.348 1.00 0.00 H \r\n> ATOM 435 1HB ALA A 27 13.285 27.154 2.370 1.00 0.00 H \r\n> ATOM 436 2HB ALA A 27 14.823 27.870 1.830 1.00 0.00 H \r\n> ATOM 437 3HB ALA A 27 14.670 27.231 3.483 1.00 0.00 H \r\n> ATOM 438 N ASP A 28 12.742 29.693 5.352 1.00 0.00 N \r\n> ATOM 439 CA ASP A 28 11.733 29.729 6.433 1.00 0.00 C \r\n> ATOM 440 C ASP A 28 11.131 31.102 6.604 1.00 0.00 C \r\n> ATOM 441 O ASP A 28 11.880 32.084 6.761 1.00 0.00 O \r\n> ATOM 442 CB ASP A 28 12.347 29.287 7.763 1.00 0.00 C \r\n> ATOM 443 CG ASP A 28 12.774 27.825 7.763 1.00 0.00 C \r\n> ATOM 444 OD1 ASP A 28 12.717 27.211 6.724 1.00 0.00 O \r\n> ATOM 445 OD2 ASP A 28 13.152 27.338 8.801 1.00 0.00 O \r\n> ATOM 446 H ASP A 28 13.562 30.278 5.425 1.00 0.00 H \r\n> ATOM 447 HA ASP A 28 10.904 29.067 6.187 1.00 0.00 H \r\n> ATOM 448 1HB ASP A 28 13.218 29.905 7.986 1.00 0.00 H \r\n> ATOM 449 2HB ASP A 28 11.624 29.439 8.566 1.00 0.00 H \r\n> ATOM 450 N ASP A 29 9.799 31.206 6.584 1.00 0.00 N \r\n> ATOM 451 CA ASP A 29 9.164 32.525 6.662 1.00 0.00 C \r\n> ATOM 452 C ASP A 29 8.808 32.892 8.123 1.00 0.00 C \r\n> ATOM 453 O ASP A 29 8.411 34.023 8.407 1.00 0.00 O \r\n> ATOM 454 CB ASP A 29 7.904 32.558 5.793 1.00 0.00 C \r\n> ATOM 455 CG ASP A 29 8.202 32.383 4.310 1.00 0.00 C \r\n> ATOM 456 OD1 ASP A 29 9.312 32.649 3.912 1.00 0.00 O \r\n> ATOM 457 OD2 ASP A 29 7.318 31.985 3.590 1.00 0.00 O \r\n> ATOM 458 H ASP A 29 9.303 30.482 6.523 1.00 0.00 H \r\n> ATOM 459 HA ASP A 29 9.829 33.197 6.338 1.00 0.00 H \r\n> ATOM 460 1HB ASP A 29 7.224 31.766 6.108 1.00 0.00 H \r\n> ATOM 461 2HB ASP A 29 7.389 33.508 5.936 1.00 0.00 H \r\n> ATOM 462 N THR A 30 8.902 31.891 8.969 1.00 0.00 N \r\n> ATOM 463 CA THR A 30 8.570 31.970 10.380 1.00 0.00 C \r\n476,486c476,486\r\n< ATOM 465 O THR A 30 10.768 32.937 10.660 1.00 0.00 O \r\n< ATOM 466 CB THR A 30 8.119 30.590 10.896 1.00 0.00 C \r\n< ATOM 467 OG1 THR A 30 7.637 30.714 12.240 1.00 0.00 O \r\n< ATOM 468 CG2 THR A 30 9.276 29.603 10.865 1.00 0.00 C \r\n< ATOM 469 H THR A 30 9.239 31.024 8.586 1.00 0.00 H \r\n< ATOM 470 HA THR A 30 7.759 32.680 10.534 1.00 0.00 H \r\n< ATOM 471 HB THR A 30 7.311 30.213 10.268 1.00 0.00 H \r\n< ATOM 472 HG1 THR A 30 7.363 29.852 12.562 1.00 0.00 H \r\n< ATOM 473 1HG2 THR A 30 8.938 28.634 11.233 1.00 0.00 H \r\n< ATOM 474 2HG2 THR A 30 9.637 29.498 9.842 1.00 0.00 H \r\n< ATOM 475 3HG2 THR A 30 10.083 29.969 11.499 1.00 0.00 H \r\n---\r\n> ATOM 465 O THR A 30 10.769 32.936 10.660 1.00 0.00 O \r\n> ATOM 466 CB THR A 30 8.112 30.595 10.900 1.00 0.00 C \r\n> ATOM 467 OG1 THR A 30 7.634 30.725 12.245 1.00 0.00 O \r\n> ATOM 468 CG2 THR A 30 9.264 29.602 10.869 1.00 0.00 C \r\n> ATOM 469 H THR A 30 9.231 31.015 8.589 1.00 0.00 H \r\n> ATOM 470 HA THR A 30 7.761 32.685 10.530 1.00 0.00 H \r\n> ATOM 471 HB THR A 30 7.301 30.221 10.275 1.00 0.00 H \r\n> ATOM 472 HG1 THR A 30 7.356 29.865 12.570 1.00 0.00 H \r\n> ATOM 473 1HG2 THR A 30 8.922 28.636 11.240 1.00 0.00 H \r\n> ATOM 474 2HG2 THR A 30 9.622 29.492 9.846 1.00 0.00 H \r\n> ATOM 475 3HG2 THR A 30 10.074 29.966 11.500 1.00 0.00 H \r\n772,806c772,806\r\n< ATOM 761 N GLY A 48 5.470 29.317 16.636 1.00 0.00 N \r\n< ATOM 762 CA GLY A 48 5.933 27.980 16.222 1.00 0.00 C \r\n< ATOM 763 C GLY A 48 6.479 27.979 14.808 1.00 0.00 C \r\n< ATOM 764 O GLY A 48 6.633 28.996 14.112 1.00 0.00 O \r\n< ATOM 765 H GLY A 48 5.838 30.036 16.285 1.00 0.00 H \r\n< ATOM 766 1HA GLY A 48 6.721 27.651 16.900 1.00 0.00 H \r\n< ATOM 767 2HA GLY A 48 5.097 27.283 16.273 1.00 0.00 H \r\n< ATOM 768 N ILE A 49 6.809 26.772 14.374 1.00 0.00 N \r\n< ATOM 769 CA ILE A 49 7.342 26.515 13.023 1.00 0.00 C \r\n< ATOM 770 C ILE A 49 6.537 25.447 12.291 1.00 0.00 C \r\n< ATOM 771 O ILE A 49 5.625 24.828 12.856 1.00 0.00 O \r\n< ATOM 772 CB ILE A 49 8.817 26.080 13.086 1.00 0.00 C \r\n< ATOM 773 CG1 ILE A 49 8.952 24.763 13.855 1.00 0.00 C \r\n< ATOM 774 CG2 ILE A 49 9.665 27.165 13.731 1.00 0.00 C \r\n< ATOM 775 CD1 ILE A 49 10.304 24.103 13.703 1.00 0.00 C \r\n< ATOM 776 H ILE A 49 6.684 25.997 15.009 1.00 0.00 H \r\n< ATOM 777 HA ILE A 49 7.247 27.402 12.398 1.00 0.00 H \r\n< ATOM 778 HB ILE A 49 9.186 25.895 12.078 1.00 0.00 H \r\n< ATOM 779 1HG1 ILE A 49 8.777 24.941 14.915 1.00 0.00 H \r\n< ATOM 780 2HG1 ILE A 49 8.191 24.061 13.512 1.00 0.00 H \r\n< ATOM 781 1HG2 ILE A 49 10.705 26.841 13.769 1.00 0.00 H \r\n< ATOM 782 2HG2 ILE A 49 9.591 28.080 13.145 1.00 0.00 H \r\n< ATOM 783 3HG2 ILE A 49 9.307 27.354 14.744 1.00 0.00 H \r\n< ATOM 784 1HD1 ILE A 49 10.323 23.175 14.275 1.00 0.00 H \r\n< ATOM 785 2HD1 ILE A 49 10.486 23.883 12.650 1.00 0.00 H \r\n< ATOM 786 3HD1 ILE A 49 11.079 24.773 14.073 1.00 0.00 H \r\n< ATOM 787 N GLY A 50 6.887 25.176 11.004 1.00 0.00 N \r\n< ATOM 788 CA GLY A 50 6.204 24.144 10.230 1.00 0.00 C \r\n< ATOM 789 C GLY A 50 6.192 22.796 10.943 1.00 0.00 C \r\n< ATOM 790 O GLY A 50 5.224 22.056 10.788 1.00 0.00 O \r\n< ATOM 791 H GLY A 50 7.636 25.700 10.575 1.00 0.00 H \r\n< ATOM 792 1HA GLY A 50 5.172 24.453 10.056 1.00 0.00 H \r\n< ATOM 793 2HA GLY A 50 6.711 24.024 9.272 1.00 0.00 H \r\n< ATOM 794 N GLY A 51 7.241 22.482 11.705 1.00 0.00 N \r\n< ATOM 795 CA GLY A 51 7.357 21.245 12.432 1.00 0.00 C \r\n---\r\n> ATOM 761 N GLY A 48 5.462 29.323 16.642 1.00 0.00 N \r\n> ATOM 762 CA GLY A 48 5.930 27.986 16.233 1.00 0.00 C \r\n> ATOM 763 C GLY A 48 6.477 27.981 14.819 1.00 0.00 C \r\n> ATOM 764 O GLY A 48 6.628 28.996 14.120 1.00 0.00 O \r\n> ATOM 765 H GLY A 48 5.828 30.042 16.289 1.00 0.00 H \r\n> ATOM 766 1HA GLY A 48 6.718 27.662 16.913 1.00 0.00 H \r\n> ATOM 767 2HA GLY A 48 5.096 27.286 16.286 1.00 0.00 H \r\n> ATOM 768 N ILE A 49 6.811 26.774 14.390 1.00 0.00 N \r\n> ATOM 769 CA ILE A 49 7.346 26.514 13.041 1.00 0.00 C \r\n> ATOM 770 C ILE A 49 6.544 25.441 12.312 1.00 0.00 C \r\n> ATOM 771 O ILE A 49 5.645 24.809 12.883 1.00 0.00 O \r\n> ATOM 772 CB ILE A 49 8.822 26.082 13.107 1.00 0.00 C \r\n> ATOM 773 CG1 ILE A 49 8.960 24.768 13.880 1.00 0.00 C \r\n> ATOM 774 CG2 ILE A 49 9.667 27.172 13.748 1.00 0.00 C \r\n> ATOM 775 CD1 ILE A 49 10.318 24.119 13.744 1.00 0.00 C \r\n> ATOM 776 H ILE A 49 6.689 26.001 15.028 1.00 0.00 H \r\n> ATOM 777 HA ILE A 49 7.249 27.398 12.412 1.00 0.00 H \r\n> ATOM 778 HB ILE A 49 9.192 25.895 12.099 1.00 0.00 H \r\n> ATOM 779 1HG1 ILE A 49 8.772 24.948 14.938 1.00 0.00 H \r\n> ATOM 780 2HG1 ILE A 49 8.208 24.060 13.532 1.00 0.00 H \r\n> ATOM 781 1HG2 ILE A 49 10.707 26.850 13.787 1.00 0.00 H \r\n> ATOM 782 2HG2 ILE A 49 9.591 28.085 13.158 1.00 0.00 H \r\n> ATOM 783 3HG2 ILE A 49 9.307 27.363 14.759 1.00 0.00 H \r\n> ATOM 784 1HD1 ILE A 49 10.339 23.193 14.319 1.00 0.00 H \r\n> ATOM 785 2HD1 ILE A 49 10.512 23.898 12.693 1.00 0.00 H \r\n> ATOM 786 3HD1 ILE A 49 11.084 24.796 14.119 1.00 0.00 H \r\n> ATOM 787 N GLY A 50 6.882 25.181 11.019 1.00 0.00 N \r\n> ATOM 788 CA GLY A 50 6.193 24.155 10.243 1.00 0.00 C \r\n> ATOM 789 C GLY A 50 6.185 22.802 10.947 1.00 0.00 C \r\n> ATOM 790 O GLY A 50 5.219 22.060 10.790 1.00 0.00 O \r\n> ATOM 791 H GLY A 50 7.626 25.710 10.587 1.00 0.00 H \r\n> ATOM 792 1HA GLY A 50 5.160 24.465 10.079 1.00 0.00 H \r\n> ATOM 793 2HA GLY A 50 6.693 24.040 9.281 1.00 0.00 H \r\n> ATOM 794 N GLY A 51 7.236 22.485 11.706 1.00 0.00 N \r\n> ATOM 795 CA GLY A 51 7.353 21.247 12.429 1.00 0.00 C \r\n808,811c808,811\r\n< ATOM 797 O GLY A 51 5.803 20.142 13.833 1.00 0.00 O \r\n< ATOM 798 H GLY A 51 7.899 23.064 11.769 1.00 0.00 H \r\n< ATOM 799 1HA GLY A 51 7.087 20.418 11.774 1.00 0.00 H \r\n< ATOM 800 2HA GLY A 51 8.388 21.121 12.764 1.00 0.00 H \r\n---\r\n> ATOM 797 O GLY A 51 5.806 20.141 13.835 1.00 0.00 O \r\n> ATOM 798 H GLY A 51 7.895 23.067 11.769 1.00 0.00 H \r\n> ATOM 799 1HA GLY A 51 7.080 20.422 11.771 1.00 0.00 H \r\n> ATOM 800 2HA GLY A 51 8.385 21.121 12.758 1.00 0.00 H \r\n1358,1363c1358,1363\r\n< ATOM 1347 CG ARG A 86 13.853 31.576 10.270 1.00 0.00 C \r\n< ATOM 1348 CD ARG A 86 12.586 30.926 10.691 1.00 0.00 C \r\n< ATOM 1349 NE ARG A 86 12.779 29.523 11.019 1.00 0.00 N \r\n< ATOM 1350 CZ ARG A 86 13.374 29.074 12.141 1.00 0.00 C \r\n< ATOM 1351 NH1 ARG A 86 13.828 29.928 13.031 1.00 0.00 N \r\n< ATOM 1352 NH2 ARG A 86 13.501 27.774 12.347 1.00 0.00 N \r\n---\r\n> ATOM 1347 CG ARG A 86 13.859 31.589 10.294 1.00 0.00 C \r\n> ATOM 1348 CD ARG A 86 12.592 30.927 10.699 1.00 0.00 C \r\n> ATOM 1349 NE ARG A 86 12.792 29.524 11.024 1.00 0.00 N \r\n> ATOM 1350 CZ ARG A 86 13.390 29.077 12.146 1.00 0.00 C \r\n> ATOM 1351 NH1 ARG A 86 13.840 29.933 13.037 1.00 0.00 N \r\n> ATOM 1352 NH2 ARG A 86 13.525 27.779 12.350 1.00 0.00 N \r\n1366,1376c1366,1376\r\n< ATOM 1355 1HB ARG A 86 13.177 33.584 10.375 1.00 0.00 H \r\n< ATOM 1356 2HB ARG A 86 12.848 32.785 8.845 1.00 0.00 H \r\n< ATOM 1357 1HG ARG A 86 14.357 30.918 9.562 1.00 0.00 H \r\n< ATOM 1358 2HG ARG A 86 14.481 31.708 11.152 1.00 0.00 H \r\n< ATOM 1359 1HD ARG A 86 12.194 31.431 11.573 1.00 0.00 H \r\n< ATOM 1360 2HD ARG A 86 11.858 30.991 9.883 1.00 0.00 H \r\n< ATOM 1361 HE ARG A 86 12.442 28.835 10.358 1.00 0.00 H \r\n< ATOM 1362 1HH1 ARG A 86 13.731 30.921 12.873 1.00 0.00 H \r\n< ATOM 1363 2HH1 ARG A 86 14.274 29.591 13.872 1.00 0.00 H \r\n< ATOM 1364 1HH2 ARG A 86 13.152 27.117 11.662 1.00 0.00 H \r\n< ATOM 1365 2HH2 ARG A 86 13.947 27.438 13.187 1.00 0.00 H \r\n---\r\n> ATOM 1355 1HB ARG A 86 13.165 33.592 10.360 1.00 0.00 H \r\n> ATOM 1356 2HB ARG A 86 12.856 32.766 8.841 1.00 0.00 H \r\n> ATOM 1357 1HG ARG A 86 14.386 30.928 9.606 1.00 0.00 H \r\n> ATOM 1358 2HG ARG A 86 14.466 31.742 11.187 1.00 0.00 H \r\n> ATOM 1359 1HD ARG A 86 12.185 31.427 11.578 1.00 0.00 H \r\n> ATOM 1360 2HD ARG A 86 11.873 30.988 9.882 1.00 0.00 H \r\n> ATOM 1361 HE ARG A 86 12.459 28.836 10.363 1.00 0.00 H \r\n> ATOM 1362 1HH1 ARG A 86 13.737 30.926 12.881 1.00 0.00 H \r\n> ATOM 1363 2HH1 ARG A 86 14.288 29.598 13.877 1.00 0.00 H \r\n> ATOM 1364 1HH2 ARG A 86 13.179 27.121 11.665 1.00 0.00 H \r\n> ATOM 1365 2HH2 ARG A 86 13.973 27.444 13.190 1.00 0.00 H \r\n1382,1384c1382,1384\r\n< ATOM 1371 CG ASN A 87 12.959 33.982 4.174 1.00 0.00 C \r\n< ATOM 1372 OD1 ASN A 87 14.144 34.185 3.889 1.00 0.00 O \r\n< ATOM 1373 ND2 ASN A 87 12.260 33.012 3.642 1.00 0.00 N \r\n---\r\n> ATOM 1371 CG ASN A 87 12.959 33.986 4.171 1.00 0.00 C \r\n> ATOM 1372 OD1 ASN A 87 14.146 34.188 3.890 1.00 0.00 O \r\n> ATOM 1373 ND2 ASN A 87 12.259 33.020 3.632 1.00 0.00 N \r\n1387,1390c1387,1390\r\n< ATOM 1376 1HB ASN A 87 11.498 34.258 5.690 1.00 0.00 H \r\n< ATOM 1377 2HB ASN A 87 11.716 35.642 4.628 1.00 0.00 H \r\n< ATOM 1378 1HD2 ASN A 87 12.683 32.398 2.975 1.00 0.00 H \r\n< ATOM 1379 2HD2 ASN A 87 11.303 32.884 3.903 1.00 0.00 H \r\n---\r\n> ATOM 1376 1HB ASN A 87 11.500 34.255 5.690 1.00 0.00 H \r\n> ATOM 1377 2HB ASN A 87 11.713 35.642 4.630 1.00 0.00 H \r\n> ATOM 1378 1HD2 ASN A 87 12.683 32.409 2.963 1.00 0.00 H \r\n> ATOM 1379 2HD2 ASN A 87 11.302 32.893 3.890 1.00 0.00 H \r\n1653,1664c1653,1664\r\n< ATOM 1642 C TRP B 5 13.724 38.169 0.501 1.00 0.00 C \r\n< ATOM 1643 O TRP B 5 13.197 37.704 1.540 1.00 0.00 O \r\n< ATOM 1644 CB TRP B 5 15.890 37.242 1.255 1.00 0.00 C \r\n< ATOM 1645 CG TRP B 5 17.014 36.309 0.920 1.00 0.00 C \r\n< ATOM 1646 CD1 TRP B 5 18.338 36.622 0.845 1.00 0.00 C \r\n< ATOM 1647 CD2 TRP B 5 16.917 34.897 0.612 1.00 0.00 C \r\n< ATOM 1648 NE1 TRP B 5 19.069 35.509 0.513 1.00 0.00 N \r\n< ATOM 1649 CE2 TRP B 5 18.216 34.444 0.367 1.00 0.00 C \r\n< ATOM 1650 CE3 TRP B 5 15.849 33.996 0.526 1.00 0.00 C \r\n< ATOM 1651 CZ2 TRP B 5 18.483 33.124 0.039 1.00 0.00 C \r\n< ATOM 1652 CZ3 TRP B 5 16.116 32.672 0.198 1.00 0.00 C \r\n< ATOM 1653 CH2 TRP B 5 17.399 32.248 -0.038 1.00 0.00 C \r\n---\r\n> ATOM 1642 C TRP B 5 13.724 38.169 0.502 1.00 0.00 C \r\n> ATOM 1643 O TRP B 5 13.198 37.703 1.541 1.00 0.00 O \r\n> ATOM 1644 CB TRP B 5 15.890 37.241 1.254 1.00 0.00 C \r\n> ATOM 1645 CG TRP B 5 17.019 36.314 0.917 1.00 0.00 C \r\n> ATOM 1646 CD1 TRP B 5 18.341 36.634 0.839 1.00 0.00 C \r\n> ATOM 1647 CD2 TRP B 5 16.929 34.901 0.611 1.00 0.00 C \r\n> ATOM 1648 NE1 TRP B 5 19.077 35.524 0.505 1.00 0.00 N \r\n> ATOM 1649 CE2 TRP B 5 18.229 34.454 0.363 1.00 0.00 C \r\n> ATOM 1650 CE3 TRP B 5 15.865 33.994 0.530 1.00 0.00 C \r\n> ATOM 1651 CZ2 TRP B 5 18.502 33.136 0.036 1.00 0.00 C \r\n> ATOM 1652 CZ3 TRP B 5 16.139 32.671 0.203 1.00 0.00 C \r\n> ATOM 1653 CH2 TRP B 5 17.423 32.254 -0.037 1.00 0.00 C \r\n1666,1750c1666,1750\r\n< ATOM 1655 HA TRP B 5 14.892 36.825 -0.602 1.00 0.00 H \r\n< ATOM 1656 1HB TRP B 5 16.307 38.116 1.755 1.00 0.00 H \r\n< ATOM 1657 2HB TRP B 5 15.230 36.743 1.964 1.00 0.00 H \r\n< ATOM 1658 HD1 TRP B 5 18.755 37.611 1.024 1.00 0.00 H \r\n< ATOM 1659 HE1 TRP B 5 20.072 35.477 0.393 1.00 0.00 H \r\n< ATOM 1660 HE3 TRP B 5 14.828 34.327 0.716 1.00 0.00 H \r\n< ATOM 1661 HZ2 TRP B 5 19.495 32.768 -0.153 1.00 0.00 H \r\n< ATOM 1662 HZ3 TRP B 5 15.279 31.977 0.133 1.00 0.00 H \r\n< ATOM 1663 HH2 TRP B 5 17.574 31.202 -0.293 1.00 0.00 H \r\n< ATOM 1664 N GLN B 6 13.074 39.088 -0.217 1.00 0.00 N \r\n< ATOM 1665 CA GLN B 6 11.743 39.573 0.053 1.00 0.00 C \r\n< ATOM 1666 C GLN B 6 10.678 38.550 -0.344 1.00 0.00 C \r\n< ATOM 1667 O GLN B 6 9.551 38.594 0.168 1.00 0.00 O \r\n< ATOM 1668 CB GLN B 6 11.505 40.890 -0.690 1.00 0.00 C \r\n< ATOM 1669 CG GLN B 6 12.367 42.043 -0.205 1.00 0.00 C \r\n< ATOM 1670 CD GLN B 6 12.129 43.316 -0.995 1.00 0.00 C \r\n< ATOM 1671 OE1 GLN B 6 11.315 43.344 -1.923 1.00 0.00 O \r\n< ATOM 1672 NE2 GLN B 6 12.841 44.377 -0.635 1.00 0.00 N \r\n< ATOM 1673 H GLN B 6 13.581 39.456 -1.010 1.00 0.00 H \r\n< ATOM 1674 HA GLN B 6 11.626 39.738 1.125 1.00 0.00 H \r\n< ATOM 1675 1HB GLN B 6 11.704 40.698 -1.744 1.00 0.00 H \r\n< ATOM 1676 2HB GLN B 6 10.451 41.139 -0.560 1.00 0.00 H \r\n< ATOM 1677 1HG GLN B 6 12.452 42.315 0.847 1.00 0.00 H \r\n< ATOM 1678 2HG GLN B 6 13.304 41.599 -0.542 1.00 0.00 H \r\n< ATOM 1679 1HE2 GLN B 6 12.727 45.246 -1.120 1.00 0.00 H \r\n< ATOM 1680 2HE2 GLN B 6 13.492 44.311 0.121 1.00 0.00 H \r\n< ATOM 1681 N ARG B 7 11.046 37.672 -1.281 1.00 0.00 N \r\n< ATOM 1682 CA ARG B 7 10.195 36.616 -1.828 1.00 0.00 C \r\n< ATOM 1683 C ARG B 7 11.027 35.336 -1.897 1.00 0.00 C \r\n< ATOM 1684 O ARG B 7 12.276 35.368 -2.007 1.00 0.00 O \r\n< ATOM 1685 CB ARG B 7 9.672 36.979 -3.210 1.00 0.00 C \r\n< ATOM 1686 CG ARG B 7 8.770 38.202 -3.251 1.00 0.00 C \r\n< ATOM 1687 CD ARG B 7 7.469 37.948 -2.579 1.00 0.00 C \r\n< ATOM 1688 NE ARG B 7 6.566 39.082 -2.699 1.00 0.00 N \r\n< ATOM 1689 CZ ARG B 7 6.534 40.127 -1.849 1.00 0.00 C \r\n< ATOM 1690 NH1 ARG B 7 7.358 40.168 -0.826 1.00 0.00 N \r\n< ATOM 1691 NH2 ARG B 7 5.674 41.111 -2.045 1.00 0.00 N \r\n< ATOM 1692 H ARG B 7 11.992 37.767 -1.622 1.00 0.00 H \r\n< ATOM 1693 HA ARG B 7 9.353 36.438 -1.158 1.00 0.00 H \r\n< ATOM 1694 1HB ARG B 7 10.511 37.166 -3.878 1.00 0.00 H \r\n< ATOM 1695 2HB ARG B 7 9.109 36.140 -3.618 1.00 0.00 H \r\n< ATOM 1696 1HG ARG B 7 9.260 39.034 -2.745 1.00 0.00 H \r\n< ATOM 1697 2HG ARG B 7 8.572 38.474 -4.289 1.00 0.00 H \r\n< ATOM 1698 1HD ARG B 7 6.989 37.081 -3.032 1.00 0.00 H \r\n< ATOM 1699 2HD ARG B 7 7.638 37.757 -1.520 1.00 0.00 H \r\n< ATOM 1700 HE ARG B 7 5.917 39.086 -3.474 1.00 0.00 H \r\n< ATOM 1701 1HH1 ARG B 7 8.016 39.416 -0.676 1.00 0.00 H \r\n< ATOM 1702 2HH1 ARG B 7 7.334 40.951 -0.189 1.00 0.00 H \r\n< ATOM 1703 1HH2 ARG B 7 5.040 41.079 -2.832 1.00 0.00 H \r\n< ATOM 1704 2HH2 ARG B 7 5.649 41.894 -1.409 1.00 0.00 H \r\n< ATOM 1705 N PRO B 8 10.359 34.178 -1.828 1.00 0.00 N \r\n< ATOM 1706 CA PRO B 8 11.132 32.901 -1.919 1.00 0.00 C \r\n< ATOM 1707 C PRO B 8 11.972 32.854 -3.205 1.00 0.00 C \r\n< ATOM 1708 O PRO B 8 11.424 33.098 -4.303 1.00 0.00 O \r\n< ATOM 1709 CB PRO B 8 10.041 31.826 -1.924 1.00 0.00 C \r\n< ATOM 1710 CG PRO B 8 8.911 32.448 -1.179 1.00 0.00 C \r\n< ATOM 1711 CD PRO B 8 8.913 33.886 -1.627 1.00 0.00 C \r\n< ATOM 1712 HA PRO B 8 11.858 32.784 -1.100 1.00 0.00 H \r\n< ATOM 1713 1HB PRO B 8 9.777 31.563 -2.959 1.00 0.00 H \r\n< ATOM 1714 2HB PRO B 8 10.415 30.909 -1.445 1.00 0.00 H \r\n< ATOM 1715 1HG PRO B 8 7.969 31.932 -1.416 1.00 0.00 H \r\n< ATOM 1716 2HG PRO B 8 9.066 32.343 -0.095 1.00 0.00 H \r\n< ATOM 1717 1HD PRO B 8 8.345 33.979 -2.565 1.00 0.00 H \r\n< ATOM 1718 2HD PRO B 8 8.471 34.516 -0.842 1.00 0.00 H \r\n< ATOM 1719 N LEU B 9 13.312 32.548 -3.165 1.00 0.00 N \r\n< ATOM 1720 CA LEU B 9 14.209 32.526 -4.336 1.00 0.00 C \r\n< ATOM 1721 C LEU B 9 14.066 31.233 -5.169 1.00 0.00 C \r\n< ATOM 1722 O LEU B 9 14.921 30.345 -5.167 1.00 0.00 O \r\n< ATOM 1723 CB LEU B 9 15.665 32.679 -3.878 1.00 0.00 C \r\n< ATOM 1724 CG LEU B 9 16.211 34.112 -3.865 1.00 0.00 C \r\n< ATOM 1725 CD1 LEU B 9 15.368 34.970 -2.931 1.00 0.00 C \r\n< ATOM 1726 CD2 LEU B 9 17.668 34.097 -3.428 1.00 0.00 C \r\n< ATOM 1727 H LEU B 9 13.700 32.388 -2.246 1.00 0.00 H \r\n< ATOM 1728 HA LEU B 9 13.950 33.342 -5.008 1.00 0.00 H \r\n< ATOM 1729 1HB LEU B 9 15.754 32.282 -2.868 1.00 0.00 H \r\n< ATOM 1730 2HB LEU B 9 16.300 32.088 -4.536 1.00 0.00 H \r\n< ATOM 1731 HG LEU B 9 16.137 34.539 -4.866 1.00 0.00 H \r\n< ATOM 1732 1HD1 LEU B 9 15.757 35.988 -2.922 1.00 0.00 H \r\n< ATOM 1733 2HD1 LEU B 9 14.335 34.979 -3.278 1.00 0.00 H \r\n< ATOM 1734 3HD1 LEU B 9 15.410 34.557 -1.923 1.00 0.00 H \r\n< ATOM 1735 1HD2 LEU B 9 18.057 35.116 -3.420 1.00 0.00 H \r\n< ATOM 1736 2HD2 LEU B 9 17.743 33.672 -2.427 1.00 0.00 H \r\n< ATOM 1737 3HD2 LEU B 9 18.250 33.492 -4.124 1.00 0.00 H \r\n< ATOM 1738 N VAL B 10 12.965 31.171 -5.862 1.00 0.00 N \r\n< ATOM 1739 CA VAL B 10 12.613 30.064 -6.774 1.00 0.00 C \r\n---\r\n> ATOM 1655 HA TRP B 5 14.891 36.826 -0.602 1.00 0.00 H \r\n> ATOM 1656 1HB TRP B 5 16.304 38.115 1.757 1.00 0.00 H \r\n> ATOM 1657 2HB TRP B 5 15.232 36.737 1.961 1.00 0.00 H \r\n> ATOM 1658 HD1 TRP B 5 18.753 37.626 1.015 1.00 0.00 H \r\n> ATOM 1659 HE1 TRP B 5 20.079 35.498 0.383 1.00 0.00 H \r\n> ATOM 1660 HE3 TRP B 5 14.843 34.320 0.722 1.00 0.00 H \r\n> ATOM 1661 HZ2 TRP B 5 19.516 32.785 -0.158 1.00 0.00 H \r\n> ATOM 1662 HZ3 TRP B 5 15.305 31.972 0.140 1.00 0.00 H \r\n> ATOM 1663 HH2 TRP B 5 17.603 31.209 -0.291 1.00 0.00 H \r\n> ATOM 1664 N GLN B 6 13.076 39.090 -0.214 1.00 0.00 N \r\n> ATOM 1665 CA GLN B 6 11.745 39.575 0.056 1.00 0.00 C \r\n> ATOM 1666 C GLN B 6 10.679 38.553 -0.343 1.00 0.00 C \r\n> ATOM 1667 O GLN B 6 9.552 38.597 0.168 1.00 0.00 O \r\n> ATOM 1668 CB GLN B 6 11.507 40.894 -0.684 1.00 0.00 C \r\n> ATOM 1669 CG GLN B 6 12.369 42.046 -0.196 1.00 0.00 C \r\n> ATOM 1670 CD GLN B 6 12.132 43.320 -0.984 1.00 0.00 C \r\n> ATOM 1671 OE1 GLN B 6 11.318 43.351 -1.912 1.00 0.00 O \r\n> ATOM 1672 NE2 GLN B 6 12.845 44.381 -0.622 1.00 0.00 N \r\n> ATOM 1673 H GLN B 6 13.583 39.460 -1.006 1.00 0.00 H \r\n> ATOM 1674 HA GLN B 6 11.627 39.738 1.128 1.00 0.00 H \r\n> ATOM 1675 1HB GLN B 6 11.706 40.704 -1.739 1.00 0.00 H \r\n> ATOM 1676 2HB GLN B 6 10.453 41.143 -0.554 1.00 0.00 H \r\n> ATOM 1677 1HG GLN B 6 12.454 42.315 0.856 1.00 0.00 H \r\n> ATOM 1678 2HG GLN B 6 13.306 41.601 -0.534 1.00 0.00 H \r\n> ATOM 1679 1HE2 GLN B 6 12.731 45.250 -1.105 1.00 0.00 H \r\n> ATOM 1680 2HE2 GLN B 6 13.495 44.312 0.135 1.00 0.00 H \r\n> ATOM 1681 N ARG B 7 11.047 37.677 -1.282 1.00 0.00 N \r\n> ATOM 1682 CA ARG B 7 10.196 36.623 -1.831 1.00 0.00 C \r\n> ATOM 1683 C ARG B 7 11.025 35.341 -1.895 1.00 0.00 C \r\n> ATOM 1684 O ARG B 7 12.276 35.369 -1.976 1.00 0.00 O \r\n> ATOM 1685 CB ARG B 7 9.681 36.985 -3.216 1.00 0.00 C \r\n> ATOM 1686 CG ARG B 7 8.785 38.213 -3.265 1.00 0.00 C \r\n> ATOM 1687 CD ARG B 7 7.481 37.968 -2.596 1.00 0.00 C \r\n> ATOM 1688 NE ARG B 7 6.585 39.106 -2.722 1.00 0.00 N \r\n> ATOM 1689 CZ ARG B 7 6.552 40.152 -1.873 1.00 0.00 C \r\n> ATOM 1690 NH1 ARG B 7 7.368 40.188 -0.844 1.00 0.00 N \r\n> ATOM 1691 NH2 ARG B 7 5.698 41.140 -2.075 1.00 0.00 N \r\n> ATOM 1692 H ARG B 7 11.993 37.773 -1.623 1.00 0.00 H \r\n> ATOM 1693 HA ARG B 7 9.350 36.448 -1.166 1.00 0.00 H \r\n> ATOM 1694 1HB ARG B 7 10.523 37.166 -3.882 1.00 0.00 H \r\n> ATOM 1695 2HB ARG B 7 9.115 36.148 -3.625 1.00 0.00 H \r\n> ATOM 1696 1HG ARG B 7 9.279 39.044 -2.759 1.00 0.00 H \r\n> ATOM 1697 2HG ARG B 7 8.593 38.483 -4.304 1.00 0.00 H \r\n> ATOM 1698 1HD ARG B 7 6.998 37.102 -3.048 1.00 0.00 H \r\n> ATOM 1699 2HD ARG B 7 7.646 37.780 -1.536 1.00 0.00 H \r\n> ATOM 1700 HE ARG B 7 5.942 39.114 -3.503 1.00 0.00 H \r\n> ATOM 1701 1HH1 ARG B 7 8.021 39.433 -0.689 1.00 0.00 H \r\n> ATOM 1702 2HH1 ARG B 7 7.343 40.972 -0.207 1.00 0.00 H \r\n> ATOM 1703 1HH2 ARG B 7 5.070 41.112 -2.866 1.00 0.00 H \r\n> ATOM 1704 2HH2 ARG B 7 5.673 41.923 -1.439 1.00 0.00 H \r\n> ATOM 1705 N PRO B 8 10.352 34.185 -1.852 1.00 0.00 N \r\n> ATOM 1706 CA PRO B 8 11.121 32.906 -1.947 1.00 0.00 C \r\n> ATOM 1707 C PRO B 8 11.985 32.874 -3.219 1.00 0.00 C \r\n> ATOM 1708 O PRO B 8 11.455 33.124 -4.324 1.00 0.00 O \r\n> ATOM 1709 CB PRO B 8 10.026 31.835 -1.989 1.00 0.00 C \r\n> ATOM 1710 CG PRO B 8 8.883 32.453 -1.260 1.00 0.00 C \r\n> ATOM 1711 CD PRO B 8 8.901 33.896 -1.688 1.00 0.00 C \r\n> ATOM 1712 HA PRO B 8 11.831 32.773 -1.118 1.00 0.00 H \r\n> ATOM 1713 1HB PRO B 8 9.783 31.587 -3.033 1.00 0.00 H \r\n> ATOM 1714 2HB PRO B 8 10.386 30.910 -1.514 1.00 0.00 H \r\n> ATOM 1715 1HG PRO B 8 7.944 31.944 -1.524 1.00 0.00 H \r\n> ATOM 1716 2HG PRO B 8 9.015 32.332 -0.174 1.00 0.00 H \r\n> ATOM 1717 1HD PRO B 8 8.356 34.004 -2.638 1.00 0.00 H \r\n> ATOM 1718 2HD PRO B 8 8.443 34.518 -0.905 1.00 0.00 H \r\n> ATOM 1719 N LEU B 9 13.325 32.543 -3.155 1.00 0.00 N \r\n> ATOM 1720 CA LEU B 9 14.214 32.522 -4.332 1.00 0.00 C \r\n> ATOM 1721 C LEU B 9 14.068 31.229 -5.164 1.00 0.00 C \r\n> ATOM 1722 O LEU B 9 14.918 30.336 -5.157 1.00 0.00 O \r\n> ATOM 1723 CB LEU B 9 15.673 32.677 -3.883 1.00 0.00 C \r\n> ATOM 1724 CG LEU B 9 16.215 34.112 -3.867 1.00 0.00 C \r\n> ATOM 1725 CD1 LEU B 9 15.368 34.965 -2.934 1.00 0.00 C \r\n> ATOM 1726 CD2 LEU B 9 17.671 34.099 -3.427 1.00 0.00 C \r\n> ATOM 1727 H LEU B 9 13.718 32.382 -2.239 1.00 0.00 H \r\n> ATOM 1728 HA LEU B 9 13.950 33.338 -5.003 1.00 0.00 H \r\n> ATOM 1729 1HB LEU B 9 15.770 32.275 -2.876 1.00 0.00 H \r\n> ATOM 1730 2HB LEU B 9 16.306 32.090 -4.549 1.00 0.00 H \r\n> ATOM 1731 HG LEU B 9 16.143 34.539 -4.868 1.00 0.00 H \r\n> ATOM 1732 1HD1 LEU B 9 15.754 35.985 -2.923 1.00 0.00 H \r\n> ATOM 1733 2HD1 LEU B 9 14.336 34.972 -3.283 1.00 0.00 H \r\n> ATOM 1734 3HD1 LEU B 9 15.408 34.552 -1.927 1.00 0.00 H \r\n> ATOM 1735 1HD2 LEU B 9 18.057 35.119 -3.417 1.00 0.00 H \r\n> ATOM 1736 2HD2 LEU B 9 17.745 33.673 -2.426 1.00 0.00 H \r\n> ATOM 1737 3HD2 LEU B 9 18.257 33.497 -4.122 1.00 0.00 H \r\n> ATOM 1738 N VAL B 10 12.970 31.172 -5.862 1.00 0.00 N \r\n> ATOM 1739 CA VAL B 10 12.615 30.065 -6.773 1.00 0.00 C \r\n1752,1764c1752,1764\r\n< ATOM 1741 O VAL B 10 12.825 31.266 -8.810 1.00 0.00 O \r\n< ATOM 1742 CB VAL B 10 11.084 29.901 -6.862 1.00 0.00 C \r\n< ATOM 1743 CG1 VAL B 10 10.722 28.800 -7.847 1.00 0.00 C \r\n< ATOM 1744 CG2 VAL B 10 10.515 29.601 -5.484 1.00 0.00 C \r\n< ATOM 1745 H VAL B 10 12.322 31.943 -5.753 1.00 0.00 H \r\n< ATOM 1746 HA VAL B 10 13.063 29.125 -6.450 1.00 0.00 H \r\n< ATOM 1747 HB VAL B 10 10.651 30.827 -7.241 1.00 0.00 H \r\n< ATOM 1748 1HG1 VAL B 10 9.638 28.699 -7.897 1.00 0.00 H \r\n< ATOM 1749 2HG1 VAL B 10 11.108 29.053 -8.834 1.00 0.00 H \r\n< ATOM 1750 3HG1 VAL B 10 11.159 27.858 -7.516 1.00 0.00 H \r\n< ATOM 1751 1HG2 VAL B 10 9.434 29.487 -5.554 1.00 0.00 H \r\n< ATOM 1752 2HG2 VAL B 10 10.953 28.678 -5.103 1.00 0.00 H \r\n< ATOM 1753 3HG2 VAL B 10 10.751 30.421 -4.806 1.00 0.00 H \r\n---\r\n> ATOM 1741 O VAL B 10 12.823 31.265 -8.810 1.00 0.00 O \r\n> ATOM 1742 CB VAL B 10 11.086 29.904 -6.859 1.00 0.00 C \r\n> ATOM 1743 CG1 VAL B 10 10.721 28.805 -7.845 1.00 0.00 C \r\n> ATOM 1744 CG2 VAL B 10 10.519 29.602 -5.480 1.00 0.00 C \r\n> ATOM 1745 H VAL B 10 12.332 31.948 -5.758 1.00 0.00 H \r\n> ATOM 1746 HA VAL B 10 13.064 29.126 -6.449 1.00 0.00 H \r\n> ATOM 1747 HB VAL B 10 10.653 30.831 -7.235 1.00 0.00 H \r\n> ATOM 1748 1HG1 VAL B 10 9.636 28.705 -7.894 1.00 0.00 H \r\n> ATOM 1749 2HG1 VAL B 10 11.105 29.060 -8.833 1.00 0.00 H \r\n> ATOM 1750 3HG1 VAL B 10 11.157 27.862 -7.517 1.00 0.00 H \r\n> ATOM 1751 1HG2 VAL B 10 9.437 29.490 -5.548 1.00 0.00 H \r\n> ATOM 1752 2HG2 VAL B 10 10.957 28.678 -5.101 1.00 0.00 H \r\n> ATOM 1753 3HG2 VAL B 10 10.757 30.421 -4.801 1.00 0.00 H \r\n1770c1770\r\n< ATOM 1759 OG1 THR B 11 16.604 28.141 -9.289 1.00 0.00 O \r\n---\r\n> ATOM 1759 OG1 THR B 11 16.604 28.141 -9.290 1.00 0.00 O \r\n1811c1811\r\n< ATOM 1800 1HG LYS B 13 14.702 22.701 -12.078 1.00 0.00 H \r\n---\r\n> ATOM 1800 1HG LYS B 13 14.702 22.701 -12.079 1.00 0.00 H \r\n1813c1813\r\n< ATOM 1802 1HD LYS B 13 16.814 20.538 -11.737 1.00 0.00 H \r\n---\r\n> ATOM 1802 1HD LYS B 13 16.815 20.538 -11.737 1.00 0.00 H \r\n1816,1818c1816,1818\r\n< ATOM 1805 2HE LYS B 13 14.041 20.914 -10.546 1.00 0.00 H \r\n< ATOM 1806 1HZ LYS B 13 13.656 18.779 -11.536 1.00 0.00 H \r\n< ATOM 1807 2HZ LYS B 13 14.076 19.865 -12.704 1.00 0.00 H \r\n---\r\n> ATOM 1805 2HE LYS B 13 14.041 20.914 -10.547 1.00 0.00 H \r\n> ATOM 1806 1HZ LYS B 13 13.656 18.778 -11.537 1.00 0.00 H \r\n> ATOM 1807 2HZ LYS B 13 14.076 19.865 -12.705 1.00 0.00 H \r\n1928,1930c1928,1930\r\n< ATOM 1917 C ALA B 21 11.369 24.725 -9.457 1.00 0.00 C \r\n< ATOM 1918 O ALA B 21 10.853 23.682 -9.084 1.00 0.00 O \r\n< ATOM 1919 CB ALA B 21 9.722 26.196 -10.628 1.00 0.00 C \r\n---\r\n> ATOM 1917 C ALA B 21 11.374 24.725 -9.458 1.00 0.00 C \r\n> ATOM 1918 O ALA B 21 10.861 23.680 -9.085 1.00 0.00 O \r\n> ATOM 1919 CB ALA B 21 9.720 26.193 -10.625 1.00 0.00 C \r\n1932,2136c1932,2136\r\n< ATOM 1921 HA ALA B 21 11.771 25.918 -11.169 1.00 0.00 H \r\n< ATOM 1922 1HB ALA B 21 9.936 26.984 -9.906 1.00 0.00 H \r\n< ATOM 1923 2HB ALA B 21 9.465 26.643 -11.588 1.00 0.00 H \r\n< ATOM 1924 3HB ALA B 21 8.885 25.597 -10.272 1.00 0.00 H \r\n< ATOM 1925 N LEU B 22 12.289 25.340 -8.715 1.00 0.00 N \r\n< ATOM 1926 CA LEU B 22 12.686 24.884 -7.382 1.00 0.00 C \r\n< ATOM 1927 C LEU B 22 13.267 26.023 -6.576 1.00 0.00 C \r\n< ATOM 1928 O LEU B 22 13.890 26.962 -7.113 1.00 0.00 O \r\n< ATOM 1929 CB LEU B 22 13.713 23.749 -7.484 1.00 0.00 C \r\n< ATOM 1930 CG LEU B 22 15.096 24.150 -8.014 1.00 0.00 C \r\n< ATOM 1931 CD1 LEU B 22 16.093 23.037 -7.723 1.00 0.00 C \r\n< ATOM 1932 CD2 LEU B 22 15.006 24.428 -9.507 1.00 0.00 C \r\n< ATOM 1933 H LEU B 22 12.727 26.164 -9.103 1.00 0.00 H \r\n< ATOM 1934 HA LEU B 22 11.808 24.532 -6.839 1.00 0.00 H \r\n< ATOM 1935 1HB LEU B 22 13.850 23.315 -6.495 1.00 0.00 H \r\n< ATOM 1936 2HB LEU B 22 13.315 22.979 -8.145 1.00 0.00 H \r\n< ATOM 1937 HG LEU B 22 15.437 25.048 -7.498 1.00 0.00 H \r\n< ATOM 1938 1HD1 LEU B 22 17.076 23.322 -8.099 1.00 0.00 H \r\n< ATOM 1939 2HD1 LEU B 22 16.152 22.873 -6.647 1.00 0.00 H \r\n< ATOM 1940 3HD1 LEU B 22 15.769 22.120 -8.214 1.00 0.00 H \r\n< ATOM 1941 1HD2 LEU B 22 15.989 24.713 -9.884 1.00 0.00 H \r\n< ATOM 1942 2HD2 LEU B 22 14.666 23.530 -10.025 1.00 0.00 H \r\n< ATOM 1943 3HD2 LEU B 22 14.300 25.239 -9.685 1.00 0.00 H \r\n< ATOM 1944 N LEU B 23 13.070 25.970 -5.270 1.00 0.00 N \r\n< ATOM 1945 CA LEU B 23 13.463 26.914 -4.248 1.00 0.00 C \r\n< ATOM 1946 C LEU B 23 14.890 26.689 -3.762 1.00 0.00 C \r\n< ATOM 1947 O LEU B 23 15.189 25.601 -3.245 1.00 0.00 O \r\n< ATOM 1948 CB LEU B 23 12.495 26.821 -3.061 1.00 0.00 C \r\n< ATOM 1949 CG LEU B 23 12.783 27.772 -1.892 1.00 0.00 C \r\n< ATOM 1950 CD1 LEU B 23 12.750 29.211 -2.388 1.00 0.00 C \r\n< ATOM 1951 CD2 LEU B 23 11.757 27.549 -0.792 1.00 0.00 C \r\n< ATOM 1952 H LEU B 23 12.640 25.260 -4.983 1.00 0.00 H \r\n< ATOM 1953 HA LEU B 23 13.414 27.832 -4.643 1.00 0.00 H \r\n< ATOM 1954 1HB LEU B 23 11.488 27.030 -3.418 1.00 0.00 H \r\n< ATOM 1955 2HB LEU B 23 12.517 25.803 -2.674 1.00 0.00 H \r\n< ATOM 1956 HG LEU B 23 13.782 27.577 -1.502 1.00 0.00 H \r\n< ATOM 1957 1HD1 LEU B 23 12.955 29.887 -1.557 1.00 0.00 H \r\n< ATOM 1958 2HD1 LEU B 23 13.507 29.348 -3.160 1.00 0.00 H \r\n< ATOM 1959 3HD1 LEU B 23 11.766 29.432 -2.800 1.00 0.00 H \r\n< ATOM 1960 1HD2 LEU B 23 11.962 28.224 0.040 1.00 0.00 H \r\n< ATOM 1961 2HD2 LEU B 23 10.757 27.745 -1.181 1.00 0.00 H \r\n< ATOM 1962 3HD2 LEU B 23 11.814 26.517 -0.444 1.00 0.00 H \r\n< ATOM 1963 N ASP B 24 15.770 27.677 -3.931 1.00 0.00 N \r\n< ATOM 1964 CA ASP B 24 17.200 27.468 -3.581 1.00 0.00 C \r\n< ATOM 1965 C ASP B 24 17.405 27.881 -2.127 1.00 0.00 C \r\n< ATOM 1966 O ASP B 24 16.864 28.910 -1.707 1.00 0.00 O \r\n< ATOM 1967 CB ASP B 24 18.128 28.276 -4.492 1.00 0.00 C \r\n< ATOM 1968 CG ASP B 24 18.115 27.789 -5.934 1.00 0.00 C \r\n< ATOM 1969 OD1 ASP B 24 18.345 26.622 -6.149 1.00 0.00 O \r\n< ATOM 1970 OD2 ASP B 24 17.874 28.588 -6.807 1.00 0.00 O \r\n< ATOM 1971 H ASP B 24 15.478 28.573 -4.296 1.00 0.00 H \r\n< ATOM 1972 HA ASP B 24 17.450 26.410 -3.667 1.00 0.00 H \r\n< ATOM 1973 1HB ASP B 24 17.832 29.325 -4.475 1.00 0.00 H \r\n< ATOM 1974 2HB ASP B 24 19.149 28.218 -4.113 1.00 0.00 H \r\n< ATOM 1975 N THR B 25 18.154 27.090 -1.348 1.00 0.00 N \r\n< ATOM 1976 CA THR B 25 18.597 27.485 -0.005 1.00 0.00 C \r\n< ATOM 1977 C THR B 25 20.013 27.064 0.310 1.00 0.00 C \r\n< ATOM 1978 O THR B 25 20.538 26.065 -0.220 1.00 0.00 O \r\n< ATOM 1979 CB THR B 25 17.661 26.908 1.073 1.00 0.00 C \r\n< ATOM 1980 OG1 THR B 25 18.053 27.396 2.362 1.00 0.00 O \r\n< ATOM 1981 CG2 THR B 25 17.718 25.388 1.071 1.00 0.00 C \r\n< ATOM 1982 H THR B 25 18.420 26.186 -1.709 1.00 0.00 H \r\n< ATOM 1983 HA THR B 25 18.596 28.572 0.081 1.00 0.00 H \r\n< ATOM 1984 HB THR B 25 16.638 27.228 0.875 1.00 0.00 H \r\n< ATOM 1985 HG1 THR B 25 17.665 26.843 3.045 1.00 0.00 H \r\n< ATOM 1986 1HG2 THR B 25 17.049 24.998 1.838 1.00 0.00 H \r\n< ATOM 1987 2HG2 THR B 25 17.409 25.014 0.095 1.00 0.00 H \r\n< ATOM 1988 3HG2 THR B 25 18.736 25.062 1.278 1.00 0.00 H \r\n< ATOM 1989 N GLY B 26 20.679 27.808 1.228 1.00 0.00 N \r\n< ATOM 1990 CA GLY B 26 22.046 27.467 1.652 1.00 0.00 C \r\n< ATOM 1991 C GLY B 26 22.126 26.854 3.030 1.00 0.00 C \r\n< ATOM 1992 O GLY B 26 23.217 26.454 3.456 1.00 0.00 O \r\n< ATOM 1993 H GLY B 26 20.227 28.617 1.631 1.00 0.00 H \r\n< ATOM 1994 1HA GLY B 26 22.469 26.750 0.949 1.00 0.00 H \r\n< ATOM 1995 2HA GLY B 26 22.654 28.370 1.658 1.00 0.00 H \r\n< ATOM 1996 N ALA B 27 20.987 26.737 3.732 1.00 0.00 N \r\n< ATOM 1997 CA ALA B 27 20.947 26.179 5.102 1.00 0.00 C \r\n< ATOM 1998 C ALA B 27 21.045 24.672 5.169 1.00 0.00 C \r\n< ATOM 1999 O ALA B 27 21.634 24.159 6.138 1.00 0.00 O \r\n< ATOM 2000 CB ALA B 27 19.673 26.622 5.806 1.00 0.00 C \r\n< ATOM 2001 H ALA B 27 20.127 27.046 3.301 1.00 0.00 H \r\n< ATOM 2002 HA ALA B 27 21.805 26.555 5.659 1.00 0.00 H \r\n< ATOM 2003 1HB ALA B 27 19.657 26.218 6.818 1.00 0.00 H \r\n< ATOM 2004 2HB ALA B 27 19.642 27.711 5.850 1.00 0.00 H \r\n< ATOM 2005 3HB ALA B 27 18.808 26.257 5.256 1.00 0.00 H \r\n< ATOM 2006 N ASP B 28 20.509 23.952 4.176 1.00 0.00 N \r\n< ATOM 2007 CA ASP B 28 20.454 22.484 4.218 1.00 0.00 C \r\n< ATOM 2008 C ASP B 28 21.356 21.881 3.161 1.00 0.00 C \r\n< ATOM 2009 O ASP B 28 21.715 22.579 2.180 1.00 0.00 O \r\n< ATOM 2010 CB ASP B 28 19.022 21.985 4.012 1.00 0.00 C \r\n< ATOM 2011 CG ASP B 28 18.086 22.385 5.145 1.00 0.00 C \r\n< ATOM 2012 OD1 ASP B 28 18.484 22.285 6.281 1.00 0.00 O \r\n< ATOM 2013 OD2 ASP B 28 16.983 22.787 4.863 1.00 0.00 O \r\n< ATOM 2014 H ASP B 28 20.131 24.435 3.373 1.00 0.00 H \r\n< ATOM 2015 HA ASP B 28 20.819 22.128 5.182 1.00 0.00 H \r\n< ATOM 2016 1HB ASP B 28 18.628 22.384 3.077 1.00 0.00 H \r\n< ATOM 2017 2HB ASP B 28 19.024 20.897 3.929 1.00 0.00 H \r\n< ATOM 2018 N ASP B 29 21.719 20.612 3.251 1.00 0.00 N \r\n< ATOM 2019 CA ASP B 29 22.686 20.036 2.326 1.00 0.00 C \r\n< ATOM 2020 C ASP B 29 21.993 19.141 1.311 1.00 0.00 C \r\n< ATOM 2021 O ASP B 29 22.141 19.357 0.080 1.00 0.00 O \r\n< ATOM 2022 CB ASP B 29 23.754 19.244 3.085 1.00 0.00 C \r\n< ATOM 2023 CG ASP B 29 24.608 20.082 4.025 1.00 0.00 C \r\n< ATOM 2024 OD1 ASP B 29 25.156 21.065 3.583 1.00 0.00 O \r\n< ATOM 2025 OD2 ASP B 29 24.583 19.827 5.206 1.00 0.00 O \r\n< ATOM 2026 H ASP B 29 21.370 20.106 3.883 1.00 0.00 H \r\n< ATOM 2027 HA ASP B 29 23.161 20.773 1.846 1.00 0.00 H \r\n< ATOM 2028 1HB ASP B 29 23.356 18.384 3.625 1.00 0.00 H \r\n< ATOM 2029 2HB ASP B 29 24.365 18.898 2.250 1.00 0.00 H \r\n< ATOM 2030 N THR B 30 21.270 18.121 1.791 1.00 0.00 N \r\n< ATOM 2031 CA THR B 30 20.772 16.990 0.975 1.00 0.00 C \r\n< ATOM 2032 C THR B 30 19.584 17.493 0.123 1.00 0.00 C \r\n< ATOM 2033 O THR B 30 18.545 17.856 0.675 1.00 0.00 O \r\n< ATOM 2034 CB THR B 30 20.339 15.798 1.848 1.00 0.00 C \r\n< ATOM 2035 OG1 THR B 30 21.451 15.349 2.634 1.00 0.00 O \r\n< ATOM 2036 CG2 THR B 30 19.842 14.653 0.979 1.00 0.00 C \r\n< ATOM 2037 H THR B 30 21.060 18.143 2.779 1.00 0.00 H \r\n< ATOM 2038 HA THR B 30 21.555 16.655 0.293 1.00 0.00 H \r\n< ATOM 2039 HB THR B 30 19.540 16.110 2.520 1.00 0.00 H \r\n< ATOM 2040 HG1 THR B 30 21.290 14.451 2.932 1.00 0.00 H \r\n< ATOM 2041 1HG2 THR B 30 19.540 13.820 1.613 1.00 0.00 H \r\n< ATOM 2042 2HG2 THR B 30 18.989 14.988 0.389 1.00 0.00 H \r\n< ATOM 2043 3HG2 THR B 30 20.640 14.330 0.312 1.00 0.00 H \r\n< ATOM 2044 N VAL B 31 19.742 17.510 -1.190 1.00 0.00 N \r\n< ATOM 2045 CA VAL B 31 18.799 18.094 -2.169 1.00 0.00 C \r\n< ATOM 2046 C VAL B 31 17.572 17.197 -2.252 1.00 0.00 C \r\n< ATOM 2047 O VAL B 31 17.718 15.958 -2.429 1.00 0.00 O \r\n< ATOM 2048 CB VAL B 31 19.445 18.223 -3.561 1.00 0.00 C \r\n< ATOM 2049 CG1 VAL B 31 18.430 18.735 -4.573 1.00 0.00 C \r\n< ATOM 2050 CG2 VAL B 31 20.650 19.148 -3.490 1.00 0.00 C \r\n< ATOM 2051 H VAL B 31 20.592 17.079 -1.523 1.00 0.00 H \r\n< ATOM 2052 HA VAL B 31 18.441 19.070 -1.840 1.00 0.00 H \r\n< ATOM 2053 HB VAL B 31 19.763 17.235 -3.897 1.00 0.00 H \r\n< ATOM 2054 1HG1 VAL B 31 18.903 18.819 -5.552 1.00 0.00 H \r\n< ATOM 2055 2HG1 VAL B 31 17.594 18.039 -4.634 1.00 0.00 H \r\n< ATOM 2056 3HG1 VAL B 31 18.068 19.714 -4.261 1.00 0.00 H \r\n< ATOM 2057 1HG2 VAL B 31 21.102 19.233 -4.478 1.00 0.00 H \r\n< ATOM 2058 2HG2 VAL B 31 20.333 20.133 -3.149 1.00 0.00 H \r\n< ATOM 2059 3HG2 VAL B 31 21.381 18.740 -2.792 1.00 0.00 H \r\n< ATOM 2060 N LEU B 32 16.353 17.772 -2.135 1.00 0.00 N \r\n< ATOM 2061 CA LEU B 32 15.134 16.949 -2.085 1.00 0.00 C \r\n< ATOM 2062 C LEU B 32 14.137 17.417 -3.131 1.00 0.00 C \r\n< ATOM 2063 O LEU B 32 13.893 18.635 -3.233 1.00 0.00 O \r\n< ATOM 2064 CB LEU B 32 14.490 17.015 -0.694 1.00 0.00 C \r\n< ATOM 2065 CG LEU B 32 15.403 16.635 0.479 1.00 0.00 C \r\n< ATOM 2066 CD1 LEU B 32 14.656 16.839 1.791 1.00 0.00 C \r\n< ATOM 2067 CD2 LEU B 32 15.853 15.190 0.326 1.00 0.00 C \r\n< ATOM 2068 H LEU B 32 16.272 18.778 -2.079 1.00 0.00 H \r\n< ATOM 2069 HA LEU B 32 15.381 15.915 -2.325 1.00 0.00 H \r\n< ATOM 2070 1HB LEU B 32 14.136 18.030 -0.523 1.00 0.00 H \r\n< ATOM 2071 2HB LEU B 32 13.631 16.344 -0.676 1.00 0.00 H \r\n< ATOM 2072 HG LEU B 32 16.276 17.288 0.488 1.00 0.00 H \r\n< ATOM 2073 1HD1 LEU B 32 15.304 16.570 2.624 1.00 0.00 H \r\n< ATOM 2074 2HD1 LEU B 32 14.363 17.885 1.883 1.00 0.00 H \r\n< ATOM 2075 3HD1 LEU B 32 13.767 16.210 1.805 1.00 0.00 H \r\n< ATOM 2076 1HD2 LEU B 32 16.502 14.920 1.159 1.00 0.00 H \r\n< ATOM 2077 2HD2 LEU B 32 14.980 14.536 0.319 1.00 0.00 H \r\n< ATOM 2078 3HD2 LEU B 32 16.399 15.076 -0.611 1.00 0.00 H \r\n< ATOM 2079 N GLU B 33 13.600 16.485 -3.922 1.00 0.00 N \r\n< ATOM 2080 CA GLU B 33 12.631 16.716 -4.942 1.00 0.00 C \r\n< ATOM 2081 C GLU B 33 11.241 16.285 -4.496 1.00 0.00 C \r\n< ATOM 2082 O GLU B 33 11.107 15.369 -3.674 1.00 0.00 O \r\n< ATOM 2083 CB GLU B 33 13.033 15.974 -6.218 1.00 0.00 C \r\n< ATOM 2084 CG GLU B 33 14.299 16.500 -6.879 1.00 0.00 C \r\n< ATOM 2085 CD GLU B 33 14.586 15.843 -8.200 1.00 0.00 C \r\n< ATOM 2086 OE1 GLU B 33 14.146 14.736 -8.399 1.00 0.00 O \r\n< ATOM 2087 OE2 GLU B 33 15.246 16.448 -9.011 1.00 0.00 O \r\n< ATOM 2088 H GLU B 33 13.927 15.544 -3.761 1.00 0.00 H \r\n< ATOM 2089 HA GLU B 33 12.568 17.783 -5.157 1.00 0.00 H \r\n< ATOM 2090 1HB GLU B 33 13.187 14.919 -5.992 1.00 0.00 H \r\n< ATOM 2091 2HB GLU B 33 12.224 16.038 -6.946 1.00 0.00 H \r\n< ATOM 2092 1HG GLU B 33 14.195 17.574 -7.035 1.00 0.00 H \r\n< ATOM 2093 2HG GLU B 33 15.141 16.338 -6.207 1.00 0.00 H \r\n< ATOM 2094 N GLU B 34 10.220 16.906 -5.072 1.00 0.00 N \r\n< ATOM 2095 CA GLU B 34 8.813 16.543 -4.900 1.00 0.00 C \r\n< ATOM 2096 C GLU B 34 8.533 15.241 -5.665 1.00 0.00 C \r\n< ATOM 2097 O GLU B 34 8.814 15.116 -6.867 1.00 0.00 O \r\n< ATOM 2098 CB GLU B 34 7.896 17.663 -5.396 1.00 0.00 C \r\n< ATOM 2099 CG GLU B 34 6.410 17.371 -5.247 1.00 0.00 C \r\n< ATOM 2100 CD GLU B 34 5.541 18.400 -5.916 1.00 0.00 C \r\n< ATOM 2101 OE1 GLU B 34 6.076 19.291 -6.531 1.00 0.00 O \r\n< ATOM 2102 OE2 GLU B 34 4.342 18.294 -5.813 1.00 0.00 O \r\n< ATOM 2103 H GLU B 34 10.403 17.589 -5.594 1.00 0.00 H \r\n< ATOM 2104 HA GLU B 34 8.628 16.400 -3.929 1.00 0.00 H \r\n< ATOM 2105 1HB GLU B 34 8.113 18.580 -4.849 1.00 0.00 H \r\n< ATOM 2106 2HB GLU B 34 8.095 17.856 -6.451 1.00 0.00 H \r\n< ATOM 2107 1HG GLU B 34 6.196 16.394 -5.681 1.00 0.00 H \r\n< ATOM 2108 2HG GLU B 34 6.163 17.328 -4.187 1.00 0.00 H \r\n< ATOM 2109 N MET B 35 7.977 14.267 -4.988 1.00 0.00 N \r\n< ATOM 2110 CA MET B 35 7.567 12.976 -5.592 1.00 0.00 C \r\n< ATOM 2111 C MET B 35 6.849 13.197 -6.926 1.00 0.00 C \r\n< ATOM 2112 O MET B 35 5.882 13.930 -7.014 1.00 0.00 O \r\n< ATOM 2113 CB MET B 35 6.669 12.198 -4.632 1.00 0.00 C \r\n< ATOM 2114 CG MET B 35 6.196 10.852 -5.164 1.00 0.00 C \r\n< ATOM 2115 SD MET B 35 7.536 9.653 -5.310 1.00 0.00 S \r\n< ATOM 2116 CE MET B 35 7.905 9.346 -3.585 1.00 0.00 C \r\n< ATOM 2117 H MET B 35 7.824 14.419 -4.001 1.00 0.00 H \r\n< ATOM 2118 HA MET B 35 8.447 12.371 -5.808 1.00 0.00 H \r\n< ATOM 2119 1HB MET B 35 7.202 12.019 -3.699 1.00 0.00 H \r\n< ATOM 2120 2HB MET B 35 5.786 12.793 -4.396 1.00 0.00 H \r\n< ATOM 2121 1HG MET B 35 5.439 10.443 -4.496 1.00 0.00 H \r\n< ATOM 2122 2HG MET B 35 5.746 10.987 -6.147 1.00 0.00 H \r\n< ATOM 2123 1HE MET B 35 8.716 8.621 -3.510 1.00 0.00 H \r\n< ATOM 2124 2HE MET B 35 8.204 10.279 -3.105 1.00 0.00 H \r\n< ATOM 2125 3HE MET B 35 7.019 8.950 -3.088 1.00 0.00 H \r\n---\r\n> ATOM 1921 HA ALA B 21 11.769 25.919 -11.170 1.00 0.00 H \r\n> ATOM 1922 1HB ALA B 21 9.935 26.982 -9.903 1.00 0.00 H \r\n> ATOM 1923 2HB ALA B 21 9.460 26.641 -11.584 1.00 0.00 H \r\n> ATOM 1924 3HB ALA B 21 8.886 25.592 -10.267 1.00 0.00 H \r\n> ATOM 1925 N LEU B 22 12.292 25.343 -8.717 1.00 0.00 N \r\n> ATOM 1926 CA LEU B 22 12.691 24.888 -7.384 1.00 0.00 C \r\n> ATOM 1927 C LEU B 22 13.271 26.029 -6.580 1.00 0.00 C \r\n> ATOM 1928 O LEU B 22 13.892 26.968 -7.117 1.00 0.00 O \r\n> ATOM 1929 CB LEU B 22 13.720 23.755 -7.487 1.00 0.00 C \r\n> ATOM 1930 CG LEU B 22 15.102 24.159 -8.017 1.00 0.00 C \r\n> ATOM 1931 CD1 LEU B 22 16.099 23.041 -7.740 1.00 0.00 C \r\n> ATOM 1932 CD2 LEU B 22 15.009 24.452 -9.507 1.00 0.00 C \r\n> ATOM 1933 H LEU B 22 12.728 26.167 -9.106 1.00 0.00 H \r\n> ATOM 1934 HA LEU B 22 11.814 24.535 -6.841 1.00 0.00 H \r\n> ATOM 1935 1HB LEU B 22 13.859 23.321 -6.498 1.00 0.00 H \r\n> ATOM 1936 2HB LEU B 22 13.324 22.984 -8.147 1.00 0.00 H \r\n> ATOM 1937 HG LEU B 22 15.448 25.050 -7.492 1.00 0.00 H \r\n> ATOM 1938 1HD1 LEU B 22 17.081 23.327 -8.117 1.00 0.00 H \r\n> ATOM 1939 2HD1 LEU B 22 16.160 22.865 -6.666 1.00 0.00 H \r\n> ATOM 1940 3HD1 LEU B 22 15.771 22.130 -8.240 1.00 0.00 H \r\n> ATOM 1941 1HD2 LEU B 22 15.992 24.739 -9.883 1.00 0.00 H \r\n> ATOM 1942 2HD2 LEU B 22 14.666 23.561 -10.032 1.00 0.00 H \r\n> ATOM 1943 3HD2 LEU B 22 14.304 25.266 -9.674 1.00 0.00 H \r\n> ATOM 1944 N LEU B 23 13.075 25.976 -5.274 1.00 0.00 N \r\n> ATOM 1945 CA LEU B 23 13.469 26.920 -4.252 1.00 0.00 C \r\n> ATOM 1946 C LEU B 23 14.895 26.691 -3.764 1.00 0.00 C \r\n> ATOM 1947 O LEU B 23 15.194 25.598 -3.261 1.00 0.00 O \r\n> ATOM 1948 CB LEU B 23 12.499 26.832 -3.066 1.00 0.00 C \r\n> ATOM 1949 CG LEU B 23 12.790 27.781 -1.897 1.00 0.00 C \r\n> ATOM 1950 CD1 LEU B 23 12.754 29.221 -2.391 1.00 0.00 C \r\n> ATOM 1951 CD2 LEU B 23 11.766 27.556 -0.794 1.00 0.00 C \r\n> ATOM 1952 H LEU B 23 12.645 25.266 -4.986 1.00 0.00 H \r\n> ATOM 1953 HA LEU B 23 13.423 27.838 -4.648 1.00 0.00 H \r\n> ATOM 1954 1HB LEU B 23 11.493 27.045 -3.424 1.00 0.00 H \r\n> ATOM 1955 2HB LEU B 23 12.517 25.813 -2.679 1.00 0.00 H \r\n> ATOM 1956 HG LEU B 23 13.790 27.586 -1.510 1.00 0.00 H \r\n> ATOM 1957 1HD1 LEU B 23 12.961 29.896 -1.560 1.00 0.00 H \r\n> ATOM 1958 2HD1 LEU B 23 13.509 29.359 -3.165 1.00 0.00 H \r\n> ATOM 1959 3HD1 LEU B 23 11.769 29.441 -2.800 1.00 0.00 H \r\n> ATOM 1960 1HD2 LEU B 23 11.973 28.230 0.038 1.00 0.00 H \r\n> ATOM 1961 2HD2 LEU B 23 10.766 27.752 -1.180 1.00 0.00 H \r\n> ATOM 1962 3HD2 LEU B 23 11.826 26.524 -0.448 1.00 0.00 H \r\n> ATOM 1963 N ASP B 24 15.773 27.684 -3.916 1.00 0.00 N \r\n> ATOM 1964 CA ASP B 24 17.204 27.469 -3.577 1.00 0.00 C \r\n> ATOM 1965 C ASP B 24 17.427 27.897 -2.129 1.00 0.00 C \r\n> ATOM 1966 O ASP B 24 16.912 28.946 -1.722 1.00 0.00 O \r\n> ATOM 1967 CB ASP B 24 18.130 28.260 -4.505 1.00 0.00 C \r\n> ATOM 1968 CG ASP B 24 18.102 27.754 -5.941 1.00 0.00 C \r\n> ATOM 1969 OD1 ASP B 24 18.310 26.580 -6.141 1.00 0.00 O \r\n> ATOM 1970 OD2 ASP B 24 17.874 28.545 -6.824 1.00 0.00 O \r\n> ATOM 1971 H ASP B 24 15.479 28.587 -4.261 1.00 0.00 H \r\n> ATOM 1972 HA ASP B 24 17.447 26.408 -3.653 1.00 0.00 H \r\n> ATOM 1973 1HB ASP B 24 17.839 29.311 -4.500 1.00 0.00 H \r\n> ATOM 1974 2HB ASP B 24 19.153 28.202 -4.134 1.00 0.00 H \r\n> ATOM 1975 N THR B 25 18.158 27.100 -1.342 1.00 0.00 N \r\n> ATOM 1976 CA THR B 25 18.602 27.496 0.001 1.00 0.00 C \r\n> ATOM 1977 C THR B 25 20.013 27.062 0.320 1.00 0.00 C \r\n> ATOM 1978 O THR B 25 20.530 26.056 -0.204 1.00 0.00 O \r\n> ATOM 1979 CB THR B 25 17.658 26.932 1.079 1.00 0.00 C \r\n> ATOM 1980 OG1 THR B 25 18.058 27.415 2.368 1.00 0.00 O \r\n> ATOM 1981 CG2 THR B 25 17.695 25.411 1.077 1.00 0.00 C \r\n> ATOM 1982 H THR B 25 18.410 26.188 -1.695 1.00 0.00 H \r\n> ATOM 1983 HA THR B 25 18.611 28.583 0.082 1.00 0.00 H \r\n> ATOM 1984 HB THR B 25 16.640 27.265 0.880 1.00 0.00 H \r\n> ATOM 1985 HG1 THR B 25 17.680 26.855 3.050 1.00 0.00 H \r\n> ATOM 1986 1HG2 THR B 25 17.021 25.031 1.845 1.00 0.00 H \r\n> ATOM 1987 2HG2 THR B 25 17.380 25.041 0.102 1.00 0.00 H \r\n> ATOM 1988 3HG2 THR B 25 18.709 25.072 1.284 1.00 0.00 H \r\n> ATOM 1989 N GLY B 26 20.685 27.804 1.236 1.00 0.00 N \r\n> ATOM 1990 CA GLY B 26 22.052 27.459 1.655 1.00 0.00 C \r\n> ATOM 1991 C GLY B 26 22.135 26.846 3.032 1.00 0.00 C \r\n> ATOM 1992 O GLY B 26 23.227 26.443 3.455 1.00 0.00 O \r\n> ATOM 1993 H GLY B 26 20.236 28.614 1.640 1.00 0.00 H \r\n> ATOM 1994 1HA GLY B 26 22.470 26.741 0.950 1.00 0.00 H \r\n> ATOM 1995 2HA GLY B 26 22.662 28.361 1.659 1.00 0.00 H \r\n> ATOM 1996 N ALA B 27 20.998 26.732 3.739 1.00 0.00 N \r\n> ATOM 1997 CA ALA B 27 20.961 26.173 5.108 1.00 0.00 C \r\n> ATOM 1998 C ALA B 27 21.029 24.664 5.174 1.00 0.00 C \r\n> ATOM 1999 O ALA B 27 21.599 24.139 6.147 1.00 0.00 O \r\n> ATOM 2000 CB ALA B 27 19.704 26.642 5.826 1.00 0.00 C \r\n> ATOM 2001 H ALA B 27 20.138 27.043 3.311 1.00 0.00 H \r\n> ATOM 2002 HA ALA B 27 21.832 26.531 5.656 1.00 0.00 H \r\n> ATOM 2003 1HB ALA B 27 19.691 26.237 6.838 1.00 0.00 H \r\n> ATOM 2004 2HB ALA B 27 19.696 27.731 5.871 1.00 0.00 H \r\n> ATOM 2005 3HB ALA B 27 18.826 26.295 5.285 1.00 0.00 H \r\n> ATOM 2006 N ASP B 28 20.488 23.957 4.174 1.00 0.00 N \r\n> ATOM 2007 CA ASP B 28 20.425 22.489 4.201 1.00 0.00 C \r\n> ATOM 2008 C ASP B 28 21.354 21.891 3.165 1.00 0.00 C \r\n> ATOM 2009 O ASP B 28 21.736 22.594 2.196 1.00 0.00 O \r\n> ATOM 2010 CB ASP B 28 18.997 21.998 3.952 1.00 0.00 C \r\n> ATOM 2011 CG ASP B 28 18.031 22.398 5.059 1.00 0.00 C \r\n> ATOM 2012 OD1 ASP B 28 18.396 22.292 6.206 1.00 0.00 O \r\n> ATOM 2013 OD2 ASP B 28 16.938 22.806 4.747 1.00 0.00 O \r\n> ATOM 2014 H ASP B 28 20.111 24.450 3.377 1.00 0.00 H \r\n> ATOM 2015 HA ASP B 28 20.763 22.123 5.172 1.00 0.00 H \r\n> ATOM 2016 1HB ASP B 28 18.633 22.402 3.008 1.00 0.00 H \r\n> ATOM 2017 2HB ASP B 28 18.996 20.911 3.865 1.00 0.00 H \r\n> ATOM 2018 N ASP B 29 21.714 20.622 3.258 1.00 0.00 N \r\n> ATOM 2019 CA ASP B 29 22.684 20.043 2.337 1.00 0.00 C \r\n> ATOM 2020 C ASP B 29 21.994 19.149 1.319 1.00 0.00 C \r\n> ATOM 2021 O ASP B 29 22.148 19.363 0.089 1.00 0.00 O \r\n> ATOM 2022 CB ASP B 29 23.748 19.251 3.101 1.00 0.00 C \r\n> ATOM 2023 CG ASP B 29 24.600 20.089 4.043 1.00 0.00 C \r\n> ATOM 2024 OD1 ASP B 29 25.151 21.070 3.602 1.00 0.00 O \r\n> ATOM 2025 OD2 ASP B 29 24.570 19.835 5.224 1.00 0.00 O \r\n> ATOM 2026 H ASP B 29 21.362 20.117 3.888 1.00 0.00 H \r\n> ATOM 2027 HA ASP B 29 23.163 20.779 1.858 1.00 0.00 H \r\n> ATOM 2028 1HB ASP B 29 23.347 18.392 3.640 1.00 0.00 H \r\n> ATOM 2029 2HB ASP B 29 24.362 18.903 2.268 1.00 0.00 H \r\n> ATOM 2030 N THR B 30 21.267 18.130 1.798 1.00 0.00 N \r\n> ATOM 2031 CA THR B 30 20.772 16.999 0.981 1.00 0.00 C \r\n> ATOM 2032 C THR B 30 19.584 17.501 0.128 1.00 0.00 C \r\n> ATOM 2033 O THR B 30 18.548 17.875 0.680 1.00 0.00 O \r\n> ATOM 2034 CB THR B 30 20.338 15.806 1.854 1.00 0.00 C \r\n> ATOM 2035 OG1 THR B 30 21.452 15.352 2.634 1.00 0.00 O \r\n> ATOM 2036 CG2 THR B 30 19.834 14.665 0.984 1.00 0.00 C \r\n> ATOM 2037 H THR B 30 21.054 18.153 2.785 1.00 0.00 H \r\n> ATOM 2038 HA THR B 30 21.555 16.665 0.300 1.00 0.00 H \r\n> ATOM 2039 HB THR B 30 19.543 16.120 2.530 1.00 0.00 H \r\n> ATOM 2040 HG1 THR B 30 21.289 14.453 2.929 1.00 0.00 H \r\n> ATOM 2041 1HG2 THR B 30 19.532 13.831 1.618 1.00 0.00 H \r\n> ATOM 2042 2HG2 THR B 30 18.980 15.004 0.398 1.00 0.00 H \r\n> ATOM 2043 3HG2 THR B 30 20.628 14.341 0.313 1.00 0.00 H \r\n> ATOM 2044 N VAL B 31 19.739 17.506 -1.186 1.00 0.00 N \r\n> ATOM 2045 CA VAL B 31 18.800 18.093 -2.167 1.00 0.00 C \r\n> ATOM 2046 C VAL B 31 17.575 17.194 -2.260 1.00 0.00 C \r\n> ATOM 2047 O VAL B 31 17.724 15.955 -2.440 1.00 0.00 O \r\n> ATOM 2048 CB VAL B 31 19.452 18.228 -3.556 1.00 0.00 C \r\n> ATOM 2049 CG1 VAL B 31 18.440 18.735 -4.572 1.00 0.00 C \r\n> ATOM 2050 CG2 VAL B 31 20.651 19.161 -3.476 1.00 0.00 C \r\n> ATOM 2051 H VAL B 31 20.584 17.063 -1.517 1.00 0.00 H \r\n> ATOM 2052 HA VAL B 31 18.438 19.067 -1.835 1.00 0.00 H \r\n> ATOM 2053 HB VAL B 31 19.778 17.243 -3.891 1.00 0.00 H \r\n> ATOM 2054 1HG1 VAL B 31 18.918 18.825 -5.548 1.00 0.00 H \r\n> ATOM 2055 2HG1 VAL B 31 17.608 18.034 -4.638 1.00 0.00 H \r\n> ATOM 2056 3HG1 VAL B 31 18.069 19.711 -4.260 1.00 0.00 H \r\n> ATOM 2057 1HG2 VAL B 31 21.107 19.251 -4.461 1.00 0.00 H \r\n> ATOM 2058 2HG2 VAL B 31 20.325 20.144 -3.135 1.00 0.00 H \r\n> ATOM 2059 3HG2 VAL B 31 21.381 18.757 -2.774 1.00 0.00 H \r\n> ATOM 2060 N LEU B 32 16.355 17.766 -2.148 1.00 0.00 N \r\n> ATOM 2061 CA LEU B 32 15.137 16.940 -2.096 1.00 0.00 C \r\n> ATOM 2062 C LEU B 32 14.134 17.411 -3.134 1.00 0.00 C \r\n> ATOM 2063 O LEU B 32 13.889 18.630 -3.230 1.00 0.00 O \r\n> ATOM 2064 CB LEU B 32 14.501 16.997 -0.701 1.00 0.00 C \r\n> ATOM 2065 CG LEU B 32 15.414 16.592 0.463 1.00 0.00 C \r\n> ATOM 2066 CD1 LEU B 32 14.674 16.785 1.780 1.00 0.00 C \r\n> ATOM 2067 CD2 LEU B 32 15.851 15.146 0.288 1.00 0.00 C \r\n> ATOM 2068 H LEU B 32 16.270 18.771 -2.098 1.00 0.00 H \r\n> ATOM 2069 HA LEU B 32 15.385 15.908 -2.342 1.00 0.00 H \r\n> ATOM 2070 1HB LEU B 32 14.160 18.014 -0.516 1.00 0.00 H \r\n> ATOM 2071 2HB LEU B 32 13.634 16.336 -0.687 1.00 0.00 H \r\n> ATOM 2072 HG LEU B 32 16.293 17.238 0.478 1.00 0.00 H \r\n> ATOM 2073 1HD1 LEU B 32 15.323 16.498 2.608 1.00 0.00 H \r\n> ATOM 2074 2HD1 LEU B 32 14.391 17.832 1.889 1.00 0.00 H \r\n> ATOM 2075 3HD1 LEU B 32 13.780 16.163 1.789 1.00 0.00 H \r\n> ATOM 2076 1HD2 LEU B 32 16.501 14.858 1.115 1.00 0.00 H \r\n> ATOM 2077 2HD2 LEU B 32 14.973 14.500 0.275 1.00 0.00 H \r\n> ATOM 2078 3HD2 LEU B 32 16.393 15.041 -0.652 1.00 0.00 H \r\n> ATOM 2079 N GLU B 33 13.592 16.482 -3.925 1.00 0.00 N \r\n> ATOM 2080 CA GLU B 33 12.630 16.718 -4.950 1.00 0.00 C \r\n> ATOM 2081 C GLU B 33 11.240 16.265 -4.524 1.00 0.00 C \r\n> ATOM 2082 O GLU B 33 11.109 15.313 -3.744 1.00 0.00 O \r\n> ATOM 2083 CB GLU B 33 13.052 16.001 -6.234 1.00 0.00 C \r\n> ATOM 2084 CG GLU B 33 14.296 16.576 -6.895 1.00 0.00 C \r\n> ATOM 2085 CD GLU B 33 14.595 15.945 -8.227 1.00 0.00 C \r\n> ATOM 2086 OE1 GLU B 33 14.065 14.894 -8.498 1.00 0.00 O \r\n> ATOM 2087 OE2 GLU B 33 15.354 16.516 -8.975 1.00 0.00 O \r\n> ATOM 2088 H GLU B 33 13.910 15.538 -3.759 1.00 0.00 H \r\n> ATOM 2089 HA GLU B 33 12.558 17.788 -5.149 1.00 0.00 H \r\n> ATOM 2090 1HB GLU B 33 13.244 14.950 -6.017 1.00 0.00 H \r\n> ATOM 2091 2HB GLU B 33 12.238 16.043 -6.958 1.00 0.00 H \r\n> ATOM 2092 1HG GLU B 33 14.157 17.648 -7.037 1.00 0.00 H \r\n> ATOM 2093 2HG GLU B 33 15.147 16.432 -6.231 1.00 0.00 H \r\n> ATOM 2094 N GLU B 34 10.219 16.911 -5.071 1.00 0.00 N \r\n> ATOM 2095 CA GLU B 34 8.812 16.541 -4.912 1.00 0.00 C \r\n> ATOM 2096 C GLU B 34 8.548 15.230 -5.667 1.00 0.00 C \r\n> ATOM 2097 O GLU B 34 8.860 15.090 -6.860 1.00 0.00 O \r\n> ATOM 2098 CB GLU B 34 7.894 17.651 -5.429 1.00 0.00 C \r\n> ATOM 2099 CG GLU B 34 6.408 17.360 -5.277 1.00 0.00 C \r\n> ATOM 2100 CD GLU B 34 5.540 18.374 -5.967 1.00 0.00 C \r\n> ATOM 2101 OE1 GLU B 34 6.074 19.266 -6.581 1.00 0.00 O \r\n> ATOM 2102 OE2 GLU B 34 4.340 18.257 -5.879 1.00 0.00 O \r\n> ATOM 2103 H GLU B 34 10.401 17.615 -5.565 1.00 0.00 H \r\n> ATOM 2104 HA GLU B 34 8.617 16.405 -3.942 1.00 0.00 H \r\n> ATOM 2105 1HB GLU B 34 8.110 18.578 -4.897 1.00 0.00 H \r\n> ATOM 2106 2HB GLU B 34 8.095 17.826 -6.486 1.00 0.00 H \r\n> ATOM 2107 1HG GLU B 34 6.197 16.375 -5.693 1.00 0.00 H \r\n> ATOM 2108 2HG GLU B 34 6.160 17.336 -4.217 1.00 0.00 H \r\n> ATOM 2109 N MET B 35 7.971 14.266 -4.994 1.00 0.00 N \r\n> ATOM 2110 CA MET B 35 7.562 12.974 -5.595 1.00 0.00 C \r\n> ATOM 2111 C MET B 35 6.851 13.191 -6.933 1.00 0.00 C \r\n> ATOM 2112 O MET B 35 5.881 13.919 -7.027 1.00 0.00 O \r\n> ATOM 2113 CB MET B 35 6.658 12.201 -4.637 1.00 0.00 C \r\n> ATOM 2114 CG MET B 35 6.196 10.848 -5.160 1.00 0.00 C \r\n> ATOM 2115 SD MET B 35 7.541 9.651 -5.274 1.00 0.00 S \r\n> ATOM 2116 CE MET B 35 7.897 9.377 -3.541 1.00 0.00 C \r\n> ATOM 2117 H MET B 35 7.802 14.427 -4.011 1.00 0.00 H \r\n> ATOM 2118 HA MET B 35 8.443 12.366 -5.804 1.00 0.00 H \r\n> ATOM 2119 1HB MET B 35 7.182 12.034 -3.697 1.00 0.00 H \r\n> ATOM 2120 2HB MET B 35 5.770 12.794 -4.415 1.00 0.00 H \r\n> ATOM 2121 1HG MET B 35 5.430 10.444 -4.499 1.00 0.00 H \r\n> ATOM 2122 2HG MET B 35 5.760 10.971 -6.152 1.00 0.00 H \r\n> ATOM 2123 1HE MET B 35 8.711 8.657 -3.447 1.00 0.00 H \r\n> ATOM 2124 2HE MET B 35 8.190 10.319 -3.076 1.00 0.00 H \r\n> ATOM 2125 3HE MET B 35 7.008 8.987 -3.044 1.00 0.00 H \r\n2335,2336c2335,2336\r\n< ATOM 2324 C GLY B 47 14.219 9.920 4.868 1.00 0.00 C \r\n< ATOM 2325 O GLY B 47 13.210 9.324 5.258 1.00 0.00 O \r\n---\r\n> ATOM 2324 C GLY B 47 14.210 9.926 4.853 1.00 0.00 C \r\n> ATOM 2325 O GLY B 47 13.177 9.348 5.205 1.00 0.00 O \r\n2338,2458c2338,2458\r\n< ATOM 2327 1HA GLY B 47 16.216 9.209 4.417 1.00 0.00 H \r\n< ATOM 2328 2HA GLY B 47 15.329 9.835 3.008 1.00 0.00 H \r\n< ATOM 2329 N GLY B 48 14.488 11.180 5.217 1.00 0.00 N \r\n< ATOM 2330 CA GLY B 48 13.608 11.924 6.089 1.00 0.00 C \r\n< ATOM 2331 C GLY B 48 14.288 12.703 7.209 1.00 0.00 C \r\n< ATOM 2332 O GLY B 48 15.490 12.618 7.466 1.00 0.00 O \r\n< ATOM 2333 H GLY B 48 15.217 11.565 4.908 1.00 0.00 H \r\n< ATOM 2334 1HA GLY B 48 13.051 12.651 5.496 1.00 0.00 H \r\n< ATOM 2335 2HA GLY B 48 12.912 11.235 6.565 1.00 0.00 H \r\n< ATOM 2336 N ILE B 49 13.445 13.492 7.869 1.00 0.00 N \r\n< ATOM 2337 CA ILE B 49 13.906 14.381 8.938 1.00 0.00 C \r\n< ATOM 2338 C ILE B 49 12.956 14.297 10.141 1.00 0.00 C \r\n< ATOM 2339 O ILE B 49 12.347 13.245 10.395 1.00 0.00 O \r\n< ATOM 2340 CB ILE B 49 14.001 15.838 8.447 1.00 0.00 C \r\n< ATOM 2341 CG1 ILE B 49 12.662 16.291 7.860 1.00 0.00 C \r\n< ATOM 2342 CG2 ILE B 49 15.112 15.981 7.419 1.00 0.00 C \r\n< ATOM 2343 CD1 ILE B 49 12.700 17.673 7.250 1.00 0.00 C \r\n< ATOM 2344 H ILE B 49 12.464 13.480 7.629 1.00 0.00 H \r\n< ATOM 2345 HA ILE B 49 14.876 14.057 9.316 1.00 0.00 H \r\n< ATOM 2346 HB ILE B 49 14.213 16.493 9.292 1.00 0.00 H \r\n< ATOM 2347 1HG1 ILE B 49 12.344 15.587 7.092 1.00 0.00 H \r\n< ATOM 2348 2HG1 ILE B 49 11.901 16.285 8.642 1.00 0.00 H \r\n< ATOM 2349 1HG2 ILE B 49 15.165 17.016 7.082 1.00 0.00 H \r\n< ATOM 2350 2HG2 ILE B 49 16.063 15.697 7.869 1.00 0.00 H \r\n< ATOM 2351 3HG2 ILE B 49 14.906 15.333 6.568 1.00 0.00 H \r\n< ATOM 2352 1HD1 ILE B 49 11.714 17.924 6.856 1.00 0.00 H \r\n< ATOM 2353 2HD1 ILE B 49 12.981 18.401 8.012 1.00 0.00 H \r\n< ATOM 2354 3HD1 ILE B 49 13.429 17.694 6.441 1.00 0.00 H \r\n< ATOM 2355 N GLY B 50 12.920 15.395 10.904 1.00 0.00 N \r\n< ATOM 2356 CA GLY B 50 12.034 15.410 12.096 1.00 0.00 C \r\n< ATOM 2357 C GLY B 50 10.744 14.658 11.720 1.00 0.00 C \r\n< ATOM 2358 O GLY B 50 10.155 14.953 10.659 1.00 0.00 O \r\n< ATOM 2359 H GLY B 50 13.476 16.212 10.694 1.00 0.00 H \r\n< ATOM 2360 1HA GLY B 50 12.544 14.918 12.925 1.00 0.00 H \r\n< ATOM 2361 2HA GLY B 50 11.818 16.442 12.366 1.00 0.00 H \r\n< ATOM 2362 N GLY B 51 10.354 13.723 12.567 1.00 0.00 N \r\n< ATOM 2363 CA GLY B 51 9.222 12.844 12.267 1.00 0.00 C \r\n< ATOM 2364 C GLY B 51 9.545 11.511 11.634 1.00 0.00 C \r\n< ATOM 2365 O GLY B 51 8.755 10.972 10.824 1.00 0.00 O \r\n< ATOM 2366 H GLY B 51 10.782 13.624 13.329 1.00 0.00 H \r\n< ATOM 2367 1HA GLY B 51 8.691 12.619 13.192 1.00 0.00 H \r\n< ATOM 2368 2HA GLY B 51 8.550 13.352 11.577 1.00 0.00 H \r\n< ATOM 2369 N PHE B 52 10.713 10.915 11.913 1.00 0.00 N \r\n< ATOM 2370 CA PHE B 52 11.045 9.574 11.380 1.00 0.00 C \r\n< ATOM 2371 C PHE B 52 11.414 9.587 9.904 1.00 0.00 C \r\n< ATOM 2372 O PHE B 52 11.363 10.621 9.224 1.00 0.00 O \r\n< ATOM 2373 CB PHE B 52 9.874 8.613 11.597 1.00 0.00 C \r\n< ATOM 2374 CG PHE B 52 9.500 8.430 13.041 1.00 0.00 C \r\n< ATOM 2375 CD1 PHE B 52 8.344 9.002 13.550 1.00 0.00 C \r\n< ATOM 2376 CD2 PHE B 52 10.303 7.688 13.892 1.00 0.00 C \r\n< ATOM 2377 CE1 PHE B 52 7.999 8.834 14.877 1.00 0.00 C \r\n< ATOM 2378 CE2 PHE B 52 9.960 7.518 15.219 1.00 0.00 C \r\n< ATOM 2379 CZ PHE B 52 8.806 8.092 15.712 1.00 0.00 C \r\n< ATOM 2380 H PHE B 52 11.383 11.391 12.500 1.00 0.00 H \r\n< ATOM 2381 HA PHE B 52 11.921 9.177 11.895 1.00 0.00 H \r\n< ATOM 2382 1HB PHE B 52 8.985 8.986 11.089 1.00 0.00 H \r\n< ATOM 2383 2HB PHE B 52 10.124 7.625 11.213 1.00 0.00 H \r\n< ATOM 2384 HD1 PHE B 52 7.703 9.588 12.890 1.00 0.00 H \r\n< ATOM 2385 HD2 PHE B 52 11.216 7.235 13.502 1.00 0.00 H \r\n< ATOM 2386 HE1 PHE B 52 7.086 9.289 15.264 1.00 0.00 H \r\n< ATOM 2387 HE2 PHE B 52 10.601 6.931 15.877 1.00 0.00 H \r\n< ATOM 2388 HZ PHE B 52 8.536 7.960 16.759 1.00 0.00 H \r\n< ATOM 2389 N ILE B 53 11.812 8.417 9.447 1.00 0.00 N \r\n< ATOM 2390 CA ILE B 53 12.277 8.186 8.071 1.00 0.00 C \r\n< ATOM 2391 C ILE B 53 11.487 7.084 7.345 1.00 0.00 C \r\n< ATOM 2392 O ILE B 53 11.044 6.092 7.929 1.00 0.00 O \r\n< ATOM 2393 CB ILE B 53 13.771 7.815 8.050 1.00 0.00 C \r\n< ATOM 2394 CG1 ILE B 53 14.025 6.571 8.906 1.00 0.00 C \r\n< ATOM 2395 CG2 ILE B 53 14.615 8.983 8.540 1.00 0.00 C \r\n< ATOM 2396 CD1 ILE B 53 15.459 6.094 8.879 1.00 0.00 C \r\n< ATOM 2397 H ILE B 53 11.790 7.643 10.095 1.00 0.00 H \r\n< ATOM 2398 HA ILE B 53 12.113 9.069 7.457 1.00 0.00 H \r\n< ATOM 2399 HB ILE B 53 14.060 7.560 7.032 1.00 0.00 H \r\n< ATOM 2400 1HG1 ILE B 53 13.743 6.817 9.928 1.00 0.00 H \r\n< ATOM 2401 2HG1 ILE B 53 13.373 5.782 8.530 1.00 0.00 H \r\n< ATOM 2402 1HG2 ILE B 53 15.668 8.704 8.520 1.00 0.00 H \r\n< ATOM 2403 2HG2 ILE B 53 14.455 9.844 7.893 1.00 0.00 H \r\n< ATOM 2404 3HG2 ILE B 53 14.328 9.238 9.560 1.00 0.00 H \r\n< ATOM 2405 1HD1 ILE B 53 15.561 5.209 9.506 1.00 0.00 H \r\n< ATOM 2406 2HD1 ILE B 53 15.742 5.846 7.855 1.00 0.00 H \r\n< ATOM 2407 3HD1 ILE B 53 16.112 6.881 9.254 1.00 0.00 H \r\n< ATOM 2408 N LYS B 54 11.382 7.112 6.032 1.00 0.00 N \r\n< ATOM 2409 CA LYS B 54 10.430 6.473 5.114 1.00 0.00 C \r\n< ATOM 2410 C LYS B 54 11.103 6.234 3.751 1.00 0.00 C \r\n< ATOM 2411 O LYS B 54 12.023 6.959 3.317 1.00 0.00 O \r\n< ATOM 2412 CB LYS B 54 9.174 7.329 4.949 1.00 0.00 C \r\n< ATOM 2413 CG LYS B 54 8.376 7.527 6.231 1.00 0.00 C \r\n< ATOM 2414 CD LYS B 54 7.089 8.295 5.968 1.00 0.00 C \r\n< ATOM 2415 CE LYS B 54 6.301 8.513 7.251 1.00 0.00 C \r\n< ATOM 2416 NZ LYS B 54 5.032 9.250 7.006 1.00 0.00 N \r\n< ATOM 2417 H LYS B 54 11.989 7.839 5.683 1.00 0.00 H \r\n< ATOM 2418 HA LYS B 54 10.138 5.497 5.505 1.00 0.00 H \r\n< ATOM 2419 1HB LYS B 54 9.451 8.314 4.572 1.00 0.00 H \r\n< ATOM 2420 2HB LYS B 54 8.514 6.870 4.212 1.00 0.00 H \r\n< ATOM 2421 1HG LYS B 54 8.128 6.555 6.660 1.00 0.00 H \r\n< ATOM 2422 2HG LYS B 54 8.977 8.080 6.952 1.00 0.00 H \r\n< ATOM 2423 1HD LYS B 54 7.327 9.264 5.528 1.00 0.00 H \r\n< ATOM 2424 2HD LYS B 54 6.471 7.738 5.264 1.00 0.00 H \r\n< ATOM 2425 1HE LYS B 54 6.066 7.550 7.702 1.00 0.00 H \r\n< ATOM 2426 2HE LYS B 54 6.906 9.082 7.957 1.00 0.00 H \r\n< ATOM 2427 1HZ LYS B 54 4.540 9.375 7.880 1.00 0.00 H \r\n< ATOM 2428 2HZ LYS B 54 5.239 10.154 6.605 1.00 0.00 H \r\n< ATOM 2429 3HZ LYS B 54 4.453 8.724 6.367 1.00 0.00 H \r\n< ATOM 2430 N VAL B 55 10.600 5.199 3.060 1.00 0.00 N \r\n< ATOM 2431 CA VAL B 55 11.083 4.805 1.727 1.00 0.00 C \r\n< ATOM 2432 C VAL B 55 10.578 5.811 0.689 1.00 0.00 C \r\n< ATOM 2433 O VAL B 55 9.366 6.069 0.583 1.00 0.00 O \r\n< ATOM 2434 CB VAL B 55 10.621 3.389 1.338 1.00 0.00 C \r\n< ATOM 2435 CG1 VAL B 55 11.069 3.052 -0.077 1.00 0.00 C \r\n< ATOM 2436 CG2 VAL B 55 11.158 2.362 2.324 1.00 0.00 C \r\n< ATOM 2437 H VAL B 55 9.853 4.671 3.489 1.00 0.00 H \r\n< ATOM 2438 HA VAL B 55 12.171 4.843 1.673 1.00 0.00 H \r\n< ATOM 2439 HB VAL B 55 9.533 3.343 1.394 1.00 0.00 H \r\n< ATOM 2440 1HG1 VAL B 55 10.734 2.048 -0.335 1.00 0.00 H \r\n< ATOM 2441 2HG1 VAL B 55 10.638 3.769 -0.775 1.00 0.00 H \r\n< ATOM 2442 3HG1 VAL B 55 12.157 3.096 -0.134 1.00 0.00 H \r\n< ATOM 2443 1HG2 VAL B 55 10.822 1.367 2.035 1.00 0.00 H \r\n< ATOM 2444 2HG2 VAL B 55 12.248 2.392 2.322 1.00 0.00 H \r\n< ATOM 2445 3HG2 VAL B 55 10.791 2.592 3.325 1.00 0.00 H \r\n< ATOM 2446 N ARG B 56 11.523 6.366 -0.065 1.00 0.00 N \r\n< ATOM 2447 CA ARG B 56 11.235 7.303 -1.165 1.00 0.00 C \r\n---\r\n> ATOM 2327 1HA GLY B 47 16.210 9.208 4.429 1.00 0.00 H \r\n> ATOM 2328 2HA GLY B 47 15.342 9.831 3.007 1.00 0.00 H \r\n> ATOM 2329 N GLY B 48 14.497 11.174 5.232 1.00 0.00 N \r\n> ATOM 2330 CA GLY B 48 13.618 11.918 6.103 1.00 0.00 C \r\n> ATOM 2331 C GLY B 48 14.300 12.733 7.196 1.00 0.00 C \r\n> ATOM 2332 O GLY B 48 15.513 12.704 7.411 1.00 0.00 O \r\n> ATOM 2333 H GLY B 48 15.241 11.550 4.944 1.00 0.00 H \r\n> ATOM 2334 1HA GLY B 48 13.037 12.622 5.506 1.00 0.00 H \r\n> ATOM 2335 2HA GLY B 48 12.943 11.226 6.605 1.00 0.00 H \r\n> ATOM 2336 N ILE B 49 13.446 13.487 7.883 1.00 0.00 N \r\n> ATOM 2337 CA ILE B 49 13.903 14.398 8.934 1.00 0.00 C \r\n> ATOM 2338 C ILE B 49 12.994 14.281 10.166 1.00 0.00 C \r\n> ATOM 2339 O ILE B 49 12.461 13.198 10.459 1.00 0.00 O \r\n> ATOM 2340 CB ILE B 49 13.922 15.855 8.436 1.00 0.00 C \r\n> ATOM 2341 CG1 ILE B 49 12.558 16.241 7.859 1.00 0.00 C \r\n> ATOM 2342 CG2 ILE B 49 15.016 16.047 7.397 1.00 0.00 C \r\n> ATOM 2343 CD1 ILE B 49 12.495 17.657 7.334 1.00 0.00 C \r\n> ATOM 2344 H ILE B 49 12.458 13.430 7.675 1.00 0.00 H \r\n> ATOM 2345 HA ILE B 49 14.896 14.116 9.283 1.00 0.00 H \r\n> ATOM 2346 HB ILE B 49 14.110 16.524 9.275 1.00 0.00 H \r\n> ATOM 2347 1HG1 ILE B 49 12.302 15.563 7.046 1.00 0.00 H \r\n> ATOM 2348 2HG1 ILE B 49 11.793 16.129 8.629 1.00 0.00 H \r\n> ATOM 2349 1HG2 ILE B 49 15.016 17.082 7.055 1.00 0.00 H \r\n> ATOM 2350 2HG2 ILE B 49 15.983 15.812 7.839 1.00 0.00 H \r\n> ATOM 2351 3HG2 ILE B 49 14.834 15.385 6.550 1.00 0.00 H \r\n> ATOM 2352 1HD1 ILE B 49 11.497 17.856 6.942 1.00 0.00 H \r\n> ATOM 2353 2HD1 ILE B 49 12.713 18.355 8.142 1.00 0.00 H \r\n> ATOM 2354 3HD1 ILE B 49 13.228 17.782 6.538 1.00 0.00 H \r\n> ATOM 2355 N GLY B 50 12.909 15.391 10.907 1.00 0.00 N \r\n> ATOM 2356 CA GLY B 50 12.029 15.388 12.103 1.00 0.00 C \r\n> ATOM 2357 C GLY B 50 10.743 14.629 11.727 1.00 0.00 C \r\n> ATOM 2358 O GLY B 50 10.169 14.902 10.652 1.00 0.00 O \r\n> ATOM 2359 H GLY B 50 13.424 16.229 10.678 1.00 0.00 H \r\n> ATOM 2360 1HA GLY B 50 12.547 14.892 12.925 1.00 0.00 H \r\n> ATOM 2361 2HA GLY B 50 11.806 16.416 12.384 1.00 0.00 H \r\n> ATOM 2362 N GLY B 51 10.341 13.713 12.589 1.00 0.00 N \r\n> ATOM 2363 CA GLY B 51 9.213 12.827 12.292 1.00 0.00 C \r\n> ATOM 2364 C GLY B 51 9.543 11.501 11.647 1.00 0.00 C \r\n> ATOM 2365 O GLY B 51 8.756 10.968 10.828 1.00 0.00 O \r\n> ATOM 2366 H GLY B 51 10.757 13.632 13.359 1.00 0.00 H \r\n> ATOM 2367 1HA GLY B 51 8.692 12.591 13.220 1.00 0.00 H \r\n> ATOM 2368 2HA GLY B 51 8.531 13.334 11.612 1.00 0.00 H \r\n> ATOM 2369 N PHE B 52 10.712 10.906 11.922 1.00 0.00 N \r\n> ATOM 2370 CA PHE B 52 11.045 9.569 11.382 1.00 0.00 C \r\n> ATOM 2371 C PHE B 52 11.416 9.590 9.906 1.00 0.00 C \r\n> ATOM 2372 O PHE B 52 11.363 10.627 9.232 1.00 0.00 O \r\n> ATOM 2373 CB PHE B 52 9.876 8.605 11.594 1.00 0.00 C \r\n> ATOM 2374 CG PHE B 52 9.502 8.413 13.036 1.00 0.00 C \r\n> ATOM 2375 CD1 PHE B 52 8.344 8.980 13.548 1.00 0.00 C \r\n> ATOM 2376 CD2 PHE B 52 10.306 7.667 13.883 1.00 0.00 C \r\n> ATOM 2377 CE1 PHE B 52 7.998 8.804 14.874 1.00 0.00 C \r\n> ATOM 2378 CE2 PHE B 52 9.962 7.489 15.210 1.00 0.00 C \r\n> ATOM 2379 CZ PHE B 52 8.807 8.059 15.704 1.00 0.00 C \r\n> ATOM 2380 H PHE B 52 11.380 11.380 12.513 1.00 0.00 H \r\n> ATOM 2381 HA PHE B 52 11.922 9.170 11.896 1.00 0.00 H \r\n> ATOM 2382 1HB PHE B 52 8.987 8.978 11.087 1.00 0.00 H \r\n> ATOM 2383 2HB PHE B 52 10.128 7.619 11.204 1.00 0.00 H \r\n> ATOM 2384 HD1 PHE B 52 7.703 9.568 12.890 1.00 0.00 H \r\n> ATOM 2385 HD2 PHE B 52 11.219 7.218 13.491 1.00 0.00 H \r\n> ATOM 2386 HE1 PHE B 52 7.085 9.255 15.263 1.00 0.00 H \r\n> ATOM 2387 HE2 PHE B 52 10.603 6.899 15.865 1.00 0.00 H \r\n> ATOM 2388 HZ PHE B 52 8.536 7.921 16.751 1.00 0.00 H \r\n> ATOM 2389 N ILE B 53 11.816 8.423 9.443 1.00 0.00 N \r\n> ATOM 2390 CA ILE B 53 12.281 8.200 8.067 1.00 0.00 C \r\n> ATOM 2391 C ILE B 53 11.494 7.101 7.334 1.00 0.00 C \r\n> ATOM 2392 O ILE B 53 11.052 6.105 7.912 1.00 0.00 O \r\n> ATOM 2393 CB ILE B 53 13.776 7.832 8.044 1.00 0.00 C \r\n> ATOM 2394 CG1 ILE B 53 14.031 6.584 8.893 1.00 0.00 C \r\n> ATOM 2395 CG2 ILE B 53 14.618 8.999 8.541 1.00 0.00 C \r\n> ATOM 2396 CD1 ILE B 53 15.467 6.110 8.865 1.00 0.00 C \r\n> ATOM 2397 H ILE B 53 11.794 7.646 10.087 1.00 0.00 H \r\n> ATOM 2398 HA ILE B 53 12.116 9.087 7.457 1.00 0.00 H \r\n> ATOM 2399 HB ILE B 53 14.066 7.583 7.025 1.00 0.00 H \r\n> ATOM 2400 1HG1 ILE B 53 13.748 6.824 9.917 1.00 0.00 H \r\n> ATOM 2401 2HG1 ILE B 53 13.381 5.796 8.513 1.00 0.00 H \r\n> ATOM 2402 1HG2 ILE B 53 15.672 8.722 8.520 1.00 0.00 H \r\n> ATOM 2403 2HG2 ILE B 53 14.457 9.863 7.898 1.00 0.00 H \r\n> ATOM 2404 3HG2 ILE B 53 14.330 9.247 9.562 1.00 0.00 H \r\n> ATOM 2405 1HD1 ILE B 53 15.570 5.221 9.487 1.00 0.00 H \r\n> ATOM 2406 2HD1 ILE B 53 15.751 5.868 7.840 1.00 0.00 H \r\n> ATOM 2407 3HD1 ILE B 53 16.118 6.896 9.244 1.00 0.00 H \r\n> ATOM 2408 N LYS B 54 11.389 7.123 6.027 1.00 0.00 N \r\n> ATOM 2409 CA LYS B 54 10.438 6.474 5.114 1.00 0.00 C \r\n> ATOM 2410 C LYS B 54 11.108 6.233 3.751 1.00 0.00 C \r\n> ATOM 2411 O LYS B 54 12.031 6.954 3.316 1.00 0.00 O \r\n> ATOM 2412 CB LYS B 54 9.176 7.323 4.950 1.00 0.00 C \r\n> ATOM 2413 CG LYS B 54 8.387 7.532 6.235 1.00 0.00 C \r\n> ATOM 2414 CD LYS B 54 7.097 8.295 5.973 1.00 0.00 C \r\n> ATOM 2415 CE LYS B 54 6.320 8.529 7.261 1.00 0.00 C \r\n> ATOM 2416 NZ LYS B 54 5.051 9.268 7.019 1.00 0.00 N \r\n> ATOM 2417 H LYS B 54 11.981 7.862 5.676 1.00 0.00 H \r\n> ATOM 2418 HA LYS B 54 10.152 5.499 5.511 1.00 0.00 H \r\n> ATOM 2419 1HB LYS B 54 9.446 8.305 4.560 1.00 0.00 H \r\n> ATOM 2420 2HB LYS B 54 8.514 6.853 4.223 1.00 0.00 H \r\n> ATOM 2421 1HG LYS B 54 8.143 6.563 6.674 1.00 0.00 H \r\n> ATOM 2422 2HG LYS B 54 8.992 8.092 6.947 1.00 0.00 H \r\n> ATOM 2423 1HD LYS B 54 7.330 9.258 5.519 1.00 0.00 H \r\n> ATOM 2424 2HD LYS B 54 6.473 7.728 5.282 1.00 0.00 H \r\n> ATOM 2425 1HE LYS B 54 6.086 7.571 7.723 1.00 0.00 H \r\n> ATOM 2426 2HE LYS B 54 6.933 9.103 7.956 1.00 0.00 H \r\n> ATOM 2427 1HZ LYS B 54 4.567 9.403 7.895 1.00 0.00 H \r\n> ATOM 2428 2HZ LYS B 54 5.258 10.167 6.606 1.00 0.00 H \r\n> ATOM 2429 3HZ LYS B 54 4.466 8.736 6.390 1.00 0.00 H \r\n> ATOM 2430 N VAL B 55 10.600 5.200 3.061 1.00 0.00 N \r\n> ATOM 2431 CA VAL B 55 11.078 4.805 1.727 1.00 0.00 C \r\n> ATOM 2432 C VAL B 55 10.576 5.813 0.689 1.00 0.00 C \r\n> ATOM 2433 O VAL B 55 9.364 6.076 0.586 1.00 0.00 O \r\n> ATOM 2434 CB VAL B 55 10.610 3.391 1.338 1.00 0.00 C \r\n> ATOM 2435 CG1 VAL B 55 11.055 3.052 -0.078 1.00 0.00 C \r\n> ATOM 2436 CG2 VAL B 55 11.145 2.362 2.322 1.00 0.00 C \r\n> ATOM 2437 H VAL B 55 9.852 4.675 3.491 1.00 0.00 H \r\n> ATOM 2438 HA VAL B 55 12.167 4.838 1.671 1.00 0.00 H \r\n> ATOM 2439 HB VAL B 55 9.523 3.349 1.396 1.00 0.00 H \r\n> ATOM 2440 1HG1 VAL B 55 10.715 2.050 -0.337 1.00 0.00 H \r\n> ATOM 2441 2HG1 VAL B 55 10.625 3.772 -0.775 1.00 0.00 H \r\n> ATOM 2442 3HG1 VAL B 55 12.142 3.093 -0.137 1.00 0.00 H \r\n> ATOM 2443 1HG2 VAL B 55 10.804 1.368 2.033 1.00 0.00 H \r\n> ATOM 2444 2HG2 VAL B 55 12.235 2.387 2.318 1.00 0.00 H \r\n> ATOM 2445 3HG2 VAL B 55 10.781 2.593 3.324 1.00 0.00 H \r\n> ATOM 2446 N ARG B 56 11.522 6.365 -0.066 1.00 0.00 N \r\n> ATOM 2447 CA ARG B 56 11.236 7.303 -1.164 1.00 0.00 C \r\n2461,2480c2461,2480\r\n< ATOM 2450 CB ARG B 56 11.392 8.748 -0.713 1.00 0.00 C \r\n< ATOM 2451 CG ARG B 56 10.386 9.204 0.332 1.00 0.00 C \r\n< ATOM 2452 CD ARG B 56 9.011 9.278 -0.224 1.00 0.00 C \r\n< ATOM 2453 NE ARG B 56 8.093 9.943 0.687 1.00 0.00 N \r\n< ATOM 2454 CZ ARG B 56 7.389 9.321 1.653 1.00 0.00 C \r\n< ATOM 2455 NH1 ARG B 56 7.509 8.022 1.821 1.00 0.00 N \r\n< ATOM 2456 NH2 ARG B 56 6.579 10.016 2.432 1.00 0.00 N \r\n< ATOM 2457 H ARG B 56 12.483 6.124 0.137 1.00 0.00 H \r\n< ATOM 2458 HA ARG B 56 10.219 7.147 -1.525 1.00 0.00 H \r\n< ATOM 2459 1HB ARG B 56 12.388 8.893 -0.298 1.00 0.00 H \r\n< ATOM 2460 2HB ARG B 56 11.296 9.410 -1.574 1.00 0.00 H \r\n< ATOM 2461 1HG ARG B 56 10.382 8.499 1.164 1.00 0.00 H \r\n< ATOM 2462 2HG ARG B 56 10.663 10.193 0.696 1.00 0.00 H \r\n< ATOM 2463 1HD ARG B 56 9.027 9.837 -1.159 1.00 0.00 H \r\n< ATOM 2464 2HD ARG B 56 8.638 8.272 -0.409 1.00 0.00 H \r\n< ATOM 2465 HE ARG B 56 7.974 10.942 0.589 1.00 0.00 H \r\n< ATOM 2466 1HH1 ARG B 56 8.129 7.491 1.225 1.00 0.00 H \r\n< ATOM 2467 2HH1 ARG B 56 6.982 7.556 2.544 1.00 0.00 H \r\n< ATOM 2468 1HH2 ARG B 56 6.487 11.014 2.303 1.00 0.00 H \r\n< ATOM 2469 2HH2 ARG B 56 6.052 9.550 3.155 1.00 0.00 H \r\n---\r\n> ATOM 2450 CB ARG B 56 11.395 8.747 -0.712 1.00 0.00 C \r\n> ATOM 2451 CG ARG B 56 10.390 9.204 0.334 1.00 0.00 C \r\n> ATOM 2452 CD ARG B 56 9.015 9.281 -0.221 1.00 0.00 C \r\n> ATOM 2453 NE ARG B 56 8.099 9.950 0.688 1.00 0.00 N \r\n> ATOM 2454 CZ ARG B 56 7.390 9.331 1.652 1.00 0.00 C \r\n> ATOM 2455 NH1 ARG B 56 7.502 8.031 1.820 1.00 0.00 N \r\n> ATOM 2456 NH2 ARG B 56 6.582 10.029 2.430 1.00 0.00 N \r\n> ATOM 2457 H ARG B 56 12.481 6.119 0.134 1.00 0.00 H \r\n> ATOM 2458 HA ARG B 56 10.219 7.150 -1.525 1.00 0.00 H \r\n> ATOM 2459 1HB ARG B 56 12.391 8.891 -0.296 1.00 0.00 H \r\n> ATOM 2460 2HB ARG B 56 11.300 9.411 -1.571 1.00 0.00 H \r\n> ATOM 2461 1HG ARG B 56 10.385 8.499 1.166 1.00 0.00 H \r\n> ATOM 2462 2HG ARG B 56 10.668 10.194 0.699 1.00 0.00 H \r\n> ATOM 2463 1HD ARG B 56 9.032 9.837 -1.158 1.00 0.00 H \r\n> ATOM 2464 2HD ARG B 56 8.640 8.274 -0.404 1.00 0.00 H \r\n> ATOM 2465 HE ARG B 56 7.986 10.950 0.590 1.00 0.00 H \r\n> ATOM 2466 1HH1 ARG B 56 8.120 7.497 1.225 1.00 0.00 H \r\n> ATOM 2467 2HH1 ARG B 56 6.971 7.568 2.542 1.00 0.00 H \r\n> ATOM 2468 1HH2 ARG B 56 6.495 11.028 2.302 1.00 0.00 H \r\n> ATOM 2469 2HH2 ARG B 56 6.051 9.566 3.152 1.00 0.00 H \r\n2783,2785c2783,2785\r\n< ATOM 2772 C VAL B 76 14.736 12.563 -3.491 1.00 0.00 C \r\n< ATOM 2773 O VAL B 76 14.651 13.823 -3.486 1.00 0.00 O \r\n< ATOM 2774 CB VAL B 76 16.327 11.800 -1.674 1.00 0.00 C \r\n---\r\n> ATOM 2772 C VAL B 76 14.736 12.563 -3.492 1.00 0.00 C \r\n> ATOM 2773 O VAL B 76 14.649 13.823 -3.484 1.00 0.00 O \r\n> ATOM 2774 CB VAL B 76 16.326 11.801 -1.674 1.00 0.00 C \r\n2787c2787\r\n< ATOM 2776 CG2 VAL B 76 17.762 11.387 -1.388 1.00 0.00 C \r\n---\r\n> ATOM 2776 CG2 VAL B 76 17.762 11.388 -1.387 1.00 0.00 C \r\n2789,2791c2789,2791\r\n< ATOM 2778 HA VAL B 76 16.090 10.930 -3.644 1.00 0.00 H \r\n< ATOM 2779 HB VAL B 76 16.126 12.765 -1.208 1.00 0.00 H \r\n< ATOM 2780 1HG1 VAL B 76 15.515 10.726 -0.001 1.00 0.00 H \r\n---\r\n> ATOM 2778 HA VAL B 76 16.091 10.930 -3.643 1.00 0.00 H \r\n> ATOM 2779 HB VAL B 76 16.125 12.766 -1.208 1.00 0.00 H \r\n> ATOM 2780 1HG1 VAL B 76 15.515 10.727 -0.001 1.00 0.00 H \r\n2793,2922c2793,2922\r\n< ATOM 2782 3HG1 VAL B 76 15.500 9.824 -1.535 1.00 0.00 H \r\n< ATOM 2783 1HG2 VAL B 76 17.909 11.302 -0.312 1.00 0.00 H \r\n< ATOM 2784 2HG2 VAL B 76 17.965 10.425 -1.859 1.00 0.00 H \r\n< ATOM 2785 3HG2 VAL B 76 18.444 12.137 -1.789 1.00 0.00 H \r\n< ATOM 2786 N GLY B 77 13.709 11.764 -3.764 1.00 0.00 N \r\n< ATOM 2787 CA GLY B 77 12.369 12.243 -4.218 1.00 0.00 C \r\n< ATOM 2788 C GLY B 77 11.354 12.014 -3.115 1.00 0.00 C \r\n< ATOM 2789 O GLY B 77 10.443 11.206 -3.283 1.00 0.00 O \r\n< ATOM 2790 H GLY B 77 13.866 10.772 -3.653 1.00 0.00 H \r\n< ATOM 2791 1HA GLY B 77 12.430 13.306 -4.451 1.00 0.00 H \r\n< ATOM 2792 2HA GLY B 77 12.077 11.692 -5.112 1.00 0.00 H \r\n< ATOM 2793 N PRO B 78 11.528 12.703 -1.957 1.00 0.00 N \r\n< ATOM 2794 CA PRO B 78 10.485 12.622 -0.910 1.00 0.00 C \r\n< ATOM 2795 C PRO B 78 9.229 13.380 -1.339 1.00 0.00 C \r\n< ATOM 2796 O PRO B 78 9.037 13.626 -2.552 1.00 0.00 O \r\n< ATOM 2797 CB PRO B 78 11.150 13.278 0.304 1.00 0.00 C \r\n< ATOM 2798 CG PRO B 78 12.066 14.295 -0.286 1.00 0.00 C \r\n< ATOM 2799 CD PRO B 78 12.606 13.637 -1.528 1.00 0.00 C \r\n< ATOM 2800 HA PRO B 78 10.149 11.591 -0.723 1.00 0.00 H \r\n< ATOM 2801 1HB PRO B 78 10.386 13.721 0.959 1.00 0.00 H \r\n< ATOM 2802 2HB PRO B 78 11.681 12.519 0.897 1.00 0.00 H \r\n< ATOM 2803 1HG PRO B 78 11.515 15.222 -0.503 1.00 0.00 H \r\n< ATOM 2804 2HG PRO B 78 12.857 14.556 0.432 1.00 0.00 H \r\n< ATOM 2805 1HD PRO B 78 12.790 14.402 -2.298 1.00 0.00 H \r\n< ATOM 2806 2HD PRO B 78 13.534 13.099 -1.286 1.00 0.00 H \r\n< ATOM 2807 N THR B 79 8.366 13.711 -0.364 1.00 0.00 N \r\n< ATOM 2808 CA THR B 79 7.068 14.351 -0.635 1.00 0.00 C \r\n< ATOM 2809 C THR B 79 6.844 15.730 -0.034 1.00 0.00 C \r\n< ATOM 2810 O THR B 79 5.826 15.995 0.623 1.00 0.00 O \r\n< ATOM 2811 CB THR B 79 5.925 13.436 -0.156 1.00 0.00 C \r\n< ATOM 2812 OG1 THR B 79 6.124 13.102 1.223 1.00 0.00 O \r\n< ATOM 2813 CG2 THR B 79 5.882 12.160 -0.983 1.00 0.00 C \r\n< ATOM 2814 H THR B 79 8.625 13.509 0.591 1.00 0.00 H \r\n< ATOM 2815 HA THR B 79 6.956 14.518 -1.707 1.00 0.00 H \r\n< ATOM 2816 HB THR B 79 4.975 13.959 -0.256 1.00 0.00 H \r\n< ATOM 2817 HG1 THR B 79 5.393 13.444 1.743 1.00 0.00 H \r\n< ATOM 2818 1HG2 THR B 79 5.069 11.526 -0.631 1.00 0.00 H \r\n< ATOM 2819 2HG2 THR B 79 5.720 12.411 -2.031 1.00 0.00 H \r\n< ATOM 2820 3HG2 THR B 79 6.827 11.628 -0.879 1.00 0.00 H \r\n< ATOM 2821 N PRO B 80 7.749 16.655 -0.262 1.00 0.00 N \r\n< ATOM 2822 CA PRO B 80 7.618 18.012 0.177 1.00 0.00 C \r\n< ATOM 2823 C PRO B 80 6.584 18.736 -0.683 1.00 0.00 C \r\n< ATOM 2824 O PRO B 80 6.120 18.153 -1.676 1.00 0.00 O \r\n< ATOM 2825 CB PRO B 80 9.029 18.574 -0.016 1.00 0.00 C \r\n< ATOM 2826 CG PRO B 80 9.585 17.785 -1.152 1.00 0.00 C \r\n< ATOM 2827 CD PRO B 80 9.020 16.403 -0.960 1.00 0.00 C \r\n< ATOM 2828 HA PRO B 80 7.251 18.089 1.211 1.00 0.00 H \r\n< ATOM 2829 1HB PRO B 80 8.979 19.652 -0.229 1.00 0.00 H \r\n< ATOM 2830 2HB PRO B 80 9.611 18.456 0.910 1.00 0.00 H \r\n< ATOM 2831 1HG PRO B 80 9.286 18.236 -2.110 1.00 0.00 H \r\n< ATOM 2832 2HG PRO B 80 10.685 17.801 -1.124 1.00 0.00 H \r\n< ATOM 2833 1HD PRO B 80 8.868 15.929 -1.941 1.00 0.00 H \r\n< ATOM 2834 2HD PRO B 80 9.708 15.807 -0.343 1.00 0.00 H \r\n< ATOM 2835 N VAL B 81 6.195 19.993 -0.422 1.00 0.00 N \r\n< ATOM 2836 CA VAL B 81 5.278 20.716 -1.319 1.00 0.00 C \r\n< ATOM 2837 C VAL B 81 5.849 20.979 -2.696 1.00 0.00 C \r\n< ATOM 2838 O VAL B 81 5.041 20.967 -3.637 1.00 0.00 O \r\n< ATOM 2839 CB VAL B 81 4.886 22.067 -0.692 1.00 0.00 C \r\n< ATOM 2840 CG1 VAL B 81 4.155 22.933 -1.707 1.00 0.00 C \r\n< ATOM 2841 CG2 VAL B 81 4.023 21.835 0.539 1.00 0.00 C \r\n< ATOM 2842 H VAL B 81 6.539 20.456 0.407 1.00 0.00 H \r\n< ATOM 2843 HA VAL B 81 4.380 20.131 -1.523 1.00 0.00 H \r\n< ATOM 2844 HB VAL B 81 5.792 22.601 -0.406 1.00 0.00 H \r\n< ATOM 2845 1HG1 VAL B 81 3.886 23.884 -1.246 1.00 0.00 H \r\n< ATOM 2846 2HG1 VAL B 81 4.804 23.116 -2.563 1.00 0.00 H \r\n< ATOM 2847 3HG1 VAL B 81 3.251 22.422 -2.038 1.00 0.00 H \r\n< ATOM 2848 1HG2 VAL B 81 3.751 22.794 0.978 1.00 0.00 H \r\n< ATOM 2849 2HG2 VAL B 81 3.120 21.295 0.255 1.00 0.00 H \r\n< ATOM 2850 3HG2 VAL B 81 4.582 21.248 1.269 1.00 0.00 H \r\n< ATOM 2851 N ASN B 82 7.139 21.232 -2.857 1.00 0.00 N \r\n< ATOM 2852 CA ASN B 82 7.811 21.537 -4.125 1.00 0.00 C \r\n< ATOM 2853 C ASN B 82 9.270 21.118 -4.024 1.00 0.00 C \r\n< ATOM 2854 O ASN B 82 9.690 20.599 -2.972 1.00 0.00 O \r\n< ATOM 2855 CB ASN B 82 7.690 23.008 -4.476 1.00 0.00 C \r\n< ATOM 2856 CG ASN B 82 7.622 23.245 -5.959 1.00 0.00 C \r\n< ATOM 2857 OD1 ASN B 82 8.439 22.718 -6.723 1.00 0.00 O \r\n< ATOM 2858 ND2 ASN B 82 6.662 24.027 -6.382 1.00 0.00 N \r\n< ATOM 2859 H ASN B 82 7.683 21.205 -2.006 1.00 0.00 H \r\n< ATOM 2860 HA ASN B 82 7.357 20.960 -4.931 1.00 0.00 H \r\n< ATOM 2861 1HB ASN B 82 6.793 23.421 -4.012 1.00 0.00 H \r\n< ATOM 2862 2HB ASN B 82 8.546 23.550 -4.073 1.00 0.00 H \r\n< ATOM 2863 1HD2 ASN B 82 6.567 24.220 -7.359 1.00 0.00 H \r\n< ATOM 2864 2HD2 ASN B 82 6.022 24.432 -5.729 1.00 0.00 H \r\n< ATOM 2865 N ILE B 83 10.041 21.370 -5.095 1.00 0.00 N \r\n< ATOM 2866 CA ILE B 83 11.451 20.981 -5.076 1.00 0.00 C \r\n< ATOM 2867 C ILE B 83 12.308 22.046 -4.387 1.00 0.00 C \r\n< ATOM 2868 O ILE B 83 12.114 23.255 -4.698 1.00 0.00 O \r\n< ATOM 2869 CB ILE B 83 11.975 20.744 -6.505 1.00 0.00 C \r\n< ATOM 2870 CG1 ILE B 83 11.183 19.623 -7.184 1.00 0.00 C \r\n< ATOM 2871 CG2 ILE B 83 13.458 20.411 -6.479 1.00 0.00 C \r\n< ATOM 2872 CD1 ILE B 83 11.440 19.508 -8.669 1.00 0.00 C \r\n< ATOM 2873 H ILE B 83 9.667 21.824 -5.917 1.00 0.00 H \r\n< ATOM 2874 HA ILE B 83 11.593 20.081 -4.478 1.00 0.00 H \r\n< ATOM 2875 HB ILE B 83 11.823 21.643 -7.101 1.00 0.00 H \r\n< ATOM 2876 1HG1 ILE B 83 11.431 18.670 -6.719 1.00 0.00 H \r\n< ATOM 2877 2HG1 ILE B 83 10.116 19.790 -7.036 1.00 0.00 H \r\n< ATOM 2878 1HG2 ILE B 83 13.812 20.246 -7.496 1.00 0.00 H \r\n< ATOM 2879 2HG2 ILE B 83 14.009 21.239 -6.034 1.00 0.00 H \r\n< ATOM 2880 3HG2 ILE B 83 13.619 19.510 -5.888 1.00 0.00 H \r\n< ATOM 2881 1HD1 ILE B 83 10.843 18.693 -9.079 1.00 0.00 H \r\n< ATOM 2882 2HD1 ILE B 83 11.165 20.442 -9.160 1.00 0.00 H \r\n< ATOM 2883 3HD1 ILE B 83 12.496 19.305 -8.840 1.00 0.00 H \r\n< ATOM 2884 N ILE B 84 13.327 21.443 -3.472 1.00 0.00 N \r\n< ATOM 2885 CA ILE B 84 14.254 22.373 -2.842 1.00 0.00 C \r\n< ATOM 2886 C ILE B 84 15.716 22.097 -3.245 1.00 0.00 C \r\n< ATOM 2887 O ILE B 84 16.196 21.007 -3.012 1.00 0.00 O \r\n< ATOM 2888 CB ILE B 84 14.121 22.306 -1.309 1.00 0.00 C \r\n< ATOM 2889 CG1 ILE B 84 12.648 22.384 -0.898 1.00 0.00 C \r\n< ATOM 2890 CG2 ILE B 84 14.919 23.424 -0.657 1.00 0.00 C \r\n< ATOM 2891 CD1 ILE B 84 11.970 23.675 -1.297 1.00 0.00 C \r\n< ATOM 2892 H ILE B 84 13.414 20.587 -3.283 1.00 0.00 H \r\n< ATOM 2893 HA ILE B 84 14.019 23.297 -3.145 1.00 0.00 H \r\n< ATOM 2894 HB ILE B 84 14.497 21.348 -0.953 1.00 0.00 H \r\n< ATOM 2895 1HG1 ILE B 84 12.100 21.557 -1.349 1.00 0.00 H \r\n< ATOM 2896 2HG1 ILE B 84 12.566 22.278 0.184 1.00 0.00 H \r\n< ATOM 2897 1HG2 ILE B 84 14.813 23.363 0.426 1.00 0.00 H \r\n< ATOM 2898 2HG2 ILE B 84 15.970 23.325 -0.924 1.00 0.00 H \r\n< ATOM 2899 3HG2 ILE B 84 14.546 24.388 -1.003 1.00 0.00 H \r\n< ATOM 2900 1HD1 ILE B 84 10.930 23.655 -0.971 1.00 0.00 H \r\n< ATOM 2901 2HD1 ILE B 84 12.482 24.515 -0.827 1.00 0.00 H \r\n< ATOM 2902 3HD1 ILE B 84 12.008 23.786 -2.380 1.00 0.00 H \r\n< ATOM 2903 N GLY B 85 16.330 23.129 -3.871 1.00 0.00 N \r\n< ATOM 2904 CA GLY B 85 17.751 23.043 -4.238 1.00 0.00 C \r\n< ATOM 2905 C GLY B 85 18.605 23.447 -3.047 1.00 0.00 C \r\n< ATOM 2906 O GLY B 85 18.296 24.420 -2.348 1.00 0.00 O \r\n< ATOM 2907 H GLY B 85 15.815 23.969 -4.092 1.00 0.00 H \r\n< ATOM 2908 1HA GLY B 85 17.983 22.019 -4.531 1.00 0.00 H \r\n< ATOM 2909 2HA GLY B 85 17.944 23.711 -5.076 1.00 0.00 H \r\n< ATOM 2910 N ARG B 86 19.670 22.685 -2.800 1.00 0.00 N \r\n< ATOM 2911 CA ARG B 86 20.445 22.810 -1.571 1.00 0.00 C \r\n---\r\n> ATOM 2782 3HG1 VAL B 76 15.500 9.824 -1.534 1.00 0.00 H \r\n> ATOM 2783 1HG2 VAL B 76 17.908 11.303 -0.311 1.00 0.00 H \r\n> ATOM 2784 2HG2 VAL B 76 17.965 10.425 -1.858 1.00 0.00 H \r\n> ATOM 2785 3HG2 VAL B 76 18.444 12.138 -1.788 1.00 0.00 H \r\n> ATOM 2786 N GLY B 77 13.710 11.763 -3.769 1.00 0.00 N \r\n> ATOM 2787 CA GLY B 77 12.370 12.243 -4.220 1.00 0.00 C \r\n> ATOM 2788 C GLY B 77 11.355 12.010 -3.116 1.00 0.00 C \r\n> ATOM 2789 O GLY B 77 10.449 11.197 -3.283 1.00 0.00 O \r\n> ATOM 2790 H GLY B 77 13.868 10.771 -3.663 1.00 0.00 H \r\n> ATOM 2791 1HA GLY B 77 12.430 13.306 -4.450 1.00 0.00 H \r\n> ATOM 2792 2HA GLY B 77 12.077 11.694 -5.115 1.00 0.00 H \r\n> ATOM 2793 N PRO B 78 11.526 12.702 -1.959 1.00 0.00 N \r\n> ATOM 2794 CA PRO B 78 10.483 12.620 -0.914 1.00 0.00 C \r\n> ATOM 2795 C PRO B 78 9.227 13.380 -1.341 1.00 0.00 C \r\n> ATOM 2796 O PRO B 78 9.038 13.631 -2.553 1.00 0.00 O \r\n> ATOM 2797 CB PRO B 78 11.148 13.272 0.303 1.00 0.00 C \r\n> ATOM 2798 CG PRO B 78 12.063 14.292 -0.284 1.00 0.00 C \r\n> ATOM 2799 CD PRO B 78 12.600 13.641 -1.531 1.00 0.00 C \r\n> ATOM 2800 HA PRO B 78 10.145 11.589 -0.729 1.00 0.00 H \r\n> ATOM 2801 1HB PRO B 78 10.383 13.712 0.959 1.00 0.00 H \r\n> ATOM 2802 2HB PRO B 78 11.680 12.511 0.893 1.00 0.00 H \r\n> ATOM 2803 1HG PRO B 78 11.511 15.220 -0.496 1.00 0.00 H \r\n> ATOM 2804 2HG PRO B 78 12.855 14.550 0.434 1.00 0.00 H \r\n> ATOM 2805 1HD PRO B 78 12.778 14.408 -2.298 1.00 0.00 H \r\n> ATOM 2806 2HD PRO B 78 13.531 13.106 -1.293 1.00 0.00 H \r\n> ATOM 2807 N THR B 79 8.363 13.707 -0.366 1.00 0.00 N \r\n> ATOM 2808 CA THR B 79 7.068 14.353 -0.636 1.00 0.00 C \r\n> ATOM 2809 C THR B 79 6.851 15.734 -0.039 1.00 0.00 C \r\n> ATOM 2810 O THR B 79 5.843 16.000 0.634 1.00 0.00 O \r\n> ATOM 2811 CB THR B 79 5.922 13.444 -0.152 1.00 0.00 C \r\n> ATOM 2812 OG1 THR B 79 6.123 13.112 1.228 1.00 0.00 O \r\n> ATOM 2813 CG2 THR B 79 5.871 12.167 -0.976 1.00 0.00 C \r\n> ATOM 2814 H THR B 79 8.620 13.500 0.588 1.00 0.00 H \r\n> ATOM 2815 HA THR B 79 6.954 14.517 -1.708 1.00 0.00 H \r\n> ATOM 2816 HB THR B 79 4.973 13.972 -0.250 1.00 0.00 H \r\n> ATOM 2817 HG1 THR B 79 5.383 13.438 1.746 1.00 0.00 H \r\n> ATOM 2818 1HG2 THR B 79 5.055 11.537 -0.620 1.00 0.00 H \r\n> ATOM 2819 2HG2 THR B 79 5.707 12.416 -2.024 1.00 0.00 H \r\n> ATOM 2820 3HG2 THR B 79 6.813 11.630 -0.874 1.00 0.00 H \r\n> ATOM 2821 N PRO B 80 7.751 16.660 -0.286 1.00 0.00 N \r\n> ATOM 2822 CA PRO B 80 7.627 18.017 0.153 1.00 0.00 C \r\n> ATOM 2823 C PRO B 80 6.573 18.738 -0.686 1.00 0.00 C \r\n> ATOM 2824 O PRO B 80 6.074 18.145 -1.655 1.00 0.00 O \r\n> ATOM 2825 CB PRO B 80 9.033 18.581 -0.071 1.00 0.00 C \r\n> ATOM 2826 CG PRO B 80 9.567 17.788 -1.215 1.00 0.00 C \r\n> ATOM 2827 CD PRO B 80 9.008 16.406 -1.005 1.00 0.00 C \r\n> ATOM 2828 HA PRO B 80 7.282 18.096 1.195 1.00 0.00 H \r\n> ATOM 2829 1HB PRO B 80 8.976 19.658 -0.288 1.00 0.00 H \r\n> ATOM 2830 2HB PRO B 80 9.634 18.469 0.843 1.00 0.00 H \r\n> ATOM 2831 1HG PRO B 80 9.247 18.234 -2.168 1.00 0.00 H \r\n> ATOM 2832 2HG PRO B 80 10.667 17.805 -1.209 1.00 0.00 H \r\n> ATOM 2833 1HD PRO B 80 8.838 15.927 -1.981 1.00 0.00 H \r\n> ATOM 2834 2HD PRO B 80 9.709 15.814 -0.399 1.00 0.00 H \r\n> ATOM 2835 N VAL B 81 6.205 20.003 -0.433 1.00 0.00 N \r\n> ATOM 2836 CA VAL B 81 5.291 20.731 -1.329 1.00 0.00 C \r\n> ATOM 2837 C VAL B 81 5.854 20.973 -2.713 1.00 0.00 C \r\n> ATOM 2838 O VAL B 81 5.040 20.947 -3.649 1.00 0.00 O \r\n> ATOM 2839 CB VAL B 81 4.925 22.094 -0.711 1.00 0.00 C \r\n> ATOM 2840 CG1 VAL B 81 4.269 22.991 -1.750 1.00 0.00 C \r\n> ATOM 2841 CG2 VAL B 81 4.005 21.890 0.484 1.00 0.00 C \r\n> ATOM 2842 H VAL B 81 6.562 20.468 0.390 1.00 0.00 H \r\n> ATOM 2843 HA VAL B 81 4.383 20.158 -1.519 1.00 0.00 H \r\n> ATOM 2844 HB VAL B 81 5.838 22.592 -0.387 1.00 0.00 H \r\n> ATOM 2845 1HG1 VAL B 81 4.017 23.950 -1.296 1.00 0.00 H \r\n> ATOM 2846 2HG1 VAL B 81 4.958 23.152 -2.579 1.00 0.00 H \r\n> ATOM 2847 3HG1 VAL B 81 3.360 22.515 -2.119 1.00 0.00 H \r\n> ATOM 2848 1HG2 VAL B 81 3.751 22.858 0.916 1.00 0.00 H \r\n> ATOM 2849 2HG2 VAL B 81 3.094 21.386 0.160 1.00 0.00 H \r\n> ATOM 2850 3HG2 VAL B 81 4.511 21.280 1.232 1.00 0.00 H \r\n> ATOM 2851 N ASN B 82 7.143 21.222 -2.885 1.00 0.00 N \r\n> ATOM 2852 CA ASN B 82 7.812 21.481 -4.165 1.00 0.00 C \r\n> ATOM 2853 C ASN B 82 9.283 21.114 -4.037 1.00 0.00 C \r\n> ATOM 2854 O ASN B 82 9.706 20.632 -2.969 1.00 0.00 O \r\n> ATOM 2855 CB ASN B 82 7.647 22.927 -4.594 1.00 0.00 C \r\n> ATOM 2856 CG ASN B 82 7.576 23.083 -6.088 1.00 0.00 C \r\n> ATOM 2857 OD1 ASN B 82 8.516 22.724 -6.807 1.00 0.00 O \r\n> ATOM 2858 ND2 ASN B 82 6.480 23.611 -6.568 1.00 0.00 N \r\n> ATOM 2859 H ASN B 82 7.688 21.228 -2.035 1.00 0.00 H \r\n> ATOM 2860 HA ASN B 82 7.381 20.848 -4.942 1.00 0.00 H \r\n> ATOM 2861 1HB ASN B 82 6.736 23.336 -4.154 1.00 0.00 H \r\n> ATOM 2862 2HB ASN B 82 8.484 23.516 -4.218 1.00 0.00 H \r\n> ATOM 2863 1HD2 ASN B 82 6.377 23.738 -7.555 1.00 0.00 H \r\n> ATOM 2864 2HD2 ASN B 82 5.745 23.886 -5.950 1.00 0.00 H \r\n> ATOM 2865 N ILE B 83 10.059 21.371 -5.103 1.00 0.00 N \r\n> ATOM 2866 CA ILE B 83 11.472 20.991 -5.074 1.00 0.00 C \r\n> ATOM 2867 C ILE B 83 12.316 22.060 -4.376 1.00 0.00 C \r\n> ATOM 2868 O ILE B 83 12.120 23.268 -4.688 1.00 0.00 O \r\n> ATOM 2869 CB ILE B 83 12.008 20.761 -6.499 1.00 0.00 C \r\n> ATOM 2870 CG1 ILE B 83 11.223 19.643 -7.191 1.00 0.00 C \r\n> ATOM 2871 CG2 ILE B 83 13.492 20.429 -6.462 1.00 0.00 C \r\n> ATOM 2872 CD1 ILE B 83 11.495 19.533 -8.674 1.00 0.00 C \r\n> ATOM 2873 H ILE B 83 9.688 21.821 -5.927 1.00 0.00 H \r\n> ATOM 2874 HA ILE B 83 11.615 20.090 -4.478 1.00 0.00 H \r\n> ATOM 2875 HB ILE B 83 11.861 21.663 -7.093 1.00 0.00 H \r\n> ATOM 2876 1HG1 ILE B 83 11.465 18.688 -6.727 1.00 0.00 H \r\n> ATOM 2877 2HG1 ILE B 83 10.154 19.810 -7.053 1.00 0.00 H \r\n> ATOM 2878 1HG2 ILE B 83 13.854 20.269 -7.478 1.00 0.00 H \r\n> ATOM 2879 2HG2 ILE B 83 14.038 21.255 -6.008 1.00 0.00 H \r\n> ATOM 2880 3HG2 ILE B 83 13.648 19.525 -5.874 1.00 0.00 H \r\n> ATOM 2881 1HD1 ILE B 83 10.903 18.720 -9.093 1.00 0.00 H \r\n> ATOM 2882 2HD1 ILE B 83 11.225 20.469 -9.164 1.00 0.00 H \r\n> ATOM 2883 3HD1 ILE B 83 12.553 19.331 -8.835 1.00 0.00 H \r\n> ATOM 2884 N ILE B 84 13.319 21.440 -3.457 1.00 0.00 N \r\n> ATOM 2885 CA ILE B 84 14.249 22.377 -2.841 1.00 0.00 C \r\n> ATOM 2886 C ILE B 84 15.709 22.097 -3.247 1.00 0.00 C \r\n> ATOM 2887 O ILE B 84 16.185 21.005 -3.016 1.00 0.00 O \r\n> ATOM 2888 CB ILE B 84 14.121 22.328 -1.307 1.00 0.00 C \r\n> ATOM 2889 CG1 ILE B 84 12.650 22.403 -0.891 1.00 0.00 C \r\n> ATOM 2890 CG2 ILE B 84 14.916 23.458 -0.671 1.00 0.00 C \r\n> ATOM 2891 CD1 ILE B 84 11.966 23.690 -1.293 1.00 0.00 C \r\n> ATOM 2892 H ILE B 84 13.413 20.585 -3.266 1.00 0.00 H \r\n> ATOM 2893 HA ILE B 84 14.012 23.298 -3.154 1.00 0.00 H \r\n> ATOM 2894 HB ILE B 84 14.504 21.376 -0.941 1.00 0.00 H \r\n> ATOM 2895 1HG1 ILE B 84 12.103 21.573 -1.337 1.00 0.00 H \r\n> ATOM 2896 2HG1 ILE B 84 12.572 22.300 0.191 1.00 0.00 H \r\n> ATOM 2897 1HG2 ILE B 84 14.814 23.408 0.413 1.00 0.00 H \r\n> ATOM 2898 2HG2 ILE B 84 15.966 23.361 -0.942 1.00 0.00 H \r\n> ATOM 2899 3HG2 ILE B 84 14.536 24.415 -1.028 1.00 0.00 H \r\n> ATOM 2900 1HD1 ILE B 84 10.927 23.669 -0.963 1.00 0.00 H \r\n> ATOM 2901 2HD1 ILE B 84 12.477 24.534 -0.828 1.00 0.00 H \r\n> ATOM 2902 3HD1 ILE B 84 12.000 23.797 -2.376 1.00 0.00 H \r\n> ATOM 2903 N GLY B 85 16.325 23.128 -3.873 1.00 0.00 N \r\n> ATOM 2904 CA GLY B 85 17.747 23.040 -4.236 1.00 0.00 C \r\n> ATOM 2905 C GLY B 85 18.598 23.449 -3.044 1.00 0.00 C \r\n> ATOM 2906 O GLY B 85 18.281 24.418 -2.344 1.00 0.00 O \r\n> ATOM 2907 H GLY B 85 15.811 23.967 -4.098 1.00 0.00 H \r\n> ATOM 2908 1HA GLY B 85 17.980 22.015 -4.525 1.00 0.00 H \r\n> ATOM 2909 2HA GLY B 85 17.942 23.705 -5.077 1.00 0.00 H \r\n> ATOM 2910 N ARG B 86 19.670 22.695 -2.800 1.00 0.00 N \r\n> ATOM 2911 CA ARG B 86 20.445 22.826 -1.572 1.00 0.00 C \r\n2924,2944c2924,2944\r\n< ATOM 2913 O ARG B 86 22.463 22.687 -2.921 1.00 0.00 O \r\n< ATOM 2914 CB ARG B 86 20.052 21.712 -0.593 1.00 0.00 C \r\n< ATOM 2915 CG ARG B 86 18.708 21.913 0.089 1.00 0.00 C \r\n< ATOM 2916 CD ARG B 86 18.248 20.677 0.771 1.00 0.00 C \r\n< ATOM 2917 NE ARG B 86 17.143 20.938 1.680 1.00 0.00 N \r\n< ATOM 2918 CZ ARG B 86 16.689 20.067 2.602 1.00 0.00 C \r\n< ATOM 2919 NH1 ARG B 86 17.254 18.886 2.726 1.00 0.00 N \r\n< ATOM 2920 NH2 ARG B 86 15.676 20.400 3.383 1.00 0.00 N \r\n< ATOM 2921 H ARG B 86 19.946 21.999 -3.487 1.00 0.00 H \r\n< ATOM 2922 HA ARG B 86 20.258 23.783 -1.115 1.00 0.00 H \r\n< ATOM 2923 1HB ARG B 86 20.018 20.757 -1.114 1.00 0.00 H \r\n< ATOM 2924 2HB ARG B 86 20.809 21.633 0.188 1.00 0.00 H \r\n< ATOM 2925 1HG ARG B 86 18.793 22.705 0.834 1.00 0.00 H \r\n< ATOM 2926 2HG ARG B 86 17.961 22.193 -0.654 1.00 0.00 H \r\n< ATOM 2927 1HD ARG B 86 17.914 19.954 0.028 1.00 0.00 H \r\n< ATOM 2928 2HD ARG B 86 19.069 20.252 1.347 1.00 0.00 H \r\n< ATOM 2929 HE ARG B 86 16.684 21.837 1.615 1.00 0.00 H \r\n< ATOM 2930 1HH1 ARG B 86 18.028 18.632 2.129 1.00 0.00 H \r\n< ATOM 2931 2HH1 ARG B 86 16.913 18.234 3.417 1.00 0.00 H \r\n< ATOM 2932 1HH2 ARG B 86 15.242 21.308 3.288 1.00 0.00 H \r\n< ATOM 2933 2HH2 ARG B 86 15.336 19.748 4.074 1.00 0.00 H \r\n---\r\n> ATOM 2913 O ARG B 86 22.463 22.674 -2.920 1.00 0.00 O \r\n> ATOM 2914 CB ARG B 86 20.043 21.742 -0.582 1.00 0.00 C \r\n> ATOM 2915 CG ARG B 86 18.676 21.935 0.056 1.00 0.00 C \r\n> ATOM 2916 CD ARG B 86 18.220 20.708 0.757 1.00 0.00 C \r\n> ATOM 2917 NE ARG B 86 17.081 20.970 1.623 1.00 0.00 N \r\n> ATOM 2918 CZ ARG B 86 16.588 20.097 2.523 1.00 0.00 C \r\n> ATOM 2919 NH1 ARG B 86 17.143 18.913 2.663 1.00 0.00 N \r\n> ATOM 2920 NH2 ARG B 86 15.547 20.430 3.266 1.00 0.00 N \r\n> ATOM 2921 H ARG B 86 19.951 22.012 -3.488 1.00 0.00 H \r\n> ATOM 2922 HA ARG B 86 20.268 23.805 -1.126 1.00 0.00 H \r\n> ATOM 2923 1HB ARG B 86 20.039 20.776 -1.084 1.00 0.00 H \r\n> ATOM 2924 2HB ARG B 86 20.778 21.691 0.221 1.00 0.00 H \r\n> ATOM 2925 1HG ARG B 86 18.725 22.747 0.783 1.00 0.00 H \r\n> ATOM 2926 2HG ARG B 86 17.946 22.182 -0.715 1.00 0.00 H \r\n> ATOM 2927 1HD ARG B 86 17.924 19.958 0.023 1.00 0.00 H \r\n> ATOM 2928 2HD ARG B 86 19.031 20.316 1.370 1.00 0.00 H \r\n> ATOM 2929 HE ARG B 86 16.628 21.870 1.545 1.00 0.00 H \r\n> ATOM 2930 1HH1 ARG B 86 17.939 18.658 2.096 1.00 0.00 H \r\n> ATOM 2931 2HH1 ARG B 86 16.773 18.259 3.338 1.00 0.00 H \r\n> ATOM 2932 1HH2 ARG B 86 15.120 21.341 3.158 1.00 0.00 H \r\n> ATOM 2933 2HH2 ARG B 86 15.177 19.777 3.940 1.00 0.00 H \r\n3148,3246c3148,3246\r\n< HETATM 3137 N58 Rit X 1 8.096 22.660 5.201 1.00 0.00 N \r\n< HETATM 3138 C15 Rit X 1 7.761 22.244 3.857 1.00 0.00 C \r\n< HETATM 3139 C14 Rit X 1 6.268 22.465 3.480 1.00 0.00 C \r\n< HETATM 3140 C13 Rit X 1 5.657 23.846 3.586 1.00 0.00 C \r\n< HETATM 3141 C12 Rit X 1 6.343 24.883 2.693 1.00 0.00 C \r\n< HETATM 3142 N11 Rit X 1 5.902 24.906 1.285 1.00 0.00 N \r\n< HETATM 3143 C10 Rit X 1 6.707 25.234 0.245 1.00 0.00 C \r\n< HETATM 3144 O7 Rit X 1 6.006 25.243 -0.967 1.00 0.00 O \r\n< HETATM 3145 C6 Rit X 1 6.454 25.878 -2.153 1.00 0.00 C \r\n< HETATM 3146 C2 Rit X 1 5.330 26.231 -2.974 1.00 0.00 C \r\n< HETATM 3147 C1 Rit X 1 4.543 25.666 -3.942 1.00 0.00 C \r\n< HETATM 3148 N5 Rit X 1 3.561 26.395 -4.329 1.00 0.00 N \r\n< HETATM 3149 C4 Rit X 1 3.646 27.529 -3.727 1.00 0.00 C \r\n< HETATM 3150 S3 Rit X 1 4.956 27.932 -2.587 1.00 0.00 S \r\n< HETATM 3151 O24 Rit X 1 7.916 25.482 0.325 1.00 0.00 O \r\n< HETATM 3152 C26 Rit X 1 6.593 26.225 3.386 1.00 0.00 C \r\n< HETATM 3153 C28 Rit X 1 7.058 27.367 2.631 1.00 0.00 C \r\n< HETATM 3154 C31 Rit X 1 8.445 27.481 2.780 1.00 0.00 C \r\n< HETATM 3155 C32 Rit X 1 9.116 28.442 2.010 1.00 0.00 C \r\n< HETATM 3156 C33 Rit X 1 8.438 29.277 1.103 1.00 0.00 C \r\n< HETATM 3157 C34 Rit X 1 7.035 29.161 0.985 1.00 0.00 C \r\n< HETATM 3158 C35 Rit X 1 6.348 28.209 1.746 1.00 0.00 C \r\n< HETATM 3159 O41 Rit X 1 4.323 23.808 3.106 1.00 0.00 O \r\n< HETATM 3160 C44 Rit X 1 8.038 20.780 3.689 1.00 0.00 C \r\n< HETATM 3161 C45 Rit X 1 9.464 20.635 3.474 1.00 0.00 C \r\n< HETATM 3162 C48 Rit X 1 10.249 20.292 4.588 1.00 0.00 C \r\n< HETATM 3163 C49 Rit X 1 11.636 20.086 4.456 1.00 0.00 C \r\n< HETATM 3164 C50 Rit X 1 12.209 20.215 3.187 1.00 0.00 C \r\n< HETATM 3165 C51 Rit X 1 11.431 20.549 2.083 1.00 0.00 C \r\n< HETATM 3166 C52 Rit X 1 10.056 20.763 2.213 1.00 0.00 C \r\n< HETATM 3167 C18 Rit X 1 8.953 23.648 5.490 1.00 0.00 C \r\n< HETATM 3168 C19 Rit X 1 9.150 23.867 7.001 1.00 0.00 C \r\n< HETATM 3169 N20 Rit X 1 9.800 22.716 7.627 1.00 0.00 N \r\n< HETATM 3170 C21 Rit X 1 9.070 21.852 8.352 1.00 0.00 C \r\n< HETATM 3171 N74 Rit X 1 9.724 20.711 8.666 1.00 0.00 N \r\n< HETATM 3172 C75 Rit X 1 9.105 19.743 9.572 1.00 0.00 C \r\n< HETATM 3173 C77 Rit X 1 8.120 18.827 8.986 1.00 0.00 C \r\n< HETATM 3174 C80 Rit X 1 6.811 19.222 8.999 1.00 0.00 C \r\n< HETATM 3175 S81 Rit X 1 5.907 17.926 8.171 1.00 0.00 S \r\n< HETATM 3176 C82 Rit X 1 7.435 17.110 7.833 1.00 0.00 C \r\n< HETATM 3177 N83 Rit X 1 8.422 17.679 8.457 1.00 0.00 N \r\n< HETATM 3178 C85 Rit X 1 7.172 16.055 6.974 1.00 0.00 C \r\n< HETATM 3179 C86 Rit X 1 6.227 14.873 7.144 1.00 0.00 C \r\n< HETATM 3180 C90 Rit X 1 8.454 15.426 6.611 1.00 0.00 C \r\n< HETATM 3181 C95 Rit X 1 10.916 20.298 8.261 1.00 0.00 C \r\n< HETATM 3182 O76 Rit X 1 7.963 22.186 8.822 1.00 0.00 O \r\n< HETATM 3183 C62 Rit X 1 9.904 25.165 7.434 1.00 0.00 C \r\n< HETATM 3184 C64 Rit X 1 9.450 26.491 6.766 1.00 0.00 C \r\n< HETATM 3185 C68 Rit X 1 10.021 25.294 8.969 1.00 0.00 C \r\n< HETATM 3186 O61 Rit X 1 9.593 24.266 4.614 1.00 0.00 O \r\n< HETATM 3187 H58 Rit X 1 7.643 22.161 5.993 1.00 0.00 H \r\n< HETATM 3188 H15 Rit X 1 8.389 22.875 3.194 1.00 0.00 H \r\n< HETATM 3189 1H14 Rit X 1 6.154 22.144 2.423 1.00 0.00 H \r\n< HETATM 3190 2H14 Rit X 1 5.721 21.884 4.250 1.00 0.00 H \r\n< HETATM 3191 H13 Rit X 1 5.754 24.128 4.655 1.00 0.00 H \r\n< HETATM 3192 H12 Rit X 1 7.376 24.505 2.548 1.00 0.00 H \r\n< HETATM 3193 H11 Rit X 1 4.914 24.655 1.078 1.00 0.00 H \r\n< HETATM 3194 1H6 Rit X 1 7.019 26.796 -1.888 1.00 0.00 H \r\n< HETATM 3195 2H6 Rit X 1 7.111 25.180 -2.714 1.00 0.00 H \r\n< HETATM 3196 H1 Rit X 1 4.740 24.656 -4.358 1.00 0.00 H \r\n< HETATM 3197 1H4 Rit X 1 3.692 28.296 -4.528 1.00 0.00 H \r\n< HETATM 3198 2H4 Rit X 1 2.770 27.482 -3.048 1.00 0.00 H \r\n< HETATM 3199 H26 Rit X 1 6.416 26.322 4.478 1.00 0.00 H \r\n< HETATM 3200 H31 Rit X 1 8.998 26.830 3.488 1.00 0.00 H \r\n< HETATM 3201 H32 Rit X 1 10.215 28.548 2.119 1.00 0.00 H \r\n< HETATM 3202 H33 Rit X 1 8.996 30.015 0.490 1.00 0.00 H \r\n< HETATM 3203 H34 Rit X 1 6.480 29.823 0.288 1.00 0.00 H \r\n< HETATM 3204 H35 Rit X 1 5.245 28.117 1.656 1.00 0.00 H \r\n< HETATM 3205 H41 Rit X 1 4.040 24.696 2.877 1.00 0.00 H \r\n< HETATM 3206 1H44 Rit X 1 7.479 20.386 2.816 1.00 0.00 H \r\n< HETATM 3207 2H44 Rit X 1 7.715 20.213 4.588 1.00 0.00 H \r\n< HETATM 3208 H48 Rit X 1 9.770 20.179 5.583 1.00 0.00 H \r\n< HETATM 3209 H49 Rit X 1 12.259 19.830 5.338 1.00 0.00 H \r\n< HETATM 3210 H50 Rit X 1 13.298 20.046 3.059 1.00 0.00 H \r\n< HETATM 3211 H51 Rit X 1 11.908 20.647 1.085 1.00 0.00 H \r\n< HETATM 3212 H52 Rit X 1 9.442 21.032 1.329 1.00 0.00 H \r\n< HETATM 3213 H19 Rit X 1 8.108 23.995 7.363 1.00 0.00 H \r\n< HETATM 3214 H20 Rit X 1 10.823 22.565 7.511 1.00 0.00 H \r\n< HETATM 3215 1H75 Rit X 1 8.596 20.313 10.377 1.00 0.00 H \r\n< HETATM 3216 2H75 Rit X 1 9.936 19.094 9.918 1.00 0.00 H \r\n< HETATM 3217 1H80 Rit X 1 6.692 20.183 8.457 1.00 0.00 H \r\n< HETATM 3218 2H80 Rit X 1 6.443 19.381 10.033 1.00 0.00 H \r\n< HETATM 3219 H85 Rit X 1 6.555 16.677 6.291 1.00 0.00 H \r\n< HETATM 3220 1H86 Rit X 1 5.189 15.192 6.916 1.00 0.00 H \r\n< HETATM 3221 2H86 Rit X 1 6.280 14.506 8.190 1.00 0.00 H \r\n< HETATM 3222 3H86 Rit X 1 6.525 14.058 6.451 1.00 0.00 H \r\n< HETATM 3223 1H90 Rit X 1 8.327 14.325 6.566 1.00 0.00 H \r\n< HETATM 3224 2H90 Rit X 1 9.220 15.679 7.376 1.00 0.00 H \r\n< HETATM 3225 3H90 Rit X 1 8.783 15.802 5.619 1.00 0.00 H \r\n< HETATM 3226 1H95 Rit X 1 11.033 19.219 8.492 1.00 0.00 H \r\n< HETATM 3227 2H95 Rit X 1 11.705 20.875 8.786 1.00 0.00 H \r\n< HETATM 3228 3H95 Rit X 1 11.009 20.454 7.166 1.00 0.00 H \r\n< HETATM 3229 H62 Rit X 1 10.920 25.009 7.017 1.00 0.00 H \r\n< HETATM 3230 1H64 Rit X 1 10.211 27.278 6.952 1.00 0.00 H \r\n< HETATM 3231 2H64 Rit X 1 8.477 26.809 7.197 1.00 0.00 H \r\n< HETATM 3232 3H64 Rit X 1 9.339 26.336 5.673 1.00 0.00 H \r\n< HETATM 3233 1H68 Rit X 1 9.468 24.463 9.454 1.00 0.00 H \r\n< HETATM 3234 2H68 Rit X 1 9.589 26.264 9.293 1.00 0.00 H \r\n< HETATM 3235 3H68 Rit X 1 11.091 25.248 9.263 1.00 0.00 H \r\n---\r\n> HETATM 3137 N58 Rit X 1 7.999 22.782 4.834 1.00 0.00 N \r\n> HETATM 3138 C15 Rit X 1 7.755 22.444 3.449 1.00 0.00 C \r\n> HETATM 3139 C14 Rit X 1 6.329 22.813 2.949 1.00 0.00 C \r\n> HETATM 3140 C13 Rit X 1 5.834 24.239 3.058 1.00 0.00 C \r\n> HETATM 3141 C12 Rit X 1 6.688 25.240 2.275 1.00 0.00 C \r\n> HETATM 3142 N11 Rit X 1 6.384 25.350 0.834 1.00 0.00 N \r\n> HETATM 3143 C10 Rit X 1 7.308 25.638 -0.114 1.00 0.00 C \r\n> HETATM 3144 O7 Rit X 1 6.726 25.752 -1.382 1.00 0.00 O \r\n> HETATM 3145 C6 Rit X 1 7.335 26.384 -2.496 1.00 0.00 C \r\n> HETATM 3146 C2 Rit X 1 6.328 26.865 -3.399 1.00 0.00 C \r\n> HETATM 3147 C1 Rit X 1 5.589 26.407 -4.456 1.00 0.00 C \r\n> HETATM 3148 N5 Rit X 1 4.715 27.235 -4.899 1.00 0.00 N \r\n> HETATM 3149 C4 Rit X 1 4.842 28.335 -4.244 1.00 0.00 C \r\n> HETATM 3150 S3 Rit X 1 6.070 28.579 -2.975 1.00 0.00 S \r\n> HETATM 3151 O24 Rit X 1 8.520 25.773 0.085 1.00 0.00 O \r\n> HETATM 3152 C26 Rit X 1 6.988 26.528 3.043 1.00 0.00 C \r\n> HETATM 3153 C28 Rit X 1 7.619 27.649 2.382 1.00 0.00 C \r\n> HETATM 3154 C31 Rit X 1 8.991 27.631 2.659 1.00 0.00 C \r\n> HETATM 3155 C32 Rit X 1 9.812 28.553 1.993 1.00 0.00 C \r\n> HETATM 3156 C33 Rit X 1 9.297 29.476 1.065 1.00 0.00 C \r\n> HETATM 3157 C34 Rit X 1 7.906 29.492 0.817 1.00 0.00 C \r\n> HETATM 3158 C35 Rit X 1 7.071 28.581 1.473 1.00 0.00 C \r\n> HETATM 3159 O41 Rit X 1 4.552 24.338 2.459 1.00 0.00 O \r\n> HETATM 3160 C44 Rit X 1 7.917 20.968 3.245 1.00 0.00 C \r\n> HETATM 3161 C45 Rit X 1 9.340 20.701 3.153 1.00 0.00 C \r\n> HETATM 3162 C48 Rit X 1 9.984 20.250 4.318 1.00 0.00 C \r\n> HETATM 3163 C49 Rit X 1 11.354 19.925 4.301 1.00 0.00 C \r\n> HETATM 3164 C50 Rit X 1 12.052 20.044 3.096 1.00 0.00 C \r\n> HETATM 3165 C51 Rit X 1 11.413 20.485 1.941 1.00 0.00 C \r\n> HETATM 3166 C52 Rit X 1 10.056 20.818 1.957 1.00 0.00 C \r\n> HETATM 3167 C18 Rit X 1 8.908 23.678 5.240 1.00 0.00 C \r\n> HETATM 3168 C19 Rit X 1 8.982 23.827 6.771 1.00 0.00 C \r\n> HETATM 3169 N20 Rit X 1 9.467 22.601 7.403 1.00 0.00 N \r\n> HETATM 3170 C21 Rit X 1 8.600 21.783 8.022 1.00 0.00 C \r\n> HETATM 3171 N74 Rit X 1 9.120 20.577 8.345 1.00 0.00 N \r\n> HETATM 3172 C75 Rit X 1 8.338 19.639 9.151 1.00 0.00 C \r\n> HETATM 3173 C77 Rit X 1 7.335 18.837 8.441 1.00 0.00 C \r\n> HETATM 3174 C80 Rit X 1 6.070 19.348 8.353 1.00 0.00 C \r\n> HETATM 3175 S81 Rit X 1 5.137 18.169 7.394 1.00 0.00 S \r\n> HETATM 3176 C82 Rit X 1 6.613 17.229 7.159 1.00 0.00 C \r\n> HETATM 3177 N83 Rit X 1 7.584 17.685 7.893 1.00 0.00 N \r\n> HETATM 3178 C85 Rit X 1 6.341 16.233 6.237 1.00 0.00 C \r\n> HETATM 3179 C86 Rit X 1 5.284 15.136 6.271 1.00 0.00 C \r\n> HETATM 3180 C90 Rit X 1 7.590 15.502 5.965 1.00 0.00 C \r\n> HETATM 3181 C95 Rit X 1 10.304 20.072 8.033 1.00 0.00 C \r\n> HETATM 3182 O76 Rit X 1 7.488 22.200 8.406 1.00 0.00 O \r\n> HETATM 3183 C62 Rit X 1 9.802 25.036 7.323 1.00 0.00 C \r\n> HETATM 3184 C64 Rit X 1 9.530 26.420 6.674 1.00 0.00 C \r\n> HETATM 3185 C68 Rit X 1 9.787 25.101 8.867 1.00 0.00 C \r\n> HETATM 3186 O61 Rit X 1 9.679 24.264 4.452 1.00 0.00 O \r\n> HETATM 3187 H58 Rit X 1 7.432 22.300 5.560 1.00 0.00 H \r\n> HETATM 3188 H15 Rit X 1 8.495 23.038 2.872 1.00 0.00 H \r\n> HETATM 3189 1H14 Rit X 1 6.286 22.540 1.873 1.00 0.00 H \r\n> HETATM 3190 2H14 Rit X 1 5.664 22.258 3.642 1.00 0.00 H \r\n> HETATM 3191 H13 Rit X 1 5.855 24.475 4.142 1.00 0.00 H \r\n> HETATM 3192 H12 Rit X 1 7.693 24.774 2.207 1.00 0.00 H \r\n> HETATM 3193 H11 Rit X 1 5.401 25.196 0.530 1.00 0.00 H \r\n> HETATM 3194 1H6 Rit X 1 7.951 27.237 -2.143 1.00 0.00 H \r\n> HETATM 3195 2H6 Rit X 1 7.978 25.649 -3.024 1.00 0.00 H \r\n> HETATM 3196 H1 Rit X 1 5.735 25.398 -4.895 1.00 0.00 H \r\n> HETATM 3197 1H4 Rit X 1 5.029 29.121 -5.005 1.00 0.00 H \r\n> HETATM 3198 2H4 Rit X 1 3.905 28.346 -3.650 1.00 0.00 H \r\n> HETATM 3199 H26 Rit X 1 6.719 26.604 4.118 1.00 0.00 H \r\n> HETATM 3200 H31 Rit X 1 9.417 26.909 3.386 1.00 0.00 H \r\n> HETATM 3201 H32 Rit X 1 10.901 28.554 2.205 1.00 0.00 H \r\n> HETATM 3202 H33 Rit X 1 9.971 30.180 0.537 1.00 0.00 H \r\n> HETATM 3203 H34 Rit X 1 7.479 30.225 0.102 1.00 0.00 H \r\n> HETATM 3204 H35 Rit X 1 5.977 28.593 1.280 1.00 0.00 H \r\n> HETATM 3205 H41 Rit X 1 4.369 25.255 2.243 1.00 0.00 H \r\n> HETATM 3206 1H44 Rit X 1 7.410 20.656 2.310 1.00 0.00 H \r\n> HETATM 3207 2H44 Rit X 1 7.465 20.402 4.086 1.00 0.00 H \r\n> HETATM 3208 H48 Rit X 1 9.406 20.148 5.260 1.00 0.00 H \r\n> HETATM 3209 H49 Rit X 1 11.868 19.583 5.224 1.00 0.00 H \r\n> HETATM 3210 H50 Rit X 1 13.129 19.781 3.059 1.00 0.00 H \r\n> HETATM 3211 H51 Rit X 1 11.987 20.572 0.996 1.00 0.00 H \r\n> HETATM 3212 H52 Rit X 1 9.552 21.171 1.033 1.00 0.00 H \r\n> HETATM 3213 H19 Rit X 1 7.925 24.037 7.042 1.00 0.00 H \r\n> HETATM 3214 H20 Rit X 1 10.480 22.362 7.373 1.00 0.00 H \r\n> HETATM 3215 1H75 Rit X 1 7.808 20.225 9.931 1.00 0.00 H \r\n> HETATM 3216 2H75 Rit X 1 9.073 18.906 9.543 1.00 0.00 H \r\n> HETATM 3217 1H80 Rit X 1 6.087 20.334 7.844 1.00 0.00 H \r\n> HETATM 3218 2H80 Rit X 1 5.622 19.504 9.356 1.00 0.00 H \r\n> HETATM 3219 H85 Rit X 1 5.847 16.930 5.529 1.00 0.00 H \r\n> HETATM 3220 1H86 Rit X 1 4.304 15.555 5.965 1.00 0.00 H \r\n> HETATM 3221 2H86 Rit X 1 5.207 14.730 7.302 1.00 0.00 H \r\n> HETATM 3222 3H86 Rit X 1 5.573 14.321 5.574 1.00 0.00 H \r\n> HETATM 3223 1H90 Rit X 1 7.373 14.419 5.862 1.00 0.00 H \r\n> HETATM 3224 2H90 Rit X 1 8.301 15.658 6.805 1.00 0.00 H \r\n> HETATM 3225 3H90 Rit X 1 8.042 15.880 5.023 1.00 0.00 H \r\n> HETATM 3226 1H95 Rit X 1 10.304 18.979 8.227 1.00 0.00 H \r\n> HETATM 3227 2H95 Rit X 1 11.088 20.556 8.650 1.00 0.00 H \r\n> HETATM 3228 3H95 Rit X 1 10.513 20.256 6.958 1.00 0.00 H \r\n> HETATM 3229 H62 Rit X 1 10.836 24.802 6.993 1.00 0.00 H \r\n> HETATM 3230 1H64 Rit X 1 10.337 27.127 6.961 1.00 0.00 H \r\n> HETATM 3231 2H64 Rit X 1 8.553 26.809 7.029 1.00 0.00 H \r\n> HETATM 3232 3H64 Rit X 1 9.508 26.312 5.570 1.00 0.00 H \r\n> HETATM 3233 1H68 Rit X 1 9.121 24.308 9.265 1.00 0.00 H \r\n> HETATM 3234 2H68 Rit X 1 9.413 26.095 9.191 1.00 0.00 H \r\n> HETATM 3235 3H68 Rit X 1 10.816 24.948 9.254 1.00 0.00 H \r\n3248,3250c3248,3250\r\n< HETATM 3237 O WAT W 1 9.582 17.230 3.272 1.00 0.00 O \r\n< HETATM 3238 H1 WAT W 1 10.109 16.598 3.761 1.00 0.00 H \r\n< HETATM 3239 H2 WAT W 1 9.702 18.056 3.740 1.00 0.00 H \r\n---\r\n> HETATM 3237 O WAT W 1 9.554 17.094 3.104 1.00 0.00 O \r\n> HETATM 3238 H1 WAT W 1 10.073 16.443 3.575 1.00 0.00 H \r\n> HETATM 3239 H2 WAT W 1 9.639 17.893 3.626 1.00 0.00 H \r\n3354c3354\r\n< coordinate_constraint 3.7106\r\n---\r\n> coordinate_constraint 3.76114\r\n3360,3370c3360,3370\r\n< fa_atr -802.969\r\n< fa_dun 123.367\r\n< fa_elec -84.0506\r\n< fa_intra_rep 2.26624\r\n< fa_pair -20.0796\r\n< fa_rep 140.545\r\n< fa_sol 356.793\r\n< hbond_bb_sc -16.4033\r\n< hbond_lr_bb -133.963\r\n< hbond_sc -12.993\r\n< hbond_sr_bb -38.7372\r\n---\r\n> fa_atr -803.265\r\n> fa_dun 123.489\r\n> fa_elec -84.0237\r\n> fa_intra_rep 2.2669\r\n> fa_pair -20.0337\r\n> fa_rep 141.26\r\n> fa_sol 356.153\r\n> hbond_bb_sc -16.3414\r\n> hbond_lr_bb -133.865\r\n> hbond_sc -12.9932\r\n> hbond_sr_bb -38.4243\r\n3380c3380\r\n< if_W_fa_atr -1.6068\r\n---\r\n> if_W_fa_atr -1.64617\r\n3382c3382\r\n< if_W_fa_elec -0.387382\r\n---\r\n> if_W_fa_elec -0.350466\r\n3385,3387c3385,3387\r\n< if_W_fa_rep 0.0608242\r\n< if_W_fa_sol 1.40562\r\n< if_W_hbond_bb_sc -0.0868975\r\n---\r\n> if_W_fa_rep 0.0577541\r\n> if_W_fa_sol 1.4604\r\n> if_W_hbond_bb_sc -0.0866769\r\n3389c3389\r\n< if_W_hbond_sc -0.0675882\r\n---\r\n> if_W_hbond_sc -0.0683928\r\n3405c3405\r\n< if_X_fa_atr -22.0963\r\n---\r\n> if_X_fa_atr -21.875\r\n3407c3407\r\n< if_X_fa_elec -1.03345\r\n---\r\n> if_X_fa_elec -1.05187\r\n3409,3412c3409,3412\r\n< if_X_fa_pair 0.700421\r\n< if_X_fa_rep 6.00572\r\n< if_X_fa_sol 5.28026\r\n< if_X_hbond_bb_sc -0.101247\r\n---\r\n> if_X_fa_pair 0.704767\r\n> if_X_fa_rep 6.42566\r\n> if_X_fa_sol 4.46601\r\n> if_X_hbond_bb_sc -0.100549\r\n3414c3414\r\n< if_X_hbond_sc -0.0641084\r\n---\r\n> if_X_hbond_sc -0.0641865\r\n3421,3424c3421,3424\r\n< interface_delta_W -0.682219\r\n< interface_delta_X -11.3087\r\n< ligand_centroid_travel_W 4.95234\r\n< ligand_centroid_travel_X 2.50346\r\n---\r\n> interface_delta_W -0.633552\r\n> interface_delta_X -11.4951\r\n> ligand_centroid_travel_W 5.16599\r\n> ligand_centroid_travel_X 2.44564\r\n3429,3430c3429,3430\r\n< ligand_rms_no_super_W 5.0488\r\n< ligand_rms_no_super_X 9.94128\r\n---\r\n> ligand_rms_no_super_W 5.25938\r\n> ligand_rms_no_super_X 9.69264\r\n3433,3436c3433,3436\r\n< omega 35.2291\r\n< p_aa_pp -8.23475\r\n< pro_close 3.22926\r\n< rama 9.2231\r\n---\r\n> omega 35.8177\r\n> p_aa_pp -8.03718\r\n> pro_close 3.25195\r\n> rama 9.27499\r\n3438c3438\r\n< total_score -517.487\r\n---\r\n> total_score -516.129\r\n3444,3445c3444,3445\r\n< pose -802.969 140.545 356.793 2.26624 -84.0506 3.22926 -20.0796 -38.7372 -133.963 -16.4033 -12.993 0 0 0 0 0 3.7106 0 0 9.2231 35.2291 123.367 -8.23475 -74.42 0 -517.487\r\n< PRO:NtermProteinFull_1 -3.35371 0.86482 1.76535 0.00211 0.07137 1.14772 0 0 0 0 0 0 0 0 0 0 1.8553 0 0 0 0.75115 0.42828 0 -0.33 0 3.20239\r\n---\r\n> pose -803.265 141.26 356.153 2.2669 -84.0237 3.25195 -20.0337 -38.4243 -133.865 -16.3414 -12.9932 0 0 0 0 0 3.76114 0 0 9.27499 35.8177 123.489 -8.03718 -74.42 0 -516.129\r\n> PRO:NtermProteinFull_1 -3.35371 0.86482 1.76535 0.00211 0.07137 1.14772 0 0 0 0 0 0 0 0 0 0 1.88057 0 0 0 0.75115 0.42828 0 -0.33 0 3.22767\r\n3449,3453c3449,3453\r\n< TRP_5 -10.8045 1.59156 2.81835 0.0377 -0.2051 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12071 0.03835 1.81205 -0.00405 2.88 0 -1.71498\r\n< GLN_6 -2.85817 0.3532 1.6789 0.00776 -0.2267 0 -0.24499 0 0 -0.26318 0 0 0 0 0 0 0 0 0 -0.32258 -0.0452 1.45026 -0.10874 -0.29 0 -0.86944\r\n< ARG_7 -3.11521 0.82148 2.35155 0.01317 -0.27011 3e-05 -0.27344 0 0 -0.26318 0 0 0 0 0 0 0 0 0 -0.06524 -0.01198 0.8067 -0.10197 -0.77 0 -0.87819\r\n< PRO_8 -3.61811 0.79863 1.18651 0.00196 -0.53888 0.10509 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22589 1.00378 0.07803 -0.92943 -0.33 0 -2.46832\r\n< LEU_9 -6.47517 0.70123 1.23877 0.01837 -0.54026 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.31809 0.01852 1.19284 0.00745 -0.66 0 -4.18017\r\n---\r\n> TRP_5 -10.8104 1.58858 2.81749 0.0377 -0.20482 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12071 0.03835 1.81205 -0.00405 2.88 0 -1.72437\r\n> GLN_6 -2.85797 0.3532 1.67847 0.00776 -0.22762 0 -0.24499 0 0 -0.26318 0 0 0 0 0 0 0 0 0 -0.32258 -0.0452 1.45026 -0.10874 -0.29 0 -0.87059\r\n> ARG_7 -3.11706 0.82148 2.35307 0.01317 -0.27209 3e-05 -0.27269 0 0 -0.26318 0 0 0 0 0 0 0 0 0 -0.06524 -0.01198 0.8067 -0.10197 -0.77 0 -0.87976\r\n> PRO_8 -3.62103 0.79977 1.18208 0.00196 -0.53317 0.10509 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22589 1.00378 0.07803 -0.92943 -0.33 0 -2.46881\r\n> LEU_9 -6.47905 0.69643 1.23692 0.01837 -0.53942 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.31809 0.01852 1.19284 0.00745 -0.66 0 -4.18987\r\n3467,3477c3467,3477\r\n< LEU_23 -6.00576 0.59264 1.67583 0.01552 -0.53794 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.027 -0.0021 0.23499 -0.21127 -0.66 0 -4.87108\r\n< ASP_24 -3.57583 0.10339 2.53676 0.00591 -0.68159 0 -0.36487 0 0 0 0 0 0 0 0 0 0 0 0 -0.15467 0.51641 0.89927 -0.64836 -0.65 0 -2.01358\r\n< THR_25 -4.777 0.316 2.5699 0.00986 -0.4202 0 -0.20967 0 0 0 0 0 0 0 0 0 0 0 0 0.17033 -0.01972 0.05435 0.34877 -0.57 0 -2.52739\r\n< GLY_26 -2.40985 0.43928 1.21151 7e-05 -0.12862 0 0 0 0 -0.36952 0 0 0 0 0 0 0.03899 0 0 -0.13733 -0.08327 0 0.17316 -0.55 0 -1.81558\r\n< ALA_27 -2.80788 0.44485 1.10233 0.00157 0.11756 0 0 0 0 0 0 0 0 0 0 0 0.09743 0 0 -0.00722 -0.02617 0 0.34041 0.05 0 -0.68712\r\n< ASP_28 -5.56664 1.03746 3.83617 0.00303 -1.33842 0 -0.57097 0 0 0 -0.54314 0 0 0 0 0 0.05254 0 0 0.06782 0.07568 1.75304 0.51398 -0.65 0 -1.32945\r\n< ASP_29 -2.14496 0.18038 1.87979 0.00312 -0.28613 0 -0.14395 0 0 0 -0.56532 0 0 0 0 0 0.02354 0 0 -0.22077 -0.04152 1.02273 -0.14215 -0.65 0 -1.08525\r\n< THR_30 -3.9179 1.33758 1.68716 0.00864 -0.62117 0 0.01449 0 0 -0.62347 0 0 0 0 0 0 0.00048 0 0 0.18707 -0.04595 0.77889 -0.19824 -0.57 0 -1.96242\r\n< VAL_31 -3.69463 0.48996 1.23677 0.01177 -0.60714 0 0 0 0 -1.31469 0 0 0 0 0 0 0 0 0 -0.09858 0.53141 0.02802 -0.46064 -0.57 0 -4.44775\r\n< LEU_32 -6.04787 1.60645 1.57111 0.01276 -0.03797 0 0 0 0 -0.65324 0 0 0 0 0 0 0 0 0 0.39068 -0.01796 0.07963 -0.06291 -0.66 0 -3.81933\r\n< GLU_33 -4.97746 0.82141 3.11969 0.00939 -0.07091 0 -0.36455 0 0 0 -0.88148 0 0 0 0 0 0 0 0 0.08378 0.48376 2.18477 -0.10132 -0.27 0 0.0371\r\n---\r\n> LEU_23 -6.01296 0.59443 1.67179 0.01552 -0.53615 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.027 -0.0021 0.23499 -0.21127 -0.66 0 -4.87875\r\n> ASP_24 -3.57726 0.10343 2.53524 0.00591 -0.68239 0 -0.36487 0 0 0 0 0 0 0 0 0 0 0 0 -0.15467 0.51641 0.89927 -0.64836 -0.65 0 -2.0173\r\n> THR_25 -4.7853 0.33452 2.61996 0.00978 -0.44028 0 -0.21255 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -0.02209 0.05103 0.34328 -0.57 0 -2.50546\r\n> GLY_26 -2.40214 0.44346 1.19334 7e-05 -0.10308 0 0 0 0 -0.37244 0 0 0 0 0 0 0.04099 0 0 -0.14809 -0.02006 0 0.19699 -0.55 0 -1.72096\r\n> ALA_27 -2.99784 0.62724 1.024 0.00241 0.24969 0 0 0 0 0 0 0 0 0 0 0 0.10415 0 0 0.10022 0.41654 0 0.43166 0.05 0 0.00807\r\n> ASP_28 -5.53111 1.04805 3.88594 0.00304 -1.10765 0 -0.58059 0 0 0 -0.53842 0 0 0 0 0 0.07705 0 0 0.11234 0.03708 1.90114 0.61879 -0.65 0 -0.72434\r\n> ASP_29 -2.16016 0.17985 1.87374 0.00309 -0.30456 0 -0.14381 0 0 0 -0.57041 0 0 0 0 0 0.02334 0 0 -0.21066 -0.04116 1.03216 -0.14952 -0.65 0 -1.1181\r\n> THR_30 -3.87571 1.30895 1.70455 0.0086 -0.62914 0 0.01558 0 0 -0.61646 0 0 0 0 0 0 0.00034 0 0 0.19314 -0.04833 0.7923 -0.18354 -0.57 0 -1.89974\r\n> VAL_31 -3.69742 0.49182 1.23664 0.01177 -0.60904 0 0 0 0 -1.31469 0 0 0 0 0 0 0 0 0 -0.09858 0.53141 0.02802 -0.46064 -0.57 0 -4.4507\r\n> LEU_32 -6.06201 1.62502 1.57323 0.01276 -0.04146 0 0 0 0 -0.65531 0 0 0 0 0 0 0 0 0 0.39068 -0.01796 0.07963 -0.06291 -0.66 0 -3.81834\r\n> GLU_33 -4.97795 0.82141 3.12022 0.00939 -0.07086 0 -0.36455 0 0 0 -0.88148 0 0 0 0 0 0 0 0 0.08378 0.48376 2.18477 -0.10132 -0.27 0 0.03718\r\n3490,3500c3490,3500\r\n< ILE_46 -2.44415 0.1442 0.14245 0.02365 -0.11659 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14797 0.14921 0.44652 -0.37448 -0.73 0 -2.90717\r\n< GLY_47 -2.74055 0.19452 1.75473 7e-05 -0.45444 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.18703 0.34751 0 -0.81837 -0.55 0 -2.07948\r\n< GLY_48 -2.35761 0.12691 1.45128 4e-05 -0.29989 0 0 0 0 -0.16613 0 0 0 0 0 0 0.02883 0 0 0.18776 -0.06536 0 -1.26307 -0.55 0 -2.90724\r\n< ILE_49 -5.09472 0.81618 1.04849 0.01971 0.03954 0 0 0 0 0 0 0 0 0 0 0 0.00081 0 0 0.10487 -0.03015 0.10527 -0.17975 -0.73 0 -3.89974\r\n< GLY_50 -2.04559 0.52459 0.9819 0.00013 -0.04557 0 0 0 0 0 0 0 0 0 0 0 0.043 0 0 -0.07281 -0.19395 0 0.28625 -0.55 0 -1.07204\r\n< GLY_51 -2.35228 0.58928 1.15857 0.00021 0.32867 0 0 0 0 0 0 0 0 0 0 0 0.00603 0 0 0.17716 0.05188 0 0.61333 -0.55 0 0.02285\r\n< PHE_52 -3.62417 0.29734 1.4402 0.02058 -0.35297 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.04788 0.02677 0.61469 -0.30548 1.88 0 0.04485\r\n< ILE_53 -2.33349 0.26645 0.5158 0.025 -0.17168 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20272 0.30531 0.16317 -0.32003 -0.73 0 -2.48218\r\n< LYS_54 -6.4759 0.95947 3.92206 0.0185 -0.85153 0 -0.1173 0 0 -0.22528 0 0 0 0 0 0 0 0 0 -0.0967 0.02327 3.99658 0.05579 -0.42 0 0.78895\r\n< VAL_55 -2.80363 0.29636 0.90424 0.01236 -0.14714 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.19331 0.51135 0.0181 -0.43781 -0.57 0 -2.40947\r\n< ARG_56 -9.68188 1.79054 4.88631 0.01161 -0.7975 0 0.01135 0 0 -0.85736 0 0 0 0 0 0 0 0 0 -0.05223 0.27367 1.55132 -0.07857 -0.77 0 -3.71274\r\n---\r\n> ILE_46 -2.4447 0.1442 0.14307 0.02365 -0.11671 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14797 0.14921 0.44652 -0.37448 -0.73 0 -2.90723\r\n> GLY_47 -2.74201 0.19565 1.75586 7e-05 -0.45355 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.18669 0.38711 0 -0.81748 -0.55 0 -2.03766\r\n> GLY_48 -2.36263 0.13124 1.44977 4e-05 -0.2979 0 0 0 0 -0.15913 0 0 0 0 0 0 0.03201 0 0 0.18756 -0.06536 0 -1.26304 -0.55 0 -2.89744\r\n> ILE_49 -5.0637 0.83083 1.07411 0.01984 0.05791 0 0 0 0 0 0 0 0 0 0 0 0.00338 0 0 0.0903 -0.03535 0.08703 -0.18999 -0.73 0 -3.85565\r\n> GLY_50 -2.06792 0.60854 0.98901 0.00013 -0.10651 0 0 0 0 0 0 0 0 0 0 0 0.0604 0 0 -0.07308 -0.19015 0 0.28394 -0.55 0 -1.04564\r\n> GLY_51 -2.16088 0.50221 1.07208 0.00021 0.29072 0 0 0 0 0 0 0 0 0 0 0 0.00792 0 0 0.17265 0.04551 0 0.61681 -0.55 0 -0.00277\r\n> PHE_52 -3.64131 0.30725 1.45058 0.02058 -0.3533 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.04788 0.02677 0.61469 -0.30548 1.88 0 0.04765\r\n> ILE_53 -2.33617 0.26744 0.51762 0.025 -0.16724 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20272 0.30531 0.16317 -0.32003 -0.73 0 -2.47762\r\n> LYS_54 -6.47975 0.96222 3.92345 0.0185 -0.85146 0 -0.1173 0 0 -0.22528 0 0 0 0 0 0 0 0 0 -0.0967 0.02327 3.99658 0.05579 -0.42 0 0.78931\r\n> VAL_55 -2.80366 0.29636 0.90424 0.01236 -0.14714 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.19331 0.51135 0.0181 -0.43781 -0.57 0 -2.4095\r\n> ARG_56 -9.6854 1.79015 4.88863 0.01161 -0.79665 0 0.01141 0 0 -0.85736 0 0 0 0 0 0 0 0 0 -0.05223 0.27367 1.55132 -0.07857 -0.77 0 -3.71342\r\n3522c3522\r\n< PRO_78 -7.29904 3.76215 2.46464 0.0027 -0.2873 0.1533 0 0 0 0 0 0 0 0 0 0 0 0 0 0.16677 0.10029 0.17942 -0.77233 -0.33 0 -1.85939\r\n---\r\n> PRO_78 -7.29905 3.76215 2.46464 0.0027 -0.28729 0.1533 0 0 0 0 0 0 0 0 0 0 0 0 0 0.16677 0.10029 0.17942 -0.77233 -0.33 0 -1.85939\r\n3524c3524\r\n< PRO_80 -5.04006 1.83029 1.76462 0.00278 0.0291 0.51786 0 0 0 0 0 0 0 0 0 0 0 0 0 0.23654 -0.03148 0.11673 -0.394 -0.33 0 -1.29762\r\n---\r\n> PRO_80 -5.04009 1.83029 1.76462 0.00278 0.02913 0.51786 0 0 0 0 0 0 0 0 0 0 0 0 0 0.23654 -0.03148 0.11673 -0.394 -0.33 0 -1.29762\r\n3527,3536c3527,3536\r\n< ILE_83 -5.95221 1.15418 1.8151 0.02032 -0.27362 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 0.09396 0.3026 -0.64442 -0.73 0 -4.41\r\n< ILE_84 -5.74647 0.7817 2.22092 0.02414 -0.33969 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02177 0.39322 0.08485 -0.24937 -0.73 0 -3.53893\r\n< GLY_85 -2.9072 0.18524 1.97797 0.0001 -0.40453 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05131 0.56213 0 0.48125 -0.55 0 -0.70635\r\n< ARG_86 -9.20077 2.38878 5.85042 0.01236 -1.53565 0 -0.27264 0 0 -0.65324 -0.54314 0 0 0 0 0 0 0 0 0.15679 1.14476 1.77033 0.09709 -0.77 0 -1.55491\r\n< ASN_87 -5.35554 0.79856 4.43939 0.00625 -1.04101 0 -0.35516 0 0 -0.36952 -0.56532 0 0 0 0 0 0 0 0 -0.1811 1.00815 0.88645 0.06753 -0.76 0 -1.42132\r\n< LEU_88 -3.75874 0.4426 1.51672 0.01458 -0.27618 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.12003 -0.01499 0.19992 -0.14465 -0.66 0 -2.80078\r\n< LEU_89 -4.93601 0.39789 1.15238 0.01407 -0.61183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.19236 0.27679 0.2219 -0.21812 -0.66 0 -4.5553\r\n< THR_90 -4.97943 0.51465 3.41341 0.00544 -0.61344 0 -0.27714 0 0 0 0 0 0 0 0 0 0 0 0 -0.16998 0.82084 0.22207 0.04471 -0.57 0 -1.58886\r\n< GLN_91 -4.27662 0.26229 2.86888 0.00608 -0.40294 0 -0.33849 0 0 0 0 0 0 0 0 0 0 0 0 -0.02317 0.29402 1.70425 0.04675 -0.29 0 -0.14895\r\n< ILE_92 -4.79459 0.74412 0.91061 0.02407 -0.13684 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20008 0.06799 0.16678 -0.1849 -0.73 0 -4.13284\r\n---\r\n> ILE_83 -5.95225 1.15418 1.81511 0.02032 -0.27312 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 0.09396 0.3026 -0.64442 -0.73 0 -4.40952\r\n> ILE_84 -5.76462 0.79682 2.23543 0.02414 -0.34064 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.02177 0.39322 0.08485 -0.24937 -0.73 0 -3.52839\r\n> GLY_85 -2.91103 0.18496 1.98081 0.0001 -0.40461 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05131 0.56213 0 0.48125 -0.55 0 -0.70771\r\n> ARG_86 -9.20375 2.40238 5.87685 0.01258 -1.5389 0 -0.27723 0 0 -0.65531 -0.53842 0 0 0 0 0 0 0 0 0.15679 1.14476 1.85475 0.09709 -0.77 0 -1.4384\r\n> ASN_87 -5.32322 0.79521 4.38922 0.0063 -1.04311 0 -0.3573 0 0 -0.37244 -0.57041 0 0 0 0 0 0 0 0 -0.1811 1.00815 0.88787 0.06753 -0.76 0 -1.4533\r\n> LEU_88 -3.75983 0.4426 1.51823 0.01458 -0.27769 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.12003 -0.01499 0.19992 -0.14465 -0.66 0 -2.80187\r\n> LEU_89 -4.93604 0.39789 1.15238 0.01407 -0.61194 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.19236 0.27679 0.2219 -0.21812 -0.66 0 -4.55544\r\n> THR_90 -4.97878 0.51459 3.41399 0.00544 -0.61293 0 -0.27736 0 0 0 0 0 0 0 0 0 0 0 0 -0.16998 0.82084 0.22207 0.04471 -0.57 0 -1.58739\r\n> GLN_91 -4.28148 0.26735 2.87041 0.00608 -0.40372 0 -0.33858 0 0 0 0 0 0 0 0 0 0 0 0 -0.02317 0.29402 1.70425 0.04675 -0.29 0 -0.14809\r\n> ILE_92 -4.7946 0.74412 0.91061 0.02407 -0.13684 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.20008 0.06799 0.16678 -0.1849 -0.73 0 -4.13285\r\n3538,3541c3538,3541\r\n< CYS_94 -2.7405 0.29679 1.98467 0.00494 -0.413 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17025 0.00968 0.11615 0.14488 0.09 0 -0.33613\r\n< THR_95 -4.7863 0.80382 2.3123 0.00661 -1.04983 0 -0.23878 0 0 0 0 0 0 0 0 0 0 0 0 -0.05149 0.28803 0.17631 -0.31596 -0.57 0 -3.42529\r\n< LEU_96 -5.98949 1.82905 1.73809 0.02363 -0.6435 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.11094 0.05415 1.38035 0.31672 -0.66 0 -1.84006\r\n< ASN_97 -5.62377 0.53244 2.91472 0.00731 -0.44839 0 -0.35187 0 0 0 0 0 0 0 0 0 0 0 0 0.04436 0.01316 1.66931 0.57212 -0.76 0 -1.43062\r\n---\r\n> CYS_94 -2.74198 0.29679 1.9853 0.00494 -0.41259 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.17025 0.00968 0.11615 0.14488 0.09 0 -0.33658\r\n> THR_95 -4.78924 0.80631 2.31422 0.00661 -1.0501 0 -0.23892 0 0 0 0 0 0 0 0 0 0 0 0 -0.05149 0.28803 0.17631 -0.31596 -0.57 0 -3.42421\r\n> LEU_96 -5.99502 1.82916 1.74037 0.02363 -0.64375 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.11094 0.05415 1.38035 0.31672 -0.66 0 -1.84345\r\n> ASN_97 -5.63312 0.53768 2.91712 0.00731 -0.4482 0 -0.34927 0 0 0 0 0 0 0 0 0 0 0 0 0.04436 0.01316 1.66931 0.57212 -0.76 0 -1.42953\r\n3546,3558c3546,3558\r\n< THR_102 -3.92141 0.4265 1.98724 0.0071 -0.76964 0 -0.07319 0 0 0 0 0 0 0 0 0 0 0 0 0.02195 -0.01655 0.07899 -0.11729 -0.57 0 -2.94632\r\n< LEU_103 -3.86771 0.77343 1.01545 0.01382 -0.05216 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.21463 0.07734 0.1125 -0.09035 -0.66 0 -2.89231\r\n< TRP_104 -7.68596 0.98629 2.29508 0.01885 -0.33143 0 0 0 0 0 -0.35123 0 0 0 0 0 0 0 0 0.22483 0.03323 1.04468 -0.10007 2.88 0 -0.98572\r\n< GLN_105 -3.35456 0.32531 1.73062 0.0077 -0.30008 0 -0.25177 0 0 -0.18718 0 0 0 0 0 0 0.06467 0 0 -0.28606 -0.02555 1.4278 -0.13545 -0.29 0 -1.27454\r\n< ARG_106 -2.56181 0.33568 1.86843 0.01475 -0.22414 3e-05 -0.18457 0 0 -0.18718 0 0 0 0 0 0 0.03273 0 0 -0.12612 0.03275 0.75835 -0.20196 -0.77 0 -1.21307\r\n< PRO_107 -2.45358 0.28544 0.442 0.00241 -0.30133 0.04086 0 0 0 0 0 0 0 0 0 0 0.0382 0 0 -0.13077 -0.07768 0.06666 -0.53624 -0.33 0 -2.95403\r\n< LEU_108 -5.86152 1.16574 0.60711 0.01603 -0.34573 0 0 0 0 0 0 0 0 0 0 0 0.00144 0 0 0.32257 0.22172 1.98554 0.01393 -0.66 0 -2.53316\r\n< VAL_109 -3.69838 0.3139 0.48216 0.01529 -0.41758 0 0 0 0 0 0 0 0 0 0 0 0.00018 0 0 -0.20093 -0.07871 0.00489 -0.34035 -0.57 0 -4.48953\r\n< THR_110 -3.66265 0.35287 2.49051 0.00578 -1.34906 0 -0.29379 0 0 0 -0.73267 0 0 0 0 0 0 0 0 -0.0559 0.21791 0.03107 -0.61554 -0.57 0 -4.18145\r\n< ILE_111 -3.82369 1.51219 0.64622 0.02559 -0.45476 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17351 0.21368 0.76131 -0.62386 -0.73 0 -2.64683\r\n< LYS_112 -6.70885 1.0196 4.7256 0.0098 -2.91861 0 -1.38421 0 0 0 -0.77982 0 0 0 0 0 0 0 0 -0.07146 0.0098 1.96766 -0.02705 -0.42 0 -4.57753\r\n< ILE_113 -3.5235 0.45226 1.68228 0.02057 -0.92238 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17147 0.15346 0.09273 -0.60103 -0.73 0 -3.54707\r\n< GLY_114 -2.09717 0.16804 1.60559 0.00011 -0.34954 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.36607 0.12459 0 0.31817 -0.55 0 -0.41414\r\n---\r\n> THR_102 -3.92214 0.42618 1.9881 0.0071 -0.76946 0 -0.07319 0 0 0 0 0 0 0 0 0 0 0 0 0.02195 -0.01655 0.07899 -0.11729 -0.57 0 -2.94632\r\n> LEU_103 -3.86596 0.76922 1.01441 0.01382 -0.05268 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.21463 0.07734 0.1125 -0.09035 -0.66 0 -2.89632\r\n> TRP_104 -7.69044 0.99156 2.30331 0.01877 -0.33374 0 0 0 0 0 -0.34362 0 0 0 0 0 0 0 0 0.22273 0.03623 1.03703 -0.09911 2.88 0 -0.97725\r\n> GLN_105 -3.36012 0.32755 1.73207 0.0077 -0.29467 0 -0.25243 0 0 -0.18739 0 0 0 0 0 0 0.06043 0 0 -0.28606 -0.02555 1.4278 -0.13545 -0.29 0 -1.27611\r\n> ARG_106 -2.56517 0.32474 1.86498 0.01478 -0.22067 0.00016 -0.18478 0 0 -0.18739 0 0 0 0 0 0 0.03175 0 0 -0.12461 0.02385 0.76495 -0.20077 -0.77 0 -1.22819\r\n> PRO_107 -2.6618 0.35832 0.44049 0.00243 -0.30195 0.03635 0 0 0 0 0 0 0 0 0 0 0.02987 0 0 -0.143 -0.1001 0.06431 -0.55882 -0.33 0 -3.1639\r\n> LEU_108 -5.86672 1.1584 0.60849 0.01609 -0.35692 0 0 0 0 0 0 0 0 0 0 0 0.00309 0 0 0.3156 0.22908 2.01098 0.00439 -0.66 0 -2.53752\r\n> VAL_109 -3.7901 0.32796 0.46716 0.01533 -0.40465 0 0 0 0 0 0 0 0 0 0 0 0.00037 0 0 -0.19961 -0.07711 0.00489 -0.34163 -0.57 0 -4.56739\r\n> THR_110 -3.67318 0.36412 2.49814 0.00578 -1.36208 0 -0.29379 0 0 0 -0.72704 0 0 0 0 0 0 0 0 -0.0559 0.21791 0.03108 -0.61554 -0.57 0 -4.18049\r\n> ILE_111 -3.82638 1.52178 0.64723 0.02559 -0.45373 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17351 0.21368 0.76131 -0.62386 -0.73 0 -2.63789\r\n> LYS_112 -6.72891 1.01683 4.74607 0.0098 -2.92233 0 -1.40227 0 0 0 -0.80178 0 0 0 0 0 0 0 0 -0.07146 0.0098 1.96767 -0.02705 -0.42 0 -4.62363\r\n> ILE_113 -3.52351 0.45228 1.68229 0.02057 -0.92238 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.17147 0.15346 0.09273 -0.60103 -0.73 0 -3.54707\r\n> GLY_114 -2.09718 0.16804 1.6056 0.00011 -0.34955 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.36607 0.12459 0 0.31817 -0.55 0 -0.41414\r\n3562,3581c3562,3581\r\n< LYS_118 -2.21307 0.47655 0.68204 0.00557 -0.17088 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08857 -0.04103 0.6875 0.08506 -0.42 0 -0.99683\r\n< GLU_119 -3.94195 0.28456 3.43646 0.00469 -1.73274 0 -0.91636 0 0 0 0 0 0 0 0 0 0 0 0 0.10444 -0.00428 1.59464 -0.08638 -0.27 0 -1.52692\r\n< ALA_120 -2.57593 1.57129 0.39483 0.00107 -0.12902 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05726 -0.02036 0 0.07901 0.05 0 -0.68636\r\n< LEU_121 -6.59427 0.76077 1.88869 0.03301 -0.71466 0 0 0 0 0 0 0 0 0 0 0 0.01865 0 0 0.33045 0.18635 0.68181 0.33494 -0.66 0 -3.73427\r\n< LEU_122 -6.00422 0.66849 1.29577 0.01453 -0.70945 0 0 0 0 0 0 0 0 0 0 0 0.08129 0 0 -0.03846 -0.00203 0.28982 -0.20167 -0.66 0 -5.26594\r\n< ASP_123 -3.62978 0.08816 2.58418 0.00212 -0.95761 0 -0.40377 0 0 0 -0.73267 0 0 0 0 0 0.0085 0 0 0.00793 0.57488 1.3935 0.30884 -0.65 0 -1.40573\r\n< THR_124 -4.41589 0.35197 1.84181 0.00954 -0.27663 0 -0.16568 0 0 -1.04923 0 0 0 0 0 0 0.01047 0 0 -0.1459 0.00827 0.42788 -0.12743 -0.57 0 -4.10081\r\n< GLY_125 -3.69424 0.66211 1.57456 7e-05 0.09531 0 0 0 0 -0.01371 0 0 0 0 0 0 0.01586 0 0 0.02945 -0.08973 0 0.54712 -0.55 0 -1.4232\r\n< ALA_126 -3.5368 0.17098 1.2136 0.00133 0.17568 0 0 0 0 -1.04923 0 0 0 0 0 0 0.02753 0 0 -0.16534 0.00509 0 0.05605 0.05 0 -3.0511\r\n< ASP_127 -4.00456 0.61785 3.25525 0.00248 -0.62628 0 -0.67871 0 0 0 0 0 0 0 0 0 0.09836 0 0 0.20542 0.50325 1.0801 0.46066 -0.65 0 0.26382\r\n< ASP_128 -3.96976 0.40964 2.90901 0.00263 -0.96456 0 -0.34938 0 0 0 -0.58177 0 0 0 0 0 0.03493 0 0 0.57446 0.81776 1.10607 0.15593 -0.65 0 -0.50503\r\n< THR_129 -3.12573 0.6832 1.40068 0.00607 -0.66713 0 -0.01552 0 0 -0.49187 0 0 0 0 0 0 0.04587 0 0 0.04541 0.12363 0.02536 0.38744 -0.57 0 -2.1526\r\n< VAL_130 -5.92481 1.51912 0.44509 0.01224 -0.32574 0 0 0 0 0 0 0 0 0 0 0 0.04415 0 0 -0.24504 0.17879 0.00705 -0.30407 -0.57 0 -5.16323\r\n< LEU_131 -5.54646 0.7289 1.64837 0.01183 -0.59193 0 0 0 0 0 0 0 0 0 0 0 0.03547 0 0 0.05105 -0.03162 0.57951 -0.06642 -0.66 0 -3.84131\r\n< GLU_132 -4.98139 0.51385 2.71223 0.00449 -0.29678 0 -0.95322 0 0 0 0 0 0 0 0 0 0.01635 0 0 0.01544 0.11976 1.53582 0.04857 -0.27 0 -1.53487\r\n< GLU_133 -4.38955 0.36472 2.8745 0.00714 0.23318 0 -0.04711 0 0 0 0 0 0 0 0 0 0.06365 0 0 -0.11244 0.11091 1.61616 0.0543 -0.27 0 0.50546\r\n< MET_134 -4.64582 0.68163 1.57647 0.01152 -0.22087 0 0 0 0 0 0 0 0 0 0 0 0.00886 0 0 0.15463 -0.05134 0.72017 0.38655 -0.29 0 -1.6682\r\n< ASN_135 -3.06271 0.30407 1.97807 0.0101 -0.31863 0 -0.74521 0 0 -0.29775 0 0 0 0 0 0 0 0 0 0.07563 -0.02121 1.28585 -0.29394 -0.76 0 -1.84574\r\n< LEU_136 -1.37976 0.64843 0.67608 0.01452 0.08662 0.00022 0 0 0 0 0 0 0 0 0 0 0 0 0 0.27653 0.11552 0.27608 -0.0016 -0.66 0 0.05263\r\n< PRO_137 -2.71542 0.91082 1.61421 0.00285 -0.06467 0.38592 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16416 0.02744 0.01405 -0.4915 -0.33 0 -0.81045\r\n---\r\n> LYS_118 -2.21308 0.47657 0.68204 0.00557 -0.17088 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.08857 -0.04103 0.6875 0.08506 -0.42 0 -0.99683\r\n> GLU_119 -3.94368 0.28443 3.43882 0.00469 -1.73904 0 -0.91163 0 0 0 0 0 0 0 0 0 0 0 0 0.10444 -0.00428 1.59464 -0.08638 -0.27 0 -1.52799\r\n> ALA_120 -2.58752 1.57911 0.40516 0.00107 -0.12216 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06035 -0.01784 0 0.07703 0.05 0 -0.67549\r\n> LEU_121 -6.62947 0.78236 1.90761 0.03375 -0.71505 0 0 0 0 0 0 0 0 0 0 0 0.01834 0 0 0.33061 0.17576 0.68394 0.33401 -0.66 0 -3.73814\r\n> LEU_122 -6.40284 0.75941 1.21362 0.01441 -0.72178 0 0 0 0 0 0 0 0 0 0 0 0.08965 0 0 -0.04648 0.05159 0.28765 -0.2106 -0.66 0 -5.62537\r\n> ASP_123 -3.65453 0.08803 2.60549 0.00213 -0.96701 0 -0.40046 0 0 0 -0.72704 0 0 0 0 0 0.00928 0 0 0.02033 0.50201 1.3868 0.33821 -0.65 0 -1.44676\r\n> THR_124 -4.43067 0.37039 1.84768 0.00948 -0.27999 0 -0.16866 0 0 -1.02765 0 0 0 0 0 0 0.0102 0 0 -0.14875 0.01841 0.45721 -0.13347 -0.57 0 -4.04581\r\n> GLY_125 -3.69944 0.66917 1.58143 7e-05 0.09712 0 0 0 0 -0.02239 0 0 0 0 0 0 0.01545 0 0 0.02945 -0.08973 0 0.54712 -0.55 0 -1.42175\r\n> ALA_126 -3.53036 0.16319 1.19539 0.00133 0.18579 0 0 0 0 -1.02765 0 0 0 0 0 0 0.01628 0 0 -0.15598 -0.03551 0 0.05657 0.05 0 -3.08096\r\n> ASP_127 -3.98994 0.59172 3.24512 0.00248 -0.60888 0 -0.68016 0 0 0 0 0 0 0 0 0 0.0597 0 0 0.1972 0.36909 1.07222 0.42205 -0.65 0 0.03061\r\n> ASP_128 -3.93776 0.39708 2.88886 0.00263 -0.95858 0 -0.34569 0 0 0 -0.56746 0 0 0 0 0 0.02928 0 0 0.57446 0.81776 1.10607 0.15593 -0.65 0 -0.48742\r\n> THR_129 -3.0901 0.65998 1.36994 0.00616 -0.67294 0 -0.01555 0 0 -0.47899 0 0 0 0 0 0 0.05018 0 0 0.03616 0.15841 0.02585 0.36999 -0.57 0 -2.15092\r\n> VAL_130 -5.92117 1.49524 0.43627 0.01229 -0.32884 0 0 0 0 0 0 0 0 0 0 0 0.04248 0 0 -0.24655 0.24101 0.00373 -0.31153 -0.57 0 -5.14707\r\n> LEU_131 -5.57765 0.77593 1.65117 0.01194 -0.5898 0 0 0 0 0 0 0 0 0 0 0 0.03075 0 0 0.05466 -0.03774 0.57544 -0.06552 -0.66 0 -3.83082\r\n> GLU_132 -4.99279 0.55919 2.74 0.00458 -0.29579 0 -0.93803 0 0 0 0 0 0 0 0 0 0.01793 0 0 0.01379 0.11024 1.52524 0.06028 -0.27 0 -1.46536\r\n> GLU_133 -4.39297 0.39511 2.87501 0.00697 0.18763 0 -0.03359 0 0 0 0 0 0 0 0 0 0.07628 0 0 -0.13463 0.14345 1.59691 0.04916 -0.27 0 0.49933\r\n> MET_134 -4.66145 0.6766 1.57377 0.01172 -0.20031 0 0 0 0 0 0 0 0 0 0 0 0.01066 0 0 0.14032 -0.04642 0.72041 0.38273 -0.29 0 -1.68198\r\n> ASN_135 -3.05874 0.30596 1.98173 0.0101 -0.32465 0 -0.74262 0 0 -0.29775 0 0 0 0 0 0 0 0 0 0.07575 -0.02117 1.28204 -0.29331 -0.76 0 -1.84266\r\n> LEU_136 -1.38002 0.64843 0.67691 0.01452 0.0866 0.00022 0 0 0 0 0 0 0 0 0 0 0 0 0 0.27653 0.11552 0.27608 -0.0016 -0.66 0 0.0532\r\n> PRO_137 -2.71544 0.91082 1.61421 0.00285 -0.06466 0.38592 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.16416 0.02744 0.01405 -0.4915 -0.33 0 -0.81046\r\n3585,3602c3585,3602\r\n< LYS_141 -4.35804 0.53978 2.96895 0.00572 -0.93908 0.00055 -0.95679 0 0 0 -0.52299 0 0 0 0 0 0 0 0 -0.10874 0.07347 0.63595 0.0146 -0.42 0 -3.06664\r\n< PRO_142 -3.75951 0.61814 1.41346 0.00271 -0.36101 0.03657 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05463 0.02426 0.06681 -0.76264 -0.33 0 -3.10583\r\n< LYS_143 -3.50751 0.39302 1.24621 0.00605 -0.05826 0 -0.06763 0 0 0 0 0 0 0 0 0 0 0 0 -0.07092 0.48334 0.5438 0.06112 -0.42 0 -1.39079\r\n< MET_144 -3.97771 0.34757 1.78248 0.00988 -0.60074 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00367 0.00111 1.32634 -0.13886 -0.29 0 -1.54359\r\n< ILE_145 -3.6365 0.89455 0.43741 0.02059 -0.10664 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.06577 0.15713 -0.38066 -0.73 0 -3.62207\r\n< GLY_146 -2.06789 0.13325 1.41814 9e-05 -0.68754 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.22413 -0.08074 0 -0.05799 -0.55 0 -1.66854\r\n< GLY_147 -1.29795 0.14902 0.33142 2e-05 -0.14365 0 0 0 0 0 0 0 0 0 0 0 0.00393 0 0 0.1793 -0.08716 0 -1.2638 -0.55 0 -2.67887\r\n< ILE_148 -2.77468 1.018 1.1413 0.02544 0.14787 0 0 0 0 0 0 0 0 0 0 0 0.00098 0 0 0.79161 0.00477 0.95768 0.98824 -0.73 0 1.57121\r\n< GLY_149 -1.02885 0.53748 0.83685 3e-05 0.24687 0 0 0 0 0 0 0 0 0 0 0 0.01776 0 0 0.40361 0.16378 0 0.83931 -0.55 0 1.46684\r\n< GLY_150 -1.14669 1.07413 0.72922 0.00013 0.1129 0 0 0 0 0 0 0 0 0 0 0 0.05615 0 0 0.09558 -0.0369 0 -1.23919 -0.55 0 -0.90467\r\n< PHE_151 -1.98784 1.11241 1.19171 0.0171 0.11425 0 0 0 0 0 0 0 0 0 0 0 0.00146 0 0 1.06869 0.04065 1.1445 1.1085 1.88 0 5.69144\r\n< ILE_152 -3.27793 0.53371 0.54773 0.02397 -0.06627 0 0 0 0 0 0 0 0 0 0 0 0.02909 0 0 -0.05678 3.79912 0.20818 -0.0977 -0.73 0 0.91312\r\n< LYS_153 -3.49797 0.29669 2.26019 0.0056 -0.51071 0 -0.13305 0 0 0 0 0 0 0 0 0 0.00583 0 0 0.02968 0.03231 0.92689 0.07743 -0.42 0 -0.92712\r\n< VAL_154 -3.16651 0.61847 0.92016 0.01231 -0.4388 0 0 0 0 -0.28697 0 0 0 0 0 0 0.01508 0 0 -0.23117 0.10205 0.00766 -0.31635 -0.57 0 -3.33408\r\n< ARG_155 -6.83266 1.06982 3.81891 0.01448 -0.91026 0 -0.12363 0 0 -0.28697 -0.44777 0 0 0 0 0 0.03952 0 0 0.07667 0.11408 1.04351 0.02476 -0.77 0 -3.16954\r\n< GLN_156 -4.90751 0.42981 2.61283 0.00609 -1.0252 0 -0.40461 0 0 -0.29775 0 0 0 0 0 0 0 0 0 -0.20082 0.01064 1.84761 0.11506 -0.29 0 -2.10384\r\n< TYR_157 -6.85302 0.58474 2.14781 0.0174 -0.50868 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00366 0.03132 1.03342 -0.15875 0.81 0 -2.89211\r\n< ASP_158 -4.24885 0.22991 3.75895 0.00721 -1.58555 0 -0.63478 0 0 0 -0.52299 0 0 0 0 0 0 0 0 0.08046 0.06141 0.89074 -0.52481 -0.65 0 -3.1383\r\n---\r\n> LYS_141 -4.35766 0.53978 2.96539 0.00572 -0.933 0.00055 -0.94726 0 0 0 -0.52299 0 0 0 0 0 0 0 0 -0.10874 0.07347 0.63595 0.0146 -0.42 0 -3.05421\r\n> PRO_142 -3.75952 0.61814 1.41347 0.00271 -0.36101 0.03657 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05463 0.02426 0.06681 -0.76264 -0.33 0 -3.10583\r\n> LYS_143 -3.50617 0.3933 1.24748 0.00605 -0.0575 0 -0.06763 0 0 0 0 0 0 0 0 0 0 0 0 -0.07092 0.48334 0.5438 0.06112 -0.42 0 -1.38711\r\n> MET_144 -3.97525 0.34749 1.7831 0.00988 -0.59894 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00367 0.00111 1.32634 -0.13886 -0.29 0 -1.53879\r\n> ILE_145 -3.63335 0.8782 0.44018 0.02059 -0.11102 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.06577 0.15713 -0.38066 -0.73 0 -3.63689\r\n> GLY_146 -2.06818 0.10735 1.41086 9e-05 -0.67909 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.22585 -0.07589 0 0.00446 -0.55 0 -1.62453\r\n> GLY_147 -1.29095 0.15487 0.32539 2e-05 -0.14741 0 0 0 0 0 0 0 0 0 0 0 0.00038 0 0 0.18713 -0.11544 0 -1.26399 -0.55 0 -2.7\r\n> ILE_148 -2.49865 0.92556 1.16054 0.02286 0.10427 0 0 0 0 0 0 0 0 0 0 0 0.00144 0 0 0.83527 0.02455 0.71456 1.04088 -0.73 0 1.60128\r\n> GLY_149 -0.90427 0.5077 0.71915 4e-05 0.17051 0 0 0 0 0 0 0 0 0 0 0 0.00624 0 0 0.32932 0.15259 0 0.83364 -0.55 0 1.26492\r\n> GLY_150 -1.12793 1.05144 0.71555 0.00014 0.10569 0 0 0 0 0 0 0 0 0 0 0 0.02703 0 0 0.06697 -0.00541 0 -1.22833 -0.55 0 -0.94484\r\n> PHE_151 -1.99184 1.09138 1.19067 0.0171 0.08745 0 0 0 0 0 0 0 0 0 0 0 0.00191 0 0 1.06869 0.04065 1.1445 1.1085 1.88 0 5.639\r\n> ILE_152 -3.28875 0.52327 0.54612 0.02397 -0.05457 0 0 0 0 0 0 0 0 0 0 0 0.02401 0 0 -0.05593 3.69479 0.20546 -0.09181 -0.73 0 0.79656\r\n> LYS_153 -3.50721 0.30866 2.26637 0.00563 -0.51492 0 -0.13265 0 0 0 0 0 0 0 0 0 0.0075 0 0 0.0302 0.03193 0.92977 0.08873 -0.42 0 -0.906\r\n> VAL_154 -3.15619 0.59933 0.92374 0.01231 -0.43799 0 0 0 0 -0.287 0 0 0 0 0 0 0.01658 0 0 -0.23117 0.10205 0.00766 -0.31635 -0.57 0 -3.33704\r\n> ARG_155 -6.84376 1.09854 3.81658 0.01451 -0.90573 0 -0.12327 0 0 -0.287 -0.4531 0 0 0 0 0 0.03887 0 0 0.07482 0.11233 1.06315 0.02278 -0.77 0 -3.14127\r\n> GLN_156 -4.89885 0.40224 2.61658 0.00609 -1.02843 0 -0.3996 0 0 -0.29775 0 0 0 0 0 0 0 0 0 -0.20082 0.01064 1.84761 0.11506 -0.29 0 -2.11723\r\n> TYR_157 -6.8529 0.58445 2.1481 0.0174 -0.50844 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00366 0.03132 1.03342 -0.15875 0.81 0 -2.89174\r\n> ASP_158 -4.2485 0.22991 3.75892 0.00721 -1.58525 0 -0.63215 0 0 0 -0.52299 0 0 0 0 0 0 0 0 0.08046 0.06141 0.89074 -0.52481 -0.65 0 -3.13506\r\n3605c3605\r\n< LEU_161 -4.1083 0.7035 2.36319 0.01368 -0.56668 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06445 -0.04894 0.31231 -0.31375 -0.66 0 -2.36947\r\n---\r\n> LEU_161 -4.10805 0.7035 2.36306 0.01368 -0.56623 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06445 -0.04894 0.31231 -0.31375 -0.66 0 -2.36889\r\n3607c3607\r\n< GLU_163 -4.87762 0.25076 3.67008 0.00491 -1.44839 0 -0.65154 0 0 0 -0.77982 0 0 0 0 0 0 0 0 0.0511 0.01621 1.81154 -0.012 -0.27 0 -2.23478\r\n---\r\n> GLU_163 -4.88286 0.25076 3.68169 0.00491 -1.44159 0 -0.64292 0 0 0 -0.80178 0 0 0 0 0 0 0 0 0.0511 0.01621 1.81154 -0.012 -0.27 0 -2.23494\r\n3609c3609\r\n< CYS_165 -4.33894 0.82035 1.92078 0.00234 -0.35004 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00069 -0.06556 0.22208 0.06721 0.09 0 -1.63247\r\n---\r\n> CYS_165 -4.34361 0.8204 1.92048 0.00234 -0.34907 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00069 -0.06556 0.22208 0.06721 0.09 0 -1.63642\r\n3614c3614\r\n< ILE_170 -6.04139 1.93843 1.14386 0.02232 -0.4898 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.03204 0.01508 0.16829 0.1397 -0.73 0 -3.80147\r\n---\r\n> ILE_170 -6.04149 1.93843 1.14386 0.02232 -0.4898 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.03204 0.01508 0.16829 0.1397 -0.73 0 -3.80157\r\n3616,3634c3616,3634\r\n< THR_172 -5.06558 1.01012 1.49741 0.01146 -0.65023 0 0.00952 0 0 -0.19544 0 0 0 0 0 0 0 0 0 0.26506 0.20977 0.07876 0.09792 -0.57 0 -3.30124\r\n< VAL_173 -4.16267 0.60508 0.65643 0.01202 -0.1255 0 0 0 0 -0.19544 0 0 0 0 0 0 0 0 0 -0.16532 0.30617 0.00653 -0.24928 -0.57 0 -3.88199\r\n< LEU_174 -5.64559 0.82427 1.56786 0.01312 -1.03052 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06179 0.15301 0.07125 -0.22316 -0.66 0 -4.99156\r\n< VAL_175 -4.374 1.09259 1.03155 0.01168 -0.79535 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14052 0.55858 0.59673 -0.54758 -0.57 0 -3.13632\r\n< GLY_176 -3.43725 0.38187 1.83143 0.00014 -0.64274 0.01893 0 0 0 0 0 0 0 0 0 0 0.082 0 0 0.63911 0.33208 0 0.60066 -0.55 0 -0.74376\r\n< PRO_177 -5.98652 3.16455 1.99807 0.00292 -0.00734 0.2823 0 0 0 0 0 0 0 0 0 0 0.01597 0 0 0.57111 0.14994 0.16282 -0.31235 -0.33 0 -0.28855\r\n< THR_178 -2.59584 0.63481 1.17056 0.0073 0.0059 0.00042 0.04818 0 0 0 -0.44777 0 0 0 0 0 0.042 0 0 0.37733 0.12587 0.0598 0.04304 -0.57 0 -1.09841\r\n< PRO_179 -4.73296 1.95562 1.9412 0.00341 0.0216 0.04249 0 0 0 0 0 0 0 0 0 0 0.02282 0 0 0.01022 0.03808 0.04205 -0.73113 -0.33 0 -1.7166\r\n< VAL_180 -3.48252 0.42785 1.36756 0.02288 0.25656 0 0 0 0 0 0 0 0 0 0 0 0.04948 0 0 -0.24921 -0.06748 0.22414 0.01475 -0.57 0 -2.00599\r\n< ASN_181 -4.00759 0.27283 2.52163 0.00434 -0.12284 0 -0.04477 0 0 -0.96794 0 0 0 0 0 0 0.03886 0 0 0.05023 -0.02544 1.97196 -0.23366 -0.76 0 -1.30237\r\n< ILE_182 -6.2569 1.0486 1.95217 0.02016 -0.83605 0 0 0 0 -0.96794 0 0 0 0 0 0 0.00834 0 0 -0.17274 0.01664 0.26763 -0.30934 -0.73 0 -5.95944\r\n< ILE_183 -5.59858 1.08008 1.3327 0.02549 -0.67162 0 0 0 0 0 0 0 0 0 0 0 0.39503 0 0 -0.17057 0.21704 0.99593 -0.58698 -0.73 0 -3.71147\r\n< GLY_184 -3.21436 0.20081 1.68301 3e-05 -0.65604 0 0 0 0 0 0 0 0 0 0 0 0.02865 0 0 0.15773 0.95292 0 0.71049 -0.55 0 -0.68676\r\n< ARG_185 -9.64825 1.93265 5.47022 0.00916 -1.5547 0 -0.36832 0 0 -0.49187 0 0 0 0 0 0 0.06358 0 0 0.21794 1.74247 1.9886 0.14314 -0.77 0 -1.26538\r\n< ASN_186 -7.21373 1.01875 5.59974 0.00635 -1.04442 0 -0.33351 0 0 -0.01371 -0.58177 0 0 0 0 0 0 0 0 0.00579 -0.05594 0.78355 0.28017 -0.76 0 -2.30873\r\n< LEU_187 -4.91299 0.56305 1.93364 0.01563 -0.1365 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.25884 0.00606 0.20359 -0.14126 -0.66 0 -3.38761\r\n< LEU_188 -6.75381 2.59684 1.00106 0.01223 -0.6615 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.16683 -0.00621 0.29059 -0.21797 -0.66 0 -4.23194\r\n< THR_189 -4.96801 0.64631 3.13233 0.00464 -0.7531 0 -0.21204 0 0 0 0 0 0 0 0 0 0 0 0 -0.258 0.44362 0.02706 0.03606 -0.57 0 -2.47113\r\n< GLN_190 -4.66059 0.44303 2.99029 0.01079 -0.62786 0 -0.33588 0 0 0 0 0 0 0 0 0 0 0 0 -0.33122 -0.03132 2.09744 -0.12324 -0.29 0 -0.85856\r\n---\r\n> THR_172 -5.06447 1.00636 1.49659 0.01146 -0.65003 0 0.00952 0 0 -0.19544 0 0 0 0 0 0 0 0 0 0.26506 0.20977 0.07876 0.09792 -0.57 0 -3.30451\r\n> VAL_173 -4.16238 0.60508 0.65658 0.01202 -0.12575 0 0 0 0 -0.19544 0 0 0 0 0 0 0 0 0 -0.16532 0.30617 0.00653 -0.24928 -0.57 0 -3.88179\r\n> LEU_174 -5.63752 0.84413 1.57108 0.01312 -1.03177 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.06179 0.15301 0.07125 -0.22316 -0.66 0 -4.96164\r\n> VAL_175 -4.3884 1.09732 1.01601 0.01168 -0.80307 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14098 0.52718 0.58612 -0.55171 -0.57 0 -3.21586\r\n> GLY_176 -3.43889 0.38808 1.83236 0.00014 -0.65776 0.02544 0 0 0 0 0 0 0 0 0 0 0.08199 0 0 0.64033 0.3555 0 0.60705 -0.55 0 -0.71577\r\n> PRO_177 -6.00106 3.17613 1.99988 0.00293 0.01599 0.31162 0 0 0 0 0 0 0 0 0 0 0.01726 0 0 0.56666 0.14243 0.15346 -0.30781 -0.33 0 -0.2525\r\n> THR_178 -2.62626 0.60818 1.19976 0.00726 0.00388 7e-05 0.04817 0 0 0 -0.4531 0 0 0 0 0 0.04041 0 0 0.38484 0.11567 0.06212 0.05125 -0.57 0 -1.12777\r\n> PRO_179 -4.89613 2.1495 1.93661 0.00341 -0.0068 0.03408 0 0 0 0 0 0 0 0 0 0 0.0335 0 0 0.03207 0.08837 0.04593 -0.72485 -0.33 0 -1.63433\r\n> VAL_180 -3.04461 0.41319 1.29197 0.02422 0.23667 0 0 0 0 0 0 0 0 0 0 0 0.04649 0 0 -0.24395 -0.08007 0.3643 -0.01268 -0.57 0 -1.57447\r\n> ASN_181 -4.0156 0.30213 2.51539 0.00408 -0.12311 0 -0.03109 0 0 -0.96454 0 0 0 0 0 0 0.08684 0 0 0.06518 0.01576 2.04221 -0.27419 -0.76 0 -1.13696\r\n> ILE_182 -6.31948 1.06815 1.95815 0.02016 -0.84542 0 0 0 0 -0.96454 0 0 0 0 0 0 0.00677 0 0 -0.17643 0.10453 0.28 -0.314 -0.73 0 -5.91211\r\n> ILE_183 -5.74365 1.10394 1.33508 0.02563 -0.67654 0 0 0 0 0 0 0 0 0 0 0 0.38033 0 0 -0.17539 0.23403 1.00495 -0.59721 -0.73 0 -3.83881\r\n> GLY_184 -3.23413 0.21578 1.69583 4e-05 -0.66691 0 0 0 0 0 0 0 0 0 0 0 0.0271 0 0 0.15086 0.9442 0 0.68988 -0.55 0 -0.72736\r\n> ARG_185 -9.61004 1.83782 5.43726 0.00904 -1.55931 0 -0.36945 0 0 -0.47899 0 0 0 0 0 0 0.08439 0 0 0.22007 1.86922 1.8837 0.15247 -0.77 0 -1.29382\r\n> ASN_186 -7.21532 1.03795 5.6042 0.00635 -1.04361 0 -0.33301 0 0 -0.02239 -0.56746 0 0 0 0 0 0 0 0 0.00579 -0.05594 0.78355 0.28017 -0.76 0 -2.27973\r\n> LEU_187 -4.90421 0.56094 1.93415 0.01563 -0.13862 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.25884 0.00606 0.20359 -0.14126 -0.66 0 -3.38255\r\n> LEU_188 -6.75276 2.58976 1.00233 0.01223 -0.66516 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.16683 -0.00621 0.29059 -0.21797 -0.66 0 -4.24035\r\n> THR_189 -4.96602 0.64569 3.12743 0.00464 -0.7497 0 -0.21192 0 0 0 0 0 0 0 0 0 0 0 0 -0.258 0.44362 0.02706 0.03606 -0.57 0 -2.47114\r\n> GLN_190 -4.66053 0.44303 2.99003 0.01079 -0.62802 0 -0.33488 0 0 0 0 0 0 0 0 0 0 0 0 -0.33122 -0.03132 2.09744 -0.12324 -0.29 0 -0.85792\r\n3638c3638\r\n< THR_194 -5.62927 1.28049 2.03963 0.00938 -1.06214 0 -0.19009 0 0 0 0 0 0 0 0 0 0 0 0 -0.12258 0.00944 0.17479 0.10271 -0.57 0 -3.95765\r\n---\r\n> THR_194 -5.62924 1.28049 2.03963 0.00938 -1.06215 0 -0.18951 0 0 0 0 0 0 0 0 0 0 0 0 -0.12258 0.00944 0.17479 0.10271 -0.57 0 -3.95706\r\n3640,3641c3640,3641\r\n< ASN_196 -5.34605 0.31685 3.35339 0.00566 -0.67112 0 -0.44225 0 0 0 -0.35123 0 0 0 0 0 0 0 0 -0.02103 -0.02605 1.90687 0.33112 -0.76 0 -1.70384\r\n< PHE_197 -5.81003 1.68958 2.53927 0.01791 -0.66021 0.00418 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00842 0.13484 1.09761 -0.17274 1.88 0 0.72882\r\n---\r\n> ASN_196 -5.34876 0.3171 3.35466 0.00566 -0.67032 0 -0.44225 0 0 0 -0.34362 0 0 0 0 0 0 0 0 -0.02103 -0.02605 1.90687 0.33112 -0.76 0 -1.69662\r\n> PHE_197 -5.81007 1.68958 2.53927 0.01791 -0.66031 0.00418 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00842 0.13484 1.09761 -0.17274 1.88 0 0.72869\r\n3643,3644c3643,3644\r\n< Rit_199 -11.0481 3.00286 2.64013 0.14927 -0.51672 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -5.77261\r\n< TP3_200 -0.8034 0.03041 0.70281 0 -0.19369 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.26387\r\n---\r\n> Rit_199 -10.9375 3.21283 2.233 0.14927 -0.52594 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -5.86831\r\n> TP3_200 -0.82309 0.02888 0.7302 0 -0.17523 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.23924\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_log /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_log\r\n5009c5009\r\n< protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -537.803 -537.803\r\n---\r\n> protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -537.461 -537.461\r\n5011,5012c5011,5012\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: 508.945\r\n< protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -517.487\r\n---\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy prior to minimizing: 508.907\r\n> protocols.ligand_docking.ligand_options.FinalMinimizer: Energy after minimizing: -516.129\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/ligand_water_docking/ligand_centric_score.sc /home/benchmark/working_dir/master:61988/ligand_water_docking/ligand_centric_score.sc\r\n3c3\r\n< SCORE: -517.487 0.000 0.000 0.000 3.711 0.000 0.000 0.000 0.000 0.000 -802.969 123.367 -84.051 2.266 -20.080 140.545 356.793 -16.403 -133.963 -12.993 -38.737 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.607 0.000 -0.387 0.000 0.000 0.061 1.406 -0.087 0.000 -0.068 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -22.096 0.000 -1.033 0.000 0.700 6.006 5.280 -0.101 0.000 -0.064 0.000 0.000 0.000 0.000 0.000 0.000 -0.682 -11.309 4.952 2.503 1.000 1.000 0.391 5.710 5.049 9.941 0.000 1.213 35.229 -8.235 3.229 9.223 -74.420 ligand_centric_1HXW_input_0001\r\n---\r\n> SCORE: -516.129 0.000 0.000 0.000 3.761 0.000 0.000 0.000 0.000 0.000 -803.265 123.489 -84.024 2.267 -20.034 141.260 356.153 -16.341 -133.865 -12.993 -38.424 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -1.646 0.000 -0.350 0.000 0.000 0.058 1.460 -0.087 0.000 -0.068 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -21.875 0.000 -1.052 0.000 0.705 6.426 4.466 -0.101 0.000 -0.064 0.000 0.000 0.000 0.000 0.000 0.000 -0.634 -11.495 5.166 2.446 1.000 1.000 0.391 5.710 5.259 9.693 0.000 1.213 35.818 -8.037 3.252 9.275 -74.420 ligand_centric_1HXW_input_0001\r\n",
"state": "failed"
},
"longest_continuous_polar_segment_filter": {
"log": "",
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},
"loop_creation": {
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"log": "",
"state": "passed"
},
"loop_hash": {
"log": "",
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},
"loop_modeling": {
"log": "",
"state": "passed"
},
"make_and_perturb_bundle_multirepeat": {
"log": "",
"state": "passed"
},
"make_exemplar": {
"log": "",
"state": "passed"
},
"make_mainchain_potential": {
"log": "",
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},
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"log": "",
"state": "passed"
},
"make_mainchain_potential_symm_preproline": {
"log": "",
"state": "passed"
},
"make_rot_lib": {
"log": "",
"state": "passed"
},
"make_symmdef_file": {
"log": "",
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},
"match_1c2t": {
"log": "",
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},
"match_1n9l": {
"log": "",
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},
"match_6cpa": {
"log": "",
"state": "passed"
},
"match_xml": {
"log": "",
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},
"measure_lcaa_radii": {
"log": "",
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},
"membrane_abinitio": {
"log": "",
"state": "passed"
},
"membrane_relax": {
"log": "",
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},
"membrane_relax_hbond": {
"log": "",
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},
"metal_setup": {
"log": "",
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},
"metalloprotein_abrelax": {
"log": "",
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},
"metalloprotein_broker": {
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},
"metropolis_hastings": {
"log": "",
"state": "passed"
},
"mf_fixbb_des": {
"log": "",
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},
"mf_fixbb_sc": {
"log": "",
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},
"mf_flexbb_sc": {
"log": "",
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},
"mg_modeler": {
"log": "",
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},
"mg_modeler_lores": {
"log": "",
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"log": "",
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"log": "",
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},
"mm_params": {
"log": "",
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},
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"molfile_to_params": {
"log": "",
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},
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},
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},
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
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},
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"log": "",
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},
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"state": "passed"
},
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},
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"log": "",
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},
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"log": "",
"state": "passed"
},
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"state": "passed"
},
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"log": "",
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},
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"log": "",
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},
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"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/dock_score.sc and /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/dock_score.sc differ\r\nFiles /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/dock_ZIPKOA_0001.pdb and /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/dock_ZIPKOA_0001.pdb differ\r\nFiles /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/log and /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/dock_score.sc /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/dock_score.sc\r\n3c3\r\n< SCORE: -38.334 0.000 0.000 0.416 -38.334 0.000 -52.854 0.000 -3.970 -17.420 38.753 6.227 8.939 0.000 0.000 -18.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 dock_ZIPKOA_0001\r\n---\r\n> SCORE: -38.451 0.000 0.000 0.417 -38.451 0.000 -53.001 0.000 -4.055 -17.415 39.101 6.072 8.843 0.000 0.000 -17.995 0.000 0.000 0.000 0.000 0.000 0.000 0.000 dock_ZIPKOA_0001\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/dock_ZIPKOA_0001.pdb /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/dock_ZIPKOA_0001.pdb\r\n2,2416c2,2416\r\n< CRYST1 14.646 5.346 17.683 90.00 97.05 90.00 P 1 21/n 1 \r\n< HETATM 1 S1 LG1 X 1 -1.461 1.723 0.972 1.00 0.00 S \r\n< HETATM 2 S2 LG1 X 1 -2.642 3.937 -0.600 1.00 0.00 S \r\n< HETATM 3 N1 LG1 X 1 -3.534 3.005 1.740 1.00 0.00 N \r\n< HETATM 4 O1 LG1 X 1 -6.560 4.270 0.472 1.00 0.00 O \r\n< HETATM 5 C1 LG1 X 1 -2.198 1.222 2.481 1.00 0.00 C \r\n< HETATM 6 O2 LG1 X 1 -4.155 1.943 3.662 1.00 0.00 O \r\n< HETATM 7 C2 LG1 X 1 -2.638 2.965 0.703 1.00 0.00 C \r\n< HETATM 8 C3 LG1 X 1 -4.656 3.917 1.751 1.00 0.00 C \r\n< HETATM 9 C4 LG1 X 1 1.099 -3.204 4.045 1.00 0.00 C \r\n< HETATM 10 C5 LG1 X 1 -0.661 -1.442 4.461 1.00 0.00 C \r\n< HETATM 11 C6 LG1 X 1 -3.385 2.045 2.737 1.00 0.00 C \r\n< HETATM 12 C7 LG1 X 1 0.333 -2.419 4.895 1.00 0.00 C \r\n< HETATM 13 C8 LG1 X 1 -0.726 -0.629 3.391 1.00 0.00 C \r\n< HETATM 14 C9 LG1 X 1 -5.824 3.348 1.008 1.00 0.00 C \r\n< HETATM 15 C10 LG1 X 1 0.518 -2.594 6.250 1.00 0.00 C \r\n< HETATM 16 C11 LG1 X 1 1.440 -3.484 6.750 1.00 0.00 C \r\n< HETATM 17 O3 LG1 X 1 -6.036 2.157 0.941 1.00 0.00 O \r\n< HETATM 18 C12 LG1 X 1 2.005 -4.103 4.543 1.00 0.00 C \r\n< HETATM 19 C13 LG1 X 1 0.319 -0.570 2.314 1.00 0.00 C \r\n< HETATM 20 C14 LG1 X 1 2.171 -4.254 5.888 1.00 0.00 C \r\n< HETATM 21 C15 LG1 X 1 -1.842 0.271 3.349 1.00 0.00 C \r\n< HETATM 22 H13 LG1 X 1 -7.181 3.938 0.039 1.00 0.00 H \r\n< HETATM 23 H1 LG1 X 1 -4.392 4.756 1.341 1.00 0.00 H \r\n< HETATM 24 H2 LG1 X 1 -4.914 4.098 2.668 1.00 0.00 H \r\n< HETATM 25 H3 LG1 X 1 0.995 -3.118 3.126 1.00 0.00 H \r\n< HETATM 26 H4 LG1 X 1 -1.390 -1.367 5.035 1.00 0.00 H \r\n< HETATM 27 H5 LG1 X 1 0.004 -2.095 6.844 1.00 0.00 H \r\n< HETATM 28 H6 LG1 X 1 1.567 -3.563 7.667 1.00 0.00 H \r\n< HETATM 29 H7 LG1 X 1 2.513 -4.615 3.956 1.00 0.00 H \r\n< HETATM 30 H8 LG1 X 1 1.136 -0.958 2.639 1.00 0.00 H \r\n< HETATM 31 H9 LG1 X 1 0.474 0.344 2.068 1.00 0.00 H \r\n< HETATM 32 H10 LG1 X 1 0.014 -1.062 1.547 1.00 0.00 H \r\n< HETATM 33 H11 LG1 X 1 2.778 -4.878 6.215 1.00 0.00 H \r\n< HETATM 34 H12 LG1 X 1 -2.431 0.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 36 S1 LG1 A 1 -16.112 -3.626 0.972 1.00 0.00 S \r\n< HETATM 37 S2 LG1 A 1 -17.293 -1.413 -0.600 1.00 0.00 S \r\n< HETATM 38 N1 LG1 A 1 -18.185 -2.345 1.740 1.00 0.00 N \r\n< HETATM 39 O1 LG1 A 1 -21.211 -1.079 0.472 1.00 0.00 O \r\n< HETATM 40 C1 LG1 A 1 -16.849 -4.127 2.481 1.00 0.00 C \r\n< HETATM 41 O2 LG1 A 1 -18.806 -3.406 3.662 1.00 0.00 O \r\n< HETATM 42 C2 LG1 A 1 -17.288 -2.385 0.703 1.00 0.00 C \r\n< HETATM 43 C3 LG1 A 1 -19.307 -1.433 1.751 1.00 0.00 C \r\n< HETATM 44 C4 LG1 A 1 -13.552 -8.553 4.045 1.00 0.00 C \r\n< HETATM 45 C5 LG1 A 1 -15.312 -6.792 4.461 1.00 0.00 C \r\n< HETATM 46 C6 LG1 A 1 -18.036 -3.305 2.737 1.00 0.00 C \r\n< HETATM 47 C7 LG1 A 1 -14.318 -7.769 4.895 1.00 0.00 C \r\n< HETATM 48 C8 LG1 A 1 -15.377 -5.979 3.391 1.00 0.00 C \r\n< HETATM 49 C9 LG1 A 1 -20.475 -2.002 1.008 1.00 0.00 C \r\n< HETATM 50 C10 LG1 A 1 -14.133 -7.943 6.250 1.00 0.00 C \r\n< HETATM 51 C11 LG1 A 1 -13.210 -8.834 6.750 1.00 0.00 C \r\n< HETATM 52 O3 LG1 A 1 -20.687 -3.192 0.941 1.00 0.00 O \r\n< HETATM 53 C12 LG1 A 1 -12.646 -9.452 4.543 1.00 0.00 C \r\n< HETATM 54 C13 LG1 A 1 -14.332 -5.920 2.314 1.00 0.00 C \r\n< HETATM 55 C14 LG1 A 1 -12.480 -9.604 5.888 1.00 0.00 C \r\n< HETATM 56 C15 LG1 A 1 -16.493 -5.078 3.349 1.00 0.00 C \r\n< HETATM 57 H13 LG1 A 1 -21.832 -1.411 0.039 1.00 0.00 H \r\n< HETATM 58 H1 LG1 A 1 -19.043 -0.594 1.341 1.00 0.00 H \r\n< HETATM 59 H2 LG1 A 1 -19.565 -1.252 2.668 1.00 0.00 H \r\n< HETATM 60 H3 LG1 A 1 -13.656 -8.468 3.126 1.00 0.00 H \r\n< HETATM 61 H4 LG1 A 1 -16.040 -6.717 5.035 1.00 0.00 H \r\n< HETATM 62 H5 LG1 A 1 -14.646 -7.444 6.844 1.00 0.00 H \r\n< HETATM 63 H6 LG1 A 1 -13.084 -8.912 7.667 1.00 0.00 H \r\n< HETATM 64 H7 LG1 A 1 -12.138 -9.965 3.956 1.00 0.00 H \r\n< HETATM 65 H8 LG1 A 1 -13.515 -6.307 2.639 1.00 0.00 H \r\n< HETATM 66 H9 LG1 A 1 -14.177 -5.005 2.068 1.00 0.00 H \r\n< HETATM 67 H10 LG1 A 1 -14.636 -6.411 1.547 1.00 0.00 H \r\n< HETATM 68 H11 LG1 A 1 -11.873 -10.227 6.215 1.00 0.00 H \r\n< HETATM 69 H12 LG1 A 1 -17.082 -5.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 71 S1 LG1 B 1 -16.112 1.723 0.972 1.00 0.00 S \r\n< HETATM 72 S2 LG1 B 1 -17.293 3.937 -0.600 1.00 0.00 S \r\n< HETATM 73 N1 LG1 B 1 -18.185 3.005 1.740 1.00 0.00 N \r\n< HETATM 74 O1 LG1 B 1 -21.211 4.270 0.472 1.00 0.00 O \r\n< HETATM 75 C1 LG1 B 1 -16.849 1.222 2.481 1.00 0.00 C \r\n< HETATM 76 O2 LG1 B 1 -18.806 1.943 3.662 1.00 0.00 O \r\n< HETATM 77 C2 LG1 B 1 -17.288 2.965 0.703 1.00 0.00 C \r\n< HETATM 78 C3 LG1 B 1 -19.307 3.917 1.751 1.00 0.00 C \r\n< HETATM 79 C4 LG1 B 1 -13.552 -3.204 4.045 1.00 0.00 C \r\n< HETATM 80 C5 LG1 B 1 -15.312 -1.442 4.461 1.00 0.00 C \r\n< HETATM 81 C6 LG1 B 1 -18.036 2.045 2.737 1.00 0.00 C \r\n< HETATM 82 C7 LG1 B 1 -14.318 -2.419 4.895 1.00 0.00 C \r\n< HETATM 83 C8 LG1 B 1 -15.377 -0.629 3.391 1.00 0.00 C \r\n< HETATM 84 C9 LG1 B 1 -20.475 3.348 1.008 1.00 0.00 C \r\n< HETATM 85 C10 LG1 B 1 -14.133 -2.594 6.250 1.00 0.00 C \r\n< HETATM 86 C11 LG1 B 1 -13.210 -3.484 6.750 1.00 0.00 C \r\n< HETATM 87 O3 LG1 B 1 -20.687 2.157 0.941 1.00 0.00 O \r\n< HETATM 88 C12 LG1 B 1 -12.646 -4.103 4.543 1.00 0.00 C \r\n< HETATM 89 C13 LG1 B 1 -14.332 -0.570 2.314 1.00 0.00 C \r\n< HETATM 90 C14 LG1 B 1 -12.480 -4.254 5.888 1.00 0.00 C \r\n< HETATM 91 C15 LG1 B 1 -16.493 0.271 3.349 1.00 0.00 C \r\n< HETATM 92 H13 LG1 B 1 -21.832 3.938 0.039 1.00 0.00 H \r\n< HETATM 93 H1 LG1 B 1 -19.043 4.756 1.341 1.00 0.00 H \r\n< HETATM 94 H2 LG1 B 1 -19.565 4.098 2.668 1.00 0.00 H \r\n< HETATM 95 H3 LG1 B 1 -13.656 -3.118 3.126 1.00 0.00 H \r\n< HETATM 96 H4 LG1 B 1 -16.040 -1.367 5.035 1.00 0.00 H \r\n< HETATM 97 H5 LG1 B 1 -14.646 -2.095 6.844 1.00 0.00 H \r\n< HETATM 98 H6 LG1 B 1 -13.084 -3.563 7.667 1.00 0.00 H \r\n< HETATM 99 H7 LG1 B 1 -12.138 -4.615 3.956 1.00 0.00 H \r\n< HETATM 100 H8 LG1 B 1 -13.515 -0.958 2.639 1.00 0.00 H \r\n< HETATM 101 H9 LG1 B 1 -14.177 0.344 2.068 1.00 0.00 H \r\n< HETATM 102 H10 LG1 B 1 -14.636 -1.062 1.547 1.00 0.00 H \r\n< HETATM 103 H11 LG1 B 1 -11.873 -4.878 6.215 1.00 0.00 H \r\n< HETATM 104 H12 LG1 B 1 -17.082 0.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 106 S1 LG1 C 1 -13.942 7.073 -16.579 1.00 0.00 S \r\n< HETATM 107 S2 LG1 C 1 -15.123 9.286 -18.152 1.00 0.00 S \r\n< HETATM 108 N1 LG1 C 1 -16.015 8.354 -15.811 1.00 0.00 N \r\n< HETATM 109 O1 LG1 C 1 -19.040 9.620 -17.080 1.00 0.00 O \r\n< HETATM 110 C1 LG1 C 1 -14.678 6.571 -15.070 1.00 0.00 C \r\n< HETATM 111 O2 LG1 C 1 -16.636 7.293 -13.889 1.00 0.00 O \r\n< HETATM 112 C2 LG1 C 1 -15.118 8.314 -16.849 1.00 0.00 C \r\n< HETATM 113 C3 LG1 C 1 -17.136 9.266 -15.801 1.00 0.00 C \r\n< HETATM 114 C4 LG1 C 1 -11.382 2.146 -13.506 1.00 0.00 C \r\n< HETATM 115 C5 LG1 C 1 -13.142 3.907 -13.090 1.00 0.00 C \r\n< HETATM 116 C6 LG1 C 1 -15.865 7.394 -14.815 1.00 0.00 C \r\n< HETATM 117 C7 LG1 C 1 -12.148 2.930 -12.656 1.00 0.00 C \r\n< HETATM 118 C8 LG1 C 1 -13.207 4.720 -14.160 1.00 0.00 C \r\n< HETATM 119 C9 LG1 C 1 -18.305 8.697 -16.543 1.00 0.00 C \r\n< HETATM 120 C10 LG1 C 1 -11.962 2.756 -11.302 1.00 0.00 C \r\n< HETATM 121 C11 LG1 C 1 -11.040 1.865 -10.802 1.00 0.00 C \r\n< HETATM 122 O3 LG1 C 1 -18.517 7.506 -16.611 1.00 0.00 O \r\n< HETATM 123 C12 LG1 C 1 -10.475 1.247 -13.008 1.00 0.00 C \r\n< HETATM 124 C13 LG1 C 1 -12.162 4.779 -15.238 1.00 0.00 C \r\n< HETATM 125 C14 LG1 C 1 -10.310 1.095 -11.664 1.00 0.00 C \r\n< HETATM 126 C15 LG1 C 1 -14.322 5.621 -14.203 1.00 0.00 C \r\n< HETATM 127 H13 LG1 C 1 -19.662 9.287 -17.512 1.00 0.00 H \r\n< HETATM 128 H1 LG1 C 1 -16.873 10.105 -16.210 1.00 0.00 H \r\n< HETATM 129 H2 LG1 C 1 -17.394 9.447 -14.884 1.00 0.00 H \r\n< HETATM 130 H3 LG1 C 1 -11.485 2.231 -14.426 1.00 0.00 H \r\n< HETATM 131 H4 LG1 C 1 -13.870 3.982 -12.517 1.00 0.00 H \r\n< HETATM 132 H5 LG1 C 1 -12.476 3.255 -10.708 1.00 0.00 H \r\n< HETATM 133 H6 LG1 C 1 -10.914 1.786 -9.885 1.00 0.00 H \r\n< HETATM 134 H7 LG1 C 1 -9.968 0.734 -13.595 1.00 0.00 H \r\n< HETATM 135 H8 LG1 C 1 -11.345 4.392 -14.913 1.00 0.00 H \r\n< HETATM 136 H9 LG1 C 1 -12.007 5.694 -15.484 1.00 0.00 H \r\n< HETATM 137 H10 LG1 C 1 -12.466 4.288 -16.005 1.00 0.00 H \r\n< HETATM 138 H11 LG1 C 1 -9.702 0.472 -11.336 1.00 0.00 H \r\n< HETATM 139 H12 LG1 C 1 -14.911 5.524 -13.488 1.00 0.00 H \r\n< TER \r\n< HETATM 141 S1 LG1 D 1 -16.112 7.073 0.972 1.00 0.00 S \r\n< HETATM 142 S2 LG1 D 1 -17.293 9.286 -0.600 1.00 0.00 S \r\n< HETATM 143 N1 LG1 D 1 -18.185 8.354 1.740 1.00 0.00 N \r\n< HETATM 144 O1 LG1 D 1 -21.211 9.620 0.472 1.00 0.00 O \r\n< HETATM 145 C1 LG1 D 1 -16.849 6.571 2.481 1.00 0.00 C \r\n< HETATM 146 O2 LG1 D 1 -18.806 7.293 3.662 1.00 0.00 O \r\n< HETATM 147 C2 LG1 D 1 -17.288 8.314 0.703 1.00 0.00 C \r\n< HETATM 148 C3 LG1 D 1 -19.307 9.266 1.751 1.00 0.00 C \r\n< HETATM 149 C4 LG1 D 1 -13.552 2.146 4.045 1.00 0.00 C \r\n< HETATM 150 C5 LG1 D 1 -15.312 3.907 4.461 1.00 0.00 C \r\n< HETATM 151 C6 LG1 D 1 -18.036 7.394 2.737 1.00 0.00 C \r\n< HETATM 152 C7 LG1 D 1 -14.318 2.930 4.895 1.00 0.00 C \r\n< HETATM 153 C8 LG1 D 1 -15.377 4.720 3.391 1.00 0.00 C \r\n< HETATM 154 C9 LG1 D 1 -20.475 8.697 1.008 1.00 0.00 C \r\n< HETATM 155 C10 LG1 D 1 -14.133 2.756 6.250 1.00 0.00 C \r\n< HETATM 156 C11 LG1 D 1 -13.210 1.865 6.750 1.00 0.00 C \r\n< HETATM 157 O3 LG1 D 1 -20.687 7.506 0.941 1.00 0.00 O \r\n< HETATM 158 C12 LG1 D 1 -12.646 1.247 4.543 1.00 0.00 C \r\n< HETATM 159 C13 LG1 D 1 -14.332 4.779 2.314 1.00 0.00 C \r\n< HETATM 160 C14 LG1 D 1 -12.480 1.095 5.888 1.00 0.00 C \r\n< HETATM 161 C15 LG1 D 1 -16.493 5.621 3.349 1.00 0.00 C \r\n< HETATM 162 H13 LG1 D 1 -21.832 9.287 0.039 1.00 0.00 H \r\n< HETATM 163 H1 LG1 D 1 -19.043 10.105 1.341 1.00 0.00 H \r\n< HETATM 164 H2 LG1 D 1 -19.565 9.447 2.668 1.00 0.00 H \r\n< HETATM 165 H3 LG1 D 1 -13.656 2.231 3.126 1.00 0.00 H \r\n< HETATM 166 H4 LG1 D 1 -16.040 3.982 5.035 1.00 0.00 H \r\n< HETATM 167 H5 LG1 D 1 -14.646 3.255 6.844 1.00 0.00 H \r\n< HETATM 168 H6 LG1 D 1 -13.084 1.786 7.667 1.00 0.00 H \r\n< HETATM 169 H7 LG1 D 1 -12.138 0.734 3.956 1.00 0.00 H \r\n< HETATM 170 H8 LG1 D 1 -13.515 4.392 2.639 1.00 0.00 H \r\n< HETATM 171 H9 LG1 D 1 -14.177 5.694 2.068 1.00 0.00 H \r\n< HETATM 172 H10 LG1 D 1 -14.636 4.288 1.547 1.00 0.00 H \r\n< HETATM 173 H11 LG1 D 1 -11.873 0.472 6.215 1.00 0.00 H \r\n< HETATM 174 H12 LG1 D 1 -17.082 5.524 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 176 S1 LG1 E 1 -16.112 12.422 0.972 1.00 0.00 S \r\n< HETATM 177 S2 LG1 E 1 -17.293 14.635 -0.600 1.00 0.00 S \r\n< HETATM 178 N1 LG1 E 1 -18.185 13.704 1.740 1.00 0.00 N \r\n< HETATM 179 O1 LG1 E 1 -21.211 14.969 0.472 1.00 0.00 O \r\n< HETATM 180 C1 LG1 E 1 -16.849 11.921 2.481 1.00 0.00 C \r\n< HETATM 181 O2 LG1 E 1 -18.806 12.642 3.662 1.00 0.00 O \r\n< HETATM 182 C2 LG1 E 1 -17.288 13.663 0.703 1.00 0.00 C \r\n< HETATM 183 C3 LG1 E 1 -19.307 14.616 1.751 1.00 0.00 C \r\n< HETATM 184 C4 LG1 E 1 -13.552 7.495 4.045 1.00 0.00 C \r\n< HETATM 185 C5 LG1 E 1 -15.312 9.256 4.461 1.00 0.00 C \r\n< HETATM 186 C6 LG1 E 1 -18.036 12.743 2.737 1.00 0.00 C \r\n< HETATM 187 C7 LG1 E 1 -14.318 8.279 4.895 1.00 0.00 C \r\n< HETATM 188 C8 LG1 E 1 -15.377 10.070 3.391 1.00 0.00 C \r\n< HETATM 189 C9 LG1 E 1 -20.475 14.046 1.008 1.00 0.00 C \r\n< HETATM 190 C10 LG1 E 1 -14.133 8.105 6.250 1.00 0.00 C \r\n< HETATM 191 C11 LG1 E 1 -13.210 7.214 6.750 1.00 0.00 C \r\n< HETATM 192 O3 LG1 E 1 -20.687 12.856 0.941 1.00 0.00 O \r\n< HETATM 193 C12 LG1 E 1 -12.646 6.596 4.543 1.00 0.00 C \r\n< HETATM 194 C13 LG1 E 1 -14.332 10.129 2.314 1.00 0.00 C \r\n< HETATM 195 C14 LG1 E 1 -12.480 6.445 5.888 1.00 0.00 C \r\n< HETATM 196 C15 LG1 E 1 -16.493 10.970 3.349 1.00 0.00 C \r\n< HETATM 197 H13 LG1 E 1 -21.832 14.637 0.039 1.00 0.00 H \r\n< HETATM 198 H1 LG1 E 1 -19.043 15.454 1.341 1.00 0.00 H \r\n< HETATM 199 H2 LG1 E 1 -19.565 14.796 2.668 1.00 0.00 H \r\n< HETATM 200 H3 LG1 E 1 -13.656 7.581 3.126 1.00 0.00 H \r\n< HETATM 201 H4 LG1 E 1 -16.040 9.331 5.035 1.00 0.00 H \r\n< HETATM 202 H5 LG1 E 1 -14.646 8.604 6.844 1.00 0.00 H \r\n< HETATM 203 H6 LG1 E 1 -13.084 7.136 7.667 1.00 0.00 H \r\n< HETATM 204 H7 LG1 E 1 -12.138 6.084 3.956 1.00 0.00 H \r\n< HETATM 205 H8 LG1 E 1 -13.515 9.741 2.639 1.00 0.00 H \r\n< HETATM 206 H9 LG1 E 1 -14.177 11.043 2.068 1.00 0.00 H \r\n< HETATM 207 H10 LG1 E 1 -14.636 9.637 1.547 1.00 0.00 H \r\n< HETATM 208 H11 LG1 E 1 -11.873 5.821 6.215 1.00 0.00 H \r\n< HETATM 209 H12 LG1 E 1 -17.082 10.873 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 211 S1 LG1 F 1 -1.461 -8.976 0.972 1.00 0.00 S \r\n< HETATM 212 S2 LG1 F 1 -2.642 -6.762 -0.600 1.00 0.00 S \r\n< HETATM 213 N1 LG1 F 1 -3.534 -7.694 1.740 1.00 0.00 N \r\n< HETATM 214 O1 LG1 F 1 -6.560 -6.428 0.472 1.00 0.00 O \r\n< HETATM 215 C1 LG1 F 1 -2.198 -9.477 2.481 1.00 0.00 C \r\n< HETATM 216 O2 LG1 F 1 -4.155 -8.755 3.662 1.00 0.00 O \r\n< HETATM 217 C2 LG1 F 1 -2.638 -7.734 0.703 1.00 0.00 C \r\n< HETATM 218 C3 LG1 F 1 -4.656 -6.782 1.751 1.00 0.00 C \r\n< HETATM 219 C4 LG1 F 1 1.099 -13.903 4.045 1.00 0.00 C \r\n< HETATM 220 C5 LG1 F 1 -0.661 -12.141 4.461 1.00 0.00 C \r\n< HETATM 221 C6 LG1 F 1 -3.385 -8.654 2.737 1.00 0.00 C \r\n< HETATM 222 C7 LG1 F 1 0.333 -13.118 4.895 1.00 0.00 C \r\n< HETATM 223 C8 LG1 F 1 -0.726 -11.328 3.391 1.00 0.00 C \r\n< HETATM 224 C9 LG1 F 1 -5.824 -7.351 1.008 1.00 0.00 C \r\n< HETATM 225 C10 LG1 F 1 0.518 -13.292 6.250 1.00 0.00 C \r\n< HETATM 226 C11 LG1 F 1 1.440 -14.183 6.750 1.00 0.00 C \r\n< HETATM 227 O3 LG1 F 1 -6.036 -8.542 0.941 1.00 0.00 O \r\n< HETATM 228 C12 LG1 F 1 2.005 -14.801 4.543 1.00 0.00 C \r\n< HETATM 229 C13 LG1 F 1 0.319 -11.269 2.314 1.00 0.00 C \r\n< HETATM 230 C14 LG1 F 1 2.171 -14.953 5.888 1.00 0.00 C \r\n< HETATM 231 C15 LG1 F 1 -1.842 -10.427 3.349 1.00 0.00 C \r\n< HETATM 232 H13 LG1 F 1 -7.181 -6.761 0.039 1.00 0.00 H \r\n< HETATM 233 H1 LG1 F 1 -4.392 -5.943 1.341 1.00 0.00 H \r\n< HETATM 234 H2 LG1 F 1 -4.914 -6.601 2.668 1.00 0.00 H \r\n< HETATM 235 H3 LG1 F 1 0.995 -13.817 3.126 1.00 0.00 H \r\n< HETATM 236 H4 LG1 F 1 -1.390 -12.066 5.035 1.00 0.00 H \r\n< HETATM 237 H5 LG1 F 1 0.004 -12.793 6.844 1.00 0.00 H \r\n< HETATM 238 H6 LG1 F 1 1.567 -14.262 7.667 1.00 0.00 H \r\n< HETATM 239 H7 LG1 F 1 2.513 -15.314 3.956 1.00 0.00 H \r\n< HETATM 240 H8 LG1 F 1 1.136 -11.657 2.639 1.00 0.00 H \r\n< HETATM 241 H9 LG1 F 1 0.474 -10.354 2.068 1.00 0.00 H \r\n< HETATM 242 H10 LG1 F 1 0.014 -11.760 1.547 1.00 0.00 H \r\n< HETATM 243 H11 LG1 F 1 2.778 -15.576 6.215 1.00 0.00 H \r\n< HETATM 244 H12 LG1 F 1 -2.431 -10.524 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 246 S1 LG1 G 1 0.709 -3.626 -16.579 1.00 0.00 S \r\n< HETATM 247 S2 LG1 G 1 -0.472 -1.413 -18.152 1.00 0.00 S \r\n< HETATM 248 N1 LG1 G 1 -1.364 -2.345 -15.811 1.00 0.00 N \r\n< HETATM 249 O1 LG1 G 1 -4.390 -1.079 -17.080 1.00 0.00 O \r\n< HETATM 250 C1 LG1 G 1 -0.028 -4.127 -15.070 1.00 0.00 C \r\n< HETATM 251 O2 LG1 G 1 -1.985 -3.406 -13.889 1.00 0.00 O \r\n< HETATM 252 C2 LG1 G 1 -0.467 -2.385 -16.849 1.00 0.00 C \r\n< HETATM 253 C3 LG1 G 1 -2.485 -1.433 -15.801 1.00 0.00 C \r\n< HETATM 254 C4 LG1 G 1 3.269 -8.553 -13.506 1.00 0.00 C \r\n< HETATM 255 C5 LG1 G 1 1.509 -6.792 -13.090 1.00 0.00 C \r\n< HETATM 256 C6 LG1 G 1 -1.215 -3.305 -14.815 1.00 0.00 C \r\n< HETATM 257 C7 LG1 G 1 2.503 -7.769 -12.656 1.00 0.00 C \r\n< HETATM 258 C8 LG1 G 1 1.444 -5.979 -14.160 1.00 0.00 C \r\n< HETATM 259 C9 LG1 G 1 -3.654 -2.002 -16.543 1.00 0.00 C \r\n< HETATM 260 C10 LG1 G 1 2.688 -7.943 -11.302 1.00 0.00 C \r\n< HETATM 261 C11 LG1 G 1 3.611 -8.834 -10.802 1.00 0.00 C \r\n< HETATM 262 O3 LG1 G 1 -3.866 -3.192 -16.611 1.00 0.00 O \r\n< HETATM 263 C12 LG1 G 1 4.175 -9.452 -13.008 1.00 0.00 C \r\n< HETATM 264 C13 LG1 G 1 2.489 -5.920 -15.238 1.00 0.00 C \r\n< HETATM 265 C14 LG1 G 1 4.341 -9.604 -11.664 1.00 0.00 C \r\n< HETATM 266 C15 LG1 G 1 0.329 -5.078 -14.203 1.00 0.00 C \r\n< HETATM 267 H13 LG1 G 1 -5.011 -1.411 -17.512 1.00 0.00 H \r\n< HETATM 268 H1 LG1 G 1 -2.222 -0.594 -16.210 1.00 0.00 H \r\n< HETATM 269 H2 LG1 G 1 -2.744 -1.252 -14.884 1.00 0.00 H \r\n< HETATM 270 H3 LG1 G 1 3.166 -8.468 -14.426 1.00 0.00 H \r\n< HETATM 271 H4 LG1 G 1 0.781 -6.717 -12.517 1.00 0.00 H \r\n< HETATM 272 H5 LG1 G 1 2.175 -7.444 -10.708 1.00 0.00 H \r\n< HETATM 273 H6 LG1 G 1 3.737 -8.912 -9.885 1.00 0.00 H \r\n< HETATM 274 H7 LG1 G 1 4.683 -9.965 -13.595 1.00 0.00 H \r\n< HETATM 275 H8 LG1 G 1 3.306 -6.307 -14.913 1.00 0.00 H \r\n< HETATM 276 H9 LG1 G 1 2.644 -5.005 -15.484 1.00 0.00 H \r\n< HETATM 277 H10 LG1 G 1 2.185 -6.411 -16.005 1.00 0.00 H \r\n< HETATM 278 H11 LG1 G 1 4.948 -10.227 -11.336 1.00 0.00 H \r\n< HETATM 279 H12 LG1 G 1 -0.261 -5.175 -13.488 1.00 0.00 H \r\n< TER \r\n< HETATM 281 S1 LG1 H 1 -1.461 -3.626 0.972 1.00 0.00 S \r\n< HETATM 282 S2 LG1 H 1 -2.642 -1.413 -0.600 1.00 0.00 S \r\n< HETATM 283 N1 LG1 H 1 -3.534 -2.345 1.740 1.00 0.00 N \r\n< HETATM 284 O1 LG1 H 1 -6.560 -1.079 0.472 1.00 0.00 O \r\n< HETATM 285 C1 LG1 H 1 -2.198 -4.127 2.481 1.00 0.00 C \r\n< HETATM 286 O2 LG1 H 1 -4.155 -3.406 3.662 1.00 0.00 O \r\n< HETATM 287 C2 LG1 H 1 -2.638 -2.385 0.703 1.00 0.00 C \r\n< HETATM 288 C3 LG1 H 1 -4.656 -1.433 1.751 1.00 0.00 C \r\n< HETATM 289 C4 LG1 H 1 1.099 -8.553 4.045 1.00 0.00 C \r\n< HETATM 290 C5 LG1 H 1 -0.661 -6.792 4.461 1.00 0.00 C \r\n< HETATM 291 C6 LG1 H 1 -3.385 -3.305 2.737 1.00 0.00 C \r\n< HETATM 292 C7 LG1 H 1 0.333 -7.769 4.895 1.00 0.00 C \r\n< HETATM 293 C8 LG1 H 1 -0.726 -5.979 3.391 1.00 0.00 C \r\n< HETATM 294 C9 LG1 H 1 -5.824 -2.002 1.008 1.00 0.00 C \r\n< HETATM 295 C10 LG1 H 1 0.518 -7.943 6.250 1.00 0.00 C \r\n< HETATM 296 C11 LG1 H 1 1.440 -8.834 6.750 1.00 0.00 C \r\n< HETATM 297 O3 LG1 H 1 -6.036 -3.192 0.941 1.00 0.00 O \r\n< HETATM 298 C12 LG1 H 1 2.005 -9.452 4.543 1.00 0.00 C \r\n< HETATM 299 C13 LG1 H 1 0.319 -5.920 2.314 1.00 0.00 C \r\n< HETATM 300 C14 LG1 H 1 2.171 -9.604 5.888 1.00 0.00 C \r\n< HETATM 301 C15 LG1 H 1 -1.842 -5.078 3.349 1.00 0.00 C \r\n< HETATM 302 H13 LG1 H 1 -7.181 -1.411 0.039 1.00 0.00 H \r\n< HETATM 303 H1 LG1 H 1 -4.392 -0.594 1.341 1.00 0.00 H \r\n< HETATM 304 H2 LG1 H 1 -4.914 -1.252 2.668 1.00 0.00 H \r\n< HETATM 305 H3 LG1 H 1 0.995 -8.468 3.126 1.00 0.00 H \r\n< HETATM 306 H4 LG1 H 1 -1.390 -6.717 5.035 1.00 0.00 H \r\n< HETATM 307 H5 LG1 H 1 0.004 -7.444 6.844 1.00 0.00 H \r\n< HETATM 308 H6 LG1 H 1 1.567 -8.912 7.667 1.00 0.00 H \r\n< HETATM 309 H7 LG1 H 1 2.513 -9.965 3.956 1.00 0.00 H \r\n< HETATM 310 H8 LG1 H 1 1.136 -6.307 2.639 1.00 0.00 H \r\n< HETATM 311 H9 LG1 H 1 0.474 -5.005 2.068 1.00 0.00 H \r\n< HETATM 312 H10 LG1 H 1 0.014 -6.411 1.547 1.00 0.00 H \r\n< HETATM 313 H11 LG1 H 1 2.778 -10.227 6.215 1.00 0.00 H \r\n< HETATM 314 H12 LG1 H 1 -2.431 -5.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 316 S1 LG1 I 1 0.709 1.723 -16.579 1.00 0.00 S \r\n< HETATM 317 S2 LG1 I 1 -0.472 3.937 -18.152 1.00 0.00 S \r\n< HETATM 318 N1 LG1 I 1 -1.364 3.005 -15.811 1.00 0.00 N \r\n< HETATM 319 O1 LG1 I 1 -4.390 4.270 -17.080 1.00 0.00 O \r\n< HETATM 320 C1 LG1 I 1 -0.028 1.222 -15.070 1.00 0.00 C \r\n< HETATM 321 O2 LG1 I 1 -1.985 1.943 -13.889 1.00 0.00 O \r\n< HETATM 322 C2 LG1 I 1 -0.467 2.965 -16.849 1.00 0.00 C \r\n< HETATM 323 C3 LG1 I 1 -2.485 3.917 -15.801 1.00 0.00 C \r\n< HETATM 324 C4 LG1 I 1 3.269 -3.204 -13.506 1.00 0.00 C \r\n< HETATM 325 C5 LG1 I 1 1.509 -1.442 -13.090 1.00 0.00 C \r\n< HETATM 326 C6 LG1 I 1 -1.215 2.045 -14.815 1.00 0.00 C \r\n< HETATM 327 C7 LG1 I 1 2.503 -2.419 -12.656 1.00 0.00 C \r\n< HETATM 328 C8 LG1 I 1 1.444 -0.629 -14.160 1.00 0.00 C \r\n< HETATM 329 C9 LG1 I 1 -3.654 3.348 -16.543 1.00 0.00 C \r\n< HETATM 330 C10 LG1 I 1 2.688 -2.594 -11.302 1.00 0.00 C \r\n< HETATM 331 C11 LG1 I 1 3.611 -3.484 -10.802 1.00 0.00 C \r\n< HETATM 332 O3 LG1 I 1 -3.866 2.157 -16.611 1.00 0.00 O \r\n< HETATM 333 C12 LG1 I 1 4.175 -4.103 -13.008 1.00 0.00 C \r\n< HETATM 334 C13 LG1 I 1 2.489 -0.570 -15.238 1.00 0.00 C \r\n< HETATM 335 C14 LG1 I 1 4.341 -4.254 -11.664 1.00 0.00 C \r\n< HETATM 336 C15 LG1 I 1 0.329 0.271 -14.203 1.00 0.00 C \r\n< HETATM 337 H13 LG1 I 1 -5.011 3.938 -17.512 1.00 0.00 H \r\n< HETATM 338 H1 LG1 I 1 -2.222 4.756 -16.210 1.00 0.00 H \r\n< HETATM 339 H2 LG1 I 1 -2.744 4.098 -14.884 1.00 0.00 H \r\n< HETATM 340 H3 LG1 I 1 3.166 -3.118 -14.426 1.00 0.00 H \r\n< HETATM 341 H4 LG1 I 1 0.781 -1.367 -12.517 1.00 0.00 H \r\n< HETATM 342 H5 LG1 I 1 2.175 -2.095 -10.708 1.00 0.00 H \r\n< HETATM 343 H6 LG1 I 1 3.737 -3.563 -9.885 1.00 0.00 H \r\n< HETATM 344 H7 LG1 I 1 4.683 -4.615 -13.595 1.00 0.00 H \r\n< HETATM 345 H8 LG1 I 1 3.306 -0.958 -14.913 1.00 0.00 H \r\n< HETATM 346 H9 LG1 I 1 2.644 0.344 -15.484 1.00 0.00 H \r\n< HETATM 347 H10 LG1 I 1 2.185 -1.062 -16.005 1.00 0.00 H \r\n< HETATM 348 H11 LG1 I 1 4.948 -4.878 -11.336 1.00 0.00 H \r\n< HETATM 349 H12 LG1 I 1 -0.261 0.175 -13.488 1.00 0.00 H \r\n< TER \r\n< HETATM 351 S1 LG1 J 1 0.709 7.073 -16.579 1.00 0.00 S \r\n< HETATM 352 S2 LG1 J 1 -0.472 9.286 -18.152 1.00 0.00 S \r\n< HETATM 353 N1 LG1 J 1 -1.364 8.354 -15.811 1.00 0.00 N \r\n< HETATM 354 O1 LG1 J 1 -4.390 9.620 -17.080 1.00 0.00 O \r\n< HETATM 355 C1 LG1 J 1 -0.028 6.571 -15.070 1.00 0.00 C \r\n< HETATM 356 O2 LG1 J 1 -1.985 7.293 -13.889 1.00 0.00 O \r\n< HETATM 357 C2 LG1 J 1 -0.467 8.314 -16.849 1.00 0.00 C \r\n< HETATM 358 C3 LG1 J 1 -2.485 9.266 -15.801 1.00 0.00 C \r\n< HETATM 359 C4 LG1 J 1 3.269 2.146 -13.506 1.00 0.00 C \r\n< HETATM 360 C5 LG1 J 1 1.509 3.907 -13.090 1.00 0.00 C \r\n< HETATM 361 C6 LG1 J 1 -1.215 7.394 -14.815 1.00 0.00 C \r\n< HETATM 362 C7 LG1 J 1 2.503 2.930 -12.656 1.00 0.00 C \r\n< HETATM 363 C8 LG1 J 1 1.444 4.720 -14.160 1.00 0.00 C \r\n< HETATM 364 C9 LG1 J 1 -3.654 8.697 -16.543 1.00 0.00 C \r\n< HETATM 365 C10 LG1 J 1 2.688 2.756 -11.302 1.00 0.00 C \r\n< HETATM 366 C11 LG1 J 1 3.611 1.865 -10.802 1.00 0.00 C \r\n< HETATM 367 O3 LG1 J 1 -3.866 7.506 -16.611 1.00 0.00 O \r\n< HETATM 368 C12 LG1 J 1 4.175 1.247 -13.008 1.00 0.00 C \r\n< HETATM 369 C13 LG1 J 1 2.489 4.779 -15.238 1.00 0.00 C \r\n< HETATM 370 C14 LG1 J 1 4.341 1.095 -11.664 1.00 0.00 C \r\n< HETATM 371 C15 LG1 J 1 0.329 5.621 -14.203 1.00 0.00 C \r\n< HETATM 372 H13 LG1 J 1 -5.011 9.287 -17.512 1.00 0.00 H \r\n< HETATM 373 H1 LG1 J 1 -2.222 10.105 -16.210 1.00 0.00 H \r\n< HETATM 374 H2 LG1 J 1 -2.744 9.447 -14.884 1.00 0.00 H \r\n< HETATM 375 H3 LG1 J 1 3.166 2.231 -14.426 1.00 0.00 H \r\n< HETATM 376 H4 LG1 J 1 0.781 3.982 -12.517 1.00 0.00 H \r\n< HETATM 377 H5 LG1 J 1 2.175 3.255 -10.708 1.00 0.00 H \r\n< HETATM 378 H6 LG1 J 1 3.737 1.786 -9.885 1.00 0.00 H \r\n< HETATM 379 H7 LG1 J 1 4.683 0.734 -13.595 1.00 0.00 H \r\n< HETATM 380 H8 LG1 J 1 3.306 4.392 -14.913 1.00 0.00 H \r\n< HETATM 381 H9 LG1 J 1 2.644 5.694 -15.484 1.00 0.00 H \r\n< HETATM 382 H10 LG1 J 1 2.185 4.288 -16.005 1.00 0.00 H \r\n< HETATM 383 H11 LG1 J 1 4.948 0.472 -11.336 1.00 0.00 H \r\n< HETATM 384 H12 LG1 J 1 -0.261 5.524 -13.488 1.00 0.00 H \r\n< TER \r\n< HETATM 386 S1 LG1 K 1 -1.461 7.073 0.972 1.00 0.00 S \r\n< HETATM 387 S2 LG1 K 1 -2.642 9.286 -0.600 1.00 0.00 S \r\n< HETATM 388 N1 LG1 K 1 -3.534 8.354 1.740 1.00 0.00 N \r\n< HETATM 389 O1 LG1 K 1 -6.560 9.620 0.472 1.00 0.00 O \r\n< HETATM 390 C1 LG1 K 1 -2.198 6.571 2.481 1.00 0.00 C \r\n< HETATM 391 O2 LG1 K 1 -4.155 7.293 3.662 1.00 0.00 O \r\n< HETATM 392 C2 LG1 K 1 -2.638 8.314 0.703 1.00 0.00 C \r\n< HETATM 393 C3 LG1 K 1 -4.656 9.266 1.751 1.00 0.00 C \r\n< HETATM 394 C4 LG1 K 1 1.099 2.146 4.045 1.00 0.00 C \r\n< HETATM 395 C5 LG1 K 1 -0.661 3.907 4.461 1.00 0.00 C \r\n< HETATM 396 C6 LG1 K 1 -3.385 7.394 2.737 1.00 0.00 C \r\n< HETATM 397 C7 LG1 K 1 0.333 2.930 4.895 1.00 0.00 C \r\n< HETATM 398 C8 LG1 K 1 -0.726 4.720 3.391 1.00 0.00 C \r\n< HETATM 399 C9 LG1 K 1 -5.824 8.697 1.008 1.00 0.00 C \r\n< HETATM 400 C10 LG1 K 1 0.518 2.756 6.250 1.00 0.00 C \r\n< HETATM 401 C11 LG1 K 1 1.440 1.865 6.750 1.00 0.00 C \r\n< HETATM 402 O3 LG1 K 1 -6.036 7.506 0.941 1.00 0.00 O \r\n< HETATM 403 C12 LG1 K 1 2.005 1.247 4.543 1.00 0.00 C \r\n< HETATM 404 C13 LG1 K 1 0.319 4.779 2.314 1.00 0.00 C \r\n< HETATM 405 C14 LG1 K 1 2.171 1.095 5.888 1.00 0.00 C \r\n< HETATM 406 C15 LG1 K 1 -1.842 5.621 3.349 1.00 0.00 C \r\n< HETATM 407 H13 LG1 K 1 -7.181 9.287 0.039 1.00 0.00 H \r\n< HETATM 408 H1 LG1 K 1 -4.392 10.105 1.341 1.00 0.00 H \r\n< HETATM 409 H2 LG1 K 1 -4.914 9.447 2.668 1.00 0.00 H \r\n< HETATM 410 H3 LG1 K 1 0.995 2.231 3.126 1.00 0.00 H \r\n< HETATM 411 H4 LG1 K 1 -1.390 3.982 5.035 1.00 0.00 H \r\n< HETATM 412 H5 LG1 K 1 0.004 3.255 6.844 1.00 0.00 H \r\n< HETATM 413 H6 LG1 K 1 1.567 1.786 7.667 1.00 0.00 H \r\n< HETATM 414 H7 LG1 K 1 2.513 0.734 3.956 1.00 0.00 H \r\n< HETATM 415 H8 LG1 K 1 1.136 4.392 2.639 1.00 0.00 H \r\n< HETATM 416 H9 LG1 K 1 0.474 5.694 2.068 1.00 0.00 H \r\n< HETATM 417 H10 LG1 K 1 0.014 4.288 1.547 1.00 0.00 H \r\n< HETATM 418 H11 LG1 K 1 2.778 0.472 6.215 1.00 0.00 H \r\n< HETATM 419 H12 LG1 K 1 -2.431 5.524 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 421 S1 LG1 L 1 0.709 12.422 -16.579 1.00 0.00 S \r\n< HETATM 422 S2 LG1 L 1 -0.472 14.635 -18.152 1.00 0.00 S \r\n< HETATM 423 N1 LG1 L 1 -1.364 13.704 -15.811 1.00 0.00 N \r\n< HETATM 424 O1 LG1 L 1 -4.390 14.969 -17.080 1.00 0.00 O \r\n< HETATM 425 C1 LG1 L 1 -0.028 11.921 -15.070 1.00 0.00 C \r\n< HETATM 426 O2 LG1 L 1 -1.985 12.642 -13.889 1.00 0.00 O \r\n< HETATM 427 C2 LG1 L 1 -0.467 13.663 -16.849 1.00 0.00 C \r\n< HETATM 428 C3 LG1 L 1 -2.485 14.616 -15.801 1.00 0.00 C \r\n< HETATM 429 C4 LG1 L 1 3.269 7.495 -13.506 1.00 0.00 C \r\n< HETATM 430 C5 LG1 L 1 1.509 9.256 -13.090 1.00 0.00 C \r\n< HETATM 431 C6 LG1 L 1 -1.215 12.743 -14.815 1.00 0.00 C \r\n< HETATM 432 C7 LG1 L 1 2.503 8.279 -12.656 1.00 0.00 C \r\n< HETATM 433 C8 LG1 L 1 1.444 10.070 -14.160 1.00 0.00 C \r\n< HETATM 434 C9 LG1 L 1 -3.654 14.046 -16.543 1.00 0.00 C \r\n< HETATM 435 C10 LG1 L 1 2.688 8.105 -11.302 1.00 0.00 C \r\n< HETATM 436 C11 LG1 L 1 3.611 7.214 -10.802 1.00 0.00 C \r\n< HETATM 437 O3 LG1 L 1 -3.866 12.856 -16.611 1.00 0.00 O \r\n< HETATM 438 C12 LG1 L 1 4.175 6.596 -13.008 1.00 0.00 C \r\n< HETATM 439 C13 LG1 L 1 2.489 10.129 -15.238 1.00 0.00 C \r\n< HETATM 440 C14 LG1 L 1 4.341 6.445 -11.664 1.00 0.00 C \r\n< HETATM 441 C15 LG1 L 1 0.329 10.970 -14.203 1.00 0.00 C \r\n< HETATM 442 H13 LG1 L 1 -5.011 14.637 -17.512 1.00 0.00 H \r\n< HETATM 443 H1 LG1 L 1 -2.222 15.454 -16.210 1.00 0.00 H \r\n< HETATM 444 H2 LG1 L 1 -2.744 14.796 -14.884 1.00 0.00 H \r\n< HETATM 445 H3 LG1 L 1 3.166 7.581 -14.426 1.00 0.00 H \r\n< HETATM 446 H4 LG1 L 1 0.781 9.331 -12.517 1.00 0.00 H \r\n< HETATM 447 H5 LG1 L 1 2.175 8.604 -10.708 1.00 0.00 H \r\n< HETATM 448 H6 LG1 L 1 3.737 7.136 -9.885 1.00 0.00 H \r\n< HETATM 449 H7 LG1 L 1 4.683 6.084 -13.595 1.00 0.00 H \r\n< HETATM 450 H8 LG1 L 1 3.306 9.741 -14.913 1.00 0.00 H \r\n< HETATM 451 H9 LG1 L 1 2.644 11.043 -15.484 1.00 0.00 H \r\n< HETATM 452 H10 LG1 L 1 2.185 9.637 -16.005 1.00 0.00 H \r\n< HETATM 453 H11 LG1 L 1 4.948 5.821 -11.336 1.00 0.00 H \r\n< HETATM 454 H12 LG1 L 1 -0.261 10.873 -13.488 1.00 0.00 H \r\n< TER \r\n< HETATM 456 S1 LG1 M 1 -1.461 12.422 0.972 1.00 0.00 S \r\n< HETATM 457 S2 LG1 M 1 -2.642 14.635 -0.600 1.00 0.00 S \r\n< HETATM 458 N1 LG1 M 1 -3.534 13.704 1.740 1.00 0.00 N \r\n< HETATM 459 O1 LG1 M 1 -6.560 14.969 0.472 1.00 0.00 O \r\n< HETATM 460 C1 LG1 M 1 -2.198 11.921 2.481 1.00 0.00 C \r\n< HETATM 461 O2 LG1 M 1 -4.155 12.642 3.662 1.00 0.00 O \r\n< HETATM 462 C2 LG1 M 1 -2.638 13.663 0.703 1.00 0.00 C \r\n< HETATM 463 C3 LG1 M 1 -4.656 14.616 1.751 1.00 0.00 C \r\n< HETATM 464 C4 LG1 M 1 1.099 7.495 4.045 1.00 0.00 C \r\n< HETATM 465 C5 LG1 M 1 -0.661 9.256 4.461 1.00 0.00 C \r\n< HETATM 466 C6 LG1 M 1 -3.385 12.743 2.737 1.00 0.00 C \r\n< HETATM 467 C7 LG1 M 1 0.333 8.279 4.895 1.00 0.00 C \r\n< HETATM 468 C8 LG1 M 1 -0.726 10.070 3.391 1.00 0.00 C \r\n< HETATM 469 C9 LG1 M 1 -5.824 14.046 1.008 1.00 0.00 C \r\n< HETATM 470 C10 LG1 M 1 0.518 8.105 6.250 1.00 0.00 C \r\n< HETATM 471 C11 LG1 M 1 1.440 7.214 6.750 1.00 0.00 C \r\n< HETATM 472 O3 LG1 M 1 -6.036 12.856 0.941 1.00 0.00 O \r\n< HETATM 473 C12 LG1 M 1 2.005 6.596 4.543 1.00 0.00 C \r\n< HETATM 474 C13 LG1 M 1 0.319 10.129 2.314 1.00 0.00 C \r\n< HETATM 475 C14 LG1 M 1 2.171 6.445 5.888 1.00 0.00 C \r\n< HETATM 476 C15 LG1 M 1 -1.842 10.970 3.349 1.00 0.00 C \r\n< HETATM 477 H13 LG1 M 1 -7.181 14.637 0.039 1.00 0.00 H \r\n< HETATM 478 H1 LG1 M 1 -4.392 15.454 1.341 1.00 0.00 H \r\n< HETATM 479 H2 LG1 M 1 -4.914 14.796 2.668 1.00 0.00 H \r\n< HETATM 480 H3 LG1 M 1 0.995 7.581 3.126 1.00 0.00 H \r\n< HETATM 481 H4 LG1 M 1 -1.390 9.331 5.035 1.00 0.00 H \r\n< HETATM 482 H5 LG1 M 1 0.004 8.604 6.844 1.00 0.00 H \r\n< HETATM 483 H6 LG1 M 1 1.567 7.136 7.667 1.00 0.00 H \r\n< HETATM 484 H7 LG1 M 1 2.513 6.084 3.956 1.00 0.00 H \r\n< HETATM 485 H8 LG1 M 1 1.136 9.741 2.639 1.00 0.00 H \r\n< HETATM 486 H9 LG1 M 1 0.474 11.043 2.068 1.00 0.00 H \r\n< HETATM 487 H10 LG1 M 1 0.014 9.637 1.547 1.00 0.00 H \r\n< HETATM 488 H11 LG1 M 1 2.778 5.821 6.215 1.00 0.00 H \r\n< HETATM 489 H12 LG1 M 1 -2.431 10.873 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 491 S1 LG1 N 1 13.190 -8.976 0.972 1.00 0.00 S \r\n< HETATM 492 S2 LG1 N 1 12.008 -6.762 -0.600 1.00 0.00 S \r\n< HETATM 493 N1 LG1 N 1 11.117 -7.694 1.740 1.00 0.00 N \r\n< HETATM 494 O1 LG1 N 1 8.091 -6.428 0.472 1.00 0.00 O \r\n< HETATM 495 C1 LG1 N 1 12.453 -9.477 2.481 1.00 0.00 C \r\n< HETATM 496 O2 LG1 N 1 10.495 -8.755 3.662 1.00 0.00 O \r\n< HETATM 497 C2 LG1 N 1 12.013 -7.734 0.703 1.00 0.00 C \r\n< HETATM 498 C3 LG1 N 1 9.995 -6.782 1.751 1.00 0.00 C \r\n< HETATM 499 C4 LG1 N 1 15.750 -13.903 4.045 1.00 0.00 C \r\n< HETATM 500 C5 LG1 N 1 13.989 -12.141 4.461 1.00 0.00 C \r\n< HETATM 501 C6 LG1 N 1 11.266 -8.654 2.737 1.00 0.00 C \r\n< HETATM 502 C7 LG1 N 1 14.984 -13.118 4.895 1.00 0.00 C \r\n< HETATM 503 C8 LG1 N 1 13.925 -11.328 3.391 1.00 0.00 C \r\n< HETATM 504 C9 LG1 N 1 8.827 -7.351 1.008 1.00 0.00 C \r\n< HETATM 505 C10 LG1 N 1 15.169 -13.292 6.250 1.00 0.00 C \r\n< HETATM 506 C11 LG1 N 1 16.091 -14.183 6.750 1.00 0.00 C \r\n< HETATM 507 O3 LG1 N 1 8.615 -8.542 0.941 1.00 0.00 O \r\n< HETATM 508 C12 LG1 N 1 16.656 -14.801 4.543 1.00 0.00 C \r\n< HETATM 509 C13 LG1 N 1 14.970 -11.269 2.314 1.00 0.00 C \r\n< HETATM 510 C14 LG1 N 1 16.822 -14.953 5.888 1.00 0.00 C \r\n< HETATM 511 C15 LG1 N 1 12.809 -10.427 3.349 1.00 0.00 C \r\n< HETATM 512 H13 LG1 N 1 7.470 -6.761 0.039 1.00 0.00 H \r\n< HETATM 513 H1 LG1 N 1 10.259 -5.943 1.341 1.00 0.00 H \r\n< HETATM 514 H2 LG1 N 1 9.737 -6.601 2.668 1.00 0.00 H \r\n< HETATM 515 H3 LG1 N 1 15.646 -13.817 3.126 1.00 0.00 H \r\n< HETATM 516 H4 LG1 N 1 13.261 -12.066 5.035 1.00 0.00 H \r\n< HETATM 517 H5 LG1 N 1 14.655 -12.793 6.844 1.00 0.00 H \r\n< HETATM 518 H6 LG1 N 1 16.218 -14.262 7.667 1.00 0.00 H \r\n< HETATM 519 H7 LG1 N 1 17.164 -15.314 3.956 1.00 0.00 H \r\n< HETATM 520 H8 LG1 N 1 15.787 -11.657 2.639 1.00 0.00 H \r\n< HETATM 521 H9 LG1 N 1 15.125 -10.354 2.068 1.00 0.00 H \r\n< HETATM 522 H10 LG1 N 1 14.665 -11.760 1.547 1.00 0.00 H \r\n< HETATM 523 H11 LG1 N 1 17.429 -15.576 6.215 1.00 0.00 H \r\n< HETATM 524 H12 LG1 N 1 12.220 -10.524 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 526 S1 LG1 O 1 13.190 -3.626 0.972 1.00 0.00 S \r\n< HETATM 527 S2 LG1 O 1 12.008 -1.413 -0.600 1.00 0.00 S \r\n< HETATM 528 N1 LG1 O 1 11.117 -2.345 1.740 1.00 0.00 N \r\n< HETATM 529 O1 LG1 O 1 8.091 -1.079 0.472 1.00 0.00 O \r\n< HETATM 530 C1 LG1 O 1 12.453 -4.127 2.481 1.00 0.00 C \r\n< HETATM 531 O2 LG1 O 1 10.495 -3.406 3.662 1.00 0.00 O \r\n< HETATM 532 C2 LG1 O 1 12.013 -2.385 0.703 1.00 0.00 C \r\n< HETATM 533 C3 LG1 O 1 9.995 -1.433 1.751 1.00 0.00 C \r\n< HETATM 534 C4 LG1 O 1 15.750 -8.553 4.045 1.00 0.00 C \r\n< HETATM 535 C5 LG1 O 1 13.989 -6.792 4.461 1.00 0.00 C \r\n< HETATM 536 C6 LG1 O 1 11.266 -3.305 2.737 1.00 0.00 C \r\n< HETATM 537 C7 LG1 O 1 14.984 -7.769 4.895 1.00 0.00 C \r\n< HETATM 538 C8 LG1 O 1 13.925 -5.979 3.391 1.00 0.00 C \r\n< HETATM 539 C9 LG1 O 1 8.827 -2.002 1.008 1.00 0.00 C \r\n< HETATM 540 C10 LG1 O 1 15.169 -7.943 6.250 1.00 0.00 C \r\n< HETATM 541 C11 LG1 O 1 16.091 -8.834 6.750 1.00 0.00 C \r\n< HETATM 542 O3 LG1 O 1 8.615 -3.192 0.941 1.00 0.00 O \r\n< HETATM 543 C12 LG1 O 1 16.656 -9.452 4.543 1.00 0.00 C \r\n< HETATM 544 C13 LG1 O 1 14.970 -5.920 2.314 1.00 0.00 C \r\n< HETATM 545 C14 LG1 O 1 16.822 -9.604 5.888 1.00 0.00 C \r\n< HETATM 546 C15 LG1 O 1 12.809 -5.078 3.349 1.00 0.00 C \r\n< HETATM 547 H13 LG1 O 1 7.470 -1.411 0.039 1.00 0.00 H \r\n< HETATM 548 H1 LG1 O 1 10.259 -0.594 1.341 1.00 0.00 H \r\n< HETATM 549 H2 LG1 O 1 9.737 -1.252 2.668 1.00 0.00 H \r\n< HETATM 550 H3 LG1 O 1 15.646 -8.468 3.126 1.00 0.00 H \r\n< HETATM 551 H4 LG1 O 1 13.261 -6.717 5.035 1.00 0.00 H \r\n< HETATM 552 H5 LG1 O 1 14.655 -7.444 6.844 1.00 0.00 H \r\n< HETATM 553 H6 LG1 O 1 16.218 -8.912 7.667 1.00 0.00 H \r\n< HETATM 554 H7 LG1 O 1 17.164 -9.965 3.956 1.00 0.00 H \r\n< HETATM 555 H8 LG1 O 1 15.787 -6.307 2.639 1.00 0.00 H \r\n< HETATM 556 H9 LG1 O 1 15.125 -5.005 2.068 1.00 0.00 H \r\n< HETATM 557 H10 LG1 O 1 14.665 -6.411 1.547 1.00 0.00 H \r\n< HETATM 558 H11 LG1 O 1 17.429 -10.227 6.215 1.00 0.00 H \r\n< HETATM 559 H12 LG1 O 1 12.220 -5.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 561 S1 LG1 P 1 13.190 1.723 0.972 1.00 0.00 S \r\n< HETATM 562 S2 LG1 P 1 12.008 3.937 -0.600 1.00 0.00 S \r\n< HETATM 563 N1 LG1 P 1 11.117 3.005 1.740 1.00 0.00 N \r\n< HETATM 564 O1 LG1 P 1 8.091 4.270 0.472 1.00 0.00 O \r\n< HETATM 565 C1 LG1 P 1 12.453 1.222 2.481 1.00 0.00 C \r\n< HETATM 566 O2 LG1 P 1 10.495 1.943 3.662 1.00 0.00 O \r\n< HETATM 567 C2 LG1 P 1 12.013 2.965 0.703 1.00 0.00 C \r\n< HETATM 568 C3 LG1 P 1 9.995 3.917 1.751 1.00 0.00 C \r\n< HETATM 569 C4 LG1 P 1 15.750 -3.204 4.045 1.00 0.00 C \r\n< HETATM 570 C5 LG1 P 1 13.989 -1.442 4.461 1.00 0.00 C \r\n< HETATM 571 C6 LG1 P 1 11.266 2.045 2.737 1.00 0.00 C \r\n< HETATM 572 C7 LG1 P 1 14.984 -2.419 4.895 1.00 0.00 C \r\n< HETATM 573 C8 LG1 P 1 13.925 -0.629 3.391 1.00 0.00 C \r\n< HETATM 574 C9 LG1 P 1 8.827 3.348 1.008 1.00 0.00 C \r\n< HETATM 575 C10 LG1 P 1 15.169 -2.594 6.250 1.00 0.00 C \r\n< HETATM 576 C11 LG1 P 1 16.091 -3.484 6.750 1.00 0.00 C \r\n< HETATM 577 O3 LG1 P 1 8.615 2.157 0.941 1.00 0.00 O \r\n< HETATM 578 C12 LG1 P 1 16.656 -4.103 4.543 1.00 0.00 C \r\n< HETATM 579 C13 LG1 P 1 14.970 -0.570 2.314 1.00 0.00 C \r\n< HETATM 580 C14 LG1 P 1 16.822 -4.254 5.888 1.00 0.00 C \r\n< HETATM 581 C15 LG1 P 1 12.809 0.271 3.349 1.00 0.00 C \r\n< HETATM 582 H13 LG1 P 1 7.470 3.938 0.039 1.00 0.00 H \r\n< HETATM 583 H1 LG1 P 1 10.259 4.756 1.341 1.00 0.00 H \r\n< HETATM 584 H2 LG1 P 1 9.737 4.098 2.668 1.00 0.00 H \r\n< HETATM 585 H3 LG1 P 1 15.646 -3.118 3.126 1.00 0.00 H \r\n< HETATM 586 H4 LG1 P 1 13.261 -1.367 5.035 1.00 0.00 H \r\n< HETATM 587 H5 LG1 P 1 14.655 -2.095 6.844 1.00 0.00 H \r\n< HETATM 588 H6 LG1 P 1 16.218 -3.563 7.667 1.00 0.00 H \r\n< HETATM 589 H7 LG1 P 1 17.164 -4.615 3.956 1.00 0.00 H \r\n< HETATM 590 H8 LG1 P 1 15.787 -0.958 2.639 1.00 0.00 H \r\n< HETATM 591 H9 LG1 P 1 15.125 0.344 2.068 1.00 0.00 H \r\n< HETATM 592 H10 LG1 P 1 14.665 -1.062 1.547 1.00 0.00 H \r\n< HETATM 593 H11 LG1 P 1 17.429 -4.878 6.215 1.00 0.00 H \r\n< HETATM 594 H12 LG1 P 1 12.220 0.175 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 596 S1 LG1 Q 1 13.190 7.073 0.972 1.00 0.00 S \r\n< HETATM 597 S2 LG1 Q 1 12.008 9.286 -0.600 1.00 0.00 S \r\n< HETATM 598 N1 LG1 Q 1 11.117 8.354 1.740 1.00 0.00 N \r\n< HETATM 599 O1 LG1 Q 1 8.091 9.620 0.472 1.00 0.00 O \r\n< HETATM 600 C1 LG1 Q 1 12.453 6.571 2.481 1.00 0.00 C \r\n< HETATM 601 O2 LG1 Q 1 10.495 7.293 3.662 1.00 0.00 O \r\n< HETATM 602 C2 LG1 Q 1 12.013 8.314 0.703 1.00 0.00 C \r\n< HETATM 603 C3 LG1 Q 1 9.995 9.266 1.751 1.00 0.00 C \r\n< HETATM 604 C4 LG1 Q 1 15.750 2.146 4.045 1.00 0.00 C \r\n< HETATM 605 C5 LG1 Q 1 13.989 3.907 4.461 1.00 0.00 C \r\n< HETATM 606 C6 LG1 Q 1 11.266 7.394 2.737 1.00 0.00 C \r\n< HETATM 607 C7 LG1 Q 1 14.984 2.930 4.895 1.00 0.00 C \r\n< HETATM 608 C8 LG1 Q 1 13.925 4.720 3.391 1.00 0.00 C \r\n< HETATM 609 C9 LG1 Q 1 8.827 8.697 1.008 1.00 0.00 C \r\n< HETATM 610 C10 LG1 Q 1 15.169 2.756 6.250 1.00 0.00 C \r\n< HETATM 611 C11 LG1 Q 1 16.091 1.865 6.750 1.00 0.00 C \r\n< HETATM 612 O3 LG1 Q 1 8.615 7.506 0.941 1.00 0.00 O \r\n< HETATM 613 C12 LG1 Q 1 16.656 1.247 4.543 1.00 0.00 C \r\n< HETATM 614 C13 LG1 Q 1 14.970 4.779 2.314 1.00 0.00 C \r\n< HETATM 615 C14 LG1 Q 1 16.822 1.095 5.888 1.00 0.00 C \r\n< HETATM 616 C15 LG1 Q 1 12.809 5.621 3.349 1.00 0.00 C \r\n< HETATM 617 H13 LG1 Q 1 7.470 9.287 0.039 1.00 0.00 H \r\n< HETATM 618 H1 LG1 Q 1 10.259 10.105 1.341 1.00 0.00 H \r\n< HETATM 619 H2 LG1 Q 1 9.737 9.447 2.668 1.00 0.00 H \r\n< HETATM 620 H3 LG1 Q 1 15.646 2.231 3.126 1.00 0.00 H \r\n< HETATM 621 H4 LG1 Q 1 13.261 3.982 5.035 1.00 0.00 H \r\n< HETATM 622 H5 LG1 Q 1 14.655 3.255 6.844 1.00 0.00 H \r\n< HETATM 623 H6 LG1 Q 1 16.218 1.786 7.667 1.00 0.00 H \r\n< HETATM 624 H7 LG1 Q 1 17.164 0.734 3.956 1.00 0.00 H \r\n< HETATM 625 H8 LG1 Q 1 15.787 4.392 2.639 1.00 0.00 H \r\n< HETATM 626 H9 LG1 Q 1 15.125 5.694 2.068 1.00 0.00 H \r\n< HETATM 627 H10 LG1 Q 1 14.665 4.288 1.547 1.00 0.00 H \r\n< HETATM 628 H11 LG1 Q 1 17.429 0.472 6.215 1.00 0.00 H \r\n< HETATM 629 H12 LG1 Q 1 12.220 5.524 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 631 S1 LG1 R 1 13.190 12.422 0.972 1.00 0.00 S \r\n< HETATM 632 S2 LG1 R 1 12.008 14.635 -0.600 1.00 0.00 S \r\n< HETATM 633 N1 LG1 R 1 11.117 13.704 1.740 1.00 0.00 N \r\n< HETATM 634 O1 LG1 R 1 8.091 14.969 0.472 1.00 0.00 O \r\n< HETATM 635 C1 LG1 R 1 12.453 11.921 2.481 1.00 0.00 C \r\n< HETATM 636 O2 LG1 R 1 10.495 12.642 3.662 1.00 0.00 O \r\n< HETATM 637 C2 LG1 R 1 12.013 13.663 0.703 1.00 0.00 C \r\n< HETATM 638 C3 LG1 R 1 9.995 14.616 1.751 1.00 0.00 C \r\n< HETATM 639 C4 LG1 R 1 15.750 7.495 4.045 1.00 0.00 C \r\n< HETATM 640 C5 LG1 R 1 13.989 9.256 4.461 1.00 0.00 C \r\n< HETATM 641 C6 LG1 R 1 11.266 12.743 2.737 1.00 0.00 C \r\n< HETATM 642 C7 LG1 R 1 14.984 8.279 4.895 1.00 0.00 C \r\n< HETATM 643 C8 LG1 R 1 13.925 10.070 3.391 1.00 0.00 C \r\n< HETATM 644 C9 LG1 R 1 8.827 14.046 1.008 1.00 0.00 C \r\n< HETATM 645 C10 LG1 R 1 15.169 8.105 6.250 1.00 0.00 C \r\n< HETATM 646 C11 LG1 R 1 16.091 7.214 6.750 1.00 0.00 C \r\n< HETATM 647 O3 LG1 R 1 8.615 12.856 0.941 1.00 0.00 O \r\n< HETATM 648 C12 LG1 R 1 16.656 6.596 4.543 1.00 0.00 C \r\n< HETATM 649 C13 LG1 R 1 14.970 10.129 2.314 1.00 0.00 C \r\n< HETATM 650 C14 LG1 R 1 16.822 6.445 5.888 1.00 0.00 C \r\n< HETATM 651 C15 LG1 R 1 12.809 10.970 3.349 1.00 0.00 C \r\n< HETATM 652 H13 LG1 R 1 7.470 14.637 0.039 1.00 0.00 H \r\n< HETATM 653 H1 LG1 R 1 10.259 15.454 1.341 1.00 0.00 H \r\n< HETATM 654 H2 LG1 R 1 9.737 14.796 2.668 1.00 0.00 H \r\n< HETATM 655 H3 LG1 R 1 15.646 7.581 3.126 1.00 0.00 H \r\n< HETATM 656 H4 LG1 R 1 13.261 9.331 5.035 1.00 0.00 H \r\n< HETATM 657 H5 LG1 R 1 14.655 8.604 6.844 1.00 0.00 H \r\n< HETATM 658 H6 LG1 R 1 16.218 7.136 7.667 1.00 0.00 H \r\n< HETATM 659 H7 LG1 R 1 17.164 6.084 3.956 1.00 0.00 H \r\n< HETATM 660 H8 LG1 R 1 15.787 9.741 2.639 1.00 0.00 H \r\n< HETATM 661 H9 LG1 R 1 15.125 11.043 2.068 1.00 0.00 H \r\n< HETATM 662 H10 LG1 R 1 14.665 9.637 1.547 1.00 0.00 H \r\n< HETATM 663 H11 LG1 R 1 17.429 5.821 6.215 1.00 0.00 H \r\n< HETATM 664 H12 LG1 R 1 12.220 10.873 4.063 1.00 0.00 H \r\n< TER \r\n< HETATM 666 S1 LG1 S 1 -4.767 -6.301 -9.743 1.00 0.00 S \r\n< HETATM 667 S2 LG1 S 1 -3.586 -4.087 -8.170 1.00 0.00 S \r\n< HETATM 668 N1 LG1 S 1 -2.694 -5.019 -10.511 1.00 0.00 N \r\n< HETATM 669 O1 LG1 S 1 0.332 -3.754 -9.243 1.00 0.00 O \r\n< HETATM 670 C1 LG1 S 1 -4.030 -6.802 -11.252 1.00 0.00 C \r\n< HETATM 671 O2 LG1 S 1 -2.073 -6.081 -12.433 1.00 0.00 O \r\n< HETATM 672 C2 LG1 S 1 -3.591 -5.059 -9.474 1.00 0.00 C \r\n< HETATM 673 C3 LG1 S 1 -1.572 -4.107 -10.521 1.00 0.00 C \r\n< HETATM 674 C4 LG1 S 1 -7.327 -11.228 -12.816 1.00 0.00 C \r\n< HETATM 675 C5 LG1 S 1 -5.567 -9.466 -13.232 1.00 0.00 C \r\n< HETATM 676 C6 LG1 S 1 -2.843 -5.979 -11.508 1.00 0.00 C \r\n< HETATM 677 C7 LG1 S 1 -6.561 -10.443 -13.666 1.00 0.00 C \r\n< HETATM 678 C8 LG1 S 1 -5.502 -8.653 -12.162 1.00 0.00 C \r\n< HETATM 679 C9 LG1 S 1 -0.404 -4.676 -9.779 1.00 0.00 C \r\n< HETATM 680 C10 LG1 S 1 -6.746 -10.618 -15.021 1.00 0.00 C \r\n< HETATM 681 C11 LG1 S 1 -7.669 -11.508 -15.521 1.00 0.00 C \r\n< HETATM 682 O3 LG1 S 1 -0.192 -5.867 -9.712 1.00 0.00 O \r\n< HETATM 683 C12 LG1 S 1 -8.233 -12.127 -13.314 1.00 0.00 C \r\n< HETATM 684 C13 LG1 S 1 -6.547 -8.594 -11.085 1.00 0.00 C \r\n< HETATM 685 C14 LG1 S 1 -8.399 -12.278 -14.659 1.00 0.00 C \r\n< HETATM 686 C15 LG1 S 1 -4.386 -7.753 -12.120 1.00 0.00 C \r\n< HETATM 687 H13 LG1 S 1 0.953 -4.086 -8.810 1.00 0.00 H \r\n< HETATM 688 H1 LG1 S 1 -1.836 -3.269 -10.112 1.00 0.00 H \r\n< HETATM 689 H2 LG1 S 1 -1.314 -3.926 -11.438 1.00 0.00 H \r\n< HETATM 690 H3 LG1 S 1 -7.223 -11.142 -11.897 1.00 0.00 H \r\n< HETATM 691 H4 LG1 S 1 -4.839 -9.391 -13.805 1.00 0.00 H \r\n< HETATM 692 H5 LG1 S 1 -6.233 -10.119 -15.614 1.00 0.00 H \r\n< HETATM 693 H6 LG1 S 1 -7.795 -11.587 -16.438 1.00 0.00 H \r\n< HETATM 694 H7 LG1 S 1 -8.741 -12.639 -12.727 1.00 0.00 H \r\n< HETATM 695 H8 LG1 S 1 -7.364 -8.982 -11.409 1.00 0.00 H \r\n< HETATM 696 H9 LG1 S 1 -6.702 -7.680 -10.839 1.00 0.00 H \r\n< HETATM 697 H10 LG1 S 1 -6.243 -9.086 -10.318 1.00 0.00 H \r\n< HETATM 698 H11 LG1 S 1 -9.006 -12.902 -14.986 1.00 0.00 H \r\n< HETATM 699 H12 LG1 S 1 -3.797 -7.849 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 701 S1 LG1 T 1 -6.938 -6.301 7.808 1.00 0.00 S \r\n< HETATM 702 S2 LG1 T 1 -5.756 -4.087 9.381 1.00 0.00 S \r\n< HETATM 703 N1 LG1 T 1 -4.865 -5.019 7.040 1.00 0.00 N \r\n< HETATM 704 O1 LG1 T 1 -1.839 -3.754 8.309 1.00 0.00 O \r\n< HETATM 705 C1 LG1 T 1 -6.201 -6.802 6.299 1.00 0.00 C \r\n< HETATM 706 O2 LG1 T 1 -4.243 -6.081 5.118 1.00 0.00 O \r\n< HETATM 707 C2 LG1 T 1 -5.761 -5.059 8.078 1.00 0.00 C \r\n< HETATM 708 C3 LG1 T 1 -3.743 -4.107 7.030 1.00 0.00 C \r\n< HETATM 709 C4 LG1 T 1 -9.497 -11.228 4.735 1.00 0.00 C \r\n< HETATM 710 C5 LG1 T 1 -7.737 -9.466 4.319 1.00 0.00 C \r\n< HETATM 711 C6 LG1 T 1 -5.014 -5.979 6.044 1.00 0.00 C \r\n< HETATM 712 C7 LG1 T 1 -8.731 -10.443 3.886 1.00 0.00 C \r\n< HETATM 713 C8 LG1 T 1 -7.672 -8.653 5.389 1.00 0.00 C \r\n< HETATM 714 C9 LG1 T 1 -2.575 -4.676 7.772 1.00 0.00 C \r\n< HETATM 715 C10 LG1 T 1 -8.917 -10.618 2.531 1.00 0.00 C \r\n< HETATM 716 C11 LG1 T 1 -9.839 -11.508 2.031 1.00 0.00 C \r\n< HETATM 717 O3 LG1 T 1 -2.362 -5.867 7.840 1.00 0.00 O \r\n< HETATM 718 C12 LG1 T 1 -10.404 -12.127 4.237 1.00 0.00 C \r\n< HETATM 719 C13 LG1 T 1 -8.717 -8.594 6.467 1.00 0.00 C \r\n< HETATM 720 C14 LG1 T 1 -10.570 -12.278 2.893 1.00 0.00 C \r\n< HETATM 721 C15 LG1 T 1 -6.557 -7.753 5.432 1.00 0.00 C \r\n< HETATM 722 H13 LG1 T 1 -1.217 -4.086 8.741 1.00 0.00 H \r\n< HETATM 723 H1 LG1 T 1 -4.007 -3.269 7.439 1.00 0.00 H \r\n< HETATM 724 H2 LG1 T 1 -3.485 -3.926 6.113 1.00 0.00 H \r\n< HETATM 725 H3 LG1 T 1 -9.394 -11.142 5.655 1.00 0.00 H \r\n< HETATM 726 H4 LG1 T 1 -7.009 -9.391 3.746 1.00 0.00 H \r\n< HETATM 727 H5 LG1 T 1 -8.403 -10.119 1.937 1.00 0.00 H \r\n< HETATM 728 H6 LG1 T 1 -9.966 -11.587 1.114 1.00 0.00 H \r\n< HETATM 729 H7 LG1 T 1 -10.912 -12.639 4.824 1.00 0.00 H \r\n< HETATM 730 H8 LG1 T 1 -9.534 -8.982 6.142 1.00 0.00 H \r\n< HETATM 731 H9 LG1 T 1 -8.873 -7.680 6.713 1.00 0.00 H \r\n< HETATM 732 H10 LG1 T 1 -8.413 -9.086 7.234 1.00 0.00 H \r\n< HETATM 733 H11 LG1 T 1 -11.177 -12.902 2.565 1.00 0.00 H \r\n< HETATM 734 H12 LG1 T 1 -5.968 -7.849 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 736 S1 LG1 U 1 -4.767 -0.951 -9.743 1.00 0.00 S \r\n< HETATM 737 S2 LG1 U 1 -3.586 1.262 -8.170 1.00 0.00 S \r\n< HETATM 738 N1 LG1 U 1 -2.694 0.330 -10.511 1.00 0.00 N \r\n< HETATM 739 O1 LG1 U 1 0.332 1.596 -9.243 1.00 0.00 O \r\n< HETATM 740 C1 LG1 U 1 -4.030 -1.453 -11.252 1.00 0.00 C \r\n< HETATM 741 O2 LG1 U 1 -2.073 -0.731 -12.433 1.00 0.00 O \r\n< HETATM 742 C2 LG1 U 1 -3.591 0.290 -9.474 1.00 0.00 C \r\n< HETATM 743 C3 LG1 U 1 -1.572 1.242 -10.521 1.00 0.00 C \r\n< HETATM 744 C4 LG1 U 1 -7.327 -5.878 -12.816 1.00 0.00 C \r\n< HETATM 745 C5 LG1 U 1 -5.567 -4.117 -13.232 1.00 0.00 C \r\n< HETATM 746 C6 LG1 U 1 -2.843 -0.630 -11.508 1.00 0.00 C \r\n< HETATM 747 C7 LG1 U 1 -6.561 -5.094 -13.666 1.00 0.00 C \r\n< HETATM 748 C8 LG1 U 1 -5.502 -3.304 -12.162 1.00 0.00 C \r\n< HETATM 749 C9 LG1 U 1 -0.404 0.673 -9.779 1.00 0.00 C \r\n< HETATM 750 C10 LG1 U 1 -6.746 -5.268 -15.021 1.00 0.00 C \r\n< HETATM 751 C11 LG1 U 1 -7.669 -6.159 -15.521 1.00 0.00 C \r\n< HETATM 752 O3 LG1 U 1 -0.192 -0.518 -9.712 1.00 0.00 O \r\n< HETATM 753 C12 LG1 U 1 -8.233 -6.777 -13.314 1.00 0.00 C \r\n< HETATM 754 C13 LG1 U 1 -6.547 -3.245 -11.085 1.00 0.00 C \r\n< HETATM 755 C14 LG1 U 1 -8.399 -6.929 -14.659 1.00 0.00 C \r\n< HETATM 756 C15 LG1 U 1 -4.386 -2.403 -12.120 1.00 0.00 C \r\n< HETATM 757 H13 LG1 U 1 0.953 1.263 -8.810 1.00 0.00 H \r\n< HETATM 758 H1 LG1 U 1 -1.836 2.081 -10.112 1.00 0.00 H \r\n< HETATM 759 H2 LG1 U 1 -1.314 1.423 -11.438 1.00 0.00 H \r\n< HETATM 760 H3 LG1 U 1 -7.223 -5.793 -11.897 1.00 0.00 H \r\n< HETATM 761 H4 LG1 U 1 -4.839 -4.042 -13.805 1.00 0.00 H \r\n< HETATM 762 H5 LG1 U 1 -6.233 -4.769 -15.614 1.00 0.00 H \r\n< HETATM 763 H6 LG1 U 1 -7.795 -6.238 -16.438 1.00 0.00 H \r\n< HETATM 764 H7 LG1 U 1 -8.741 -7.290 -12.727 1.00 0.00 H \r\n< HETATM 765 H8 LG1 U 1 -7.364 -3.632 -11.409 1.00 0.00 H \r\n< HETATM 766 H9 LG1 U 1 -6.702 -2.330 -10.839 1.00 0.00 H \r\n< HETATM 767 H10 LG1 U 1 -6.243 -3.736 -10.318 1.00 0.00 H \r\n< HETATM 768 H11 LG1 U 1 -9.006 -7.552 -14.986 1.00 0.00 H \r\n< HETATM 769 H12 LG1 U 1 -3.797 -2.500 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 771 S1 LG1 V 1 -6.938 -0.951 7.808 1.00 0.00 S \r\n< HETATM 772 S2 LG1 V 1 -5.756 1.262 9.381 1.00 0.00 S \r\n< HETATM 773 N1 LG1 V 1 -4.865 0.330 7.040 1.00 0.00 N \r\n< HETATM 774 O1 LG1 V 1 -1.839 1.596 8.309 1.00 0.00 O \r\n< HETATM 775 C1 LG1 V 1 -6.201 -1.453 6.299 1.00 0.00 C \r\n< HETATM 776 O2 LG1 V 1 -4.243 -0.731 5.118 1.00 0.00 O \r\n< HETATM 777 C2 LG1 V 1 -5.761 0.290 8.078 1.00 0.00 C \r\n< HETATM 778 C3 LG1 V 1 -3.743 1.242 7.030 1.00 0.00 C \r\n< HETATM 779 C4 LG1 V 1 -9.497 -5.878 4.735 1.00 0.00 C \r\n< HETATM 780 C5 LG1 V 1 -7.737 -4.117 4.319 1.00 0.00 C \r\n< HETATM 781 C6 LG1 V 1 -5.014 -0.630 6.044 1.00 0.00 C \r\n< HETATM 782 C7 LG1 V 1 -8.731 -5.094 3.886 1.00 0.00 C \r\n< HETATM 783 C8 LG1 V 1 -7.672 -3.304 5.389 1.00 0.00 C \r\n< HETATM 784 C9 LG1 V 1 -2.575 0.673 7.772 1.00 0.00 C \r\n< HETATM 785 C10 LG1 V 1 -8.917 -5.268 2.531 1.00 0.00 C \r\n< HETATM 786 C11 LG1 V 1 -9.839 -6.159 2.031 1.00 0.00 C \r\n< HETATM 787 O3 LG1 V 1 -2.362 -0.518 7.840 1.00 0.00 O \r\n< HETATM 788 C12 LG1 V 1 -10.404 -6.777 4.237 1.00 0.00 C \r\n< HETATM 789 C13 LG1 V 1 -8.717 -3.245 6.467 1.00 0.00 C \r\n< HETATM 790 C14 LG1 V 1 -10.570 -6.929 2.893 1.00 0.00 C \r\n< HETATM 791 C15 LG1 V 1 -6.557 -2.403 5.432 1.00 0.00 C \r\n< HETATM 792 H13 LG1 V 1 -1.217 1.263 8.741 1.00 0.00 H \r\n< HETATM 793 H1 LG1 V 1 -4.007 2.081 7.439 1.00 0.00 H \r\n< HETATM 794 H2 LG1 V 1 -3.485 1.423 6.113 1.00 0.00 H \r\n< HETATM 795 H3 LG1 V 1 -9.394 -5.793 5.655 1.00 0.00 H \r\n< HETATM 796 H4 LG1 V 1 -7.009 -4.042 3.746 1.00 0.00 H \r\n< HETATM 797 H5 LG1 V 1 -8.403 -4.769 1.937 1.00 0.00 H \r\n< HETATM 798 H6 LG1 V 1 -9.966 -6.238 1.114 1.00 0.00 H \r\n< HETATM 799 H7 LG1 V 1 -10.912 -7.290 4.824 1.00 0.00 H \r\n< HETATM 800 H8 LG1 V 1 -9.534 -3.632 6.142 1.00 0.00 H \r\n< HETATM 801 H9 LG1 V 1 -8.873 -2.330 6.713 1.00 0.00 H \r\n< HETATM 802 H10 LG1 V 1 -8.413 -3.736 7.234 1.00 0.00 H \r\n< HETATM 803 H11 LG1 V 1 -11.177 -7.552 2.565 1.00 0.00 H \r\n< HETATM 804 H12 LG1 V 1 -5.968 -2.500 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 806 S1 LG1 W 1 -4.767 4.398 -9.743 1.00 0.00 S \r\n< HETATM 807 S2 LG1 W 1 -3.586 6.611 -8.170 1.00 0.00 S \r\n< HETATM 808 N1 LG1 W 1 -2.694 5.679 -10.511 1.00 0.00 N \r\n< HETATM 809 O1 LG1 W 1 0.332 6.945 -9.243 1.00 0.00 O \r\n< HETATM 810 C1 LG1 W 1 -4.030 3.897 -11.252 1.00 0.00 C \r\n< HETATM 811 O2 LG1 W 1 -2.073 4.618 -12.433 1.00 0.00 O \r\n< HETATM 812 C2 LG1 W 1 -3.591 5.639 -9.474 1.00 0.00 C \r\n< HETATM 813 C3 LG1 W 1 -1.572 6.592 -10.521 1.00 0.00 C \r\n< HETATM 814 C4 LG1 W 1 -7.327 -0.529 -12.816 1.00 0.00 C \r\n< HETATM 815 C5 LG1 W 1 -5.567 1.232 -13.232 1.00 0.00 C \r\n< HETATM 816 C6 LG1 W 1 -2.843 4.719 -11.508 1.00 0.00 C \r\n< HETATM 817 C7 LG1 W 1 -6.561 0.255 -13.666 1.00 0.00 C \r\n< HETATM 818 C8 LG1 W 1 -5.502 2.046 -12.162 1.00 0.00 C \r\n< HETATM 819 C9 LG1 W 1 -0.404 6.022 -9.779 1.00 0.00 C \r\n< HETATM 820 C10 LG1 W 1 -6.746 0.081 -15.021 1.00 0.00 C \r\n< HETATM 821 C11 LG1 W 1 -7.669 -0.810 -15.521 1.00 0.00 C \r\n< HETATM 822 O3 LG1 W 1 -0.192 4.832 -9.712 1.00 0.00 O \r\n< HETATM 823 C12 LG1 W 1 -8.233 -1.428 -13.314 1.00 0.00 C \r\n< HETATM 824 C13 LG1 W 1 -6.547 2.104 -11.085 1.00 0.00 C \r\n< HETATM 825 C14 LG1 W 1 -8.399 -1.580 -14.659 1.00 0.00 C \r\n< HETATM 826 C15 LG1 W 1 -4.386 2.946 -12.120 1.00 0.00 C \r\n< HETATM 827 H13 LG1 W 1 0.953 6.613 -8.810 1.00 0.00 H \r\n< HETATM 828 H1 LG1 W 1 -1.836 7.430 -10.112 1.00 0.00 H \r\n< HETATM 829 H2 LG1 W 1 -1.314 6.772 -11.438 1.00 0.00 H \r\n< HETATM 830 H3 LG1 W 1 -7.223 -0.443 -11.897 1.00 0.00 H \r\n< HETATM 831 H4 LG1 W 1 -4.839 1.307 -13.805 1.00 0.00 H \r\n< HETATM 832 H5 LG1 W 1 -6.233 0.580 -15.614 1.00 0.00 H \r\n< HETATM 833 H6 LG1 W 1 -7.795 -0.888 -16.438 1.00 0.00 H \r\n< HETATM 834 H7 LG1 W 1 -8.741 -1.940 -12.727 1.00 0.00 H \r\n< HETATM 835 H8 LG1 W 1 -7.364 1.717 -11.409 1.00 0.00 H \r\n< HETATM 836 H9 LG1 W 1 -6.702 3.019 -10.839 1.00 0.00 H \r\n< HETATM 837 H10 LG1 W 1 -6.243 1.613 -10.318 1.00 0.00 H \r\n< HETATM 838 H11 LG1 W 1 -9.006 -2.203 -14.986 1.00 0.00 H \r\n< HETATM 839 H12 LG1 W 1 -3.797 2.849 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 841 S1 LG1 Y 1 -6.938 4.398 7.808 1.00 0.00 S \r\n< HETATM 842 S2 LG1 Y 1 -5.756 6.611 9.381 1.00 0.00 S \r\n< HETATM 843 N1 LG1 Y 1 -4.865 5.679 7.040 1.00 0.00 N \r\n< HETATM 844 O1 LG1 Y 1 -1.839 6.945 8.309 1.00 0.00 O \r\n< HETATM 845 C1 LG1 Y 1 -6.201 3.897 6.299 1.00 0.00 C \r\n< HETATM 846 O2 LG1 Y 1 -4.243 4.618 5.118 1.00 0.00 O \r\n< HETATM 847 C2 LG1 Y 1 -5.761 5.639 8.078 1.00 0.00 C \r\n< HETATM 848 C3 LG1 Y 1 -3.743 6.592 7.030 1.00 0.00 C \r\n< HETATM 849 C4 LG1 Y 1 -9.497 -0.529 4.735 1.00 0.00 C \r\n< HETATM 850 C5 LG1 Y 1 -7.737 1.232 4.319 1.00 0.00 C \r\n< HETATM 851 C6 LG1 Y 1 -5.014 4.719 6.044 1.00 0.00 C \r\n< HETATM 852 C7 LG1 Y 1 -8.731 0.255 3.886 1.00 0.00 C \r\n< HETATM 853 C8 LG1 Y 1 -7.672 2.046 5.389 1.00 0.00 C \r\n< HETATM 854 C9 LG1 Y 1 -2.575 6.022 7.772 1.00 0.00 C \r\n< HETATM 855 C10 LG1 Y 1 -8.917 0.081 2.531 1.00 0.00 C \r\n< HETATM 856 C11 LG1 Y 1 -9.839 -0.810 2.031 1.00 0.00 C \r\n< HETATM 857 O3 LG1 Y 1 -2.362 4.832 7.840 1.00 0.00 O \r\n< HETATM 858 C12 LG1 Y 1 -10.404 -1.428 4.237 1.00 0.00 C \r\n< HETATM 859 C13 LG1 Y 1 -8.717 2.104 6.467 1.00 0.00 C \r\n< HETATM 860 C14 LG1 Y 1 -10.570 -1.580 2.893 1.00 0.00 C \r\n< HETATM 861 C15 LG1 Y 1 -6.557 2.946 5.432 1.00 0.00 C \r\n< HETATM 862 H13 LG1 Y 1 -1.217 6.613 8.741 1.00 0.00 H \r\n< HETATM 863 H1 LG1 Y 1 -4.007 7.430 7.439 1.00 0.00 H \r\n< HETATM 864 H2 LG1 Y 1 -3.485 6.772 6.113 1.00 0.00 H \r\n< HETATM 865 H3 LG1 Y 1 -9.394 -0.443 5.655 1.00 0.00 H \r\n< HETATM 866 H4 LG1 Y 1 -7.009 1.307 3.746 1.00 0.00 H \r\n< HETATM 867 H5 LG1 Y 1 -8.403 0.580 1.937 1.00 0.00 H \r\n< HETATM 868 H6 LG1 Y 1 -9.966 -0.888 1.114 1.00 0.00 H \r\n< HETATM 869 H7 LG1 Y 1 -10.912 -1.940 4.824 1.00 0.00 H \r\n< HETATM 870 H8 LG1 Y 1 -9.534 1.717 6.142 1.00 0.00 H \r\n< HETATM 871 H9 LG1 Y 1 -8.873 3.019 6.713 1.00 0.00 H \r\n< HETATM 872 H10 LG1 Y 1 -8.413 1.613 7.234 1.00 0.00 H \r\n< HETATM 873 H11 LG1 Y 1 -11.177 -2.203 2.565 1.00 0.00 H \r\n< HETATM 874 H12 LG1 Y 1 -5.968 2.849 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 876 S1 LG1 Z 1 -4.767 9.747 -9.743 1.00 0.00 S \r\n< HETATM 877 S2 LG1 Z 1 -3.586 11.961 -8.170 1.00 0.00 S \r\n< HETATM 878 N1 LG1 Z 1 -2.694 11.029 -10.511 1.00 0.00 N \r\n< HETATM 879 O1 LG1 Z 1 0.332 12.294 -9.243 1.00 0.00 O \r\n< HETATM 880 C1 LG1 Z 1 -4.030 9.246 -11.252 1.00 0.00 C \r\n< HETATM 881 O2 LG1 Z 1 -2.073 9.967 -12.433 1.00 0.00 O \r\n< HETATM 882 C2 LG1 Z 1 -3.591 10.989 -9.474 1.00 0.00 C \r\n< HETATM 883 C3 LG1 Z 1 -1.572 11.941 -10.521 1.00 0.00 C \r\n< HETATM 884 C4 LG1 Z 1 -7.327 4.820 -12.816 1.00 0.00 C \r\n< HETATM 885 C5 LG1 Z 1 -5.567 6.582 -13.232 1.00 0.00 C \r\n< HETATM 886 C6 LG1 Z 1 -2.843 10.069 -11.508 1.00 0.00 C \r\n< HETATM 887 C7 LG1 Z 1 -6.561 5.605 -13.666 1.00 0.00 C \r\n< HETATM 888 C8 LG1 Z 1 -5.502 7.395 -12.162 1.00 0.00 C \r\n< HETATM 889 C9 LG1 Z 1 -0.404 11.372 -9.779 1.00 0.00 C \r\n< HETATM 890 C10 LG1 Z 1 -6.746 5.431 -15.021 1.00 0.00 C \r\n< HETATM 891 C11 LG1 Z 1 -7.669 4.540 -15.521 1.00 0.00 C \r\n< HETATM 892 O3 LG1 Z 1 -0.192 10.181 -9.712 1.00 0.00 O \r\n< HETATM 893 C12 LG1 Z 1 -8.233 3.921 -13.314 1.00 0.00 C \r\n< HETATM 894 C13 LG1 Z 1 -6.547 7.454 -11.085 1.00 0.00 C \r\n< HETATM 895 C14 LG1 Z 1 -8.399 3.770 -14.659 1.00 0.00 C \r\n< HETATM 896 C15 LG1 Z 1 -4.386 8.295 -12.120 1.00 0.00 C \r\n< HETATM 897 H13 LG1 Z 1 0.953 11.962 -8.810 1.00 0.00 H \r\n< HETATM 898 H1 LG1 Z 1 -1.836 12.780 -10.112 1.00 0.00 H \r\n< HETATM 899 H2 LG1 Z 1 -1.314 12.122 -11.438 1.00 0.00 H \r\n< HETATM 900 H3 LG1 Z 1 -7.223 4.906 -11.897 1.00 0.00 H \r\n< HETATM 901 H4 LG1 Z 1 -4.839 6.657 -13.805 1.00 0.00 H \r\n< HETATM 902 H5 LG1 Z 1 -6.233 5.929 -15.614 1.00 0.00 H \r\n< HETATM 903 H6 LG1 Z 1 -7.795 4.461 -16.438 1.00 0.00 H \r\n< HETATM 904 H7 LG1 Z 1 -8.741 3.409 -12.727 1.00 0.00 H \r\n< HETATM 905 H8 LG1 Z 1 -7.364 7.066 -11.409 1.00 0.00 H \r\n< HETATM 906 H9 LG1 Z 1 -6.702 8.368 -10.839 1.00 0.00 H \r\n< HETATM 907 H10 LG1 Z 1 -6.243 6.963 -10.318 1.00 0.00 H \r\n< HETATM 908 H11 LG1 Z 1 -9.006 3.146 -14.986 1.00 0.00 H \r\n< HETATM 909 H12 LG1 Z 1 -3.797 8.199 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 911 S1 LG1 0 1 -6.938 9.747 7.808 1.00 0.00 S \r\n< HETATM 912 S2 LG1 0 1 -5.756 11.961 9.381 1.00 0.00 S \r\n< HETATM 913 N1 LG1 0 1 -4.865 11.029 7.040 1.00 0.00 N \r\n< HETATM 914 O1 LG1 0 1 -1.839 12.294 8.309 1.00 0.00 O \r\n< HETATM 915 C1 LG1 0 1 -6.201 9.246 6.299 1.00 0.00 C \r\n< HETATM 916 O2 LG1 0 1 -4.243 9.967 5.118 1.00 0.00 O \r\n< HETATM 917 C2 LG1 0 1 -5.761 10.989 8.078 1.00 0.00 C \r\n< HETATM 918 C3 LG1 0 1 -3.743 11.941 7.030 1.00 0.00 C \r\n< HETATM 919 C4 LG1 0 1 -9.497 4.820 4.735 1.00 0.00 C \r\n< HETATM 920 C5 LG1 0 1 -7.737 6.582 4.319 1.00 0.00 C \r\n< HETATM 921 C6 LG1 0 1 -5.014 10.069 6.044 1.00 0.00 C \r\n< HETATM 922 C7 LG1 0 1 -8.731 5.605 3.886 1.00 0.00 C \r\n< HETATM 923 C8 LG1 0 1 -7.672 7.395 5.389 1.00 0.00 C \r\n< HETATM 924 C9 LG1 0 1 -2.575 11.372 7.772 1.00 0.00 C \r\n< HETATM 925 C10 LG1 0 1 -8.917 5.431 2.531 1.00 0.00 C \r\n< HETATM 926 C11 LG1 0 1 -9.839 4.540 2.031 1.00 0.00 C \r\n< HETATM 927 O3 LG1 0 1 -2.362 10.181 7.840 1.00 0.00 O \r\n< HETATM 928 C12 LG1 0 1 -10.404 3.921 4.237 1.00 0.00 C \r\n< HETATM 929 C13 LG1 0 1 -8.717 7.454 6.467 1.00 0.00 C \r\n< HETATM 930 C14 LG1 0 1 -10.570 3.770 2.893 1.00 0.00 C \r\n< HETATM 931 C15 LG1 0 1 -6.557 8.295 5.432 1.00 0.00 C \r\n< HETATM 932 H13 LG1 0 1 -1.217 11.962 8.741 1.00 0.00 H \r\n< HETATM 933 H1 LG1 0 1 -4.007 12.780 7.439 1.00 0.00 H \r\n< HETATM 934 H2 LG1 0 1 -3.485 12.122 6.113 1.00 0.00 H \r\n< HETATM 935 H3 LG1 0 1 -9.394 4.906 5.655 1.00 0.00 H \r\n< HETATM 936 H4 LG1 0 1 -7.009 6.657 3.746 1.00 0.00 H \r\n< HETATM 937 H5 LG1 0 1 -8.403 5.929 1.937 1.00 0.00 H \r\n< HETATM 938 H6 LG1 0 1 -9.966 4.461 1.114 1.00 0.00 H \r\n< HETATM 939 H7 LG1 0 1 -10.912 3.409 4.824 1.00 0.00 H \r\n< HETATM 940 H8 LG1 0 1 -9.534 7.066 6.142 1.00 0.00 H \r\n< HETATM 941 H9 LG1 0 1 -8.873 8.368 6.713 1.00 0.00 H \r\n< HETATM 942 H10 LG1 0 1 -8.413 6.963 7.234 1.00 0.00 H \r\n< HETATM 943 H11 LG1 0 1 -11.177 3.146 2.565 1.00 0.00 H \r\n< HETATM 944 H12 LG1 0 1 -5.968 8.199 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 946 S1 LG1 1 1 -6.938 15.097 7.808 1.00 0.00 S \r\n< HETATM 947 S2 LG1 1 1 -5.756 17.310 9.381 1.00 0.00 S \r\n< HETATM 948 N1 LG1 1 1 -4.865 16.378 7.040 1.00 0.00 N \r\n< HETATM 949 O1 LG1 1 1 -1.839 17.644 8.309 1.00 0.00 O \r\n< HETATM 950 C1 LG1 1 1 -6.201 14.595 6.299 1.00 0.00 C \r\n< HETATM 951 O2 LG1 1 1 -4.243 15.317 5.118 1.00 0.00 O \r\n< HETATM 952 C2 LG1 1 1 -5.761 16.338 8.078 1.00 0.00 C \r\n< HETATM 953 C3 LG1 1 1 -3.743 17.290 7.030 1.00 0.00 C \r\n< HETATM 954 C4 LG1 1 1 -9.497 10.170 4.735 1.00 0.00 C \r\n< HETATM 955 C5 LG1 1 1 -7.737 11.931 4.319 1.00 0.00 C \r\n< HETATM 956 C6 LG1 1 1 -5.014 15.418 6.044 1.00 0.00 C \r\n< HETATM 957 C7 LG1 1 1 -8.731 10.954 3.886 1.00 0.00 C \r\n< HETATM 958 C8 LG1 1 1 -7.672 12.744 5.389 1.00 0.00 C \r\n< HETATM 959 C9 LG1 1 1 -2.575 16.721 7.772 1.00 0.00 C \r\n< HETATM 960 C10 LG1 1 1 -8.917 10.780 2.531 1.00 0.00 C \r\n< HETATM 961 C11 LG1 1 1 -9.839 9.889 2.031 1.00 0.00 C \r\n< HETATM 962 O3 LG1 1 1 -2.362 15.531 7.840 1.00 0.00 O \r\n< HETATM 963 C12 LG1 1 1 -10.404 9.271 4.237 1.00 0.00 C \r\n< HETATM 964 C13 LG1 1 1 -8.717 12.803 6.467 1.00 0.00 C \r\n< HETATM 965 C14 LG1 1 1 -10.570 9.119 2.893 1.00 0.00 C \r\n< HETATM 966 C15 LG1 1 1 -6.557 13.645 5.432 1.00 0.00 C \r\n< HETATM 967 H13 LG1 1 1 -1.217 17.311 8.741 1.00 0.00 H \r\n< HETATM 968 H1 LG1 1 1 -4.007 18.129 7.439 1.00 0.00 H \r\n< HETATM 969 H2 LG1 1 1 -3.485 17.471 6.113 1.00 0.00 H \r\n< HETATM 970 H3 LG1 1 1 -9.394 10.255 5.655 1.00 0.00 H \r\n< HETATM 971 H4 LG1 1 1 -7.009 12.006 3.746 1.00 0.00 H \r\n< HETATM 972 H5 LG1 1 1 -8.403 11.279 1.937 1.00 0.00 H \r\n< HETATM 973 H6 LG1 1 1 -9.966 9.810 1.114 1.00 0.00 H \r\n< HETATM 974 H7 LG1 1 1 -10.912 8.758 4.824 1.00 0.00 H \r\n< HETATM 975 H8 LG1 1 1 -9.534 12.416 6.142 1.00 0.00 H \r\n< HETATM 976 H9 LG1 1 1 -8.873 13.718 6.713 1.00 0.00 H \r\n< HETATM 977 H10 LG1 1 1 -8.413 12.312 7.234 1.00 0.00 H \r\n< HETATM 978 H11 LG1 1 1 -11.177 8.496 2.565 1.00 0.00 H \r\n< HETATM 979 H12 LG1 1 1 -5.968 13.548 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 981 S1 LG1 2 1 7.713 -6.301 7.808 1.00 0.00 S \r\n< HETATM 982 S2 LG1 2 1 8.895 -4.087 9.381 1.00 0.00 S \r\n< HETATM 983 N1 LG1 2 1 9.786 -5.019 7.040 1.00 0.00 N \r\n< HETATM 984 O1 LG1 2 1 12.812 -3.754 8.309 1.00 0.00 O \r\n< HETATM 985 C1 LG1 2 1 8.450 -6.802 6.299 1.00 0.00 C \r\n< HETATM 986 O2 LG1 2 1 10.408 -6.081 5.118 1.00 0.00 O \r\n< HETATM 987 C2 LG1 2 1 8.890 -5.059 8.078 1.00 0.00 C \r\n< HETATM 988 C3 LG1 2 1 10.908 -4.107 7.030 1.00 0.00 C \r\n< HETATM 989 C4 LG1 2 1 5.153 -11.228 4.735 1.00 0.00 C \r\n< HETATM 990 C5 LG1 2 1 6.914 -9.466 4.319 1.00 0.00 C \r\n< HETATM 991 C6 LG1 2 1 9.637 -5.979 6.044 1.00 0.00 C \r\n< HETATM 992 C7 LG1 2 1 5.919 -10.443 3.886 1.00 0.00 C \r\n< HETATM 993 C8 LG1 2 1 6.978 -8.653 5.389 1.00 0.00 C \r\n< HETATM 994 C9 LG1 2 1 12.076 -4.676 7.772 1.00 0.00 C \r\n< HETATM 995 C10 LG1 2 1 5.734 -10.618 2.531 1.00 0.00 C \r\n< HETATM 996 C11 LG1 2 1 4.812 -11.508 2.031 1.00 0.00 C \r\n< HETATM 997 O3 LG1 2 1 12.288 -5.867 7.840 1.00 0.00 O \r\n< HETATM 998 C12 LG1 2 1 4.247 -12.127 4.237 1.00 0.00 C \r\n< HETATM 999 C13 LG1 2 1 5.934 -8.594 6.467 1.00 0.00 C \r\n< HETATM 1000 C14 LG1 2 1 4.081 -12.278 2.893 1.00 0.00 C \r\n< HETATM 1001 C15 LG1 2 1 8.094 -7.753 5.432 1.00 0.00 C \r\n< HETATM 1002 H13 LG1 2 1 13.433 -4.086 8.741 1.00 0.00 H \r\n< HETATM 1003 H1 LG1 2 1 10.644 -3.269 7.439 1.00 0.00 H \r\n< HETATM 1004 H2 LG1 2 1 11.166 -3.926 6.113 1.00 0.00 H \r\n< HETATM 1005 H3 LG1 2 1 5.257 -11.142 5.655 1.00 0.00 H \r\n< HETATM 1006 H4 LG1 2 1 7.642 -9.391 3.746 1.00 0.00 H \r\n< HETATM 1007 H5 LG1 2 1 6.248 -10.119 1.937 1.00 0.00 H \r\n< HETATM 1008 H6 LG1 2 1 4.685 -11.587 1.114 1.00 0.00 H \r\n< HETATM 1009 H7 LG1 2 1 3.739 -12.639 4.824 1.00 0.00 H \r\n< HETATM 1010 H8 LG1 2 1 5.116 -8.982 6.142 1.00 0.00 H \r\n< HETATM 1011 H9 LG1 2 1 5.778 -7.680 6.713 1.00 0.00 H \r\n< HETATM 1012 H10 LG1 2 1 6.238 -9.086 7.234 1.00 0.00 H \r\n< HETATM 1013 H11 LG1 2 1 3.474 -12.902 2.565 1.00 0.00 H \r\n< HETATM 1014 H12 LG1 2 1 8.683 -7.849 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 1016 S1 LG1 3 1 9.884 -0.951 -9.743 1.00 0.00 S \r\n< HETATM 1017 S2 LG1 3 1 11.065 1.262 -8.170 1.00 0.00 S \r\n< HETATM 1018 N1 LG1 3 1 11.957 0.330 -10.511 1.00 0.00 N \r\n< HETATM 1019 O1 LG1 3 1 14.983 1.596 -9.243 1.00 0.00 O \r\n< HETATM 1020 C1 LG1 3 1 10.621 -1.453 -11.252 1.00 0.00 C \r\n< HETATM 1021 O2 LG1 3 1 12.578 -0.731 -12.433 1.00 0.00 O \r\n< HETATM 1022 C2 LG1 3 1 11.060 0.290 -9.474 1.00 0.00 C \r\n< HETATM 1023 C3 LG1 3 1 13.078 1.242 -10.521 1.00 0.00 C \r\n< HETATM 1024 C4 LG1 3 1 7.324 -5.878 -12.816 1.00 0.00 C \r\n< HETATM 1025 C5 LG1 3 1 9.084 -4.117 -13.232 1.00 0.00 C \r\n< HETATM 1026 C6 LG1 3 1 11.808 -0.630 -11.508 1.00 0.00 C \r\n< HETATM 1027 C7 LG1 3 1 8.090 -5.094 -13.666 1.00 0.00 C \r\n< HETATM 1028 C8 LG1 3 1 9.149 -3.304 -12.162 1.00 0.00 C \r\n< HETATM 1029 C9 LG1 3 1 14.247 0.673 -9.779 1.00 0.00 C \r\n< HETATM 1030 C10 LG1 3 1 7.905 -5.268 -15.021 1.00 0.00 C \r\n< HETATM 1031 C11 LG1 3 1 6.982 -6.159 -15.521 1.00 0.00 C \r\n< HETATM 1032 O3 LG1 3 1 14.459 -0.518 -9.712 1.00 0.00 O \r\n< HETATM 1033 C12 LG1 3 1 6.418 -6.777 -13.314 1.00 0.00 C \r\n< HETATM 1034 C13 LG1 3 1 8.104 -3.245 -11.085 1.00 0.00 C \r\n< HETATM 1035 C14 LG1 3 1 6.252 -6.929 -14.659 1.00 0.00 C \r\n< HETATM 1036 C15 LG1 3 1 10.264 -2.403 -12.120 1.00 0.00 C \r\n< HETATM 1037 H13 LG1 3 1 15.604 1.263 -8.810 1.00 0.00 H \r\n< HETATM 1038 H1 LG1 3 1 12.815 2.081 -10.112 1.00 0.00 H \r\n< HETATM 1039 H2 LG1 3 1 13.337 1.423 -11.438 1.00 0.00 H \r\n< HETATM 1040 H3 LG1 3 1 7.427 -5.793 -11.897 1.00 0.00 H \r\n< HETATM 1041 H4 LG1 3 1 9.812 -4.042 -13.805 1.00 0.00 H \r\n< HETATM 1042 H5 LG1 3 1 8.418 -4.769 -15.614 1.00 0.00 H \r\n< HETATM 1043 H6 LG1 3 1 6.856 -6.238 -16.438 1.00 0.00 H \r\n< HETATM 1044 H7 LG1 3 1 5.910 -7.290 -12.727 1.00 0.00 H \r\n< HETATM 1045 H8 LG1 3 1 7.287 -3.632 -11.409 1.00 0.00 H \r\n< HETATM 1046 H9 LG1 3 1 7.949 -2.330 -10.839 1.00 0.00 H \r\n< HETATM 1047 H10 LG1 3 1 8.408 -3.736 -10.318 1.00 0.00 H \r\n< HETATM 1048 H11 LG1 3 1 5.645 -7.552 -14.986 1.00 0.00 H \r\n< HETATM 1049 H12 LG1 3 1 10.853 -2.500 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 1051 S1 LG1 4 1 7.713 -0.951 7.808 1.00 0.00 S \r\n< HETATM 1052 S2 LG1 4 1 8.895 1.262 9.381 1.00 0.00 S \r\n< HETATM 1053 N1 LG1 4 1 9.786 0.330 7.040 1.00 0.00 N \r\n< HETATM 1054 O1 LG1 4 1 12.812 1.596 8.309 1.00 0.00 O \r\n< HETATM 1055 C1 LG1 4 1 8.450 -1.453 6.299 1.00 0.00 C \r\n< HETATM 1056 O2 LG1 4 1 10.408 -0.731 5.118 1.00 0.00 O \r\n< HETATM 1057 C2 LG1 4 1 8.890 0.290 8.078 1.00 0.00 C \r\n< HETATM 1058 C3 LG1 4 1 10.908 1.242 7.030 1.00 0.00 C \r\n< HETATM 1059 C4 LG1 4 1 5.153 -5.878 4.735 1.00 0.00 C \r\n< HETATM 1060 C5 LG1 4 1 6.914 -4.117 4.319 1.00 0.00 C \r\n< HETATM 1061 C6 LG1 4 1 9.637 -0.630 6.044 1.00 0.00 C \r\n< HETATM 1062 C7 LG1 4 1 5.919 -5.094 3.886 1.00 0.00 C \r\n< HETATM 1063 C8 LG1 4 1 6.978 -3.304 5.389 1.00 0.00 C \r\n< HETATM 1064 C9 LG1 4 1 12.076 0.673 7.772 1.00 0.00 C \r\n< HETATM 1065 C10 LG1 4 1 5.734 -5.268 2.531 1.00 0.00 C \r\n< HETATM 1066 C11 LG1 4 1 4.812 -6.159 2.031 1.00 0.00 C \r\n< HETATM 1067 O3 LG1 4 1 12.288 -0.518 7.840 1.00 0.00 O \r\n< HETATM 1068 C12 LG1 4 1 4.247 -6.777 4.237 1.00 0.00 C \r\n< HETATM 1069 C13 LG1 4 1 5.934 -3.245 6.467 1.00 0.00 C \r\n< HETATM 1070 C14 LG1 4 1 4.081 -6.929 2.893 1.00 0.00 C \r\n< HETATM 1071 C15 LG1 4 1 8.094 -2.403 5.432 1.00 0.00 C \r\n< HETATM 1072 H13 LG1 4 1 13.433 1.263 8.741 1.00 0.00 H \r\n< HETATM 1073 H1 LG1 4 1 10.644 2.081 7.439 1.00 0.00 H \r\n< HETATM 1074 H2 LG1 4 1 11.166 1.423 6.113 1.00 0.00 H \r\n< HETATM 1075 H3 LG1 4 1 5.257 -5.793 5.655 1.00 0.00 H \r\n< HETATM 1076 H4 LG1 4 1 7.642 -4.042 3.746 1.00 0.00 H \r\n< HETATM 1077 H5 LG1 4 1 6.248 -4.769 1.937 1.00 0.00 H \r\n< HETATM 1078 H6 LG1 4 1 4.685 -6.238 1.114 1.00 0.00 H \r\n< HETATM 1079 H7 LG1 4 1 3.739 -7.290 4.824 1.00 0.00 H \r\n< HETATM 1080 H8 LG1 4 1 5.116 -3.632 6.142 1.00 0.00 H \r\n< HETATM 1081 H9 LG1 4 1 5.778 -2.330 6.713 1.00 0.00 H \r\n< HETATM 1082 H10 LG1 4 1 6.238 -3.736 7.234 1.00 0.00 H \r\n< HETATM 1083 H11 LG1 4 1 3.474 -7.552 2.565 1.00 0.00 H \r\n< HETATM 1084 H12 LG1 4 1 8.683 -2.500 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 1086 S1 LG1 5 1 9.884 4.398 -9.743 1.00 0.00 S \r\n< HETATM 1087 S2 LG1 5 1 11.065 6.611 -8.170 1.00 0.00 S \r\n< HETATM 1088 N1 LG1 5 1 11.957 5.679 -10.511 1.00 0.00 N \r\n< HETATM 1089 O1 LG1 5 1 14.983 6.945 -9.243 1.00 0.00 O \r\n< HETATM 1090 C1 LG1 5 1 10.621 3.897 -11.252 1.00 0.00 C \r\n< HETATM 1091 O2 LG1 5 1 12.578 4.618 -12.433 1.00 0.00 O \r\n< HETATM 1092 C2 LG1 5 1 11.060 5.639 -9.474 1.00 0.00 C \r\n< HETATM 1093 C3 LG1 5 1 13.078 6.592 -10.521 1.00 0.00 C \r\n< HETATM 1094 C4 LG1 5 1 7.324 -0.529 -12.816 1.00 0.00 C \r\n< HETATM 1095 C5 LG1 5 1 9.084 1.232 -13.232 1.00 0.00 C \r\n< HETATM 1096 C6 LG1 5 1 11.808 4.719 -11.508 1.00 0.00 C \r\n< HETATM 1097 C7 LG1 5 1 8.090 0.255 -13.666 1.00 0.00 C \r\n< HETATM 1098 C8 LG1 5 1 9.149 2.046 -12.162 1.00 0.00 C \r\n< HETATM 1099 C9 LG1 5 1 14.247 6.022 -9.779 1.00 0.00 C \r\n< HETATM 1100 C10 LG1 5 1 7.905 0.081 -15.021 1.00 0.00 C \r\n< HETATM 1101 C11 LG1 5 1 6.982 -0.810 -15.521 1.00 0.00 C \r\n< HETATM 1102 O3 LG1 5 1 14.459 4.832 -9.712 1.00 0.00 O \r\n< HETATM 1103 C12 LG1 5 1 6.418 -1.428 -13.314 1.00 0.00 C \r\n< HETATM 1104 C13 LG1 5 1 8.104 2.104 -11.085 1.00 0.00 C \r\n< HETATM 1105 C14 LG1 5 1 6.252 -1.580 -14.659 1.00 0.00 C \r\n< HETATM 1106 C15 LG1 5 1 10.264 2.946 -12.120 1.00 0.00 C \r\n< HETATM 1107 H13 LG1 5 1 15.604 6.613 -8.810 1.00 0.00 H \r\n< HETATM 1108 H1 LG1 5 1 12.815 7.430 -10.112 1.00 0.00 H \r\n< HETATM 1109 H2 LG1 5 1 13.337 6.772 -11.438 1.00 0.00 H \r\n< HETATM 1110 H3 LG1 5 1 7.427 -0.443 -11.897 1.00 0.00 H \r\n< HETATM 1111 H4 LG1 5 1 9.812 1.307 -13.805 1.00 0.00 H \r\n< HETATM 1112 H5 LG1 5 1 8.418 0.580 -15.614 1.00 0.00 H \r\n< HETATM 1113 H6 LG1 5 1 6.856 -0.888 -16.438 1.00 0.00 H \r\n< HETATM 1114 H7 LG1 5 1 5.910 -1.940 -12.727 1.00 0.00 H \r\n< HETATM 1115 H8 LG1 5 1 7.287 1.717 -11.409 1.00 0.00 H \r\n< HETATM 1116 H9 LG1 5 1 7.949 3.019 -10.839 1.00 0.00 H \r\n< HETATM 1117 H10 LG1 5 1 8.408 1.613 -10.318 1.00 0.00 H \r\n< HETATM 1118 H11 LG1 5 1 5.645 -2.203 -14.986 1.00 0.00 H \r\n< HETATM 1119 H12 LG1 5 1 10.853 2.849 -12.834 1.00 0.00 H \r\n< TER \r\n< HETATM 1121 S1 LG1 6 1 7.713 4.398 7.808 1.00 0.00 S \r\n< HETATM 1122 S2 LG1 6 1 8.895 6.611 9.381 1.00 0.00 S \r\n< HETATM 1123 N1 LG1 6 1 9.786 5.679 7.040 1.00 0.00 N \r\n< HETATM 1124 O1 LG1 6 1 12.812 6.945 8.309 1.00 0.00 O \r\n< HETATM 1125 C1 LG1 6 1 8.450 3.897 6.299 1.00 0.00 C \r\n< HETATM 1126 O2 LG1 6 1 10.408 4.618 5.118 1.00 0.00 O \r\n< HETATM 1127 C2 LG1 6 1 8.890 5.639 8.078 1.00 0.00 C \r\n< HETATM 1128 C3 LG1 6 1 10.908 6.592 7.030 1.00 0.00 C \r\n< HETATM 1129 C4 LG1 6 1 5.153 -0.529 4.735 1.00 0.00 C \r\n< HETATM 1130 C5 LG1 6 1 6.914 1.232 4.319 1.00 0.00 C \r\n< HETATM 1131 C6 LG1 6 1 9.637 4.719 6.044 1.00 0.00 C \r\n< HETATM 1132 C7 LG1 6 1 5.919 0.255 3.886 1.00 0.00 C \r\n< HETATM 1133 C8 LG1 6 1 6.978 2.046 5.389 1.00 0.00 C \r\n< HETATM 1134 C9 LG1 6 1 12.076 6.022 7.772 1.00 0.00 C \r\n< HETATM 1135 C10 LG1 6 1 5.734 0.081 2.531 1.00 0.00 C \r\n< HETATM 1136 C11 LG1 6 1 4.812 -0.810 2.031 1.00 0.00 C \r\n< HETATM 1137 O3 LG1 6 1 12.288 4.832 7.840 1.00 0.00 O \r\n< HETATM 1138 C12 LG1 6 1 4.247 -1.428 4.237 1.00 0.00 C \r\n< HETATM 1139 C13 LG1 6 1 5.934 2.104 6.467 1.00 0.00 C \r\n< HETATM 1140 C14 LG1 6 1 4.081 -1.580 2.893 1.00 0.00 C \r\n< HETATM 1141 C15 LG1 6 1 8.094 2.946 5.432 1.00 0.00 C \r\n< HETATM 1142 H13 LG1 6 1 13.433 6.613 8.741 1.00 0.00 H \r\n< HETATM 1143 H1 LG1 6 1 10.644 7.430 7.439 1.00 0.00 H \r\n< HETATM 1144 H2 LG1 6 1 11.166 6.772 6.113 1.00 0.00 H \r\n< HETATM 1145 H3 LG1 6 1 5.257 -0.443 5.655 1.00 0.00 H \r\n< HETATM 1146 H4 LG1 6 1 7.642 1.307 3.746 1.00 0.00 H \r\n< HETATM 1147 H5 LG1 6 1 6.248 0.580 1.937 1.00 0.00 H \r\n< HETATM 1148 H6 LG1 6 1 4.685 -0.888 1.114 1.00 0.00 H \r\n< HETATM 1149 H7 LG1 6 1 3.739 -1.940 4.824 1.00 0.00 H \r\n< HETATM 1150 H8 LG1 6 1 5.116 1.717 6.142 1.00 0.00 H \r\n< HETATM 1151 H9 LG1 6 1 5.778 3.019 6.713 1.00 0.00 H \r\n< HETATM 1152 H10 LG1 6 1 6.238 1.613 7.234 1.00 0.00 H \r\n< HETATM 1153 H11 LG1 6 1 3.474 -2.203 2.565 1.00 0.00 H \r\n< HETATM 1154 H12 LG1 6 1 8.683 2.849 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 1156 S1 LG1 7 1 7.713 9.747 7.808 1.00 0.00 S \r\n< HETATM 1157 S2 LG1 7 1 8.895 11.961 9.381 1.00 0.00 S \r\n< HETATM 1158 N1 LG1 7 1 9.786 11.029 7.040 1.00 0.00 N \r\n< HETATM 1159 O1 LG1 7 1 12.812 12.294 8.309 1.00 0.00 O \r\n< HETATM 1160 C1 LG1 7 1 8.450 9.246 6.299 1.00 0.00 C \r\n< HETATM 1161 O2 LG1 7 1 10.408 9.967 5.118 1.00 0.00 O \r\n< HETATM 1162 C2 LG1 7 1 8.890 10.989 8.078 1.00 0.00 C \r\n< HETATM 1163 C3 LG1 7 1 10.908 11.941 7.030 1.00 0.00 C \r\n< HETATM 1164 C4 LG1 7 1 5.153 4.820 4.735 1.00 0.00 C \r\n< HETATM 1165 C5 LG1 7 1 6.914 6.582 4.319 1.00 0.00 C \r\n< HETATM 1166 C6 LG1 7 1 9.637 10.069 6.044 1.00 0.00 C \r\n< HETATM 1167 C7 LG1 7 1 5.919 5.605 3.886 1.00 0.00 C \r\n< HETATM 1168 C8 LG1 7 1 6.978 7.395 5.389 1.00 0.00 C \r\n< HETATM 1169 C9 LG1 7 1 12.076 11.372 7.772 1.00 0.00 C \r\n< HETATM 1170 C10 LG1 7 1 5.734 5.431 2.531 1.00 0.00 C \r\n< HETATM 1171 C11 LG1 7 1 4.812 4.540 2.031 1.00 0.00 C \r\n< HETATM 1172 O3 LG1 7 1 12.288 10.181 7.840 1.00 0.00 O \r\n< HETATM 1173 C12 LG1 7 1 4.247 3.921 4.237 1.00 0.00 C \r\n< HETATM 1174 C13 LG1 7 1 5.934 7.454 6.467 1.00 0.00 C \r\n< HETATM 1175 C14 LG1 7 1 4.081 3.770 2.893 1.00 0.00 C \r\n< HETATM 1176 C15 LG1 7 1 8.094 8.295 5.432 1.00 0.00 C \r\n< HETATM 1177 H13 LG1 7 1 13.433 11.962 8.741 1.00 0.00 H \r\n< HETATM 1178 H1 LG1 7 1 10.644 12.780 7.439 1.00 0.00 H \r\n< HETATM 1179 H2 LG1 7 1 11.166 12.122 6.113 1.00 0.00 H \r\n< HETATM 1180 H3 LG1 7 1 5.257 4.906 5.655 1.00 0.00 H \r\n< HETATM 1181 H4 LG1 7 1 7.642 6.657 3.746 1.00 0.00 H \r\n< HETATM 1182 H5 LG1 7 1 6.248 5.929 1.937 1.00 0.00 H \r\n< HETATM 1183 H6 LG1 7 1 4.685 4.461 1.114 1.00 0.00 H \r\n< HETATM 1184 H7 LG1 7 1 3.739 3.409 4.824 1.00 0.00 H \r\n< HETATM 1185 H8 LG1 7 1 5.116 7.066 6.142 1.00 0.00 H \r\n< HETATM 1186 H9 LG1 7 1 5.778 8.368 6.713 1.00 0.00 H \r\n< HETATM 1187 H10 LG1 7 1 6.238 6.963 7.234 1.00 0.00 H \r\n< HETATM 1188 H11 LG1 7 1 3.474 3.146 2.565 1.00 0.00 H \r\n< HETATM 1189 H12 LG1 7 1 8.683 8.199 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 1191 S1 LG1 8 1 7.713 15.097 7.808 1.00 0.00 S \r\n< HETATM 1192 S2 LG1 8 1 8.895 17.310 9.381 1.00 0.00 S \r\n< HETATM 1193 N1 LG1 8 1 9.786 16.378 7.040 1.00 0.00 N \r\n< HETATM 1194 O1 LG1 8 1 12.812 17.644 8.309 1.00 0.00 O \r\n< HETATM 1195 C1 LG1 8 1 8.450 14.595 6.299 1.00 0.00 C \r\n< HETATM 1196 O2 LG1 8 1 10.408 15.317 5.118 1.00 0.00 O \r\n< HETATM 1197 C2 LG1 8 1 8.890 16.338 8.078 1.00 0.00 C \r\n< HETATM 1198 C3 LG1 8 1 10.908 17.290 7.030 1.00 0.00 C \r\n< HETATM 1199 C4 LG1 8 1 5.153 10.170 4.735 1.00 0.00 C \r\n< HETATM 1200 C5 LG1 8 1 6.914 11.931 4.319 1.00 0.00 C \r\n< HETATM 1201 C6 LG1 8 1 9.637 15.418 6.044 1.00 0.00 C \r\n< HETATM 1202 C7 LG1 8 1 5.919 10.954 3.886 1.00 0.00 C \r\n< HETATM 1203 C8 LG1 8 1 6.978 12.744 5.389 1.00 0.00 C \r\n< HETATM 1204 C9 LG1 8 1 12.076 16.721 7.772 1.00 0.00 C \r\n< HETATM 1205 C10 LG1 8 1 5.734 10.780 2.531 1.00 0.00 C \r\n< HETATM 1206 C11 LG1 8 1 4.812 9.889 2.031 1.00 0.00 C \r\n< HETATM 1207 O3 LG1 8 1 12.288 15.531 7.840 1.00 0.00 O \r\n< HETATM 1208 C12 LG1 8 1 4.247 9.271 4.237 1.00 0.00 C \r\n< HETATM 1209 C13 LG1 8 1 5.934 12.803 6.467 1.00 0.00 C \r\n< HETATM 1210 C14 LG1 8 1 4.081 9.119 2.893 1.00 0.00 C \r\n< HETATM 1211 C15 LG1 8 1 8.094 13.645 5.432 1.00 0.00 C \r\n< HETATM 1212 H13 LG1 8 1 13.433 17.311 8.741 1.00 0.00 H \r\n< HETATM 1213 H1 LG1 8 1 10.644 18.129 7.439 1.00 0.00 H \r\n< HETATM 1214 H2 LG1 8 1 11.166 17.471 6.113 1.00 0.00 H \r\n< HETATM 1215 H3 LG1 8 1 5.257 10.255 5.655 1.00 0.00 H \r\n< HETATM 1216 H4 LG1 8 1 7.642 12.006 3.746 1.00 0.00 H \r\n< HETATM 1217 H5 LG1 8 1 6.248 11.279 1.937 1.00 0.00 H \r\n< HETATM 1218 H6 LG1 8 1 4.685 9.810 1.114 1.00 0.00 H \r\n< HETATM 1219 H7 LG1 8 1 3.739 8.758 4.824 1.00 0.00 H \r\n< HETATM 1220 H8 LG1 8 1 5.116 12.416 6.142 1.00 0.00 H \r\n< HETATM 1221 H9 LG1 8 1 5.778 13.718 6.713 1.00 0.00 H \r\n< HETATM 1222 H10 LG1 8 1 6.238 12.312 7.234 1.00 0.00 H \r\n< HETATM 1223 H11 LG1 8 1 3.474 8.496 2.565 1.00 0.00 H \r\n< HETATM 1224 H12 LG1 8 1 8.683 13.548 4.718 1.00 0.00 H \r\n< TER \r\n< HETATM 1226 S1 LG1 9 1 -13.178 -7.057 -0.967 1.00 0.00 S \r\n< HETATM 1227 S2 LG1 9 1 -11.996 -9.271 0.605 1.00 0.00 S \r\n< HETATM 1228 N1 LG1 9 1 -11.105 -8.339 -1.735 1.00 0.00 N \r\n< HETATM 1229 O1 LG1 9 1 -8.079 -9.604 -0.467 1.00 0.00 O \r\n< HETATM 1230 C1 LG1 9 1 -12.441 -6.556 -2.476 1.00 0.00 C \r\n< HETATM 1231 O2 LG1 9 1 -10.483 -7.277 -3.657 1.00 0.00 O \r\n< HETATM 1232 C2 LG1 9 1 -12.001 -8.299 -0.698 1.00 0.00 C \r\n< HETATM 1233 C3 LG1 9 1 -9.983 -9.251 -1.746 1.00 0.00 C \r\n< HETATM 1234 C4 LG1 9 1 -15.738 -2.130 -4.040 1.00 0.00 C \r\n< HETATM 1235 C5 LG1 9 1 -13.977 -3.892 -4.456 1.00 0.00 C \r\n< HETATM 1236 C6 LG1 9 1 -11.254 -7.379 -2.732 1.00 0.00 C \r\n< HETATM 1237 C7 LG1 9 1 -14.972 -2.915 -4.890 1.00 0.00 C \r\n< HETATM 1238 C8 LG1 9 1 -13.913 -4.705 -3.386 1.00 0.00 C \r\n< HETATM 1239 C9 LG1 9 1 -8.815 -8.682 -1.003 1.00 0.00 C \r\n< HETATM 1240 C10 LG1 9 1 -15.157 -2.740 -6.245 1.00 0.00 C \r\n< HETATM 1241 C11 LG1 9 1 -16.079 -1.850 -6.745 1.00 0.00 C \r\n< HETATM 1242 O3 LG1 9 1 -8.603 -7.491 -0.936 1.00 0.00 O \r\n< HETATM 1243 C12 LG1 9 1 -16.644 -1.231 -4.538 1.00 0.00 C \r\n< HETATM 1244 C13 LG1 9 1 -14.957 -4.764 -2.309 1.00 0.00 C \r\n< HETATM 1245 C14 LG1 9 1 -16.810 -1.080 -5.883 1.00 0.00 C \r\n< HETATM 1246 C15 LG1 9 1 -12.797 -5.605 -3.344 1.00 0.00 C \r\n< HETATM 1247 H13 LG1 9 1 -7.458 -9.272 -0.035 1.00 0.00 H \r\n< HETATM 1248 H1 LG1 9 1 -10.247 -10.089 -1.337 1.00 0.00 H \r\n< HETATM 1249 H2 LG1 9 1 -9.725 -9.432 -2.663 1.00 0.00 H \r\n< HETATM 1250 H3 LG1 9 1 -15.634 -2.216 -3.121 1.00 0.00 H \r\n< HETATM 1251 H4 LG1 9 1 -13.249 -3.967 -5.030 1.00 0.00 H \r\n< HETATM 1252 H5 LG1 9 1 -14.643 -3.239 -6.839 1.00 0.00 H \r\n< HETATM 1253 H6 LG1 9 1 -16.206 -1.771 -7.662 1.00 0.00 H \r\n< HETATM 1254 H7 LG1 9 1 -17.152 -0.719 -3.951 1.00 0.00 H \r\n< HETATM 1255 H8 LG1 9 1 -15.775 -4.376 -2.634 1.00 0.00 H \r\n< HETATM 1256 H9 LG1 9 1 -15.113 -5.678 -2.063 1.00 0.00 H \r\n< HETATM 1257 H10 LG1 9 1 -14.653 -4.272 -1.542 1.00 0.00 H \r\n< HETATM 1258 H11 LG1 9 1 -17.417 -0.456 -6.211 1.00 0.00 H \r\n< HETATM 1259 H12 LG1 9 1 -12.208 -5.508 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1261 S1 LG1 a 1 -13.178 -1.708 -0.967 1.00 0.00 S \r\n< HETATM 1262 S2 LG1 a 1 -11.996 -3.921 0.605 1.00 0.00 S \r\n< HETATM 1263 N1 LG1 a 1 -11.105 -2.989 -1.735 1.00 0.00 N \r\n< HETATM 1264 O1 LG1 a 1 -8.079 -4.255 -0.467 1.00 0.00 O \r\n< HETATM 1265 C1 LG1 a 1 -12.441 -1.207 -2.476 1.00 0.00 C \r\n< HETATM 1266 O2 LG1 a 1 -10.483 -1.928 -3.657 1.00 0.00 O \r\n< HETATM 1267 C2 LG1 a 1 -12.001 -2.949 -0.698 1.00 0.00 C \r\n< HETATM 1268 C3 LG1 a 1 -9.983 -3.901 -1.746 1.00 0.00 C \r\n< HETATM 1269 C4 LG1 a 1 -15.738 3.219 -4.040 1.00 0.00 C \r\n< HETATM 1270 C5 LG1 a 1 -13.977 1.458 -4.456 1.00 0.00 C \r\n< HETATM 1271 C6 LG1 a 1 -11.254 -2.029 -2.732 1.00 0.00 C \r\n< HETATM 1272 C7 LG1 a 1 -14.972 2.435 -4.890 1.00 0.00 C \r\n< HETATM 1273 C8 LG1 a 1 -13.913 0.645 -3.386 1.00 0.00 C \r\n< HETATM 1274 C9 LG1 a 1 -8.815 -3.332 -1.003 1.00 0.00 C \r\n< HETATM 1275 C10 LG1 a 1 -15.157 2.609 -6.245 1.00 0.00 C \r\n< HETATM 1276 C11 LG1 a 1 -16.079 3.500 -6.745 1.00 0.00 C \r\n< HETATM 1277 O3 LG1 a 1 -8.603 -2.142 -0.936 1.00 0.00 O \r\n< HETATM 1278 C12 LG1 a 1 -16.644 4.118 -4.538 1.00 0.00 C \r\n< HETATM 1279 C13 LG1 a 1 -14.957 0.586 -2.309 1.00 0.00 C \r\n< HETATM 1280 C14 LG1 a 1 -16.810 4.270 -5.883 1.00 0.00 C \r\n< HETATM 1281 C15 LG1 a 1 -12.797 -0.256 -3.344 1.00 0.00 C \r\n< HETATM 1282 H13 LG1 a 1 -7.458 -3.923 -0.035 1.00 0.00 H \r\n< HETATM 1283 H1 LG1 a 1 -10.247 -4.740 -1.337 1.00 0.00 H \r\n< HETATM 1284 H2 LG1 a 1 -9.725 -4.082 -2.663 1.00 0.00 H \r\n< HETATM 1285 H3 LG1 a 1 -15.634 3.134 -3.121 1.00 0.00 H \r\n< HETATM 1286 H4 LG1 a 1 -13.249 1.383 -5.030 1.00 0.00 H \r\n< HETATM 1287 H5 LG1 a 1 -14.643 2.110 -6.839 1.00 0.00 H \r\n< HETATM 1288 H6 LG1 a 1 -16.206 3.579 -7.662 1.00 0.00 H \r\n< HETATM 1289 H7 LG1 a 1 -17.152 4.631 -3.951 1.00 0.00 H \r\n< HETATM 1290 H8 LG1 a 1 -15.775 0.973 -2.634 1.00 0.00 H \r\n< HETATM 1291 H9 LG1 a 1 -15.113 -0.329 -2.063 1.00 0.00 H \r\n< HETATM 1292 H10 LG1 a 1 -14.653 1.077 -1.542 1.00 0.00 H \r\n< HETATM 1293 H11 LG1 a 1 -17.417 4.893 -6.211 1.00 0.00 H \r\n< HETATM 1294 H12 LG1 a 1 -12.208 -0.159 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1296 S1 LG1 b 1 -13.178 3.642 -0.967 1.00 0.00 S \r\n< HETATM 1297 S2 LG1 b 1 -11.996 1.428 0.605 1.00 0.00 S \r\n< HETATM 1298 N1 LG1 b 1 -11.105 2.360 -1.735 1.00 0.00 N \r\n< HETATM 1299 O1 LG1 b 1 -8.079 1.095 -0.467 1.00 0.00 O \r\n< HETATM 1300 C1 LG1 b 1 -12.441 4.143 -2.476 1.00 0.00 C \r\n< HETATM 1301 O2 LG1 b 1 -10.483 3.421 -3.657 1.00 0.00 O \r\n< HETATM 1302 C2 LG1 b 1 -12.001 2.400 -0.698 1.00 0.00 C \r\n< HETATM 1303 C3 LG1 b 1 -9.983 1.448 -1.746 1.00 0.00 C \r\n< HETATM 1304 C4 LG1 b 1 -15.738 8.569 -4.040 1.00 0.00 C \r\n< HETATM 1305 C5 LG1 b 1 -13.977 6.807 -4.456 1.00 0.00 C \r\n< HETATM 1306 C6 LG1 b 1 -11.254 3.320 -2.732 1.00 0.00 C \r\n< HETATM 1307 C7 LG1 b 1 -14.972 7.784 -4.890 1.00 0.00 C \r\n< HETATM 1308 C8 LG1 b 1 -13.913 5.994 -3.386 1.00 0.00 C \r\n< HETATM 1309 C9 LG1 b 1 -8.815 2.017 -1.003 1.00 0.00 C \r\n< HETATM 1310 C10 LG1 b 1 -15.157 7.958 -6.245 1.00 0.00 C \r\n< HETATM 1311 C11 LG1 b 1 -16.079 8.849 -6.745 1.00 0.00 C \r\n< HETATM 1312 O3 LG1 b 1 -8.603 3.208 -0.936 1.00 0.00 O \r\n< HETATM 1313 C12 LG1 b 1 -16.644 9.467 -4.538 1.00 0.00 C \r\n< HETATM 1314 C13 LG1 b 1 -14.957 5.935 -2.309 1.00 0.00 C \r\n< HETATM 1315 C14 LG1 b 1 -16.810 9.619 -5.883 1.00 0.00 C \r\n< HETATM 1316 C15 LG1 b 1 -12.797 5.094 -3.344 1.00 0.00 C \r\n< HETATM 1317 H13 LG1 b 1 -7.458 1.427 -0.035 1.00 0.00 H \r\n< HETATM 1318 H1 LG1 b 1 -10.247 0.609 -1.337 1.00 0.00 H \r\n< HETATM 1319 H2 LG1 b 1 -9.725 1.267 -2.663 1.00 0.00 H \r\n< HETATM 1320 H3 LG1 b 1 -15.634 8.483 -3.121 1.00 0.00 H \r\n< HETATM 1321 H4 LG1 b 1 -13.249 6.732 -5.030 1.00 0.00 H \r\n< HETATM 1322 H5 LG1 b 1 -14.643 7.460 -6.839 1.00 0.00 H \r\n< HETATM 1323 H6 LG1 b 1 -16.206 8.928 -7.662 1.00 0.00 H \r\n< HETATM 1324 H7 LG1 b 1 -17.152 9.980 -3.951 1.00 0.00 H \r\n< HETATM 1325 H8 LG1 b 1 -15.775 6.323 -2.634 1.00 0.00 H \r\n< HETATM 1326 H9 LG1 b 1 -15.113 5.020 -2.063 1.00 0.00 H \r\n< HETATM 1327 H10 LG1 b 1 -14.653 6.426 -1.542 1.00 0.00 H \r\n< HETATM 1328 H11 LG1 b 1 -17.417 10.242 -6.211 1.00 0.00 H \r\n< HETATM 1329 H12 LG1 b 1 -12.208 5.190 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1331 S1 LG1 c 1 -13.178 8.991 -0.967 1.00 0.00 S \r\n< HETATM 1332 S2 LG1 c 1 -11.996 6.778 0.605 1.00 0.00 S \r\n< HETATM 1333 N1 LG1 c 1 -11.105 7.709 -1.735 1.00 0.00 N \r\n< HETATM 1334 O1 LG1 c 1 -8.079 6.444 -0.467 1.00 0.00 O \r\n< HETATM 1335 C1 LG1 c 1 -12.441 9.492 -2.476 1.00 0.00 C \r\n< HETATM 1336 O2 LG1 c 1 -10.483 8.771 -3.657 1.00 0.00 O \r\n< HETATM 1337 C2 LG1 c 1 -12.001 7.750 -0.698 1.00 0.00 C \r\n< HETATM 1338 C3 LG1 c 1 -9.983 6.797 -1.746 1.00 0.00 C \r\n< HETATM 1339 C4 LG1 c 1 -15.738 13.918 -4.040 1.00 0.00 C \r\n< HETATM 1340 C5 LG1 c 1 -13.977 12.157 -4.456 1.00 0.00 C \r\n< HETATM 1341 C6 LG1 c 1 -11.254 8.670 -2.732 1.00 0.00 C \r\n< HETATM 1342 C7 LG1 c 1 -14.972 13.134 -4.890 1.00 0.00 C \r\n< HETATM 1343 C8 LG1 c 1 -13.913 11.343 -3.386 1.00 0.00 C \r\n< HETATM 1344 C9 LG1 c 1 -8.815 7.367 -1.003 1.00 0.00 C \r\n< HETATM 1345 C10 LG1 c 1 -15.157 13.308 -6.245 1.00 0.00 C \r\n< HETATM 1346 C11 LG1 c 1 -16.079 14.198 -6.745 1.00 0.00 C \r\n< HETATM 1347 O3 LG1 c 1 -8.603 8.557 -0.936 1.00 0.00 O \r\n< HETATM 1348 C12 LG1 c 1 -16.644 14.817 -4.538 1.00 0.00 C \r\n< HETATM 1349 C13 LG1 c 1 -14.957 11.284 -2.309 1.00 0.00 C \r\n< HETATM 1350 C14 LG1 c 1 -16.810 14.968 -5.883 1.00 0.00 C \r\n< HETATM 1351 C15 LG1 c 1 -12.797 10.443 -3.344 1.00 0.00 C \r\n< HETATM 1352 H13 LG1 c 1 -7.458 6.776 -0.035 1.00 0.00 H \r\n< HETATM 1353 H1 LG1 c 1 -10.247 5.959 -1.337 1.00 0.00 H \r\n< HETATM 1354 H2 LG1 c 1 -9.725 6.616 -2.663 1.00 0.00 H \r\n< HETATM 1355 H3 LG1 c 1 -15.634 13.832 -3.121 1.00 0.00 H \r\n< HETATM 1356 H4 LG1 c 1 -13.249 12.082 -5.030 1.00 0.00 H \r\n< HETATM 1357 H5 LG1 c 1 -14.643 12.809 -6.839 1.00 0.00 H \r\n< HETATM 1358 H6 LG1 c 1 -16.206 14.277 -7.662 1.00 0.00 H \r\n< HETATM 1359 H7 LG1 c 1 -17.152 15.329 -3.951 1.00 0.00 H \r\n< HETATM 1360 H8 LG1 c 1 -15.775 11.672 -2.634 1.00 0.00 H \r\n< HETATM 1361 H9 LG1 c 1 -15.113 10.370 -2.063 1.00 0.00 H \r\n< HETATM 1362 H10 LG1 c 1 -14.653 11.776 -1.542 1.00 0.00 H \r\n< HETATM 1363 H11 LG1 c 1 -17.417 15.592 -6.211 1.00 0.00 H \r\n< HETATM 1364 H12 LG1 c 1 -12.208 10.540 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1366 S1 LG1 d 1 3.643 -12.407 -18.519 1.00 0.00 S \r\n< HETATM 1367 S2 LG1 d 1 4.825 -14.620 -16.946 1.00 0.00 S \r\n< HETATM 1368 N1 LG1 d 1 5.716 -13.688 -19.287 1.00 0.00 N \r\n< HETATM 1369 O1 LG1 d 1 8.742 -14.954 -18.018 1.00 0.00 O \r\n< HETATM 1370 C1 LG1 d 1 4.380 -11.905 -20.028 1.00 0.00 C \r\n< HETATM 1371 O2 LG1 d 1 6.338 -12.627 -21.209 1.00 0.00 O \r\n< HETATM 1372 C2 LG1 d 1 4.820 -13.648 -18.249 1.00 0.00 C \r\n< HETATM 1373 C3 LG1 d 1 6.838 -14.600 -19.297 1.00 0.00 C \r\n< HETATM 1374 C4 LG1 d 1 1.083 -7.479 -21.592 1.00 0.00 C \r\n< HETATM 1375 C5 LG1 d 1 2.844 -9.241 -22.008 1.00 0.00 C \r\n< HETATM 1376 C6 LG1 d 1 5.567 -12.728 -20.283 1.00 0.00 C \r\n< HETATM 1377 C7 LG1 d 1 1.850 -8.264 -22.442 1.00 0.00 C \r\n< HETATM 1378 C8 LG1 d 1 2.908 -10.054 -20.938 1.00 0.00 C \r\n< HETATM 1379 C9 LG1 d 1 8.006 -14.031 -18.555 1.00 0.00 C \r\n< HETATM 1380 C10 LG1 d 1 1.664 -8.090 -23.796 1.00 0.00 C \r\n< HETATM 1381 C11 LG1 d 1 0.742 -7.199 -24.296 1.00 0.00 C \r\n< HETATM 1382 O3 LG1 d 1 8.218 -12.840 -18.487 1.00 0.00 O \r\n< HETATM 1383 C12 LG1 d 1 0.177 -6.581 -22.090 1.00 0.00 C \r\n< HETATM 1384 C13 LG1 d 1 1.864 -10.113 -19.860 1.00 0.00 C \r\n< HETATM 1385 C14 LG1 d 1 0.011 -6.429 -23.434 1.00 0.00 C \r\n< HETATM 1386 C15 LG1 d 1 4.024 -10.955 -20.895 1.00 0.00 C \r\n< HETATM 1387 H13 LG1 d 1 9.363 -14.621 -17.586 1.00 0.00 H \r\n< HETATM 1388 H1 LG1 d 1 6.574 -15.439 -18.888 1.00 0.00 H \r\n< HETATM 1389 H2 LG1 d 1 7.096 -14.781 -20.214 1.00 0.00 H \r\n< HETATM 1390 H3 LG1 d 1 1.187 -7.565 -20.672 1.00 0.00 H \r\n< HETATM 1391 H4 LG1 d 1 3.572 -9.316 -22.581 1.00 0.00 H \r\n< HETATM 1392 H5 LG1 d 1 2.178 -8.589 -24.390 1.00 0.00 H \r\n< HETATM 1393 H6 LG1 d 1 0.615 -7.120 -25.213 1.00 0.00 H \r\n< HETATM 1394 H7 LG1 d 1 -0.331 -6.068 -21.503 1.00 0.00 H \r\n< HETATM 1395 H8 LG1 d 1 1.046 -9.725 -20.185 1.00 0.00 H \r\n< HETATM 1396 H9 LG1 d 1 1.708 -11.028 -19.614 1.00 0.00 H \r\n< HETATM 1397 H10 LG1 d 1 2.168 -9.622 -19.093 1.00 0.00 H \r\n< HETATM 1398 H11 LG1 d 1 -0.596 -5.806 -23.762 1.00 0.00 H \r\n< HETATM 1399 H12 LG1 d 1 4.613 -10.858 -21.610 1.00 0.00 H \r\n< TER \r\n< HETATM 1401 S1 LG1 e 1 1.473 -12.407 -0.967 1.00 0.00 S \r\n< HETATM 1402 S2 LG1 e 1 2.654 -14.620 0.605 1.00 0.00 S \r\n< HETATM 1403 N1 LG1 e 1 3.546 -13.688 -1.735 1.00 0.00 N \r\n< HETATM 1404 O1 LG1 e 1 6.572 -14.954 -0.467 1.00 0.00 O \r\n< HETATM 1405 C1 LG1 e 1 2.210 -11.905 -2.476 1.00 0.00 C \r\n< HETATM 1406 O2 LG1 e 1 4.167 -12.627 -3.657 1.00 0.00 O \r\n< HETATM 1407 C2 LG1 e 1 2.650 -13.648 -0.698 1.00 0.00 C \r\n< HETATM 1408 C3 LG1 e 1 4.668 -14.600 -1.746 1.00 0.00 C \r\n< HETATM 1409 C4 LG1 e 1 -1.087 -7.479 -4.040 1.00 0.00 C \r\n< HETATM 1410 C5 LG1 e 1 0.673 -9.241 -4.456 1.00 0.00 C \r\n< HETATM 1411 C6 LG1 e 1 3.397 -12.728 -2.732 1.00 0.00 C \r\n< HETATM 1412 C7 LG1 e 1 -0.321 -8.264 -4.890 1.00 0.00 C \r\n< HETATM 1413 C8 LG1 e 1 0.738 -10.054 -3.386 1.00 0.00 C \r\n< HETATM 1414 C9 LG1 e 1 5.836 -14.031 -1.003 1.00 0.00 C \r\n< HETATM 1415 C10 LG1 e 1 -0.506 -8.090 -6.245 1.00 0.00 C \r\n< HETATM 1416 C11 LG1 e 1 -1.428 -7.199 -6.745 1.00 0.00 C \r\n< HETATM 1417 O3 LG1 e 1 6.048 -12.840 -0.936 1.00 0.00 O \r\n< HETATM 1418 C12 LG1 e 1 -1.993 -6.581 -4.538 1.00 0.00 C \r\n< HETATM 1419 C13 LG1 e 1 -0.307 -10.113 -2.309 1.00 0.00 C \r\n< HETATM 1420 C14 LG1 e 1 -2.159 -6.429 -5.883 1.00 0.00 C \r\n< HETATM 1421 C15 LG1 e 1 1.854 -10.955 -3.344 1.00 0.00 C \r\n< HETATM 1422 H13 LG1 e 1 7.193 -14.621 -0.035 1.00 0.00 H \r\n< HETATM 1423 H1 LG1 e 1 4.404 -15.439 -1.337 1.00 0.00 H \r\n< HETATM 1424 H2 LG1 e 1 4.926 -14.781 -2.663 1.00 0.00 H \r\n< HETATM 1425 H3 LG1 e 1 -0.983 -7.565 -3.121 1.00 0.00 H \r\n< HETATM 1426 H4 LG1 e 1 1.402 -9.316 -5.030 1.00 0.00 H \r\n< HETATM 1427 H5 LG1 e 1 0.008 -8.589 -6.839 1.00 0.00 H \r\n< HETATM 1428 H6 LG1 e 1 -1.555 -7.120 -7.662 1.00 0.00 H \r\n< HETATM 1429 H7 LG1 e 1 -2.501 -6.068 -3.951 1.00 0.00 H \r\n< HETATM 1430 H8 LG1 e 1 -1.124 -9.725 -2.634 1.00 0.00 H \r\n< HETATM 1431 H9 LG1 e 1 -0.462 -11.028 -2.063 1.00 0.00 H \r\n< HETATM 1432 H10 LG1 e 1 -0.002 -9.622 -1.542 1.00 0.00 H \r\n< HETATM 1433 H11 LG1 e 1 -2.766 -5.806 -6.211 1.00 0.00 H \r\n< HETATM 1434 H12 LG1 e 1 2.443 -10.858 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1436 S1 LG1 f 1 3.643 -7.057 -18.519 1.00 0.00 S \r\n< HETATM 1437 S2 LG1 f 1 4.825 -9.271 -16.946 1.00 0.00 S \r\n< HETATM 1438 N1 LG1 f 1 5.716 -8.339 -19.287 1.00 0.00 N \r\n< HETATM 1439 O1 LG1 f 1 8.742 -9.604 -18.018 1.00 0.00 O \r\n< HETATM 1440 C1 LG1 f 1 4.380 -6.556 -20.028 1.00 0.00 C \r\n< HETATM 1441 O2 LG1 f 1 6.338 -7.277 -21.209 1.00 0.00 O \r\n< HETATM 1442 C2 LG1 f 1 4.820 -8.299 -18.249 1.00 0.00 C \r\n< HETATM 1443 C3 LG1 f 1 6.838 -9.251 -19.297 1.00 0.00 C \r\n< HETATM 1444 C4 LG1 f 1 1.083 -2.130 -21.592 1.00 0.00 C \r\n< HETATM 1445 C5 LG1 f 1 2.844 -3.892 -22.008 1.00 0.00 C \r\n< HETATM 1446 C6 LG1 f 1 5.567 -7.379 -20.283 1.00 0.00 C \r\n< HETATM 1447 C7 LG1 f 1 1.850 -2.915 -22.442 1.00 0.00 C \r\n< HETATM 1448 C8 LG1 f 1 2.908 -4.705 -20.938 1.00 0.00 C \r\n< HETATM 1449 C9 LG1 f 1 8.006 -8.682 -18.555 1.00 0.00 C \r\n< HETATM 1450 C10 LG1 f 1 1.664 -2.740 -23.796 1.00 0.00 C \r\n< HETATM 1451 C11 LG1 f 1 0.742 -1.850 -24.296 1.00 0.00 C \r\n< HETATM 1452 O3 LG1 f 1 8.218 -7.491 -18.487 1.00 0.00 O \r\n< HETATM 1453 C12 LG1 f 1 0.177 -1.231 -22.090 1.00 0.00 C \r\n< HETATM 1454 C13 LG1 f 1 1.864 -4.764 -19.860 1.00 0.00 C \r\n< HETATM 1455 C14 LG1 f 1 0.011 -1.080 -23.434 1.00 0.00 C \r\n< HETATM 1456 C15 LG1 f 1 4.024 -5.605 -20.895 1.00 0.00 C \r\n< HETATM 1457 H13 LG1 f 1 9.363 -9.272 -17.586 1.00 0.00 H \r\n< HETATM 1458 H1 LG1 f 1 6.574 -10.089 -18.888 1.00 0.00 H \r\n< HETATM 1459 H2 LG1 f 1 7.096 -9.432 -20.214 1.00 0.00 H \r\n< HETATM 1460 H3 LG1 f 1 1.187 -2.216 -20.672 1.00 0.00 H \r\n< HETATM 1461 H4 LG1 f 1 3.572 -3.967 -22.581 1.00 0.00 H \r\n< HETATM 1462 H5 LG1 f 1 2.178 -3.239 -24.390 1.00 0.00 H \r\n< HETATM 1463 H6 LG1 f 1 0.615 -1.771 -25.213 1.00 0.00 H \r\n< HETATM 1464 H7 LG1 f 1 -0.331 -0.719 -21.503 1.00 0.00 H \r\n< HETATM 1465 H8 LG1 f 1 1.046 -4.376 -20.185 1.00 0.00 H \r\n< HETATM 1466 H9 LG1 f 1 1.708 -5.678 -19.614 1.00 0.00 H \r\n< HETATM 1467 H10 LG1 f 1 2.168 -4.272 -19.093 1.00 0.00 H \r\n< HETATM 1468 H11 LG1 f 1 -0.596 -0.456 -23.762 1.00 0.00 H \r\n< HETATM 1469 H12 LG1 f 1 4.613 -5.508 -21.610 1.00 0.00 H \r\n< TER \r\n< HETATM 1471 S1 LG1 g 1 1.473 -7.057 -0.967 1.00 0.00 S \r\n< HETATM 1472 S2 LG1 g 1 2.654 -9.271 0.605 1.00 0.00 S \r\n< HETATM 1473 N1 LG1 g 1 3.546 -8.339 -1.735 1.00 0.00 N \r\n< HETATM 1474 O1 LG1 g 1 6.572 -9.604 -0.467 1.00 0.00 O \r\n< HETATM 1475 C1 LG1 g 1 2.210 -6.556 -2.476 1.00 0.00 C \r\n< HETATM 1476 O2 LG1 g 1 4.167 -7.277 -3.657 1.00 0.00 O \r\n< HETATM 1477 C2 LG1 g 1 2.650 -8.299 -0.698 1.00 0.00 C \r\n< HETATM 1478 C3 LG1 g 1 4.668 -9.251 -1.746 1.00 0.00 C \r\n< HETATM 1479 C4 LG1 g 1 -1.087 -2.130 -4.040 1.00 0.00 C \r\n< HETATM 1480 C5 LG1 g 1 0.673 -3.892 -4.456 1.00 0.00 C \r\n< HETATM 1481 C6 LG1 g 1 3.397 -7.379 -2.732 1.00 0.00 C \r\n< HETATM 1482 C7 LG1 g 1 -0.321 -2.915 -4.890 1.00 0.00 C \r\n< HETATM 1483 C8 LG1 g 1 0.738 -4.705 -3.386 1.00 0.00 C \r\n< HETATM 1484 C9 LG1 g 1 5.836 -8.682 -1.003 1.00 0.00 C \r\n< HETATM 1485 C10 LG1 g 1 -0.506 -2.740 -6.245 1.00 0.00 C \r\n< HETATM 1486 C11 LG1 g 1 -1.428 -1.850 -6.745 1.00 0.00 C \r\n< HETATM 1487 O3 LG1 g 1 6.048 -7.491 -0.936 1.00 0.00 O \r\n< HETATM 1488 C12 LG1 g 1 -1.993 -1.231 -4.538 1.00 0.00 C \r\n< HETATM 1489 C13 LG1 g 1 -0.307 -4.764 -2.309 1.00 0.00 C \r\n< HETATM 1490 C14 LG1 g 1 -2.159 -1.080 -5.883 1.00 0.00 C \r\n< HETATM 1491 C15 LG1 g 1 1.854 -5.605 -3.344 1.00 0.00 C \r\n< HETATM 1492 H13 LG1 g 1 7.193 -9.272 -0.035 1.00 0.00 H \r\n< HETATM 1493 H1 LG1 g 1 4.404 -10.089 -1.337 1.00 0.00 H \r\n< HETATM 1494 H2 LG1 g 1 4.926 -9.432 -2.663 1.00 0.00 H \r\n< HETATM 1495 H3 LG1 g 1 -0.983 -2.216 -3.121 1.00 0.00 H \r\n< HETATM 1496 H4 LG1 g 1 1.402 -3.967 -5.030 1.00 0.00 H \r\n< HETATM 1497 H5 LG1 g 1 0.008 -3.239 -6.839 1.00 0.00 H \r\n< HETATM 1498 H6 LG1 g 1 -1.555 -1.771 -7.662 1.00 0.00 H \r\n< HETATM 1499 H7 LG1 g 1 -2.501 -0.719 -3.951 1.00 0.00 H \r\n< HETATM 1500 H8 LG1 g 1 -1.124 -4.376 -2.634 1.00 0.00 H \r\n< HETATM 1501 H9 LG1 g 1 -0.462 -5.678 -2.063 1.00 0.00 H \r\n< HETATM 1502 H10 LG1 g 1 -0.002 -4.272 -1.542 1.00 0.00 H \r\n< HETATM 1503 H11 LG1 g 1 -2.766 -0.456 -6.211 1.00 0.00 H \r\n< HETATM 1504 H12 LG1 g 1 2.443 -5.508 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1506 S1 LG1 h 1 3.643 -1.708 -18.519 1.00 0.00 S \r\n< HETATM 1507 S2 LG1 h 1 4.825 -3.921 -16.946 1.00 0.00 S \r\n< HETATM 1508 N1 LG1 h 1 5.716 -2.989 -19.287 1.00 0.00 N \r\n< HETATM 1509 O1 LG1 h 1 8.742 -4.255 -18.018 1.00 0.00 O \r\n< HETATM 1510 C1 LG1 h 1 4.380 -1.207 -20.028 1.00 0.00 C \r\n< HETATM 1511 O2 LG1 h 1 6.338 -1.928 -21.209 1.00 0.00 O \r\n< HETATM 1512 C2 LG1 h 1 4.820 -2.949 -18.249 1.00 0.00 C \r\n< HETATM 1513 C3 LG1 h 1 6.838 -3.901 -19.297 1.00 0.00 C \r\n< HETATM 1514 C4 LG1 h 1 1.083 3.219 -21.592 1.00 0.00 C \r\n< HETATM 1515 C5 LG1 h 1 2.844 1.458 -22.008 1.00 0.00 C \r\n< HETATM 1516 C6 LG1 h 1 5.567 -2.029 -20.283 1.00 0.00 C \r\n< HETATM 1517 C7 LG1 h 1 1.850 2.435 -22.442 1.00 0.00 C \r\n< HETATM 1518 C8 LG1 h 1 2.908 0.645 -20.938 1.00 0.00 C \r\n< HETATM 1519 C9 LG1 h 1 8.006 -3.332 -18.555 1.00 0.00 C \r\n< HETATM 1520 C10 LG1 h 1 1.664 2.609 -23.796 1.00 0.00 C \r\n< HETATM 1521 C11 LG1 h 1 0.742 3.500 -24.296 1.00 0.00 C \r\n< HETATM 1522 O3 LG1 h 1 8.218 -2.142 -18.487 1.00 0.00 O \r\n< HETATM 1523 C12 LG1 h 1 0.177 4.118 -22.090 1.00 0.00 C \r\n< HETATM 1524 C13 LG1 h 1 1.864 0.586 -19.860 1.00 0.00 C \r\n< HETATM 1525 C14 LG1 h 1 0.011 4.270 -23.434 1.00 0.00 C \r\n< HETATM 1526 C15 LG1 h 1 4.024 -0.256 -20.895 1.00 0.00 C \r\n< HETATM 1527 H13 LG1 h 1 9.363 -3.923 -17.586 1.00 0.00 H \r\n< HETATM 1528 H1 LG1 h 1 6.574 -4.740 -18.888 1.00 0.00 H \r\n< HETATM 1529 H2 LG1 h 1 7.096 -4.082 -20.214 1.00 0.00 H \r\n< HETATM 1530 H3 LG1 h 1 1.187 3.134 -20.672 1.00 0.00 H \r\n< HETATM 1531 H4 LG1 h 1 3.572 1.383 -22.581 1.00 0.00 H \r\n< HETATM 1532 H5 LG1 h 1 2.178 2.110 -24.390 1.00 0.00 H \r\n< HETATM 1533 H6 LG1 h 1 0.615 3.579 -25.213 1.00 0.00 H \r\n< HETATM 1534 H7 LG1 h 1 -0.331 4.631 -21.503 1.00 0.00 H \r\n< HETATM 1535 H8 LG1 h 1 1.046 0.973 -20.185 1.00 0.00 H \r\n< HETATM 1536 H9 LG1 h 1 1.708 -0.329 -19.614 1.00 0.00 H \r\n< HETATM 1537 H10 LG1 h 1 2.168 1.077 -19.093 1.00 0.00 H \r\n< HETATM 1538 H11 LG1 h 1 -0.596 4.893 -23.762 1.00 0.00 H \r\n< HETATM 1539 H12 LG1 h 1 4.613 -0.159 -21.610 1.00 0.00 H \r\n< TER \r\n< HETATM 1541 S1 LG1 i 1 1.473 -1.708 -0.967 1.00 0.00 S \r\n< HETATM 1542 S2 LG1 i 1 2.654 -3.921 0.605 1.00 0.00 S \r\n< HETATM 1543 N1 LG1 i 1 3.546 -2.989 -1.735 1.00 0.00 N \r\n< HETATM 1544 O1 LG1 i 1 6.572 -4.255 -0.467 1.00 0.00 O \r\n< HETATM 1545 C1 LG1 i 1 2.210 -1.207 -2.476 1.00 0.00 C \r\n< HETATM 1546 O2 LG1 i 1 4.167 -1.928 -3.657 1.00 0.00 O \r\n< HETATM 1547 C2 LG1 i 1 2.650 -2.949 -0.698 1.00 0.00 C \r\n< HETATM 1548 C3 LG1 i 1 4.668 -3.901 -1.746 1.00 0.00 C \r\n< HETATM 1549 C4 LG1 i 1 -1.087 3.219 -4.040 1.00 0.00 C \r\n< HETATM 1550 C5 LG1 i 1 0.673 1.458 -4.456 1.00 0.00 C \r\n< HETATM 1551 C6 LG1 i 1 3.397 -2.029 -2.732 1.00 0.00 C \r\n< HETATM 1552 C7 LG1 i 1 -0.321 2.435 -4.890 1.00 0.00 C \r\n< HETATM 1553 C8 LG1 i 1 0.738 0.645 -3.386 1.00 0.00 C \r\n< HETATM 1554 C9 LG1 i 1 5.836 -3.332 -1.003 1.00 0.00 C \r\n< HETATM 1555 C10 LG1 i 1 -0.506 2.609 -6.245 1.00 0.00 C \r\n< HETATM 1556 C11 LG1 i 1 -1.428 3.500 -6.745 1.00 0.00 C \r\n< HETATM 1557 O3 LG1 i 1 6.048 -2.142 -0.936 1.00 0.00 O \r\n< HETATM 1558 C12 LG1 i 1 -1.993 4.118 -4.538 1.00 0.00 C \r\n< HETATM 1559 C13 LG1 i 1 -0.307 0.586 -2.309 1.00 0.00 C \r\n< HETATM 1560 C14 LG1 i 1 -2.159 4.270 -5.883 1.00 0.00 C \r\n< HETATM 1561 C15 LG1 i 1 1.854 -0.256 -3.344 1.00 0.00 C \r\n< HETATM 1562 H13 LG1 i 1 7.193 -3.923 -0.035 1.00 0.00 H \r\n< HETATM 1563 H1 LG1 i 1 4.404 -4.740 -1.337 1.00 0.00 H \r\n< HETATM 1564 H2 LG1 i 1 4.926 -4.082 -2.663 1.00 0.00 H \r\n< HETATM 1565 H3 LG1 i 1 -0.983 3.134 -3.121 1.00 0.00 H \r\n< HETATM 1566 H4 LG1 i 1 1.402 1.383 -5.030 1.00 0.00 H \r\n< HETATM 1567 H5 LG1 i 1 0.008 2.110 -6.839 1.00 0.00 H \r\n< HETATM 1568 H6 LG1 i 1 -1.555 3.579 -7.662 1.00 0.00 H \r\n< HETATM 1569 H7 LG1 i 1 -2.501 4.631 -3.951 1.00 0.00 H \r\n< HETATM 1570 H8 LG1 i 1 -1.124 0.973 -2.634 1.00 0.00 H \r\n< HETATM 1571 H9 LG1 i 1 -0.462 -0.329 -2.063 1.00 0.00 H \r\n< HETATM 1572 H10 LG1 i 1 -0.002 1.077 -1.542 1.00 0.00 H \r\n< HETATM 1573 H11 LG1 i 1 -2.766 4.893 -6.211 1.00 0.00 H \r\n< HETATM 1574 H12 LG1 i 1 2.443 -0.159 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1576 S1 LG1 j 1 3.643 3.642 -18.519 1.00 0.00 S \r\n< HETATM 1577 S2 LG1 j 1 4.825 1.428 -16.946 1.00 0.00 S \r\n< HETATM 1578 N1 LG1 j 1 5.716 2.360 -19.287 1.00 0.00 N \r\n< HETATM 1579 O1 LG1 j 1 8.742 1.095 -18.018 1.00 0.00 O \r\n< HETATM 1580 C1 LG1 j 1 4.380 4.143 -20.028 1.00 0.00 C \r\n< HETATM 1581 O2 LG1 j 1 6.338 3.421 -21.209 1.00 0.00 O \r\n< HETATM 1582 C2 LG1 j 1 4.820 2.400 -18.249 1.00 0.00 C \r\n< HETATM 1583 C3 LG1 j 1 6.838 1.448 -19.297 1.00 0.00 C \r\n< HETATM 1584 C4 LG1 j 1 1.083 8.569 -21.592 1.00 0.00 C \r\n< HETATM 1585 C5 LG1 j 1 2.844 6.807 -22.008 1.00 0.00 C \r\n< HETATM 1586 C6 LG1 j 1 5.567 3.320 -20.283 1.00 0.00 C \r\n< HETATM 1587 C7 LG1 j 1 1.850 7.784 -22.442 1.00 0.00 C \r\n< HETATM 1588 C8 LG1 j 1 2.908 5.994 -20.938 1.00 0.00 C \r\n< HETATM 1589 C9 LG1 j 1 8.006 2.017 -18.555 1.00 0.00 C \r\n< HETATM 1590 C10 LG1 j 1 1.664 7.958 -23.796 1.00 0.00 C \r\n< HETATM 1591 C11 LG1 j 1 0.742 8.849 -24.296 1.00 0.00 C \r\n< HETATM 1592 O3 LG1 j 1 8.218 3.208 -18.487 1.00 0.00 O \r\n< HETATM 1593 C12 LG1 j 1 0.177 9.467 -22.090 1.00 0.00 C \r\n< HETATM 1594 C13 LG1 j 1 1.864 5.935 -19.860 1.00 0.00 C \r\n< HETATM 1595 C14 LG1 j 1 0.011 9.619 -23.434 1.00 0.00 C \r\n< HETATM 1596 C15 LG1 j 1 4.024 5.094 -20.895 1.00 0.00 C \r\n< HETATM 1597 H13 LG1 j 1 9.363 1.427 -17.586 1.00 0.00 H \r\n< HETATM 1598 H1 LG1 j 1 6.574 0.609 -18.888 1.00 0.00 H \r\n< HETATM 1599 H2 LG1 j 1 7.096 1.267 -20.214 1.00 0.00 H \r\n< HETATM 1600 H3 LG1 j 1 1.187 8.483 -20.672 1.00 0.00 H \r\n< HETATM 1601 H4 LG1 j 1 3.572 6.732 -22.581 1.00 0.00 H \r\n< HETATM 1602 H5 LG1 j 1 2.178 7.460 -24.390 1.00 0.00 H \r\n< HETATM 1603 H6 LG1 j 1 0.615 8.928 -25.213 1.00 0.00 H \r\n< HETATM 1604 H7 LG1 j 1 -0.331 9.980 -21.503 1.00 0.00 H \r\n< HETATM 1605 H8 LG1 j 1 1.046 6.323 -20.185 1.00 0.00 H \r\n< HETATM 1606 H9 LG1 j 1 1.708 5.020 -19.614 1.00 0.00 H \r\n< HETATM 1607 H10 LG1 j 1 2.168 6.426 -19.093 1.00 0.00 H \r\n< HETATM 1608 H11 LG1 j 1 -0.596 10.242 -23.762 1.00 0.00 H \r\n< HETATM 1609 H12 LG1 j 1 4.613 5.190 -21.610 1.00 0.00 H \r\n< TER \r\n< HETATM 1611 S1 LG1 k 1 1.473 3.642 -0.967 1.00 0.00 S \r\n< HETATM 1612 S2 LG1 k 1 2.654 1.428 0.605 1.00 0.00 S \r\n< HETATM 1613 N1 LG1 k 1 3.546 2.360 -1.735 1.00 0.00 N \r\n< HETATM 1614 O1 LG1 k 1 6.572 1.095 -0.467 1.00 0.00 O \r\n< HETATM 1615 C1 LG1 k 1 2.210 4.143 -2.476 1.00 0.00 C \r\n< HETATM 1616 O2 LG1 k 1 4.167 3.421 -3.657 1.00 0.00 O \r\n< HETATM 1617 C2 LG1 k 1 2.650 2.400 -0.698 1.00 0.00 C \r\n< HETATM 1618 C3 LG1 k 1 4.668 1.448 -1.746 1.00 0.00 C \r\n< HETATM 1619 C4 LG1 k 1 -1.087 8.569 -4.040 1.00 0.00 C \r\n< HETATM 1620 C5 LG1 k 1 0.673 6.807 -4.456 1.00 0.00 C \r\n< HETATM 1621 C6 LG1 k 1 3.397 3.320 -2.732 1.00 0.00 C \r\n< HETATM 1622 C7 LG1 k 1 -0.321 7.784 -4.890 1.00 0.00 C \r\n< HETATM 1623 C8 LG1 k 1 0.738 5.994 -3.386 1.00 0.00 C \r\n< HETATM 1624 C9 LG1 k 1 5.836 2.017 -1.003 1.00 0.00 C \r\n< HETATM 1625 C10 LG1 k 1 -0.506 7.958 -6.245 1.00 0.00 C \r\n< HETATM 1626 C11 LG1 k 1 -1.428 8.849 -6.745 1.00 0.00 C \r\n< HETATM 1627 O3 LG1 k 1 6.048 3.208 -0.936 1.00 0.00 O \r\n< HETATM 1628 C12 LG1 k 1 -1.993 9.467 -4.538 1.00 0.00 C \r\n< HETATM 1629 C13 LG1 k 1 -0.307 5.935 -2.309 1.00 0.00 C \r\n< HETATM 1630 C14 LG1 k 1 -2.159 9.619 -5.883 1.00 0.00 C \r\n< HETATM 1631 C15 LG1 k 1 1.854 5.094 -3.344 1.00 0.00 C \r\n< HETATM 1632 H13 LG1 k 1 7.193 1.427 -0.035 1.00 0.00 H \r\n< HETATM 1633 H1 LG1 k 1 4.404 0.609 -1.337 1.00 0.00 H \r\n< HETATM 1634 H2 LG1 k 1 4.926 1.267 -2.663 1.00 0.00 H \r\n< HETATM 1635 H3 LG1 k 1 -0.983 8.483 -3.121 1.00 0.00 H \r\n< HETATM 1636 H4 LG1 k 1 1.402 6.732 -5.030 1.00 0.00 H \r\n< HETATM 1637 H5 LG1 k 1 0.008 7.460 -6.839 1.00 0.00 H \r\n< HETATM 1638 H6 LG1 k 1 -1.555 8.928 -7.662 1.00 0.00 H \r\n< HETATM 1639 H7 LG1 k 1 -2.501 9.980 -3.951 1.00 0.00 H \r\n< HETATM 1640 H8 LG1 k 1 -1.124 6.323 -2.634 1.00 0.00 H \r\n< HETATM 1641 H9 LG1 k 1 -0.462 5.020 -2.063 1.00 0.00 H \r\n< HETATM 1642 H10 LG1 k 1 -0.002 6.426 -1.542 1.00 0.00 H \r\n< HETATM 1643 H11 LG1 k 1 -2.766 10.242 -6.211 1.00 0.00 H \r\n< HETATM 1644 H12 LG1 k 1 2.443 5.190 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1646 S1 LG1 l 1 1.473 8.991 -0.967 1.00 0.00 S \r\n< HETATM 1647 S2 LG1 l 1 2.654 6.778 0.605 1.00 0.00 S \r\n< HETATM 1648 N1 LG1 l 1 3.546 7.709 -1.735 1.00 0.00 N \r\n< HETATM 1649 O1 LG1 l 1 6.572 6.444 -0.467 1.00 0.00 O \r\n< HETATM 1650 C1 LG1 l 1 2.210 9.492 -2.476 1.00 0.00 C \r\n< HETATM 1651 O2 LG1 l 1 4.167 8.771 -3.657 1.00 0.00 O \r\n< HETATM 1652 C2 LG1 l 1 2.650 7.750 -0.698 1.00 0.00 C \r\n< HETATM 1653 C3 LG1 l 1 4.668 6.797 -1.746 1.00 0.00 C \r\n< HETATM 1654 C4 LG1 l 1 -1.087 13.918 -4.040 1.00 0.00 C \r\n< HETATM 1655 C5 LG1 l 1 0.673 12.157 -4.456 1.00 0.00 C \r\n< HETATM 1656 C6 LG1 l 1 3.397 8.670 -2.732 1.00 0.00 C \r\n< HETATM 1657 C7 LG1 l 1 -0.321 13.134 -4.890 1.00 0.00 C \r\n< HETATM 1658 C8 LG1 l 1 0.738 11.343 -3.386 1.00 0.00 C \r\n< HETATM 1659 C9 LG1 l 1 5.836 7.367 -1.003 1.00 0.00 C \r\n< HETATM 1660 C10 LG1 l 1 -0.506 13.308 -6.245 1.00 0.00 C \r\n< HETATM 1661 C11 LG1 l 1 -1.428 14.198 -6.745 1.00 0.00 C \r\n< HETATM 1662 O3 LG1 l 1 6.048 8.557 -0.936 1.00 0.00 O \r\n< HETATM 1663 C12 LG1 l 1 -1.993 14.817 -4.538 1.00 0.00 C \r\n< HETATM 1664 C13 LG1 l 1 -0.307 11.284 -2.309 1.00 0.00 C \r\n< HETATM 1665 C14 LG1 l 1 -2.159 14.968 -5.883 1.00 0.00 C \r\n< HETATM 1666 C15 LG1 l 1 1.854 10.443 -3.344 1.00 0.00 C \r\n< HETATM 1667 H13 LG1 l 1 7.193 6.776 -0.035 1.00 0.00 H \r\n< HETATM 1668 H1 LG1 l 1 4.404 5.959 -1.337 1.00 0.00 H \r\n< HETATM 1669 H2 LG1 l 1 4.926 6.616 -2.663 1.00 0.00 H \r\n< HETATM 1670 H3 LG1 l 1 -0.983 13.832 -3.121 1.00 0.00 H \r\n< HETATM 1671 H4 LG1 l 1 1.402 12.082 -5.030 1.00 0.00 H \r\n< HETATM 1672 H5 LG1 l 1 0.008 12.809 -6.839 1.00 0.00 H \r\n< HETATM 1673 H6 LG1 l 1 -1.555 14.277 -7.662 1.00 0.00 H \r\n< HETATM 1674 H7 LG1 l 1 -2.501 15.329 -3.951 1.00 0.00 H \r\n< HETATM 1675 H8 LG1 l 1 -1.124 11.672 -2.634 1.00 0.00 H \r\n< HETATM 1676 H9 LG1 l 1 -0.462 10.370 -2.063 1.00 0.00 H \r\n< HETATM 1677 H10 LG1 l 1 -0.002 11.776 -1.542 1.00 0.00 H \r\n< HETATM 1678 H11 LG1 l 1 -2.766 15.592 -6.211 1.00 0.00 H \r\n< HETATM 1679 H12 LG1 l 1 2.443 10.540 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1681 S1 LG1 m 1 16.124 -7.057 -0.967 1.00 0.00 S \r\n< HETATM 1682 S2 LG1 m 1 17.305 -9.271 0.605 1.00 0.00 S \r\n< HETATM 1683 N1 LG1 m 1 18.197 -8.339 -1.735 1.00 0.00 N \r\n< HETATM 1684 O1 LG1 m 1 21.223 -9.604 -0.467 1.00 0.00 O \r\n< HETATM 1685 C1 LG1 m 1 16.861 -6.556 -2.476 1.00 0.00 C \r\n< HETATM 1686 O2 LG1 m 1 18.818 -7.277 -3.657 1.00 0.00 O \r\n< HETATM 1687 C2 LG1 m 1 17.300 -8.299 -0.698 1.00 0.00 C \r\n< HETATM 1688 C3 LG1 m 1 19.319 -9.251 -1.746 1.00 0.00 C \r\n< HETATM 1689 C4 LG1 m 1 13.564 -2.130 -4.040 1.00 0.00 C \r\n< HETATM 1690 C5 LG1 m 1 15.324 -3.892 -4.456 1.00 0.00 C \r\n< HETATM 1691 C6 LG1 m 1 18.048 -7.379 -2.732 1.00 0.00 C \r\n< HETATM 1692 C7 LG1 m 1 14.330 -2.915 -4.890 1.00 0.00 C \r\n< HETATM 1693 C8 LG1 m 1 15.389 -4.705 -3.386 1.00 0.00 C \r\n< HETATM 1694 C9 LG1 m 1 20.487 -8.682 -1.003 1.00 0.00 C \r\n< HETATM 1695 C10 LG1 m 1 14.145 -2.740 -6.245 1.00 0.00 C \r\n< HETATM 1696 C11 LG1 m 1 13.222 -1.850 -6.745 1.00 0.00 C \r\n< HETATM 1697 O3 LG1 m 1 20.699 -7.491 -0.936 1.00 0.00 O \r\n< HETATM 1698 C12 LG1 m 1 12.658 -1.231 -4.538 1.00 0.00 C \r\n< HETATM 1699 C13 LG1 m 1 14.344 -4.764 -2.309 1.00 0.00 C \r\n< HETATM 1700 C14 LG1 m 1 12.492 -1.080 -5.883 1.00 0.00 C \r\n< HETATM 1701 C15 LG1 m 1 16.505 -5.605 -3.344 1.00 0.00 C \r\n< HETATM 1702 H13 LG1 m 1 21.844 -9.272 -0.035 1.00 0.00 H \r\n< HETATM 1703 H1 LG1 m 1 19.055 -10.089 -1.337 1.00 0.00 H \r\n< HETATM 1704 H2 LG1 m 1 19.577 -9.432 -2.663 1.00 0.00 H \r\n< HETATM 1705 H3 LG1 m 1 13.668 -2.216 -3.121 1.00 0.00 H \r\n< HETATM 1706 H4 LG1 m 1 16.052 -3.967 -5.030 1.00 0.00 H \r\n< HETATM 1707 H5 LG1 m 1 14.658 -3.239 -6.839 1.00 0.00 H \r\n< HETATM 1708 H6 LG1 m 1 13.096 -1.771 -7.662 1.00 0.00 H \r\n< HETATM 1709 H7 LG1 m 1 12.150 -0.719 -3.951 1.00 0.00 H \r\n< HETATM 1710 H8 LG1 m 1 13.527 -4.376 -2.634 1.00 0.00 H \r\n< HETATM 1711 H9 LG1 m 1 14.189 -5.678 -2.063 1.00 0.00 H \r\n< HETATM 1712 H10 LG1 m 1 14.648 -4.272 -1.542 1.00 0.00 H \r\n< HETATM 1713 H11 LG1 m 1 11.885 -0.456 -6.211 1.00 0.00 H \r\n< HETATM 1714 H12 LG1 m 1 17.094 -5.508 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1716 S1 LG1 n 1 16.124 -1.708 -0.967 1.00 0.00 S \r\n< HETATM 1717 S2 LG1 n 1 17.305 -3.921 0.605 1.00 0.00 S \r\n< HETATM 1718 N1 LG1 n 1 18.197 -2.989 -1.735 1.00 0.00 N \r\n< HETATM 1719 O1 LG1 n 1 21.223 -4.255 -0.467 1.00 0.00 O \r\n< HETATM 1720 C1 LG1 n 1 16.861 -1.207 -2.476 1.00 0.00 C \r\n< HETATM 1721 O2 LG1 n 1 18.818 -1.928 -3.657 1.00 0.00 O \r\n< HETATM 1722 C2 LG1 n 1 17.300 -2.949 -0.698 1.00 0.00 C \r\n< HETATM 1723 C3 LG1 n 1 19.319 -3.901 -1.746 1.00 0.00 C \r\n< HETATM 1724 C4 LG1 n 1 13.564 3.219 -4.040 1.00 0.00 C \r\n< HETATM 1725 C5 LG1 n 1 15.324 1.458 -4.456 1.00 0.00 C \r\n< HETATM 1726 C6 LG1 n 1 18.048 -2.029 -2.732 1.00 0.00 C \r\n< HETATM 1727 C7 LG1 n 1 14.330 2.435 -4.890 1.00 0.00 C \r\n< HETATM 1728 C8 LG1 n 1 15.389 0.645 -3.386 1.00 0.00 C \r\n< HETATM 1729 C9 LG1 n 1 20.487 -3.332 -1.003 1.00 0.00 C \r\n< HETATM 1730 C10 LG1 n 1 14.145 2.609 -6.245 1.00 0.00 C \r\n< HETATM 1731 C11 LG1 n 1 13.222 3.500 -6.745 1.00 0.00 C \r\n< HETATM 1732 O3 LG1 n 1 20.699 -2.142 -0.936 1.00 0.00 O \r\n< HETATM 1733 C12 LG1 n 1 12.658 4.118 -4.538 1.00 0.00 C \r\n< HETATM 1734 C13 LG1 n 1 14.344 0.586 -2.309 1.00 0.00 C \r\n< HETATM 1735 C14 LG1 n 1 12.492 4.270 -5.883 1.00 0.00 C \r\n< HETATM 1736 C15 LG1 n 1 16.505 -0.256 -3.344 1.00 0.00 C \r\n< HETATM 1737 H13 LG1 n 1 21.844 -3.923 -0.035 1.00 0.00 H \r\n< HETATM 1738 H1 LG1 n 1 19.055 -4.740 -1.337 1.00 0.00 H \r\n< HETATM 1739 H2 LG1 n 1 19.577 -4.082 -2.663 1.00 0.00 H \r\n< HETATM 1740 H3 LG1 n 1 13.668 3.134 -3.121 1.00 0.00 H \r\n< HETATM 1741 H4 LG1 n 1 16.052 1.383 -5.030 1.00 0.00 H \r\n< HETATM 1742 H5 LG1 n 1 14.658 2.110 -6.839 1.00 0.00 H \r\n< HETATM 1743 H6 LG1 n 1 13.096 3.579 -7.662 1.00 0.00 H \r\n< HETATM 1744 H7 LG1 n 1 12.150 4.631 -3.951 1.00 0.00 H \r\n< HETATM 1745 H8 LG1 n 1 13.527 0.973 -2.634 1.00 0.00 H \r\n< HETATM 1746 H9 LG1 n 1 14.189 -0.329 -2.063 1.00 0.00 H \r\n< HETATM 1747 H10 LG1 n 1 14.648 1.077 -1.542 1.00 0.00 H \r\n< HETATM 1748 H11 LG1 n 1 11.885 4.893 -6.211 1.00 0.00 H \r\n< HETATM 1749 H12 LG1 n 1 17.094 -0.159 -4.058 1.00 0.00 H \r\n< TER \r\n< HETATM 1751 S1 LG1 o 1 -7.701 -9.732 -7.803 1.00 0.00 S \r\n< HETATM 1752 S2 LG1 o 1 -8.883 -11.945 -9.376 1.00 0.00 S \r\n< HETATM 1753 N1 LG1 o 1 -9.774 -11.013 -7.035 1.00 0.00 N \r\n< HETATM 1754 O1 LG1 o 1 -12.800 -12.279 -8.304 1.00 0.00 O \r\n< HETATM 1755 C1 LG1 o 1 -8.438 -9.231 -6.295 1.00 0.00 C \r\n< HETATM 1756 O2 LG1 o 1 -10.396 -9.952 -5.114 1.00 0.00 O \r\n< HETATM 1757 C2 LG1 o 1 -8.878 -10.973 -8.073 1.00 0.00 C \r\n< HETATM 1758 C3 LG1 o 1 -10.896 -11.925 -7.025 1.00 0.00 C \r\n< HETATM 1759 C4 LG1 o 1 -5.141 -4.805 -4.731 1.00 0.00 C \r\n< HETATM 1760 C5 LG1 o 1 -6.902 -6.566 -4.315 1.00 0.00 C \r\n< HETATM 1761 C6 LG1 o 1 -9.625 -10.053 -6.039 1.00 0.00 C \r\n< HETATM 1762 C7 LG1 o 1 -5.907 -5.589 -3.881 1.00 0.00 C \r\n< HETATM 1763 C8 LG1 o 1 -6.966 -7.379 -5.384 1.00 0.00 C \r\n< HETATM 1764 C9 LG1 o 1 -12.064 -11.356 -7.768 1.00 0.00 C \r\n< HETATM 1765 C10 LG1 o 1 -5.722 -5.415 -2.526 1.00 0.00 C \r\n< HETATM 1766 C11 LG1 o 1 -4.800 -4.524 -2.026 1.00 0.00 C \r\n< HETATM 1767 O3 LG1 o 1 -12.276 -10.166 -7.835 1.00 0.00 O \r\n< HETATM 1768 C12 LG1 o 1 -4.235 -3.906 -4.232 1.00 0.00 C \r\n< HETATM 1769 C13 LG1 o 1 -5.922 -7.438 -6.462 1.00 0.00 C \r\n< HETATM 1770 C14 LG1 o 1 -4.069 -3.754 -2.888 1.00 0.00 C \r\n< HETATM 1771 C15 LG1 o 1 -8.082 -8.280 -5.427 1.00 0.00 C \r\n< HETATM 1772 H13 LG1 o 1 -13.421 -11.947 -8.736 1.00 0.00 H \r\n< HETATM 1773 H1 LG1 o 1 -10.632 -12.764 -7.434 1.00 0.00 H \r\n< HETATM 1774 H2 LG1 o 1 -11.154 -12.106 -6.108 1.00 0.00 H \r\n< HETATM 1775 H3 LG1 o 1 -5.245 -4.890 -5.650 1.00 0.00 H \r\n< HETATM 1776 H4 LG1 o 1 -7.630 -6.641 -3.741 1.00 0.00 H \r\n< HETATM 1777 H5 LG1 o 1 -6.236 -5.914 -1.932 1.00 0.00 H \r\n< HETATM 1778 H6 LG1 o 1 -4.673 -4.446 -1.109 1.00 0.00 H \r\n< HETATM 1779 H7 LG1 o 1 -3.727 -3.393 -4.819 1.00 0.00 H \r\n< HETATM 1780 H8 LG1 o 1 -5.104 -7.051 -6.137 1.00 0.00 H \r\n< HETATM 1781 H9 LG1 o 1 -5.766 -8.353 -6.708 1.00 0.00 H \r\n< HETATM 1782 H10 LG1 o 1 -6.226 -6.947 -7.229 1.00 0.00 H \r\n< HETATM 1783 H11 LG1 o 1 -3.462 -3.131 -2.560 1.00 0.00 H \r\n< HETATM 1784 H12 LG1 o 1 -8.671 -8.183 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 1786 S1 LG1 p 1 -9.872 -9.732 9.748 1.00 0.00 S \r\n< HETATM 1787 S2 LG1 p 1 -11.053 -11.945 8.175 1.00 0.00 S \r\n< HETATM 1788 N1 LG1 p 1 -11.945 -11.013 10.516 1.00 0.00 N \r\n< HETATM 1789 O1 LG1 p 1 -14.971 -12.279 9.247 1.00 0.00 O \r\n< HETATM 1790 C1 LG1 p 1 -10.609 -9.231 11.257 1.00 0.00 C \r\n< HETATM 1791 O2 LG1 p 1 -12.566 -9.952 12.438 1.00 0.00 O \r\n< HETATM 1792 C2 LG1 p 1 -11.048 -10.973 9.479 1.00 0.00 C \r\n< HETATM 1793 C3 LG1 p 1 -13.066 -11.925 10.526 1.00 0.00 C \r\n< HETATM 1794 C4 LG1 p 1 -7.312 -4.805 12.821 1.00 0.00 C \r\n< HETATM 1795 C5 LG1 p 1 -9.072 -6.566 13.237 1.00 0.00 C \r\n< HETATM 1796 C6 LG1 p 1 -11.796 -10.053 11.513 1.00 0.00 C \r\n< HETATM 1797 C7 LG1 p 1 -8.078 -5.589 13.671 1.00 0.00 C \r\n< HETATM 1798 C8 LG1 p 1 -9.137 -7.379 12.167 1.00 0.00 C \r\n< HETATM 1799 C9 LG1 p 1 -14.235 -11.356 9.784 1.00 0.00 C \r\n< HETATM 1800 C10 LG1 p 1 -7.893 -5.415 15.025 1.00 0.00 C \r\n< HETATM 1801 C11 LG1 p 1 -6.970 -4.524 15.526 1.00 0.00 C \r\n< HETATM 1802 O3 LG1 p 1 -14.447 -10.166 9.717 1.00 0.00 O \r\n< HETATM 1803 C12 LG1 p 1 -6.406 -3.906 13.319 1.00 0.00 C \r\n< HETATM 1804 C13 LG1 p 1 -8.092 -7.438 11.090 1.00 0.00 C \r\n< HETATM 1805 C14 LG1 p 1 -6.240 -3.754 14.664 1.00 0.00 C \r\n< HETATM 1806 C15 LG1 p 1 -10.252 -8.280 12.125 1.00 0.00 C \r\n< HETATM 1807 H13 LG1 p 1 -15.592 -11.947 8.815 1.00 0.00 H \r\n< HETATM 1808 H1 LG1 p 1 -12.803 -12.764 10.117 1.00 0.00 H \r\n< HETATM 1809 H2 LG1 p 1 -13.324 -12.106 11.443 1.00 0.00 H \r\n< HETATM 1810 H3 LG1 p 1 -7.415 -4.890 11.902 1.00 0.00 H \r\n< HETATM 1811 H4 LG1 p 1 -9.800 -6.641 13.810 1.00 0.00 H \r\n< HETATM 1812 H5 LG1 p 1 -8.406 -5.914 15.619 1.00 0.00 H \r\n< HETATM 1813 H6 LG1 p 1 -6.844 -4.446 16.443 1.00 0.00 H \r\n< HETATM 1814 H7 LG1 p 1 -5.898 -3.393 12.732 1.00 0.00 H \r\n< HETATM 1815 H8 LG1 p 1 -7.275 -7.051 11.414 1.00 0.00 H \r\n< HETATM 1816 H9 LG1 p 1 -7.937 -8.353 10.844 1.00 0.00 H \r\n< HETATM 1817 H10 LG1 p 1 -8.396 -6.947 10.323 1.00 0.00 H \r\n< HETATM 1818 H11 LG1 p 1 -5.632 -3.131 14.991 1.00 0.00 H \r\n< HETATM 1819 H12 LG1 p 1 -10.841 -8.183 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 1821 S1 LG1 q 1 -7.701 -4.382 -7.803 1.00 0.00 S \r\n< HETATM 1822 S2 LG1 q 1 -8.883 -6.596 -9.376 1.00 0.00 S \r\n< HETATM 1823 N1 LG1 q 1 -9.774 -5.664 -7.035 1.00 0.00 N \r\n< HETATM 1824 O1 LG1 q 1 -12.800 -6.930 -8.304 1.00 0.00 O \r\n< HETATM 1825 C1 LG1 q 1 -8.438 -3.881 -6.295 1.00 0.00 C \r\n< HETATM 1826 O2 LG1 q 1 -10.396 -4.603 -5.114 1.00 0.00 O \r\n< HETATM 1827 C2 LG1 q 1 -8.878 -5.624 -8.073 1.00 0.00 C \r\n< HETATM 1828 C3 LG1 q 1 -10.896 -6.576 -7.025 1.00 0.00 C \r\n< HETATM 1829 C4 LG1 q 1 -5.141 0.545 -4.731 1.00 0.00 C \r\n< HETATM 1830 C5 LG1 q 1 -6.902 -1.217 -4.315 1.00 0.00 C \r\n< HETATM 1831 C6 LG1 q 1 -9.625 -4.704 -6.039 1.00 0.00 C \r\n< HETATM 1832 C7 LG1 q 1 -5.907 -0.240 -3.881 1.00 0.00 C \r\n< HETATM 1833 C8 LG1 q 1 -6.966 -2.030 -5.384 1.00 0.00 C \r\n< HETATM 1834 C9 LG1 q 1 -12.064 -6.007 -7.768 1.00 0.00 C \r\n< HETATM 1835 C10 LG1 q 1 -5.722 -0.066 -2.526 1.00 0.00 C \r\n< HETATM 1836 C11 LG1 q 1 -4.800 0.825 -2.026 1.00 0.00 C \r\n< HETATM 1837 O3 LG1 q 1 -12.276 -4.816 -7.835 1.00 0.00 O \r\n< HETATM 1838 C12 LG1 q 1 -4.235 1.443 -4.232 1.00 0.00 C \r\n< HETATM 1839 C13 LG1 q 1 -5.922 -2.089 -6.462 1.00 0.00 C \r\n< HETATM 1840 C14 LG1 q 1 -4.069 1.595 -2.888 1.00 0.00 C \r\n< HETATM 1841 C15 LG1 q 1 -8.082 -2.931 -5.427 1.00 0.00 C \r\n< HETATM 1842 H13 LG1 q 1 -13.421 -6.597 -8.736 1.00 0.00 H \r\n< HETATM 1843 H1 LG1 q 1 -10.632 -7.415 -7.434 1.00 0.00 H \r\n< HETATM 1844 H2 LG1 q 1 -11.154 -6.757 -6.108 1.00 0.00 H \r\n< HETATM 1845 H3 LG1 q 1 -5.245 0.459 -5.650 1.00 0.00 H \r\n< HETATM 1846 H4 LG1 q 1 -7.630 -1.292 -3.741 1.00 0.00 H \r\n< HETATM 1847 H5 LG1 q 1 -6.236 -0.565 -1.932 1.00 0.00 H \r\n< HETATM 1848 H6 LG1 q 1 -4.673 0.904 -1.109 1.00 0.00 H \r\n< HETATM 1849 H7 LG1 q 1 -3.727 1.956 -4.819 1.00 0.00 H \r\n< HETATM 1850 H8 LG1 q 1 -5.104 -1.701 -6.137 1.00 0.00 H \r\n< HETATM 1851 H9 LG1 q 1 -5.766 -3.004 -6.708 1.00 0.00 H \r\n< HETATM 1852 H10 LG1 q 1 -6.226 -1.598 -7.229 1.00 0.00 H \r\n< HETATM 1853 H11 LG1 q 1 -3.462 2.218 -2.560 1.00 0.00 H \r\n< HETATM 1854 H12 LG1 q 1 -8.671 -2.834 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 1856 S1 LG1 r 1 -9.872 -4.382 9.748 1.00 0.00 S \r\n< HETATM 1857 S2 LG1 r 1 -11.053 -6.596 8.175 1.00 0.00 S \r\n< HETATM 1858 N1 LG1 r 1 -11.945 -5.664 10.516 1.00 0.00 N \r\n< HETATM 1859 O1 LG1 r 1 -14.971 -6.930 9.247 1.00 0.00 O \r\n< HETATM 1860 C1 LG1 r 1 -10.609 -3.881 11.257 1.00 0.00 C \r\n< HETATM 1861 O2 LG1 r 1 -12.566 -4.603 12.438 1.00 0.00 O \r\n< HETATM 1862 C2 LG1 r 1 -11.048 -5.624 9.479 1.00 0.00 C \r\n< HETATM 1863 C3 LG1 r 1 -13.066 -6.576 10.526 1.00 0.00 C \r\n< HETATM 1864 C4 LG1 r 1 -7.312 0.545 12.821 1.00 0.00 C \r\n< HETATM 1865 C5 LG1 r 1 -9.072 -1.217 13.237 1.00 0.00 C \r\n< HETATM 1866 C6 LG1 r 1 -11.796 -4.704 11.513 1.00 0.00 C \r\n< HETATM 1867 C7 LG1 r 1 -8.078 -0.240 13.671 1.00 0.00 C \r\n< HETATM 1868 C8 LG1 r 1 -9.137 -2.030 12.167 1.00 0.00 C \r\n< HETATM 1869 C9 LG1 r 1 -14.235 -6.007 9.784 1.00 0.00 C \r\n< HETATM 1870 C10 LG1 r 1 -7.893 -0.066 15.025 1.00 0.00 C \r\n< HETATM 1871 C11 LG1 r 1 -6.970 0.825 15.526 1.00 0.00 C \r\n< HETATM 1872 O3 LG1 r 1 -14.447 -4.816 9.717 1.00 0.00 O \r\n< HETATM 1873 C12 LG1 r 1 -6.406 1.443 13.319 1.00 0.00 C \r\n< HETATM 1874 C13 LG1 r 1 -8.092 -2.089 11.090 1.00 0.00 C \r\n< HETATM 1875 C14 LG1 r 1 -6.240 1.595 14.664 1.00 0.00 C \r\n< HETATM 1876 C15 LG1 r 1 -10.252 -2.931 12.125 1.00 0.00 C \r\n< HETATM 1877 H13 LG1 r 1 -15.592 -6.597 8.815 1.00 0.00 H \r\n< HETATM 1878 H1 LG1 r 1 -12.803 -7.415 10.117 1.00 0.00 H \r\n< HETATM 1879 H2 LG1 r 1 -13.324 -6.757 11.443 1.00 0.00 H \r\n< HETATM 1880 H3 LG1 r 1 -7.415 0.459 11.902 1.00 0.00 H \r\n< HETATM 1881 H4 LG1 r 1 -9.800 -1.292 13.810 1.00 0.00 H \r\n< HETATM 1882 H5 LG1 r 1 -8.406 -0.565 15.619 1.00 0.00 H \r\n< HETATM 1883 H6 LG1 r 1 -6.844 0.904 16.443 1.00 0.00 H \r\n< HETATM 1884 H7 LG1 r 1 -5.898 1.956 12.732 1.00 0.00 H \r\n< HETATM 1885 H8 LG1 r 1 -7.275 -1.701 11.414 1.00 0.00 H \r\n< HETATM 1886 H9 LG1 r 1 -7.937 -3.004 10.844 1.00 0.00 H \r\n< HETATM 1887 H10 LG1 r 1 -8.396 -1.598 10.323 1.00 0.00 H \r\n< HETATM 1888 H11 LG1 r 1 -5.632 2.218 14.991 1.00 0.00 H \r\n< HETATM 1889 H12 LG1 r 1 -10.841 -2.834 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 1891 S1 LG1 s 1 -7.701 0.967 -7.803 1.00 0.00 S \r\n< HETATM 1892 S2 LG1 s 1 -8.883 -1.246 -9.376 1.00 0.00 S \r\n< HETATM 1893 N1 LG1 s 1 -9.774 -0.315 -7.035 1.00 0.00 N \r\n< HETATM 1894 O1 LG1 s 1 -12.800 -1.580 -8.304 1.00 0.00 O \r\n< HETATM 1895 C1 LG1 s 1 -8.438 1.468 -6.295 1.00 0.00 C \r\n< HETATM 1896 O2 LG1 s 1 -10.396 0.747 -5.114 1.00 0.00 O \r\n< HETATM 1897 C2 LG1 s 1 -8.878 -0.274 -8.073 1.00 0.00 C \r\n< HETATM 1898 C3 LG1 s 1 -10.896 -1.227 -7.025 1.00 0.00 C \r\n< HETATM 1899 C4 LG1 s 1 -5.141 5.894 -4.731 1.00 0.00 C \r\n< HETATM 1900 C5 LG1 s 1 -6.902 4.132 -4.315 1.00 0.00 C \r\n< HETATM 1901 C6 LG1 s 1 -9.625 0.646 -6.039 1.00 0.00 C \r\n< HETATM 1902 C7 LG1 s 1 -5.907 5.109 -3.881 1.00 0.00 C \r\n< HETATM 1903 C8 LG1 s 1 -6.966 3.319 -5.384 1.00 0.00 C \r\n< HETATM 1904 C9 LG1 s 1 -12.064 -0.658 -7.768 1.00 0.00 C \r\n< HETATM 1905 C10 LG1 s 1 -5.722 5.284 -2.526 1.00 0.00 C \r\n< HETATM 1906 C11 LG1 s 1 -4.800 6.174 -2.026 1.00 0.00 C \r\n< HETATM 1907 O3 LG1 s 1 -12.276 0.533 -7.835 1.00 0.00 O \r\n< HETATM 1908 C12 LG1 s 1 -4.235 6.793 -4.232 1.00 0.00 C \r\n< HETATM 1909 C13 LG1 s 1 -5.922 3.260 -6.462 1.00 0.00 C \r\n< HETATM 1910 C14 LG1 s 1 -4.069 6.944 -2.888 1.00 0.00 C \r\n< HETATM 1911 C15 LG1 s 1 -8.082 2.419 -5.427 1.00 0.00 C \r\n< HETATM 1912 H13 LG1 s 1 -13.421 -1.248 -8.736 1.00 0.00 H \r\n< HETATM 1913 H1 LG1 s 1 -10.632 -2.065 -7.434 1.00 0.00 H \r\n< HETATM 1914 H2 LG1 s 1 -11.154 -1.408 -6.108 1.00 0.00 H \r\n< HETATM 1915 H3 LG1 s 1 -5.245 5.808 -5.650 1.00 0.00 H \r\n< HETATM 1916 H4 LG1 s 1 -7.630 4.057 -3.741 1.00 0.00 H \r\n< HETATM 1917 H5 LG1 s 1 -6.236 4.785 -1.932 1.00 0.00 H \r\n< HETATM 1918 H6 LG1 s 1 -4.673 6.253 -1.109 1.00 0.00 H \r\n< HETATM 1919 H7 LG1 s 1 -3.727 7.305 -4.819 1.00 0.00 H \r\n< HETATM 1920 H8 LG1 s 1 -5.104 3.648 -6.137 1.00 0.00 H \r\n< HETATM 1921 H9 LG1 s 1 -5.766 2.346 -6.708 1.00 0.00 H \r\n< HETATM 1922 H10 LG1 s 1 -6.226 3.752 -7.229 1.00 0.00 H \r\n< HETATM 1923 H11 LG1 s 1 -3.462 7.568 -2.560 1.00 0.00 H \r\n< HETATM 1924 H12 LG1 s 1 -8.671 2.516 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 1926 S1 LG1 t 1 -9.872 0.967 9.748 1.00 0.00 S \r\n< HETATM 1927 S2 LG1 t 1 -11.053 -1.246 8.175 1.00 0.00 S \r\n< HETATM 1928 N1 LG1 t 1 -11.945 -0.315 10.516 1.00 0.00 N \r\n< HETATM 1929 O1 LG1 t 1 -14.971 -1.580 9.247 1.00 0.00 O \r\n< HETATM 1930 C1 LG1 t 1 -10.609 1.468 11.257 1.00 0.00 C \r\n< HETATM 1931 O2 LG1 t 1 -12.566 0.747 12.438 1.00 0.00 O \r\n< HETATM 1932 C2 LG1 t 1 -11.048 -0.274 9.479 1.00 0.00 C \r\n< HETATM 1933 C3 LG1 t 1 -13.066 -1.227 10.526 1.00 0.00 C \r\n< HETATM 1934 C4 LG1 t 1 -7.312 5.894 12.821 1.00 0.00 C \r\n< HETATM 1935 C5 LG1 t 1 -9.072 4.132 13.237 1.00 0.00 C \r\n< HETATM 1936 C6 LG1 t 1 -11.796 0.646 11.513 1.00 0.00 C \r\n< HETATM 1937 C7 LG1 t 1 -8.078 5.109 13.671 1.00 0.00 C \r\n< HETATM 1938 C8 LG1 t 1 -9.137 3.319 12.167 1.00 0.00 C \r\n< HETATM 1939 C9 LG1 t 1 -14.235 -0.658 9.784 1.00 0.00 C \r\n< HETATM 1940 C10 LG1 t 1 -7.893 5.284 15.025 1.00 0.00 C \r\n< HETATM 1941 C11 LG1 t 1 -6.970 6.174 15.526 1.00 0.00 C \r\n< HETATM 1942 O3 LG1 t 1 -14.447 0.533 9.717 1.00 0.00 O \r\n< HETATM 1943 C12 LG1 t 1 -6.406 6.793 13.319 1.00 0.00 C \r\n< HETATM 1944 C13 LG1 t 1 -8.092 3.260 11.090 1.00 0.00 C \r\n< HETATM 1945 C14 LG1 t 1 -6.240 6.944 14.664 1.00 0.00 C \r\n< HETATM 1946 C15 LG1 t 1 -10.252 2.419 12.125 1.00 0.00 C \r\n< HETATM 1947 H13 LG1 t 1 -15.592 -1.248 8.815 1.00 0.00 H \r\n< HETATM 1948 H1 LG1 t 1 -12.803 -2.065 10.117 1.00 0.00 H \r\n< HETATM 1949 H2 LG1 t 1 -13.324 -1.408 11.443 1.00 0.00 H \r\n< HETATM 1950 H3 LG1 t 1 -7.415 5.808 11.902 1.00 0.00 H \r\n< HETATM 1951 H4 LG1 t 1 -9.800 4.057 13.810 1.00 0.00 H \r\n< HETATM 1952 H5 LG1 t 1 -8.406 4.785 15.619 1.00 0.00 H \r\n< HETATM 1953 H6 LG1 t 1 -6.844 6.253 16.443 1.00 0.00 H \r\n< HETATM 1954 H7 LG1 t 1 -5.898 7.305 12.732 1.00 0.00 H \r\n< HETATM 1955 H8 LG1 t 1 -7.275 3.648 11.414 1.00 0.00 H \r\n< HETATM 1956 H9 LG1 t 1 -7.937 2.346 10.844 1.00 0.00 H \r\n< HETATM 1957 H10 LG1 t 1 -8.396 3.752 10.323 1.00 0.00 H \r\n< HETATM 1958 H11 LG1 t 1 -5.632 7.568 14.991 1.00 0.00 H \r\n< HETATM 1959 H12 LG1 t 1 -10.841 2.516 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 1961 S1 LG1 u 1 -7.701 6.316 -7.803 1.00 0.00 S \r\n< HETATM 1962 S2 LG1 u 1 -8.883 4.103 -9.376 1.00 0.00 S \r\n< HETATM 1963 N1 LG1 u 1 -9.774 5.035 -7.035 1.00 0.00 N \r\n< HETATM 1964 O1 LG1 u 1 -12.800 3.769 -8.304 1.00 0.00 O \r\n< HETATM 1965 C1 LG1 u 1 -8.438 6.818 -6.295 1.00 0.00 C \r\n< HETATM 1966 O2 LG1 u 1 -10.396 6.096 -5.114 1.00 0.00 O \r\n< HETATM 1967 C2 LG1 u 1 -8.878 5.075 -8.073 1.00 0.00 C \r\n< HETATM 1968 C3 LG1 u 1 -10.896 4.123 -7.025 1.00 0.00 C \r\n< HETATM 1969 C4 LG1 u 1 -5.141 11.243 -4.731 1.00 0.00 C \r\n< HETATM 1970 C5 LG1 u 1 -6.902 9.482 -4.315 1.00 0.00 C \r\n< HETATM 1971 C6 LG1 u 1 -9.625 5.995 -6.039 1.00 0.00 C \r\n< HETATM 1972 C7 LG1 u 1 -5.907 10.459 -3.881 1.00 0.00 C \r\n< HETATM 1973 C8 LG1 u 1 -6.966 8.669 -5.384 1.00 0.00 C \r\n< HETATM 1974 C9 LG1 u 1 -12.064 4.692 -7.768 1.00 0.00 C \r\n< HETATM 1975 C10 LG1 u 1 -5.722 10.633 -2.526 1.00 0.00 C \r\n< HETATM 1976 C11 LG1 u 1 -4.800 11.524 -2.026 1.00 0.00 C \r\n< HETATM 1977 O3 LG1 u 1 -12.276 5.882 -7.835 1.00 0.00 O \r\n< HETATM 1978 C12 LG1 u 1 -4.235 12.142 -4.232 1.00 0.00 C \r\n< HETATM 1979 C13 LG1 u 1 -5.922 8.610 -6.462 1.00 0.00 C \r\n< HETATM 1980 C14 LG1 u 1 -4.069 12.294 -2.888 1.00 0.00 C \r\n< HETATM 1981 C15 LG1 u 1 -8.082 7.768 -5.427 1.00 0.00 C \r\n< HETATM 1982 H13 LG1 u 1 -13.421 4.101 -8.736 1.00 0.00 H \r\n< HETATM 1983 H1 LG1 u 1 -10.632 3.284 -7.434 1.00 0.00 H \r\n< HETATM 1984 H2 LG1 u 1 -11.154 3.942 -6.108 1.00 0.00 H \r\n< HETATM 1985 H3 LG1 u 1 -5.245 11.158 -5.650 1.00 0.00 H \r\n< HETATM 1986 H4 LG1 u 1 -7.630 9.407 -3.741 1.00 0.00 H \r\n< HETATM 1987 H5 LG1 u 1 -6.236 10.134 -1.932 1.00 0.00 H \r\n< HETATM 1988 H6 LG1 u 1 -4.673 11.603 -1.109 1.00 0.00 H \r\n< HETATM 1989 H7 LG1 u 1 -3.727 12.655 -4.819 1.00 0.00 H \r\n< HETATM 1990 H8 LG1 u 1 -5.104 8.997 -6.137 1.00 0.00 H \r\n< HETATM 1991 H9 LG1 u 1 -5.766 7.695 -6.708 1.00 0.00 H \r\n< HETATM 1992 H10 LG1 u 1 -6.226 9.101 -7.229 1.00 0.00 H \r\n< HETATM 1993 H11 LG1 u 1 -3.462 12.917 -2.560 1.00 0.00 H \r\n< HETATM 1994 H12 LG1 u 1 -8.671 7.865 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 1996 S1 LG1 v 1 -9.872 6.316 9.748 1.00 0.00 S \r\n< HETATM 1997 S2 LG1 v 1 -11.053 4.103 8.175 1.00 0.00 S \r\n< HETATM 1998 N1 LG1 v 1 -11.945 5.035 10.516 1.00 0.00 N \r\n< HETATM 1999 O1 LG1 v 1 -14.971 3.769 9.247 1.00 0.00 O \r\n< HETATM 2000 C1 LG1 v 1 -10.609 6.818 11.257 1.00 0.00 C \r\n< HETATM 2001 O2 LG1 v 1 -12.566 6.096 12.438 1.00 0.00 O \r\n< HETATM 2002 C2 LG1 v 1 -11.048 5.075 9.479 1.00 0.00 C \r\n< HETATM 2003 C3 LG1 v 1 -13.066 4.123 10.526 1.00 0.00 C \r\n< HETATM 2004 C4 LG1 v 1 -7.312 11.243 12.821 1.00 0.00 C \r\n< HETATM 2005 C5 LG1 v 1 -9.072 9.482 13.237 1.00 0.00 C \r\n< HETATM 2006 C6 LG1 v 1 -11.796 5.995 11.513 1.00 0.00 C \r\n< HETATM 2007 C7 LG1 v 1 -8.078 10.459 13.671 1.00 0.00 C \r\n< HETATM 2008 C8 LG1 v 1 -9.137 8.669 12.167 1.00 0.00 C \r\n< HETATM 2009 C9 LG1 v 1 -14.235 4.692 9.784 1.00 0.00 C \r\n< HETATM 2010 C10 LG1 v 1 -7.893 10.633 15.025 1.00 0.00 C \r\n< HETATM 2011 C11 LG1 v 1 -6.970 11.524 15.526 1.00 0.00 C \r\n< HETATM 2012 O3 LG1 v 1 -14.447 5.882 9.717 1.00 0.00 O \r\n< HETATM 2013 C12 LG1 v 1 -6.406 12.142 13.319 1.00 0.00 C \r\n< HETATM 2014 C13 LG1 v 1 -8.092 8.610 11.090 1.00 0.00 C \r\n< HETATM 2015 C14 LG1 v 1 -6.240 12.294 14.664 1.00 0.00 C \r\n< HETATM 2016 C15 LG1 v 1 -10.252 7.768 12.125 1.00 0.00 C \r\n< HETATM 2017 H13 LG1 v 1 -15.592 4.101 8.815 1.00 0.00 H \r\n< HETATM 2018 H1 LG1 v 1 -12.803 3.284 10.117 1.00 0.00 H \r\n< HETATM 2019 H2 LG1 v 1 -13.324 3.942 11.443 1.00 0.00 H \r\n< HETATM 2020 H3 LG1 v 1 -7.415 11.158 11.902 1.00 0.00 H \r\n< HETATM 2021 H4 LG1 v 1 -9.800 9.407 13.810 1.00 0.00 H \r\n< HETATM 2022 H5 LG1 v 1 -8.406 10.134 15.619 1.00 0.00 H \r\n< HETATM 2023 H6 LG1 v 1 -6.844 11.603 16.443 1.00 0.00 H \r\n< HETATM 2024 H7 LG1 v 1 -5.898 12.655 12.732 1.00 0.00 H \r\n< HETATM 2025 H8 LG1 v 1 -7.275 8.997 11.414 1.00 0.00 H \r\n< HETATM 2026 H9 LG1 v 1 -7.937 7.695 10.844 1.00 0.00 H \r\n< HETATM 2027 H10 LG1 v 1 -8.396 9.101 10.323 1.00 0.00 H \r\n< HETATM 2028 H11 LG1 v 1 -5.632 12.917 14.991 1.00 0.00 H \r\n< HETATM 2029 H12 LG1 v 1 -10.841 7.865 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2031 S1 LG1 w 1 -7.701 11.666 -7.803 1.00 0.00 S \r\n< HETATM 2032 S2 LG1 w 1 -8.883 9.452 -9.376 1.00 0.00 S \r\n< HETATM 2033 N1 LG1 w 1 -9.774 10.384 -7.035 1.00 0.00 N \r\n< HETATM 2034 O1 LG1 w 1 -12.800 9.119 -8.304 1.00 0.00 O \r\n< HETATM 2035 C1 LG1 w 1 -8.438 12.167 -6.295 1.00 0.00 C \r\n< HETATM 2036 O2 LG1 w 1 -10.396 11.446 -5.114 1.00 0.00 O \r\n< HETATM 2037 C2 LG1 w 1 -8.878 10.424 -8.073 1.00 0.00 C \r\n< HETATM 2038 C3 LG1 w 1 -10.896 9.472 -7.025 1.00 0.00 C \r\n< HETATM 2039 C4 LG1 w 1 -5.141 16.593 -4.731 1.00 0.00 C \r\n< HETATM 2040 C5 LG1 w 1 -6.902 14.831 -4.315 1.00 0.00 C \r\n< HETATM 2041 C6 LG1 w 1 -9.625 11.344 -6.039 1.00 0.00 C \r\n< HETATM 2042 C7 LG1 w 1 -5.907 15.808 -3.881 1.00 0.00 C \r\n< HETATM 2043 C8 LG1 w 1 -6.966 14.018 -5.384 1.00 0.00 C \r\n< HETATM 2044 C9 LG1 w 1 -12.064 10.041 -7.768 1.00 0.00 C \r\n< HETATM 2045 C10 LG1 w 1 -5.722 15.982 -2.526 1.00 0.00 C \r\n< HETATM 2046 C11 LG1 w 1 -4.800 16.873 -2.026 1.00 0.00 C \r\n< HETATM 2047 O3 LG1 w 1 -12.276 11.232 -7.835 1.00 0.00 O \r\n< HETATM 2048 C12 LG1 w 1 -4.235 17.491 -4.232 1.00 0.00 C \r\n< HETATM 2049 C13 LG1 w 1 -5.922 13.959 -6.462 1.00 0.00 C \r\n< HETATM 2050 C14 LG1 w 1 -4.069 17.643 -2.888 1.00 0.00 C \r\n< HETATM 2051 C15 LG1 w 1 -8.082 13.118 -5.427 1.00 0.00 C \r\n< HETATM 2052 H13 LG1 w 1 -13.421 9.451 -8.736 1.00 0.00 H \r\n< HETATM 2053 H1 LG1 w 1 -10.632 8.633 -7.434 1.00 0.00 H \r\n< HETATM 2054 H2 LG1 w 1 -11.154 9.291 -6.108 1.00 0.00 H \r\n< HETATM 2055 H3 LG1 w 1 -5.245 16.507 -5.650 1.00 0.00 H \r\n< HETATM 2056 H4 LG1 w 1 -7.630 14.756 -3.741 1.00 0.00 H \r\n< HETATM 2057 H5 LG1 w 1 -6.236 15.484 -1.932 1.00 0.00 H \r\n< HETATM 2058 H6 LG1 w 1 -4.673 16.952 -1.109 1.00 0.00 H \r\n< HETATM 2059 H7 LG1 w 1 -3.727 18.004 -4.819 1.00 0.00 H \r\n< HETATM 2060 H8 LG1 w 1 -5.104 14.347 -6.137 1.00 0.00 H \r\n< HETATM 2061 H9 LG1 w 1 -5.766 13.045 -6.708 1.00 0.00 H \r\n< HETATM 2062 H10 LG1 w 1 -6.226 14.450 -7.229 1.00 0.00 H \r\n< HETATM 2063 H11 LG1 w 1 -3.462 18.267 -2.560 1.00 0.00 H \r\n< HETATM 2064 H12 LG1 w 1 -8.671 13.214 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 2066 S1 LG1 x 1 -9.872 11.666 9.748 1.00 0.00 S \r\n< HETATM 2067 S2 LG1 x 1 -11.053 9.452 8.175 1.00 0.00 S \r\n< HETATM 2068 N1 LG1 x 1 -11.945 10.384 10.516 1.00 0.00 N \r\n< HETATM 2069 O1 LG1 x 1 -14.971 9.119 9.247 1.00 0.00 O \r\n< HETATM 2070 C1 LG1 x 1 -10.609 12.167 11.257 1.00 0.00 C \r\n< HETATM 2071 O2 LG1 x 1 -12.566 11.446 12.438 1.00 0.00 O \r\n< HETATM 2072 C2 LG1 x 1 -11.048 10.424 9.479 1.00 0.00 C \r\n< HETATM 2073 C3 LG1 x 1 -13.066 9.472 10.526 1.00 0.00 C \r\n< HETATM 2074 C4 LG1 x 1 -7.312 16.593 12.821 1.00 0.00 C \r\n< HETATM 2075 C5 LG1 x 1 -9.072 14.831 13.237 1.00 0.00 C \r\n< HETATM 2076 C6 LG1 x 1 -11.796 11.344 11.513 1.00 0.00 C \r\n< HETATM 2077 C7 LG1 x 1 -8.078 15.808 13.671 1.00 0.00 C \r\n< HETATM 2078 C8 LG1 x 1 -9.137 14.018 12.167 1.00 0.00 C \r\n< HETATM 2079 C9 LG1 x 1 -14.235 10.041 9.784 1.00 0.00 C \r\n< HETATM 2080 C10 LG1 x 1 -7.893 15.982 15.025 1.00 0.00 C \r\n< HETATM 2081 C11 LG1 x 1 -6.970 16.873 15.526 1.00 0.00 C \r\n< HETATM 2082 O3 LG1 x 1 -14.447 11.232 9.717 1.00 0.00 O \r\n< HETATM 2083 C12 LG1 x 1 -6.406 17.491 13.319 1.00 0.00 C \r\n< HETATM 2084 C13 LG1 x 1 -8.092 13.959 11.090 1.00 0.00 C \r\n< HETATM 2085 C14 LG1 x 1 -6.240 17.643 14.664 1.00 0.00 C \r\n< HETATM 2086 C15 LG1 x 1 -10.252 13.118 12.125 1.00 0.00 C \r\n< HETATM 2087 H13 LG1 x 1 -15.592 9.451 8.815 1.00 0.00 H \r\n< HETATM 2088 H1 LG1 x 1 -12.803 8.633 10.117 1.00 0.00 H \r\n< HETATM 2089 H2 LG1 x 1 -13.324 9.291 11.443 1.00 0.00 H \r\n< HETATM 2090 H3 LG1 x 1 -7.415 16.507 11.902 1.00 0.00 H \r\n< HETATM 2091 H4 LG1 x 1 -9.800 14.756 13.810 1.00 0.00 H \r\n< HETATM 2092 H5 LG1 x 1 -8.406 15.484 15.619 1.00 0.00 H \r\n< HETATM 2093 H6 LG1 x 1 -6.844 16.952 16.443 1.00 0.00 H \r\n< HETATM 2094 H7 LG1 x 1 -5.898 18.004 12.732 1.00 0.00 H \r\n< HETATM 2095 H8 LG1 x 1 -7.275 14.347 11.414 1.00 0.00 H \r\n< HETATM 2096 H9 LG1 x 1 -7.937 13.045 10.844 1.00 0.00 H \r\n< HETATM 2097 H10 LG1 x 1 -8.396 14.450 10.323 1.00 0.00 H \r\n< HETATM 2098 H11 LG1 x 1 -5.632 18.267 14.991 1.00 0.00 H \r\n< HETATM 2099 H12 LG1 x 1 -10.841 13.214 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2101 S1 LG1 y 1 4.779 -9.732 9.748 1.00 0.00 S \r\n< HETATM 2102 S2 LG1 y 1 3.598 -11.945 8.175 1.00 0.00 S \r\n< HETATM 2103 N1 LG1 y 1 2.706 -11.013 10.516 1.00 0.00 N \r\n< HETATM 2104 O1 LG1 y 1 -0.320 -12.279 9.247 1.00 0.00 O \r\n< HETATM 2105 C1 LG1 y 1 4.042 -9.231 11.257 1.00 0.00 C \r\n< HETATM 2106 O2 LG1 y 1 2.085 -9.952 12.438 1.00 0.00 O \r\n< HETATM 2107 C2 LG1 y 1 3.603 -10.973 9.479 1.00 0.00 C \r\n< HETATM 2108 C3 LG1 y 1 1.584 -11.925 10.526 1.00 0.00 C \r\n< HETATM 2109 C4 LG1 y 1 7.339 -4.805 12.821 1.00 0.00 C \r\n< HETATM 2110 C5 LG1 y 1 5.579 -6.566 13.237 1.00 0.00 C \r\n< HETATM 2111 C6 LG1 y 1 2.855 -10.053 11.513 1.00 0.00 C \r\n< HETATM 2112 C7 LG1 y 1 6.573 -5.589 13.671 1.00 0.00 C \r\n< HETATM 2113 C8 LG1 y 1 5.514 -7.379 12.167 1.00 0.00 C \r\n< HETATM 2114 C9 LG1 y 1 0.416 -11.356 9.784 1.00 0.00 C \r\n< HETATM 2115 C10 LG1 y 1 6.758 -5.415 15.025 1.00 0.00 C \r\n< HETATM 2116 C11 LG1 y 1 7.681 -4.524 15.526 1.00 0.00 C \r\n< HETATM 2117 O3 LG1 y 1 0.204 -10.166 9.717 1.00 0.00 O \r\n< HETATM 2118 C12 LG1 y 1 8.245 -3.906 13.319 1.00 0.00 C \r\n< HETATM 2119 C13 LG1 y 1 6.559 -7.438 11.090 1.00 0.00 C \r\n< HETATM 2120 C14 LG1 y 1 8.411 -3.754 14.664 1.00 0.00 C \r\n< HETATM 2121 C15 LG1 y 1 4.398 -8.280 12.125 1.00 0.00 C \r\n< HETATM 2122 H13 LG1 y 1 -0.941 -11.947 8.815 1.00 0.00 H \r\n< HETATM 2123 H1 LG1 y 1 1.848 -12.764 10.117 1.00 0.00 H \r\n< HETATM 2124 H2 LG1 y 1 1.326 -12.106 11.443 1.00 0.00 H \r\n< HETATM 2125 H3 LG1 y 1 7.236 -4.890 11.902 1.00 0.00 H \r\n< HETATM 2126 H4 LG1 y 1 4.851 -6.641 13.810 1.00 0.00 H \r\n< HETATM 2127 H5 LG1 y 1 6.245 -5.914 15.619 1.00 0.00 H \r\n< HETATM 2128 H6 LG1 y 1 7.807 -4.446 16.443 1.00 0.00 H \r\n< HETATM 2129 H7 LG1 y 1 8.753 -3.393 12.732 1.00 0.00 H \r\n< HETATM 2130 H8 LG1 y 1 7.376 -7.051 11.414 1.00 0.00 H \r\n< HETATM 2131 H9 LG1 y 1 6.714 -8.353 10.844 1.00 0.00 H \r\n< HETATM 2132 H10 LG1 y 1 6.255 -6.947 10.323 1.00 0.00 H \r\n< HETATM 2133 H11 LG1 y 1 9.018 -3.131 14.991 1.00 0.00 H \r\n< HETATM 2134 H12 LG1 y 1 3.809 -8.183 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2136 S1 LG1 z 1 6.950 -4.382 -7.803 1.00 0.00 S \r\n< HETATM 2137 S2 LG1 z 1 5.768 -6.596 -9.376 1.00 0.00 S \r\n< HETATM 2138 N1 LG1 z 1 4.877 -5.664 -7.035 1.00 0.00 N \r\n< HETATM 2139 O1 LG1 z 1 1.851 -6.930 -8.304 1.00 0.00 O \r\n< HETATM 2140 C1 LG1 z 1 6.213 -3.881 -6.295 1.00 0.00 C \r\n< HETATM 2141 O2 LG1 z 1 4.255 -4.603 -5.114 1.00 0.00 O \r\n< HETATM 2142 C2 LG1 z 1 5.773 -5.624 -8.073 1.00 0.00 C \r\n< HETATM 2143 C3 LG1 z 1 3.755 -6.576 -7.025 1.00 0.00 C \r\n< HETATM 2144 C4 LG1 z 1 9.509 0.545 -4.731 1.00 0.00 C \r\n< HETATM 2145 C5 LG1 z 1 7.749 -1.217 -4.315 1.00 0.00 C \r\n< HETATM 2146 C6 LG1 z 1 5.026 -4.704 -6.039 1.00 0.00 C \r\n< HETATM 2147 C7 LG1 z 1 8.743 -0.240 -3.881 1.00 0.00 C \r\n< HETATM 2148 C8 LG1 z 1 7.684 -2.030 -5.384 1.00 0.00 C \r\n< HETATM 2149 C9 LG1 z 1 2.587 -6.007 -7.768 1.00 0.00 C \r\n< HETATM 2150 C10 LG1 z 1 8.929 -0.066 -2.526 1.00 0.00 C \r\n< HETATM 2151 C11 LG1 z 1 9.851 0.825 -2.026 1.00 0.00 C \r\n< HETATM 2152 O3 LG1 z 1 2.374 -4.816 -7.835 1.00 0.00 O \r\n< HETATM 2153 C12 LG1 z 1 10.416 1.443 -4.232 1.00 0.00 C \r\n< HETATM 2154 C13 LG1 z 1 8.729 -2.089 -6.462 1.00 0.00 C \r\n< HETATM 2155 C14 LG1 z 1 10.582 1.595 -2.888 1.00 0.00 C \r\n< HETATM 2156 C15 LG1 z 1 6.569 -2.931 -5.427 1.00 0.00 C \r\n< HETATM 2157 H13 LG1 z 1 1.229 -6.597 -8.736 1.00 0.00 H \r\n< HETATM 2158 H1 LG1 z 1 4.019 -7.415 -7.434 1.00 0.00 H \r\n< HETATM 2159 H2 LG1 z 1 3.497 -6.757 -6.108 1.00 0.00 H \r\n< HETATM 2160 H3 LG1 z 1 9.406 0.459 -5.650 1.00 0.00 H \r\n< HETATM 2161 H4 LG1 z 1 7.021 -1.292 -3.741 1.00 0.00 H \r\n< HETATM 2162 H5 LG1 z 1 8.415 -0.565 -1.932 1.00 0.00 H \r\n< HETATM 2163 H6 LG1 z 1 9.978 0.904 -1.109 1.00 0.00 H \r\n< HETATM 2164 H7 LG1 z 1 10.924 1.956 -4.819 1.00 0.00 H \r\n< HETATM 2165 H8 LG1 z 1 9.546 -1.701 -6.137 1.00 0.00 H \r\n< HETATM 2166 H9 LG1 z 1 8.885 -3.004 -6.708 1.00 0.00 H \r\n< HETATM 2167 H10 LG1 z 1 8.425 -1.598 -7.229 1.00 0.00 H \r\n< HETATM 2168 H11 LG1 z 1 11.189 2.218 -2.560 1.00 0.00 H \r\n< HETATM 2169 H12 LG1 z 1 5.980 -2.834 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 2171 S1 LG1 ! 1 4.779 -4.382 9.748 1.00 0.00 S \r\n< HETATM 2172 S2 LG1 ! 1 3.598 -6.596 8.175 1.00 0.00 S \r\n< HETATM 2173 N1 LG1 ! 1 2.706 -5.664 10.516 1.00 0.00 N \r\n< HETATM 2174 O1 LG1 ! 1 -0.320 -6.930 9.247 1.00 0.00 O \r\n< HETATM 2175 C1 LG1 ! 1 4.042 -3.881 11.257 1.00 0.00 C \r\n< HETATM 2176 O2 LG1 ! 1 2.085 -4.603 12.438 1.00 0.00 O \r\n< HETATM 2177 C2 LG1 ! 1 3.603 -5.624 9.479 1.00 0.00 C \r\n< HETATM 2178 C3 LG1 ! 1 1.584 -6.576 10.526 1.00 0.00 C \r\n< HETATM 2179 C4 LG1 ! 1 7.339 0.545 12.821 1.00 0.00 C \r\n< HETATM 2180 C5 LG1 ! 1 5.579 -1.217 13.237 1.00 0.00 C \r\n< HETATM 2181 C6 LG1 ! 1 2.855 -4.704 11.513 1.00 0.00 C \r\n< HETATM 2182 C7 LG1 ! 1 6.573 -0.240 13.671 1.00 0.00 C \r\n< HETATM 2183 C8 LG1 ! 1 5.514 -2.030 12.167 1.00 0.00 C \r\n< HETATM 2184 C9 LG1 ! 1 0.416 -6.007 9.784 1.00 0.00 C \r\n< HETATM 2185 C10 LG1 ! 1 6.758 -0.066 15.025 1.00 0.00 C \r\n< HETATM 2186 C11 LG1 ! 1 7.681 0.825 15.526 1.00 0.00 C \r\n< HETATM 2187 O3 LG1 ! 1 0.204 -4.816 9.717 1.00 0.00 O \r\n< HETATM 2188 C12 LG1 ! 1 8.245 1.443 13.319 1.00 0.00 C \r\n< HETATM 2189 C13 LG1 ! 1 6.559 -2.089 11.090 1.00 0.00 C \r\n< HETATM 2190 C14 LG1 ! 1 8.411 1.595 14.664 1.00 0.00 C \r\n< HETATM 2191 C15 LG1 ! 1 4.398 -2.931 12.125 1.00 0.00 C \r\n< HETATM 2192 H13 LG1 ! 1 -0.941 -6.597 8.815 1.00 0.00 H \r\n< HETATM 2193 H1 LG1 ! 1 1.848 -7.415 10.117 1.00 0.00 H \r\n< HETATM 2194 H2 LG1 ! 1 1.326 -6.757 11.443 1.00 0.00 H \r\n< HETATM 2195 H3 LG1 ! 1 7.236 0.459 11.902 1.00 0.00 H \r\n< HETATM 2196 H4 LG1 ! 1 4.851 -1.292 13.810 1.00 0.00 H \r\n< HETATM 2197 H5 LG1 ! 1 6.245 -0.565 15.619 1.00 0.00 H \r\n< HETATM 2198 H6 LG1 ! 1 7.807 0.904 16.443 1.00 0.00 H \r\n< HETATM 2199 H7 LG1 ! 1 8.753 1.956 12.732 1.00 0.00 H \r\n< HETATM 2200 H8 LG1 ! 1 7.376 -1.701 11.414 1.00 0.00 H \r\n< HETATM 2201 H9 LG1 ! 1 6.714 -3.004 10.844 1.00 0.00 H \r\n< HETATM 2202 H10 LG1 ! 1 6.255 -1.598 10.323 1.00 0.00 H \r\n< HETATM 2203 H11 LG1 ! 1 9.018 2.218 14.991 1.00 0.00 H \r\n< HETATM 2204 H12 LG1 ! 1 3.809 -2.834 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2206 S1 LG1 @ 1 6.950 0.967 -7.803 1.00 0.00 S \r\n< HETATM 2207 S2 LG1 @ 1 5.768 -1.246 -9.376 1.00 0.00 S \r\n< HETATM 2208 N1 LG1 @ 1 4.877 -0.315 -7.035 1.00 0.00 N \r\n< HETATM 2209 O1 LG1 @ 1 1.851 -1.580 -8.304 1.00 0.00 O \r\n< HETATM 2210 C1 LG1 @ 1 6.213 1.468 -6.295 1.00 0.00 C \r\n< HETATM 2211 O2 LG1 @ 1 4.255 0.747 -5.114 1.00 0.00 O \r\n< HETATM 2212 C2 LG1 @ 1 5.773 -0.274 -8.073 1.00 0.00 C \r\n< HETATM 2213 C3 LG1 @ 1 3.755 -1.227 -7.025 1.00 0.00 C \r\n< HETATM 2214 C4 LG1 @ 1 9.509 5.894 -4.731 1.00 0.00 C \r\n< HETATM 2215 C5 LG1 @ 1 7.749 4.132 -4.315 1.00 0.00 C \r\n< HETATM 2216 C6 LG1 @ 1 5.026 0.646 -6.039 1.00 0.00 C \r\n< HETATM 2217 C7 LG1 @ 1 8.743 5.109 -3.881 1.00 0.00 C \r\n< HETATM 2218 C8 LG1 @ 1 7.684 3.319 -5.384 1.00 0.00 C \r\n< HETATM 2219 C9 LG1 @ 1 2.587 -0.658 -7.768 1.00 0.00 C \r\n< HETATM 2220 C10 LG1 @ 1 8.929 5.284 -2.526 1.00 0.00 C \r\n< HETATM 2221 C11 LG1 @ 1 9.851 6.174 -2.026 1.00 0.00 C \r\n< HETATM 2222 O3 LG1 @ 1 2.374 0.533 -7.835 1.00 0.00 O \r\n< HETATM 2223 C12 LG1 @ 1 10.416 6.793 -4.232 1.00 0.00 C \r\n< HETATM 2224 C13 LG1 @ 1 8.729 3.260 -6.462 1.00 0.00 C \r\n< HETATM 2225 C14 LG1 @ 1 10.582 6.944 -2.888 1.00 0.00 C \r\n< HETATM 2226 C15 LG1 @ 1 6.569 2.419 -5.427 1.00 0.00 C \r\n< HETATM 2227 H13 LG1 @ 1 1.229 -1.248 -8.736 1.00 0.00 H \r\n< HETATM 2228 H1 LG1 @ 1 4.019 -2.065 -7.434 1.00 0.00 H \r\n< HETATM 2229 H2 LG1 @ 1 3.497 -1.408 -6.108 1.00 0.00 H \r\n< HETATM 2230 H3 LG1 @ 1 9.406 5.808 -5.650 1.00 0.00 H \r\n< HETATM 2231 H4 LG1 @ 1 7.021 4.057 -3.741 1.00 0.00 H \r\n< HETATM 2232 H5 LG1 @ 1 8.415 4.785 -1.932 1.00 0.00 H \r\n< HETATM 2233 H6 LG1 @ 1 9.978 6.253 -1.109 1.00 0.00 H \r\n< HETATM 2234 H7 LG1 @ 1 10.924 7.305 -4.819 1.00 0.00 H \r\n< HETATM 2235 H8 LG1 @ 1 9.546 3.648 -6.137 1.00 0.00 H \r\n< HETATM 2236 H9 LG1 @ 1 8.885 2.346 -6.708 1.00 0.00 H \r\n< HETATM 2237 H10 LG1 @ 1 8.425 3.752 -7.229 1.00 0.00 H \r\n< HETATM 2238 H11 LG1 @ 1 11.189 7.568 -2.560 1.00 0.00 H \r\n< HETATM 2239 H12 LG1 @ 1 5.980 2.516 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 2241 S1 LG1 # 1 4.779 0.967 9.748 1.00 0.00 S \r\n< HETATM 2242 S2 LG1 # 1 3.598 -1.246 8.175 1.00 0.00 S \r\n< HETATM 2243 N1 LG1 # 1 2.706 -0.315 10.516 1.00 0.00 N \r\n< HETATM 2244 O1 LG1 # 1 -0.320 -1.580 9.247 1.00 0.00 O \r\n< HETATM 2245 C1 LG1 # 1 4.042 1.468 11.257 1.00 0.00 C \r\n< HETATM 2246 O2 LG1 # 1 2.085 0.747 12.438 1.00 0.00 O \r\n< HETATM 2247 C2 LG1 # 1 3.603 -0.274 9.479 1.00 0.00 C \r\n< HETATM 2248 C3 LG1 # 1 1.584 -1.227 10.526 1.00 0.00 C \r\n< HETATM 2249 C4 LG1 # 1 7.339 5.894 12.821 1.00 0.00 C \r\n< HETATM 2250 C5 LG1 # 1 5.579 4.132 13.237 1.00 0.00 C \r\n< HETATM 2251 C6 LG1 # 1 2.855 0.646 11.513 1.00 0.00 C \r\n< HETATM 2252 C7 LG1 # 1 6.573 5.109 13.671 1.00 0.00 C \r\n< HETATM 2253 C8 LG1 # 1 5.514 3.319 12.167 1.00 0.00 C \r\n< HETATM 2254 C9 LG1 # 1 0.416 -0.658 9.784 1.00 0.00 C \r\n< HETATM 2255 C10 LG1 # 1 6.758 5.284 15.025 1.00 0.00 C \r\n< HETATM 2256 C11 LG1 # 1 7.681 6.174 15.526 1.00 0.00 C \r\n< HETATM 2257 O3 LG1 # 1 0.204 0.533 9.717 1.00 0.00 O \r\n< HETATM 2258 C12 LG1 # 1 8.245 6.793 13.319 1.00 0.00 C \r\n< HETATM 2259 C13 LG1 # 1 6.559 3.260 11.090 1.00 0.00 C \r\n< HETATM 2260 C14 LG1 # 1 8.411 6.944 14.664 1.00 0.00 C \r\n< HETATM 2261 C15 LG1 # 1 4.398 2.419 12.125 1.00 0.00 C \r\n< HETATM 2262 H13 LG1 # 1 -0.941 -1.248 8.815 1.00 0.00 H \r\n< HETATM 2263 H1 LG1 # 1 1.848 -2.065 10.117 1.00 0.00 H \r\n< HETATM 2264 H2 LG1 # 1 1.326 -1.408 11.443 1.00 0.00 H \r\n< HETATM 2265 H3 LG1 # 1 7.236 5.808 11.902 1.00 0.00 H \r\n< HETATM 2266 H4 LG1 # 1 4.851 4.057 13.810 1.00 0.00 H \r\n< HETATM 2267 H5 LG1 # 1 6.245 4.785 15.619 1.00 0.00 H \r\n< HETATM 2268 H6 LG1 # 1 7.807 6.253 16.443 1.00 0.00 H \r\n< HETATM 2269 H7 LG1 # 1 8.753 7.305 12.732 1.00 0.00 H \r\n< HETATM 2270 H8 LG1 # 1 7.376 3.648 11.414 1.00 0.00 H \r\n< HETATM 2271 H9 LG1 # 1 6.714 2.346 10.844 1.00 0.00 H \r\n< HETATM 2272 H10 LG1 # 1 6.255 3.752 10.323 1.00 0.00 H \r\n< HETATM 2273 H11 LG1 # 1 9.018 7.568 14.991 1.00 0.00 H \r\n< HETATM 2274 H12 LG1 # 1 3.809 2.516 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2276 S1 LG1 $ 1 6.950 6.316 -7.803 1.00 0.00 S \r\n< HETATM 2277 S2 LG1 $ 1 5.768 4.103 -9.376 1.00 0.00 S \r\n< HETATM 2278 N1 LG1 $ 1 4.877 5.035 -7.035 1.00 0.00 N \r\n< HETATM 2279 O1 LG1 $ 1 1.851 3.769 -8.304 1.00 0.00 O \r\n< HETATM 2280 C1 LG1 $ 1 6.213 6.818 -6.295 1.00 0.00 C \r\n< HETATM 2281 O2 LG1 $ 1 4.255 6.096 -5.114 1.00 0.00 O \r\n< HETATM 2282 C2 LG1 $ 1 5.773 5.075 -8.073 1.00 0.00 C \r\n< HETATM 2283 C3 LG1 $ 1 3.755 4.123 -7.025 1.00 0.00 C \r\n< HETATM 2284 C4 LG1 $ 1 9.509 11.243 -4.731 1.00 0.00 C \r\n< HETATM 2285 C5 LG1 $ 1 7.749 9.482 -4.315 1.00 0.00 C \r\n< HETATM 2286 C6 LG1 $ 1 5.026 5.995 -6.039 1.00 0.00 C \r\n< HETATM 2287 C7 LG1 $ 1 8.743 10.459 -3.881 1.00 0.00 C \r\n< HETATM 2288 C8 LG1 $ 1 7.684 8.669 -5.384 1.00 0.00 C \r\n< HETATM 2289 C9 LG1 $ 1 2.587 4.692 -7.768 1.00 0.00 C \r\n< HETATM 2290 C10 LG1 $ 1 8.929 10.633 -2.526 1.00 0.00 C \r\n< HETATM 2291 C11 LG1 $ 1 9.851 11.524 -2.026 1.00 0.00 C \r\n< HETATM 2292 O3 LG1 $ 1 2.374 5.882 -7.835 1.00 0.00 O \r\n< HETATM 2293 C12 LG1 $ 1 10.416 12.142 -4.232 1.00 0.00 C \r\n< HETATM 2294 C13 LG1 $ 1 8.729 8.610 -6.462 1.00 0.00 C \r\n< HETATM 2295 C14 LG1 $ 1 10.582 12.294 -2.888 1.00 0.00 C \r\n< HETATM 2296 C15 LG1 $ 1 6.569 7.768 -5.427 1.00 0.00 C \r\n< HETATM 2297 H13 LG1 $ 1 1.229 4.101 -8.736 1.00 0.00 H \r\n< HETATM 2298 H1 LG1 $ 1 4.019 3.284 -7.434 1.00 0.00 H \r\n< HETATM 2299 H2 LG1 $ 1 3.497 3.942 -6.108 1.00 0.00 H \r\n< HETATM 2300 H3 LG1 $ 1 9.406 11.158 -5.650 1.00 0.00 H \r\n< HETATM 2301 H4 LG1 $ 1 7.021 9.407 -3.741 1.00 0.00 H \r\n< HETATM 2302 H5 LG1 $ 1 8.415 10.134 -1.932 1.00 0.00 H \r\n< HETATM 2303 H6 LG1 $ 1 9.978 11.603 -1.109 1.00 0.00 H \r\n< HETATM 2304 H7 LG1 $ 1 10.924 12.655 -4.819 1.00 0.00 H \r\n< HETATM 2305 H8 LG1 $ 1 9.546 8.997 -6.137 1.00 0.00 H \r\n< HETATM 2306 H9 LG1 $ 1 8.885 7.695 -6.708 1.00 0.00 H \r\n< HETATM 2307 H10 LG1 $ 1 8.425 9.101 -7.229 1.00 0.00 H \r\n< HETATM 2308 H11 LG1 $ 1 11.189 12.917 -2.560 1.00 0.00 H \r\n< HETATM 2309 H12 LG1 $ 1 5.980 7.865 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 2311 S1 LG1 & 1 4.779 6.316 9.748 1.00 0.00 S \r\n< HETATM 2312 S2 LG1 & 1 3.598 4.103 8.175 1.00 0.00 S \r\n< HETATM 2313 N1 LG1 & 1 2.706 5.035 10.516 1.00 0.00 N \r\n< HETATM 2314 O1 LG1 & 1 -0.320 3.769 9.247 1.00 0.00 O \r\n< HETATM 2315 C1 LG1 & 1 4.042 6.818 11.257 1.00 0.00 C \r\n< HETATM 2316 O2 LG1 & 1 2.085 6.096 12.438 1.00 0.00 O \r\n< HETATM 2317 C2 LG1 & 1 3.603 5.075 9.479 1.00 0.00 C \r\n< HETATM 2318 C3 LG1 & 1 1.584 4.123 10.526 1.00 0.00 C \r\n< HETATM 2319 C4 LG1 & 1 7.339 11.243 12.821 1.00 0.00 C \r\n< HETATM 2320 C5 LG1 & 1 5.579 9.482 13.237 1.00 0.00 C \r\n< HETATM 2321 C6 LG1 & 1 2.855 5.995 11.513 1.00 0.00 C \r\n< HETATM 2322 C7 LG1 & 1 6.573 10.459 13.671 1.00 0.00 C \r\n< HETATM 2323 C8 LG1 & 1 5.514 8.669 12.167 1.00 0.00 C \r\n< HETATM 2324 C9 LG1 & 1 0.416 4.692 9.784 1.00 0.00 C \r\n< HETATM 2325 C10 LG1 & 1 6.758 10.633 15.025 1.00 0.00 C \r\n< HETATM 2326 C11 LG1 & 1 7.681 11.524 15.526 1.00 0.00 C \r\n< HETATM 2327 O3 LG1 & 1 0.204 5.882 9.717 1.00 0.00 O \r\n< HETATM 2328 C12 LG1 & 1 8.245 12.142 13.319 1.00 0.00 C \r\n< HETATM 2329 C13 LG1 & 1 6.559 8.610 11.090 1.00 0.00 C \r\n< HETATM 2330 C14 LG1 & 1 8.411 12.294 14.664 1.00 0.00 C \r\n< HETATM 2331 C15 LG1 & 1 4.398 7.768 12.125 1.00 0.00 C \r\n< HETATM 2332 H13 LG1 & 1 -0.941 4.101 8.815 1.00 0.00 H \r\n< HETATM 2333 H1 LG1 & 1 1.848 3.284 10.117 1.00 0.00 H \r\n< HETATM 2334 H2 LG1 & 1 1.326 3.942 11.443 1.00 0.00 H \r\n< HETATM 2335 H3 LG1 & 1 7.236 11.158 11.902 1.00 0.00 H \r\n< HETATM 2336 H4 LG1 & 1 4.851 9.407 13.810 1.00 0.00 H \r\n< HETATM 2337 H5 LG1 & 1 6.245 10.134 15.619 1.00 0.00 H \r\n< HETATM 2338 H6 LG1 & 1 7.807 11.603 16.443 1.00 0.00 H \r\n< HETATM 2339 H7 LG1 & 1 8.753 12.655 12.732 1.00 0.00 H \r\n< HETATM 2340 H8 LG1 & 1 7.376 8.997 11.414 1.00 0.00 H \r\n< HETATM 2341 H9 LG1 & 1 6.714 7.695 10.844 1.00 0.00 H \r\n< HETATM 2342 H10 LG1 & 1 6.255 9.101 10.323 1.00 0.00 H \r\n< HETATM 2343 H11 LG1 & 1 9.018 12.917 14.991 1.00 0.00 H \r\n< HETATM 2344 H12 LG1 & 1 3.809 7.865 12.839 1.00 0.00 H \r\n< TER \r\n< HETATM 2346 S1 LG1 . 1 6.950 11.666 -7.803 1.00 0.00 S \r\n< HETATM 2347 S2 LG1 . 1 5.768 9.452 -9.376 1.00 0.00 S \r\n< HETATM 2348 N1 LG1 . 1 4.877 10.384 -7.035 1.00 0.00 N \r\n< HETATM 2349 O1 LG1 . 1 1.851 9.119 -8.304 1.00 0.00 O \r\n< HETATM 2350 C1 LG1 . 1 6.213 12.167 -6.295 1.00 0.00 C \r\n< HETATM 2351 O2 LG1 . 1 4.255 11.446 -5.114 1.00 0.00 O \r\n< HETATM 2352 C2 LG1 . 1 5.773 10.424 -8.073 1.00 0.00 C \r\n< HETATM 2353 C3 LG1 . 1 3.755 9.472 -7.025 1.00 0.00 C \r\n< HETATM 2354 C4 LG1 . 1 9.509 16.593 -4.731 1.00 0.00 C \r\n< HETATM 2355 C5 LG1 . 1 7.749 14.831 -4.315 1.00 0.00 C \r\n< HETATM 2356 C6 LG1 . 1 5.026 11.344 -6.039 1.00 0.00 C \r\n< HETATM 2357 C7 LG1 . 1 8.743 15.808 -3.881 1.00 0.00 C \r\n< HETATM 2358 C8 LG1 . 1 7.684 14.018 -5.384 1.00 0.00 C \r\n< HETATM 2359 C9 LG1 . 1 2.587 10.041 -7.768 1.00 0.00 C \r\n< HETATM 2360 C10 LG1 . 1 8.929 15.982 -2.526 1.00 0.00 C \r\n< HETATM 2361 C11 LG1 . 1 9.851 16.873 -2.026 1.00 0.00 C \r\n< HETATM 2362 O3 LG1 . 1 2.374 11.232 -7.835 1.00 0.00 O \r\n< HETATM 2363 C12 LG1 . 1 10.416 17.491 -4.232 1.00 0.00 C \r\n< HETATM 2364 C13 LG1 . 1 8.729 13.959 -6.462 1.00 0.00 C \r\n< HETATM 2365 C14 LG1 . 1 10.582 17.643 -2.888 1.00 0.00 C \r\n< HETATM 2366 C15 LG1 . 1 6.569 13.118 -5.427 1.00 0.00 C \r\n< HETATM 2367 H13 LG1 . 1 1.229 9.451 -8.736 1.00 0.00 H \r\n< HETATM 2368 H1 LG1 . 1 4.019 8.633 -7.434 1.00 0.00 H \r\n< HETATM 2369 H2 LG1 . 1 3.497 9.291 -6.108 1.00 0.00 H \r\n< HETATM 2370 H3 LG1 . 1 9.406 16.507 -5.650 1.00 0.00 H \r\n< HETATM 2371 H4 LG1 . 1 7.021 14.756 -3.741 1.00 0.00 H \r\n< HETATM 2372 H5 LG1 . 1 8.415 15.484 -1.932 1.00 0.00 H \r\n< HETATM 2373 H6 LG1 . 1 9.978 16.952 -1.109 1.00 0.00 H \r\n< HETATM 2374 H7 LG1 . 1 10.924 18.004 -4.819 1.00 0.00 H \r\n< HETATM 2375 H8 LG1 . 1 9.546 14.347 -6.137 1.00 0.00 H \r\n< HETATM 2376 H9 LG1 . 1 8.885 13.045 -6.708 1.00 0.00 H \r\n< HETATM 2377 H10 LG1 . 1 8.425 14.450 -7.229 1.00 0.00 H \r\n< HETATM 2378 H11 LG1 . 1 11.189 18.267 -2.560 1.00 0.00 H \r\n< HETATM 2379 H12 LG1 . 1 5.980 13.214 -4.713 1.00 0.00 H \r\n< TER \r\n< HETATM 2381 S1 LG1 < 1 4.779 11.666 9.748 1.00 0.00 S \r\n< HETATM 2382 S2 LG1 < 1 3.598 9.452 8.175 1.00 0.00 S \r\n< HETATM 2383 N1 LG1 < 1 2.706 10.384 10.516 1.00 0.00 N \r\n< HETATM 2384 O1 LG1 < 1 -0.320 9.119 9.247 1.00 0.00 O \r\n< HETATM 2385 C1 LG1 < 1 4.042 12.167 11.257 1.00 0.00 C \r\n< HETATM 2386 O2 LG1 < 1 2.085 11.446 12.438 1.00 0.00 O \r\n< HETATM 2387 C2 LG1 < 1 3.603 10.424 9.479 1.00 0.00 C \r\n< HETATM 2388 C3 LG1 < 1 1.584 9.472 10.526 1.00 0.00 C \r\n< HETATM 2389 C4 LG1 < 1 7.339 16.593 12.821 1.00 0.00 C \r\n< HETATM 2390 C5 LG1 < 1 5.579 14.831 13.237 1.00 0.00 C \r\n< HETATM 2391 C6 LG1 < 1 2.855 11.344 11.513 1.00 0.00 C \r\n< HETATM 2392 C7 LG1 < 1 6.573 15.808 13.671 1.00 0.00 C \r\n< HETATM 2393 C8 LG1 < 1 5.514 14.018 12.167 1.00 0.00 C \r\n< HETATM 2394 C9 LG1 < 1 0.416 10.041 9.784 1.00 0.00 C \r\n< HETATM 2395 C10 LG1 < 1 6.758 15.982 15.025 1.00 0.00 C \r\n< HETATM 2396 C11 LG1 < 1 7.681 16.873 15.526 1.00 0.00 C \r\n< HETATM 2397 O3 LG1 < 1 0.204 11.232 9.717 1.00 0.00 O \r\n< HETATM 2398 C12 LG1 < 1 8.245 17.491 13.319 1.00 0.00 C \r\n< HETATM 2399 C13 LG1 < 1 6.559 13.959 11.090 1.00 0.00 C \r\n< HETATM 2400 C14 LG1 < 1 8.411 17.643 14.664 1.00 0.00 C \r\n< HETATM 2401 C15 LG1 < 1 4.398 13.118 12.125 1.00 0.00 C \r\n< HETATM 2402 H13 LG1 < 1 -0.941 9.451 8.815 1.00 0.00 H \r\n< HETATM 2403 H1 LG1 < 1 1.848 8.633 10.117 1.00 0.00 H \r\n< HETATM 2404 H2 LG1 < 1 1.326 9.291 11.443 1.00 0.00 H \r\n< HETATM 2405 H3 LG1 < 1 7.236 16.507 11.902 1.00 0.00 H \r\n< HETATM 2406 H4 LG1 < 1 4.851 14.756 13.810 1.00 0.00 H \r\n< HETATM 2407 H5 LG1 < 1 6.245 15.484 15.619 1.00 0.00 H \r\n< HETATM 2408 H6 LG1 < 1 7.807 16.952 16.443 1.00 0.00 H \r\n< HETATM 2409 H7 LG1 < 1 8.753 18.004 12.732 1.00 0.00 H \r\n< HETATM 2410 H8 LG1 < 1 7.376 14.347 11.414 1.00 0.00 H \r\n< HETATM 2411 H9 LG1 < 1 6.714 13.045 10.844 1.00 0.00 H \r\n< HETATM 2412 H10 LG1 < 1 6.255 14.450 10.323 1.00 0.00 H \r\n< HETATM 2413 H11 LG1 < 1 9.018 18.267 14.991 1.00 0.00 H \r\n< HETATM 2414 H12 LG1 < 1 3.809 13.214 12.839 1.00 0.00 H \r\n---\r\n> CRYST1 14.721 5.337 17.641 90.00 97.61 90.00 P 1 21/n 1 \r\n> HETATM 1 S1 LG1 X 1 -1.486 1.754 0.976 1.00 0.00 S \r\n> HETATM 2 S2 LG1 X 1 -2.655 3.978 -0.590 1.00 0.00 S \r\n> HETATM 3 N1 LG1 X 1 -3.575 3.019 1.728 1.00 0.00 N \r\n> HETATM 4 O1 LG1 X 1 -6.596 4.264 0.437 1.00 0.00 O \r\n> HETATM 5 C1 LG1 X 1 -2.241 1.234 2.470 1.00 0.00 C \r\n> HETATM 6 O2 LG1 X 1 -4.218 1.936 3.631 1.00 0.00 O \r\n> HETATM 7 C2 LG1 X 1 -2.664 2.993 0.703 1.00 0.00 C \r\n> HETATM 8 C3 LG1 X 1 -4.700 3.927 1.732 1.00 0.00 C \r\n> HETATM 9 C4 LG1 X 1 1.081 -3.164 4.032 1.00 0.00 C \r\n> HETATM 10 C5 LG1 X 1 -0.724 -1.447 4.441 1.00 0.00 C \r\n> HETATM 11 C6 LG1 X 1 -3.435 2.050 2.717 1.00 0.00 C \r\n> HETATM 12 C7 LG1 X 1 0.267 -2.426 4.878 1.00 0.00 C \r\n> HETATM 13 C8 LG1 X 1 -0.775 -0.620 3.382 1.00 0.00 C \r\n> HETATM 14 C9 LG1 X 1 -5.865 3.349 0.991 1.00 0.00 C \r\n> HETATM 15 C10 LG1 X 1 0.396 -2.653 6.232 1.00 0.00 C \r\n> HETATM 16 C11 LG1 X 1 1.311 -3.549 6.735 1.00 0.00 C \r\n> HETATM 17 O3 LG1 X 1 -6.079 2.157 0.940 1.00 0.00 O \r\n> HETATM 18 C12 LG1 X 1 1.980 -4.068 4.532 1.00 0.00 C \r\n> HETATM 19 C13 LG1 X 1 0.288 -0.541 2.323 1.00 0.00 C \r\n> HETATM 20 C14 LG1 X 1 2.091 -4.272 5.876 1.00 0.00 C \r\n> HETATM 21 C15 LG1 X 1 -1.893 0.277 3.333 1.00 0.00 C \r\n> HETATM 22 H13 LG1 X 1 -7.226 3.928 0.021 1.00 0.00 H \r\n> HETATM 23 H1 LG1 X 1 -4.439 4.764 1.319 1.00 0.00 H \r\n> HETATM 24 H2 LG1 X 1 -4.960 4.111 2.648 1.00 0.00 H \r\n> HETATM 25 H3 LG1 X 1 1.016 -3.042 3.113 1.00 0.00 H \r\n> HETATM 26 H4 LG1 X 1 -1.463 -1.383 5.003 1.00 0.00 H \r\n> HETATM 27 H5 LG1 X 1 -0.151 -2.186 6.822 1.00 0.00 H \r\n> HETATM 28 H6 LG1 X 1 1.400 -3.664 7.653 1.00 0.00 H \r\n> HETATM 29 H7 LG1 X 1 2.522 -4.549 3.948 1.00 0.00 H \r\n> HETATM 30 H8 LG1 X 1 1.101 -0.930 2.656 1.00 0.00 H \r\n> HETATM 31 H9 LG1 X 1 0.444 0.377 2.093 1.00 0.00 H \r\n> HETATM 32 H10 LG1 X 1 -0.001 -1.023 1.545 1.00 0.00 H \r\n> HETATM 33 H11 LG1 X 1 2.694 -4.899 6.204 1.00 0.00 H \r\n> HETATM 34 H12 LG1 X 1 -2.492 0.170 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 36 S1 LG1 A 1 -16.205 -3.584 0.976 1.00 0.00 S \r\n> HETATM 37 S2 LG1 A 1 -17.374 -1.359 -0.590 1.00 0.00 S \r\n> HETATM 38 N1 LG1 A 1 -18.294 -2.318 1.728 1.00 0.00 N \r\n> HETATM 39 O1 LG1 A 1 -21.316 -1.073 0.437 1.00 0.00 O \r\n> HETATM 40 C1 LG1 A 1 -16.961 -4.103 2.470 1.00 0.00 C \r\n> HETATM 41 O2 LG1 A 1 -18.938 -3.401 3.631 1.00 0.00 O \r\n> HETATM 42 C2 LG1 A 1 -17.383 -2.344 0.703 1.00 0.00 C \r\n> HETATM 43 C3 LG1 A 1 -19.420 -1.411 1.732 1.00 0.00 C \r\n> HETATM 44 C4 LG1 A 1 -13.638 -8.501 4.032 1.00 0.00 C \r\n> HETATM 45 C5 LG1 A 1 -15.444 -6.785 4.441 1.00 0.00 C \r\n> HETATM 46 C6 LG1 A 1 -18.155 -3.288 2.717 1.00 0.00 C \r\n> HETATM 47 C7 LG1 A 1 -14.453 -7.764 4.878 1.00 0.00 C \r\n> HETATM 48 C8 LG1 A 1 -15.494 -5.957 3.382 1.00 0.00 C \r\n> HETATM 49 C9 LG1 A 1 -20.584 -1.989 0.991 1.00 0.00 C \r\n> HETATM 50 C10 LG1 A 1 -14.323 -7.990 6.232 1.00 0.00 C \r\n> HETATM 51 C11 LG1 A 1 -13.408 -8.887 6.735 1.00 0.00 C \r\n> HETATM 52 O3 LG1 A 1 -20.798 -3.180 0.940 1.00 0.00 O \r\n> HETATM 53 C12 LG1 A 1 -12.739 -9.406 4.532 1.00 0.00 C \r\n> HETATM 54 C13 LG1 A 1 -14.431 -5.879 2.323 1.00 0.00 C \r\n> HETATM 55 C14 LG1 A 1 -12.629 -9.610 5.876 1.00 0.00 C \r\n> HETATM 56 C15 LG1 A 1 -16.613 -5.061 3.333 1.00 0.00 C \r\n> HETATM 57 H13 LG1 A 1 -21.946 -1.410 0.021 1.00 0.00 H \r\n> HETATM 58 H1 LG1 A 1 -19.159 -0.573 1.319 1.00 0.00 H \r\n> HETATM 59 H2 LG1 A 1 -19.680 -1.226 2.648 1.00 0.00 H \r\n> HETATM 60 H3 LG1 A 1 -13.704 -8.380 3.113 1.00 0.00 H \r\n> HETATM 61 H4 LG1 A 1 -16.182 -6.721 5.003 1.00 0.00 H \r\n> HETATM 62 H5 LG1 A 1 -14.870 -7.524 6.822 1.00 0.00 H \r\n> HETATM 63 H6 LG1 A 1 -13.320 -9.001 7.653 1.00 0.00 H \r\n> HETATM 64 H7 LG1 A 1 -12.198 -9.886 3.948 1.00 0.00 H \r\n> HETATM 65 H8 LG1 A 1 -13.618 -6.268 2.656 1.00 0.00 H \r\n> HETATM 66 H9 LG1 A 1 -14.276 -4.960 2.093 1.00 0.00 H \r\n> HETATM 67 H10 LG1 A 1 -14.721 -6.361 1.545 1.00 0.00 H \r\n> HETATM 68 H11 LG1 A 1 -12.026 -10.237 6.204 1.00 0.00 H \r\n> HETATM 69 H12 LG1 A 1 -17.211 -5.167 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 71 S1 LG1 B 1 -16.205 1.754 0.976 1.00 0.00 S \r\n> HETATM 72 S2 LG1 B 1 -17.374 3.978 -0.590 1.00 0.00 S \r\n> HETATM 73 N1 LG1 B 1 -18.294 3.019 1.728 1.00 0.00 N \r\n> HETATM 74 O1 LG1 B 1 -21.316 4.264 0.437 1.00 0.00 O \r\n> HETATM 75 C1 LG1 B 1 -16.961 1.234 2.470 1.00 0.00 C \r\n> HETATM 76 O2 LG1 B 1 -18.938 1.936 3.631 1.00 0.00 O \r\n> HETATM 77 C2 LG1 B 1 -17.383 2.993 0.703 1.00 0.00 C \r\n> HETATM 78 C3 LG1 B 1 -19.420 3.927 1.732 1.00 0.00 C \r\n> HETATM 79 C4 LG1 B 1 -13.638 -3.164 4.032 1.00 0.00 C \r\n> HETATM 80 C5 LG1 B 1 -15.444 -1.447 4.441 1.00 0.00 C \r\n> HETATM 81 C6 LG1 B 1 -18.155 2.050 2.717 1.00 0.00 C \r\n> HETATM 82 C7 LG1 B 1 -14.453 -2.426 4.878 1.00 0.00 C \r\n> HETATM 83 C8 LG1 B 1 -15.494 -0.620 3.382 1.00 0.00 C \r\n> HETATM 84 C9 LG1 B 1 -20.584 3.349 0.991 1.00 0.00 C \r\n> HETATM 85 C10 LG1 B 1 -14.323 -2.653 6.232 1.00 0.00 C \r\n> HETATM 86 C11 LG1 B 1 -13.408 -3.549 6.735 1.00 0.00 C \r\n> HETATM 87 O3 LG1 B 1 -20.798 2.157 0.940 1.00 0.00 O \r\n> HETATM 88 C12 LG1 B 1 -12.739 -4.068 4.532 1.00 0.00 C \r\n> HETATM 89 C13 LG1 B 1 -14.431 -0.541 2.323 1.00 0.00 C \r\n> HETATM 90 C14 LG1 B 1 -12.629 -4.272 5.876 1.00 0.00 C \r\n> HETATM 91 C15 LG1 B 1 -16.613 0.277 3.333 1.00 0.00 C \r\n> HETATM 92 H13 LG1 B 1 -21.946 3.928 0.021 1.00 0.00 H \r\n> HETATM 93 H1 LG1 B 1 -19.159 4.764 1.319 1.00 0.00 H \r\n> HETATM 94 H2 LG1 B 1 -19.680 4.111 2.648 1.00 0.00 H \r\n> HETATM 95 H3 LG1 B 1 -13.704 -3.042 3.113 1.00 0.00 H \r\n> HETATM 96 H4 LG1 B 1 -16.182 -1.383 5.003 1.00 0.00 H \r\n> HETATM 97 H5 LG1 B 1 -14.870 -2.186 6.822 1.00 0.00 H \r\n> HETATM 98 H6 LG1 B 1 -13.320 -3.664 7.653 1.00 0.00 H \r\n> HETATM 99 H7 LG1 B 1 -12.198 -4.549 3.948 1.00 0.00 H \r\n> HETATM 100 H8 LG1 B 1 -13.618 -0.930 2.656 1.00 0.00 H \r\n> HETATM 101 H9 LG1 B 1 -14.276 0.377 2.093 1.00 0.00 H \r\n> HETATM 102 H10 LG1 B 1 -14.721 -1.023 1.545 1.00 0.00 H \r\n> HETATM 103 H11 LG1 B 1 -12.026 -4.899 6.204 1.00 0.00 H \r\n> HETATM 104 H12 LG1 B 1 -17.211 0.170 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 106 S1 LG1 C 1 -13.868 7.091 -16.509 1.00 0.00 S \r\n> HETATM 107 S2 LG1 C 1 -15.037 9.315 -18.076 1.00 0.00 S \r\n> HETATM 108 N1 LG1 C 1 -15.957 8.357 -15.757 1.00 0.00 N \r\n> HETATM 109 O1 LG1 C 1 -18.979 9.602 -17.048 1.00 0.00 O \r\n> HETATM 110 C1 LG1 C 1 -14.624 6.572 -15.016 1.00 0.00 C \r\n> HETATM 111 O2 LG1 C 1 -16.601 7.274 -13.855 1.00 0.00 O \r\n> HETATM 112 C2 LG1 C 1 -15.046 8.331 -16.782 1.00 0.00 C \r\n> HETATM 113 C3 LG1 C 1 -17.083 9.264 -15.753 1.00 0.00 C \r\n> HETATM 114 C4 LG1 C 1 -11.301 2.174 -13.454 1.00 0.00 C \r\n> HETATM 115 C5 LG1 C 1 -13.107 3.890 -13.044 1.00 0.00 C \r\n> HETATM 116 C6 LG1 C 1 -15.818 7.387 -14.768 1.00 0.00 C \r\n> HETATM 117 C7 LG1 C 1 -12.116 2.911 -12.607 1.00 0.00 C \r\n> HETATM 118 C8 LG1 C 1 -13.157 4.718 -14.104 1.00 0.00 C \r\n> HETATM 119 C9 LG1 C 1 -18.247 8.686 -16.494 1.00 0.00 C \r\n> HETATM 120 C10 LG1 C 1 -11.986 2.685 -11.254 1.00 0.00 C \r\n> HETATM 121 C11 LG1 C 1 -11.071 1.788 -10.750 1.00 0.00 C \r\n> HETATM 122 O3 LG1 C 1 -18.461 7.495 -16.546 1.00 0.00 O \r\n> HETATM 123 C12 LG1 C 1 -10.402 1.269 -12.953 1.00 0.00 C \r\n> HETATM 124 C13 LG1 C 1 -12.094 4.796 -15.162 1.00 0.00 C \r\n> HETATM 125 C14 LG1 C 1 -10.292 1.065 -11.610 1.00 0.00 C \r\n> HETATM 126 C15 LG1 C 1 -14.276 5.614 -14.152 1.00 0.00 C \r\n> HETATM 127 H13 LG1 C 1 -19.609 9.265 -17.464 1.00 0.00 H \r\n> HETATM 128 H1 LG1 C 1 -16.822 10.102 -16.167 1.00 0.00 H \r\n> HETATM 129 H2 LG1 C 1 -17.343 9.449 -14.838 1.00 0.00 H \r\n> HETATM 130 H3 LG1 C 1 -11.367 2.295 -14.372 1.00 0.00 H \r\n> HETATM 131 H4 LG1 C 1 -13.845 3.954 -12.482 1.00 0.00 H \r\n> HETATM 132 H5 LG1 C 1 -12.533 3.151 -10.663 1.00 0.00 H \r\n> HETATM 133 H6 LG1 C 1 -10.983 1.674 -9.832 1.00 0.00 H \r\n> HETATM 134 H7 LG1 C 1 -9.861 0.789 -13.537 1.00 0.00 H \r\n> HETATM 135 H8 LG1 C 1 -11.281 4.407 -14.829 1.00 0.00 H \r\n> HETATM 136 H9 LG1 C 1 -11.939 5.715 -15.393 1.00 0.00 H \r\n> HETATM 137 H10 LG1 C 1 -12.384 4.314 -15.941 1.00 0.00 H \r\n> HETATM 138 H11 LG1 C 1 -9.689 0.438 -11.281 1.00 0.00 H \r\n> HETATM 139 H12 LG1 C 1 -14.874 5.508 -13.448 1.00 0.00 H \r\n> TER \r\n> HETATM 141 S1 LG1 D 1 -16.205 7.091 0.976 1.00 0.00 S \r\n> HETATM 142 S2 LG1 D 1 -17.374 9.315 -0.590 1.00 0.00 S \r\n> HETATM 143 N1 LG1 D 1 -18.294 8.357 1.728 1.00 0.00 N \r\n> HETATM 144 O1 LG1 D 1 -21.316 9.602 0.437 1.00 0.00 O \r\n> HETATM 145 C1 LG1 D 1 -16.961 6.572 2.470 1.00 0.00 C \r\n> HETATM 146 O2 LG1 D 1 -18.938 7.274 3.631 1.00 0.00 O \r\n> HETATM 147 C2 LG1 D 1 -17.383 8.331 0.703 1.00 0.00 C \r\n> HETATM 148 C3 LG1 D 1 -19.420 9.264 1.732 1.00 0.00 C \r\n> HETATM 149 C4 LG1 D 1 -13.638 2.174 4.032 1.00 0.00 C \r\n> HETATM 150 C5 LG1 D 1 -15.444 3.890 4.441 1.00 0.00 C \r\n> HETATM 151 C6 LG1 D 1 -18.155 7.387 2.717 1.00 0.00 C \r\n> HETATM 152 C7 LG1 D 1 -14.453 2.911 4.878 1.00 0.00 C \r\n> HETATM 153 C8 LG1 D 1 -15.494 4.718 3.382 1.00 0.00 C \r\n> HETATM 154 C9 LG1 D 1 -20.584 8.686 0.991 1.00 0.00 C \r\n> HETATM 155 C10 LG1 D 1 -14.323 2.685 6.232 1.00 0.00 C \r\n> HETATM 156 C11 LG1 D 1 -13.408 1.788 6.735 1.00 0.00 C \r\n> HETATM 157 O3 LG1 D 1 -20.798 7.495 0.940 1.00 0.00 O \r\n> HETATM 158 C12 LG1 D 1 -12.739 1.269 4.532 1.00 0.00 C \r\n> HETATM 159 C13 LG1 D 1 -14.431 4.796 2.323 1.00 0.00 C \r\n> HETATM 160 C14 LG1 D 1 -12.629 1.065 5.876 1.00 0.00 C \r\n> HETATM 161 C15 LG1 D 1 -16.613 5.614 3.333 1.00 0.00 C \r\n> HETATM 162 H13 LG1 D 1 -21.946 9.265 0.021 1.00 0.00 H \r\n> HETATM 163 H1 LG1 D 1 -19.159 10.102 1.319 1.00 0.00 H \r\n> HETATM 164 H2 LG1 D 1 -19.680 9.449 2.648 1.00 0.00 H \r\n> HETATM 165 H3 LG1 D 1 -13.704 2.295 3.113 1.00 0.00 H \r\n> HETATM 166 H4 LG1 D 1 -16.182 3.954 5.003 1.00 0.00 H \r\n> HETATM 167 H5 LG1 D 1 -14.870 3.151 6.822 1.00 0.00 H \r\n> HETATM 168 H6 LG1 D 1 -13.320 1.674 7.653 1.00 0.00 H \r\n> HETATM 169 H7 LG1 D 1 -12.198 0.789 3.948 1.00 0.00 H \r\n> HETATM 170 H8 LG1 D 1 -13.618 4.407 2.656 1.00 0.00 H \r\n> HETATM 171 H9 LG1 D 1 -14.276 5.715 2.093 1.00 0.00 H \r\n> HETATM 172 H10 LG1 D 1 -14.721 4.314 1.545 1.00 0.00 H \r\n> HETATM 173 H11 LG1 D 1 -12.026 0.438 6.204 1.00 0.00 H \r\n> HETATM 174 H12 LG1 D 1 -17.211 5.508 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 176 S1 LG1 E 1 -16.205 12.429 0.976 1.00 0.00 S \r\n> HETATM 177 S2 LG1 E 1 -17.374 14.653 -0.590 1.00 0.00 S \r\n> HETATM 178 N1 LG1 E 1 -18.294 13.694 1.728 1.00 0.00 N \r\n> HETATM 179 O1 LG1 E 1 -21.316 14.939 0.437 1.00 0.00 O \r\n> HETATM 180 C1 LG1 E 1 -16.961 11.909 2.470 1.00 0.00 C \r\n> HETATM 181 O2 LG1 E 1 -18.938 12.611 3.631 1.00 0.00 O \r\n> HETATM 182 C2 LG1 E 1 -17.383 13.668 0.703 1.00 0.00 C \r\n> HETATM 183 C3 LG1 E 1 -19.420 14.602 1.732 1.00 0.00 C \r\n> HETATM 184 C4 LG1 E 1 -13.638 7.511 4.032 1.00 0.00 C \r\n> HETATM 185 C5 LG1 E 1 -15.444 9.228 4.441 1.00 0.00 C \r\n> HETATM 186 C6 LG1 E 1 -18.155 12.725 2.717 1.00 0.00 C \r\n> HETATM 187 C7 LG1 E 1 -14.453 8.249 4.878 1.00 0.00 C \r\n> HETATM 188 C8 LG1 E 1 -15.494 10.055 3.382 1.00 0.00 C \r\n> HETATM 189 C9 LG1 E 1 -20.584 14.023 0.991 1.00 0.00 C \r\n> HETATM 190 C10 LG1 E 1 -14.323 8.022 6.232 1.00 0.00 C \r\n> HETATM 191 C11 LG1 E 1 -13.408 7.126 6.735 1.00 0.00 C \r\n> HETATM 192 O3 LG1 E 1 -20.798 12.832 0.940 1.00 0.00 O \r\n> HETATM 193 C12 LG1 E 1 -12.739 6.607 4.532 1.00 0.00 C \r\n> HETATM 194 C13 LG1 E 1 -14.431 10.134 2.323 1.00 0.00 C \r\n> HETATM 195 C14 LG1 E 1 -12.629 6.403 5.876 1.00 0.00 C \r\n> HETATM 196 C15 LG1 E 1 -16.613 10.952 3.333 1.00 0.00 C \r\n> HETATM 197 H13 LG1 E 1 -21.946 14.603 0.021 1.00 0.00 H \r\n> HETATM 198 H1 LG1 E 1 -19.159 15.439 1.319 1.00 0.00 H \r\n> HETATM 199 H2 LG1 E 1 -19.680 14.786 2.648 1.00 0.00 H \r\n> HETATM 200 H3 LG1 E 1 -13.704 7.633 3.113 1.00 0.00 H \r\n> HETATM 201 H4 LG1 E 1 -16.182 9.292 5.003 1.00 0.00 H \r\n> HETATM 202 H5 LG1 E 1 -14.870 8.488 6.822 1.00 0.00 H \r\n> HETATM 203 H6 LG1 E 1 -13.320 7.011 7.653 1.00 0.00 H \r\n> HETATM 204 H7 LG1 E 1 -12.198 6.126 3.948 1.00 0.00 H \r\n> HETATM 205 H8 LG1 E 1 -13.618 9.745 2.656 1.00 0.00 H \r\n> HETATM 206 H9 LG1 E 1 -14.276 11.052 2.093 1.00 0.00 H \r\n> HETATM 207 H10 LG1 E 1 -14.721 9.652 1.545 1.00 0.00 H \r\n> HETATM 208 H11 LG1 E 1 -12.026 5.776 6.204 1.00 0.00 H \r\n> HETATM 209 H12 LG1 E 1 -17.211 10.845 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 211 S1 LG1 F 1 -1.486 -8.921 0.976 1.00 0.00 S \r\n> HETATM 212 S2 LG1 F 1 -2.655 -6.697 -0.590 1.00 0.00 S \r\n> HETATM 213 N1 LG1 F 1 -3.575 -7.656 1.728 1.00 0.00 N \r\n> HETATM 214 O1 LG1 F 1 -6.596 -6.411 0.437 1.00 0.00 O \r\n> HETATM 215 C1 LG1 F 1 -2.241 -9.440 2.470 1.00 0.00 C \r\n> HETATM 216 O2 LG1 F 1 -4.218 -8.739 3.631 1.00 0.00 O \r\n> HETATM 217 C2 LG1 F 1 -2.664 -7.682 0.703 1.00 0.00 C \r\n> HETATM 218 C3 LG1 F 1 -4.700 -6.748 1.732 1.00 0.00 C \r\n> HETATM 219 C4 LG1 F 1 1.081 -13.839 4.032 1.00 0.00 C \r\n> HETATM 220 C5 LG1 F 1 -0.724 -12.122 4.441 1.00 0.00 C \r\n> HETATM 221 C6 LG1 F 1 -3.435 -8.625 2.717 1.00 0.00 C \r\n> HETATM 222 C7 LG1 F 1 0.267 -13.101 4.878 1.00 0.00 C \r\n> HETATM 223 C8 LG1 F 1 -0.775 -11.295 3.382 1.00 0.00 C \r\n> HETATM 224 C9 LG1 F 1 -5.865 -7.326 0.991 1.00 0.00 C \r\n> HETATM 225 C10 LG1 F 1 0.396 -13.328 6.232 1.00 0.00 C \r\n> HETATM 226 C11 LG1 F 1 1.311 -14.224 6.735 1.00 0.00 C \r\n> HETATM 227 O3 LG1 F 1 -6.079 -8.518 0.940 1.00 0.00 O \r\n> HETATM 228 C12 LG1 F 1 1.980 -14.743 4.532 1.00 0.00 C \r\n> HETATM 229 C13 LG1 F 1 0.288 -11.216 2.323 1.00 0.00 C \r\n> HETATM 230 C14 LG1 F 1 2.091 -14.947 5.876 1.00 0.00 C \r\n> HETATM 231 C15 LG1 F 1 -1.893 -10.398 3.333 1.00 0.00 C \r\n> HETATM 232 H13 LG1 F 1 -7.226 -6.747 0.021 1.00 0.00 H \r\n> HETATM 233 H1 LG1 F 1 -4.439 -5.911 1.319 1.00 0.00 H \r\n> HETATM 234 H2 LG1 F 1 -4.960 -6.564 2.648 1.00 0.00 H \r\n> HETATM 235 H3 LG1 F 1 1.016 -13.717 3.113 1.00 0.00 H \r\n> HETATM 236 H4 LG1 F 1 -1.463 -12.058 5.003 1.00 0.00 H \r\n> HETATM 237 H5 LG1 F 1 -0.151 -12.861 6.822 1.00 0.00 H \r\n> HETATM 238 H6 LG1 F 1 1.400 -14.339 7.653 1.00 0.00 H \r\n> HETATM 239 H7 LG1 F 1 2.522 -15.224 3.948 1.00 0.00 H \r\n> HETATM 240 H8 LG1 F 1 1.101 -11.605 2.656 1.00 0.00 H \r\n> HETATM 241 H9 LG1 F 1 0.444 -10.298 2.093 1.00 0.00 H \r\n> HETATM 242 H10 LG1 F 1 -0.001 -11.698 1.545 1.00 0.00 H \r\n> HETATM 243 H11 LG1 F 1 2.694 -15.574 6.204 1.00 0.00 H \r\n> HETATM 244 H12 LG1 F 1 -2.492 -10.505 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 246 S1 LG1 G 1 0.851 -3.584 -16.509 1.00 0.00 S \r\n> HETATM 247 S2 LG1 G 1 -0.318 -1.359 -18.076 1.00 0.00 S \r\n> HETATM 248 N1 LG1 G 1 -1.238 -2.318 -15.757 1.00 0.00 N \r\n> HETATM 249 O1 LG1 G 1 -4.259 -1.073 -17.048 1.00 0.00 O \r\n> HETATM 250 C1 LG1 G 1 0.096 -4.103 -15.016 1.00 0.00 C \r\n> HETATM 251 O2 LG1 G 1 -1.881 -3.401 -13.855 1.00 0.00 O \r\n> HETATM 252 C2 LG1 G 1 -0.327 -2.344 -16.782 1.00 0.00 C \r\n> HETATM 253 C3 LG1 G 1 -2.363 -1.411 -15.753 1.00 0.00 C \r\n> HETATM 254 C4 LG1 G 1 3.418 -8.501 -13.454 1.00 0.00 C \r\n> HETATM 255 C5 LG1 G 1 1.613 -6.785 -13.044 1.00 0.00 C \r\n> HETATM 256 C6 LG1 G 1 -1.098 -3.288 -14.768 1.00 0.00 C \r\n> HETATM 257 C7 LG1 G 1 2.604 -7.764 -12.607 1.00 0.00 C \r\n> HETATM 258 C8 LG1 G 1 1.562 -5.957 -14.104 1.00 0.00 C \r\n> HETATM 259 C9 LG1 G 1 -3.528 -1.989 -16.494 1.00 0.00 C \r\n> HETATM 260 C10 LG1 G 1 2.733 -7.990 -11.254 1.00 0.00 C \r\n> HETATM 261 C11 LG1 G 1 3.648 -8.887 -10.750 1.00 0.00 C \r\n> HETATM 262 O3 LG1 G 1 -3.742 -3.180 -16.546 1.00 0.00 O \r\n> HETATM 263 C12 LG1 G 1 4.317 -9.406 -12.953 1.00 0.00 C \r\n> HETATM 264 C13 LG1 G 1 2.625 -5.879 -15.162 1.00 0.00 C \r\n> HETATM 265 C14 LG1 G 1 4.428 -9.610 -11.610 1.00 0.00 C \r\n> HETATM 266 C15 LG1 G 1 0.444 -5.061 -14.152 1.00 0.00 C \r\n> HETATM 267 H13 LG1 G 1 -4.889 -1.410 -17.464 1.00 0.00 H \r\n> HETATM 268 H1 LG1 G 1 -2.102 -0.573 -16.167 1.00 0.00 H \r\n> HETATM 269 H2 LG1 G 1 -2.623 -1.226 -14.838 1.00 0.00 H \r\n> HETATM 270 H3 LG1 G 1 3.353 -8.380 -14.372 1.00 0.00 H \r\n> HETATM 271 H4 LG1 G 1 0.874 -6.721 -12.482 1.00 0.00 H \r\n> HETATM 272 H5 LG1 G 1 2.186 -7.524 -10.663 1.00 0.00 H \r\n> HETATM 273 H6 LG1 G 1 3.737 -9.001 -9.832 1.00 0.00 H \r\n> HETATM 274 H7 LG1 G 1 4.859 -9.886 -13.537 1.00 0.00 H \r\n> HETATM 275 H8 LG1 G 1 3.438 -6.268 -14.829 1.00 0.00 H \r\n> HETATM 276 H9 LG1 G 1 2.781 -4.960 -15.393 1.00 0.00 H \r\n> HETATM 277 H10 LG1 G 1 2.336 -6.361 -15.941 1.00 0.00 H \r\n> HETATM 278 H11 LG1 G 1 5.031 -10.237 -11.281 1.00 0.00 H \r\n> HETATM 279 H12 LG1 G 1 -0.155 -5.167 -13.448 1.00 0.00 H \r\n> TER \r\n> HETATM 281 S1 LG1 H 1 -1.486 -3.584 0.976 1.00 0.00 S \r\n> HETATM 282 S2 LG1 H 1 -2.655 -1.359 -0.590 1.00 0.00 S \r\n> HETATM 283 N1 LG1 H 1 -3.575 -2.318 1.728 1.00 0.00 N \r\n> HETATM 284 O1 LG1 H 1 -6.596 -1.073 0.437 1.00 0.00 O \r\n> HETATM 285 C1 LG1 H 1 -2.241 -4.103 2.470 1.00 0.00 C \r\n> HETATM 286 O2 LG1 H 1 -4.218 -3.401 3.631 1.00 0.00 O \r\n> HETATM 287 C2 LG1 H 1 -2.664 -2.344 0.703 1.00 0.00 C \r\n> HETATM 288 C3 LG1 H 1 -4.700 -1.411 1.732 1.00 0.00 C \r\n> HETATM 289 C4 LG1 H 1 1.081 -8.501 4.032 1.00 0.00 C \r\n> HETATM 290 C5 LG1 H 1 -0.724 -6.785 4.441 1.00 0.00 C \r\n> HETATM 291 C6 LG1 H 1 -3.435 -3.288 2.717 1.00 0.00 C \r\n> HETATM 292 C7 LG1 H 1 0.267 -7.764 4.878 1.00 0.00 C \r\n> HETATM 293 C8 LG1 H 1 -0.775 -5.957 3.382 1.00 0.00 C \r\n> HETATM 294 C9 LG1 H 1 -5.865 -1.989 0.991 1.00 0.00 C \r\n> HETATM 295 C10 LG1 H 1 0.396 -7.990 6.232 1.00 0.00 C \r\n> HETATM 296 C11 LG1 H 1 1.311 -8.887 6.735 1.00 0.00 C \r\n> HETATM 297 O3 LG1 H 1 -6.079 -3.180 0.940 1.00 0.00 O \r\n> HETATM 298 C12 LG1 H 1 1.980 -9.406 4.532 1.00 0.00 C \r\n> HETATM 299 C13 LG1 H 1 0.288 -5.879 2.323 1.00 0.00 C \r\n> HETATM 300 C14 LG1 H 1 2.091 -9.610 5.876 1.00 0.00 C \r\n> HETATM 301 C15 LG1 H 1 -1.893 -5.061 3.333 1.00 0.00 C \r\n> HETATM 302 H13 LG1 H 1 -7.226 -1.410 0.021 1.00 0.00 H \r\n> HETATM 303 H1 LG1 H 1 -4.439 -0.573 1.319 1.00 0.00 H \r\n> HETATM 304 H2 LG1 H 1 -4.960 -1.226 2.648 1.00 0.00 H \r\n> HETATM 305 H3 LG1 H 1 1.016 -8.380 3.113 1.00 0.00 H \r\n> HETATM 306 H4 LG1 H 1 -1.463 -6.721 5.003 1.00 0.00 H \r\n> HETATM 307 H5 LG1 H 1 -0.151 -7.524 6.822 1.00 0.00 H \r\n> HETATM 308 H6 LG1 H 1 1.400 -9.001 7.653 1.00 0.00 H \r\n> HETATM 309 H7 LG1 H 1 2.522 -9.886 3.948 1.00 0.00 H \r\n> HETATM 310 H8 LG1 H 1 1.101 -6.268 2.656 1.00 0.00 H \r\n> HETATM 311 H9 LG1 H 1 0.444 -4.960 2.093 1.00 0.00 H \r\n> HETATM 312 H10 LG1 H 1 -0.001 -6.361 1.545 1.00 0.00 H \r\n> HETATM 313 H11 LG1 H 1 2.694 -10.237 6.204 1.00 0.00 H \r\n> HETATM 314 H12 LG1 H 1 -2.492 -5.167 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 316 S1 LG1 I 1 0.851 1.754 -16.509 1.00 0.00 S \r\n> HETATM 317 S2 LG1 I 1 -0.318 3.978 -18.076 1.00 0.00 S \r\n> HETATM 318 N1 LG1 I 1 -1.238 3.019 -15.757 1.00 0.00 N \r\n> HETATM 319 O1 LG1 I 1 -4.259 4.264 -17.048 1.00 0.00 O \r\n> HETATM 320 C1 LG1 I 1 0.096 1.234 -15.016 1.00 0.00 C \r\n> HETATM 321 O2 LG1 I 1 -1.881 1.936 -13.855 1.00 0.00 O \r\n> HETATM 322 C2 LG1 I 1 -0.327 2.993 -16.782 1.00 0.00 C \r\n> HETATM 323 C3 LG1 I 1 -2.363 3.927 -15.753 1.00 0.00 C \r\n> HETATM 324 C4 LG1 I 1 3.418 -3.164 -13.454 1.00 0.00 C \r\n> HETATM 325 C5 LG1 I 1 1.613 -1.447 -13.044 1.00 0.00 C \r\n> HETATM 326 C6 LG1 I 1 -1.098 2.050 -14.768 1.00 0.00 C \r\n> HETATM 327 C7 LG1 I 1 2.604 -2.426 -12.607 1.00 0.00 C \r\n> HETATM 328 C8 LG1 I 1 1.562 -0.620 -14.104 1.00 0.00 C \r\n> HETATM 329 C9 LG1 I 1 -3.528 3.349 -16.494 1.00 0.00 C \r\n> HETATM 330 C10 LG1 I 1 2.733 -2.653 -11.254 1.00 0.00 C \r\n> HETATM 331 C11 LG1 I 1 3.648 -3.549 -10.750 1.00 0.00 C \r\n> HETATM 332 O3 LG1 I 1 -3.742 2.157 -16.546 1.00 0.00 O \r\n> HETATM 333 C12 LG1 I 1 4.317 -4.068 -12.953 1.00 0.00 C \r\n> HETATM 334 C13 LG1 I 1 2.625 -0.541 -15.162 1.00 0.00 C \r\n> HETATM 335 C14 LG1 I 1 4.428 -4.272 -11.610 1.00 0.00 C \r\n> HETATM 336 C15 LG1 I 1 0.444 0.277 -14.152 1.00 0.00 C \r\n> HETATM 337 H13 LG1 I 1 -4.889 3.928 -17.464 1.00 0.00 H \r\n> HETATM 338 H1 LG1 I 1 -2.102 4.764 -16.167 1.00 0.00 H \r\n> HETATM 339 H2 LG1 I 1 -2.623 4.111 -14.838 1.00 0.00 H \r\n> HETATM 340 H3 LG1 I 1 3.353 -3.042 -14.372 1.00 0.00 H \r\n> HETATM 341 H4 LG1 I 1 0.874 -1.383 -12.482 1.00 0.00 H \r\n> HETATM 342 H5 LG1 I 1 2.186 -2.186 -10.663 1.00 0.00 H \r\n> HETATM 343 H6 LG1 I 1 3.737 -3.664 -9.832 1.00 0.00 H \r\n> HETATM 344 H7 LG1 I 1 4.859 -4.549 -13.537 1.00 0.00 H \r\n> HETATM 345 H8 LG1 I 1 3.438 -0.930 -14.829 1.00 0.00 H \r\n> HETATM 346 H9 LG1 I 1 2.781 0.377 -15.393 1.00 0.00 H \r\n> HETATM 347 H10 LG1 I 1 2.336 -1.023 -15.941 1.00 0.00 H \r\n> HETATM 348 H11 LG1 I 1 5.031 -4.899 -11.281 1.00 0.00 H \r\n> HETATM 349 H12 LG1 I 1 -0.155 0.170 -13.448 1.00 0.00 H \r\n> TER \r\n> HETATM 351 S1 LG1 J 1 0.851 7.091 -16.509 1.00 0.00 S \r\n> HETATM 352 S2 LG1 J 1 -0.318 9.315 -18.076 1.00 0.00 S \r\n> HETATM 353 N1 LG1 J 1 -1.238 8.357 -15.757 1.00 0.00 N \r\n> HETATM 354 O1 LG1 J 1 -4.259 9.602 -17.048 1.00 0.00 O \r\n> HETATM 355 C1 LG1 J 1 0.096 6.572 -15.016 1.00 0.00 C \r\n> HETATM 356 O2 LG1 J 1 -1.881 7.274 -13.855 1.00 0.00 O \r\n> HETATM 357 C2 LG1 J 1 -0.327 8.331 -16.782 1.00 0.00 C \r\n> HETATM 358 C3 LG1 J 1 -2.363 9.264 -15.753 1.00 0.00 C \r\n> HETATM 359 C4 LG1 J 1 3.418 2.174 -13.454 1.00 0.00 C \r\n> HETATM 360 C5 LG1 J 1 1.613 3.890 -13.044 1.00 0.00 C \r\n> HETATM 361 C6 LG1 J 1 -1.098 7.387 -14.768 1.00 0.00 C \r\n> HETATM 362 C7 LG1 J 1 2.604 2.911 -12.607 1.00 0.00 C \r\n> HETATM 363 C8 LG1 J 1 1.562 4.718 -14.104 1.00 0.00 C \r\n> HETATM 364 C9 LG1 J 1 -3.528 8.686 -16.494 1.00 0.00 C \r\n> HETATM 365 C10 LG1 J 1 2.733 2.685 -11.254 1.00 0.00 C \r\n> HETATM 366 C11 LG1 J 1 3.648 1.788 -10.750 1.00 0.00 C \r\n> HETATM 367 O3 LG1 J 1 -3.742 7.495 -16.546 1.00 0.00 O \r\n> HETATM 368 C12 LG1 J 1 4.317 1.269 -12.953 1.00 0.00 C \r\n> HETATM 369 C13 LG1 J 1 2.625 4.796 -15.162 1.00 0.00 C \r\n> HETATM 370 C14 LG1 J 1 4.428 1.065 -11.610 1.00 0.00 C \r\n> HETATM 371 C15 LG1 J 1 0.444 5.614 -14.152 1.00 0.00 C \r\n> HETATM 372 H13 LG1 J 1 -4.889 9.265 -17.464 1.00 0.00 H \r\n> HETATM 373 H1 LG1 J 1 -2.102 10.102 -16.167 1.00 0.00 H \r\n> HETATM 374 H2 LG1 J 1 -2.623 9.449 -14.838 1.00 0.00 H \r\n> HETATM 375 H3 LG1 J 1 3.353 2.295 -14.372 1.00 0.00 H \r\n> HETATM 376 H4 LG1 J 1 0.874 3.954 -12.482 1.00 0.00 H \r\n> HETATM 377 H5 LG1 J 1 2.186 3.151 -10.663 1.00 0.00 H \r\n> HETATM 378 H6 LG1 J 1 3.737 1.674 -9.832 1.00 0.00 H \r\n> HETATM 379 H7 LG1 J 1 4.859 0.789 -13.537 1.00 0.00 H \r\n> HETATM 380 H8 LG1 J 1 3.438 4.407 -14.829 1.00 0.00 H \r\n> HETATM 381 H9 LG1 J 1 2.781 5.715 -15.393 1.00 0.00 H \r\n> HETATM 382 H10 LG1 J 1 2.336 4.314 -15.941 1.00 0.00 H \r\n> HETATM 383 H11 LG1 J 1 5.031 0.438 -11.281 1.00 0.00 H \r\n> HETATM 384 H12 LG1 J 1 -0.155 5.508 -13.448 1.00 0.00 H \r\n> TER \r\n> HETATM 386 S1 LG1 K 1 -1.486 7.091 0.976 1.00 0.00 S \r\n> HETATM 387 S2 LG1 K 1 -2.655 9.315 -0.590 1.00 0.00 S \r\n> HETATM 388 N1 LG1 K 1 -3.575 8.357 1.728 1.00 0.00 N \r\n> HETATM 389 O1 LG1 K 1 -6.596 9.602 0.437 1.00 0.00 O \r\n> HETATM 390 C1 LG1 K 1 -2.241 6.572 2.470 1.00 0.00 C \r\n> HETATM 391 O2 LG1 K 1 -4.218 7.274 3.631 1.00 0.00 O \r\n> HETATM 392 C2 LG1 K 1 -2.664 8.331 0.703 1.00 0.00 C \r\n> HETATM 393 C3 LG1 K 1 -4.700 9.264 1.732 1.00 0.00 C \r\n> HETATM 394 C4 LG1 K 1 1.081 2.174 4.032 1.00 0.00 C \r\n> HETATM 395 C5 LG1 K 1 -0.724 3.890 4.441 1.00 0.00 C \r\n> HETATM 396 C6 LG1 K 1 -3.435 7.387 2.717 1.00 0.00 C \r\n> HETATM 397 C7 LG1 K 1 0.267 2.911 4.878 1.00 0.00 C \r\n> HETATM 398 C8 LG1 K 1 -0.775 4.718 3.382 1.00 0.00 C \r\n> HETATM 399 C9 LG1 K 1 -5.865 8.686 0.991 1.00 0.00 C \r\n> HETATM 400 C10 LG1 K 1 0.396 2.685 6.232 1.00 0.00 C \r\n> HETATM 401 C11 LG1 K 1 1.311 1.788 6.735 1.00 0.00 C \r\n> HETATM 402 O3 LG1 K 1 -6.079 7.495 0.940 1.00 0.00 O \r\n> HETATM 403 C12 LG1 K 1 1.980 1.269 4.532 1.00 0.00 C \r\n> HETATM 404 C13 LG1 K 1 0.288 4.796 2.323 1.00 0.00 C \r\n> HETATM 405 C14 LG1 K 1 2.091 1.065 5.876 1.00 0.00 C \r\n> HETATM 406 C15 LG1 K 1 -1.893 5.614 3.333 1.00 0.00 C \r\n> HETATM 407 H13 LG1 K 1 -7.226 9.265 0.021 1.00 0.00 H \r\n> HETATM 408 H1 LG1 K 1 -4.439 10.102 1.319 1.00 0.00 H \r\n> HETATM 409 H2 LG1 K 1 -4.960 9.449 2.648 1.00 0.00 H \r\n> HETATM 410 H3 LG1 K 1 1.016 2.295 3.113 1.00 0.00 H \r\n> HETATM 411 H4 LG1 K 1 -1.463 3.954 5.003 1.00 0.00 H \r\n> HETATM 412 H5 LG1 K 1 -0.151 3.151 6.822 1.00 0.00 H \r\n> HETATM 413 H6 LG1 K 1 1.400 1.674 7.653 1.00 0.00 H \r\n> HETATM 414 H7 LG1 K 1 2.522 0.789 3.948 1.00 0.00 H \r\n> HETATM 415 H8 LG1 K 1 1.101 4.407 2.656 1.00 0.00 H \r\n> HETATM 416 H9 LG1 K 1 0.444 5.715 2.093 1.00 0.00 H \r\n> HETATM 417 H10 LG1 K 1 -0.001 4.314 1.545 1.00 0.00 H \r\n> HETATM 418 H11 LG1 K 1 2.694 0.438 6.204 1.00 0.00 H \r\n> HETATM 419 H12 LG1 K 1 -2.492 5.508 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 421 S1 LG1 L 1 0.851 12.429 -16.509 1.00 0.00 S \r\n> HETATM 422 S2 LG1 L 1 -0.318 14.653 -18.076 1.00 0.00 S \r\n> HETATM 423 N1 LG1 L 1 -1.238 13.694 -15.757 1.00 0.00 N \r\n> HETATM 424 O1 LG1 L 1 -4.259 14.939 -17.048 1.00 0.00 O \r\n> HETATM 425 C1 LG1 L 1 0.096 11.909 -15.016 1.00 0.00 C \r\n> HETATM 426 O2 LG1 L 1 -1.881 12.611 -13.855 1.00 0.00 O \r\n> HETATM 427 C2 LG1 L 1 -0.327 13.668 -16.782 1.00 0.00 C \r\n> HETATM 428 C3 LG1 L 1 -2.363 14.602 -15.753 1.00 0.00 C \r\n> HETATM 429 C4 LG1 L 1 3.418 7.511 -13.454 1.00 0.00 C \r\n> HETATM 430 C5 LG1 L 1 1.613 9.228 -13.044 1.00 0.00 C \r\n> HETATM 431 C6 LG1 L 1 -1.098 12.725 -14.768 1.00 0.00 C \r\n> HETATM 432 C7 LG1 L 1 2.604 8.249 -12.607 1.00 0.00 C \r\n> HETATM 433 C8 LG1 L 1 1.562 10.055 -14.104 1.00 0.00 C \r\n> HETATM 434 C9 LG1 L 1 -3.528 14.023 -16.494 1.00 0.00 C \r\n> HETATM 435 C10 LG1 L 1 2.733 8.022 -11.254 1.00 0.00 C \r\n> HETATM 436 C11 LG1 L 1 3.648 7.126 -10.750 1.00 0.00 C \r\n> HETATM 437 O3 LG1 L 1 -3.742 12.832 -16.546 1.00 0.00 O \r\n> HETATM 438 C12 LG1 L 1 4.317 6.607 -12.953 1.00 0.00 C \r\n> HETATM 439 C13 LG1 L 1 2.625 10.134 -15.162 1.00 0.00 C \r\n> HETATM 440 C14 LG1 L 1 4.428 6.403 -11.610 1.00 0.00 C \r\n> HETATM 441 C15 LG1 L 1 0.444 10.952 -14.152 1.00 0.00 C \r\n> HETATM 442 H13 LG1 L 1 -4.889 14.603 -17.464 1.00 0.00 H \r\n> HETATM 443 H1 LG1 L 1 -2.102 15.439 -16.167 1.00 0.00 H \r\n> HETATM 444 H2 LG1 L 1 -2.623 14.786 -14.838 1.00 0.00 H \r\n> HETATM 445 H3 LG1 L 1 3.353 7.633 -14.372 1.00 0.00 H \r\n> HETATM 446 H4 LG1 L 1 0.874 9.292 -12.482 1.00 0.00 H \r\n> HETATM 447 H5 LG1 L 1 2.186 8.488 -10.663 1.00 0.00 H \r\n> HETATM 448 H6 LG1 L 1 3.737 7.011 -9.832 1.00 0.00 H \r\n> HETATM 449 H7 LG1 L 1 4.859 6.126 -13.537 1.00 0.00 H \r\n> HETATM 450 H8 LG1 L 1 3.438 9.745 -14.829 1.00 0.00 H \r\n> HETATM 451 H9 LG1 L 1 2.781 11.052 -15.393 1.00 0.00 H \r\n> HETATM 452 H10 LG1 L 1 2.336 9.652 -15.941 1.00 0.00 H \r\n> HETATM 453 H11 LG1 L 1 5.031 5.776 -11.281 1.00 0.00 H \r\n> HETATM 454 H12 LG1 L 1 -0.155 10.845 -13.448 1.00 0.00 H \r\n> TER \r\n> HETATM 456 S1 LG1 M 1 -1.486 12.429 0.976 1.00 0.00 S \r\n> HETATM 457 S2 LG1 M 1 -2.655 14.653 -0.590 1.00 0.00 S \r\n> HETATM 458 N1 LG1 M 1 -3.575 13.694 1.728 1.00 0.00 N \r\n> HETATM 459 O1 LG1 M 1 -6.596 14.939 0.437 1.00 0.00 O \r\n> HETATM 460 C1 LG1 M 1 -2.241 11.909 2.470 1.00 0.00 C \r\n> HETATM 461 O2 LG1 M 1 -4.218 12.611 3.631 1.00 0.00 O \r\n> HETATM 462 C2 LG1 M 1 -2.664 13.668 0.703 1.00 0.00 C \r\n> HETATM 463 C3 LG1 M 1 -4.700 14.602 1.732 1.00 0.00 C \r\n> HETATM 464 C4 LG1 M 1 1.081 7.511 4.032 1.00 0.00 C \r\n> HETATM 465 C5 LG1 M 1 -0.724 9.228 4.441 1.00 0.00 C \r\n> HETATM 466 C6 LG1 M 1 -3.435 12.725 2.717 1.00 0.00 C \r\n> HETATM 467 C7 LG1 M 1 0.267 8.249 4.878 1.00 0.00 C \r\n> HETATM 468 C8 LG1 M 1 -0.775 10.055 3.382 1.00 0.00 C \r\n> HETATM 469 C9 LG1 M 1 -5.865 14.023 0.991 1.00 0.00 C \r\n> HETATM 470 C10 LG1 M 1 0.396 8.022 6.232 1.00 0.00 C \r\n> HETATM 471 C11 LG1 M 1 1.311 7.126 6.735 1.00 0.00 C \r\n> HETATM 472 O3 LG1 M 1 -6.079 12.832 0.940 1.00 0.00 O \r\n> HETATM 473 C12 LG1 M 1 1.980 6.607 4.532 1.00 0.00 C \r\n> HETATM 474 C13 LG1 M 1 0.288 10.134 2.323 1.00 0.00 C \r\n> HETATM 475 C14 LG1 M 1 2.091 6.403 5.876 1.00 0.00 C \r\n> HETATM 476 C15 LG1 M 1 -1.893 10.952 3.333 1.00 0.00 C \r\n> HETATM 477 H13 LG1 M 1 -7.226 14.603 0.021 1.00 0.00 H \r\n> HETATM 478 H1 LG1 M 1 -4.439 15.439 1.319 1.00 0.00 H \r\n> HETATM 479 H2 LG1 M 1 -4.960 14.786 2.648 1.00 0.00 H \r\n> HETATM 480 H3 LG1 M 1 1.016 7.633 3.113 1.00 0.00 H \r\n> HETATM 481 H4 LG1 M 1 -1.463 9.292 5.003 1.00 0.00 H \r\n> HETATM 482 H5 LG1 M 1 -0.151 8.488 6.822 1.00 0.00 H \r\n> HETATM 483 H6 LG1 M 1 1.400 7.011 7.653 1.00 0.00 H \r\n> HETATM 484 H7 LG1 M 1 2.522 6.126 3.948 1.00 0.00 H \r\n> HETATM 485 H8 LG1 M 1 1.101 9.745 2.656 1.00 0.00 H \r\n> HETATM 486 H9 LG1 M 1 0.444 11.052 2.093 1.00 0.00 H \r\n> HETATM 487 H10 LG1 M 1 -0.001 9.652 1.545 1.00 0.00 H \r\n> HETATM 488 H11 LG1 M 1 2.694 5.776 6.204 1.00 0.00 H \r\n> HETATM 489 H12 LG1 M 1 -2.492 10.845 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 491 S1 LG1 N 1 13.234 -8.921 0.976 1.00 0.00 S \r\n> HETATM 492 S2 LG1 N 1 12.065 -6.697 -0.590 1.00 0.00 S \r\n> HETATM 493 N1 LG1 N 1 11.145 -7.656 1.728 1.00 0.00 N \r\n> HETATM 494 O1 LG1 N 1 8.123 -6.411 0.437 1.00 0.00 O \r\n> HETATM 495 C1 LG1 N 1 12.478 -9.440 2.470 1.00 0.00 C \r\n> HETATM 496 O2 LG1 N 1 10.502 -8.739 3.631 1.00 0.00 O \r\n> HETATM 497 C2 LG1 N 1 12.056 -7.682 0.703 1.00 0.00 C \r\n> HETATM 498 C3 LG1 N 1 10.019 -6.748 1.732 1.00 0.00 C \r\n> HETATM 499 C4 LG1 N 1 15.801 -13.839 4.032 1.00 0.00 C \r\n> HETATM 500 C5 LG1 N 1 13.995 -12.122 4.441 1.00 0.00 C \r\n> HETATM 501 C6 LG1 N 1 11.284 -8.625 2.717 1.00 0.00 C \r\n> HETATM 502 C7 LG1 N 1 14.986 -13.101 4.878 1.00 0.00 C \r\n> HETATM 503 C8 LG1 N 1 13.945 -11.295 3.382 1.00 0.00 C \r\n> HETATM 504 C9 LG1 N 1 8.855 -7.326 0.991 1.00 0.00 C \r\n> HETATM 505 C10 LG1 N 1 15.116 -13.328 6.232 1.00 0.00 C \r\n> HETATM 506 C11 LG1 N 1 16.031 -14.224 6.735 1.00 0.00 C \r\n> HETATM 507 O3 LG1 N 1 8.641 -8.518 0.940 1.00 0.00 O \r\n> HETATM 508 C12 LG1 N 1 16.700 -14.743 4.532 1.00 0.00 C \r\n> HETATM 509 C13 LG1 N 1 15.008 -11.216 2.323 1.00 0.00 C \r\n> HETATM 510 C14 LG1 N 1 16.811 -14.947 5.876 1.00 0.00 C \r\n> HETATM 511 C15 LG1 N 1 12.826 -10.398 3.333 1.00 0.00 C \r\n> HETATM 512 H13 LG1 N 1 7.494 -6.747 0.021 1.00 0.00 H \r\n> HETATM 513 H1 LG1 N 1 10.280 -5.911 1.319 1.00 0.00 H \r\n> HETATM 514 H2 LG1 N 1 9.759 -6.564 2.648 1.00 0.00 H \r\n> HETATM 515 H3 LG1 N 1 15.736 -13.717 3.113 1.00 0.00 H \r\n> HETATM 516 H4 LG1 N 1 13.257 -12.058 5.003 1.00 0.00 H \r\n> HETATM 517 H5 LG1 N 1 14.569 -12.861 6.822 1.00 0.00 H \r\n> HETATM 518 H6 LG1 N 1 16.119 -14.339 7.653 1.00 0.00 H \r\n> HETATM 519 H7 LG1 N 1 17.241 -15.224 3.948 1.00 0.00 H \r\n> HETATM 520 H8 LG1 N 1 15.821 -11.605 2.656 1.00 0.00 H \r\n> HETATM 521 H9 LG1 N 1 15.163 -10.298 2.093 1.00 0.00 H \r\n> HETATM 522 H10 LG1 N 1 14.719 -11.698 1.545 1.00 0.00 H \r\n> HETATM 523 H11 LG1 N 1 17.414 -15.574 6.204 1.00 0.00 H \r\n> HETATM 524 H12 LG1 N 1 12.228 -10.505 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 526 S1 LG1 O 1 13.234 -3.584 0.976 1.00 0.00 S \r\n> HETATM 527 S2 LG1 O 1 12.065 -1.359 -0.590 1.00 0.00 S \r\n> HETATM 528 N1 LG1 O 1 11.145 -2.318 1.728 1.00 0.00 N \r\n> HETATM 529 O1 LG1 O 1 8.123 -1.073 0.437 1.00 0.00 O \r\n> HETATM 530 C1 LG1 O 1 12.478 -4.103 2.470 1.00 0.00 C \r\n> HETATM 531 O2 LG1 O 1 10.502 -3.401 3.631 1.00 0.00 O \r\n> HETATM 532 C2 LG1 O 1 12.056 -2.344 0.703 1.00 0.00 C \r\n> HETATM 533 C3 LG1 O 1 10.019 -1.411 1.732 1.00 0.00 C \r\n> HETATM 534 C4 LG1 O 1 15.801 -8.501 4.032 1.00 0.00 C \r\n> HETATM 535 C5 LG1 O 1 13.995 -6.785 4.441 1.00 0.00 C \r\n> HETATM 536 C6 LG1 O 1 11.284 -3.288 2.717 1.00 0.00 C \r\n> HETATM 537 C7 LG1 O 1 14.986 -7.764 4.878 1.00 0.00 C \r\n> HETATM 538 C8 LG1 O 1 13.945 -5.957 3.382 1.00 0.00 C \r\n> HETATM 539 C9 LG1 O 1 8.855 -1.989 0.991 1.00 0.00 C \r\n> HETATM 540 C10 LG1 O 1 15.116 -7.990 6.232 1.00 0.00 C \r\n> HETATM 541 C11 LG1 O 1 16.031 -8.887 6.735 1.00 0.00 C \r\n> HETATM 542 O3 LG1 O 1 8.641 -3.180 0.940 1.00 0.00 O \r\n> HETATM 543 C12 LG1 O 1 16.700 -9.406 4.532 1.00 0.00 C \r\n> HETATM 544 C13 LG1 O 1 15.008 -5.879 2.323 1.00 0.00 C \r\n> HETATM 545 C14 LG1 O 1 16.811 -9.610 5.876 1.00 0.00 C \r\n> HETATM 546 C15 LG1 O 1 12.826 -5.061 3.333 1.00 0.00 C \r\n> HETATM 547 H13 LG1 O 1 7.494 -1.410 0.021 1.00 0.00 H \r\n> HETATM 548 H1 LG1 O 1 10.280 -0.573 1.319 1.00 0.00 H \r\n> HETATM 549 H2 LG1 O 1 9.759 -1.226 2.648 1.00 0.00 H \r\n> HETATM 550 H3 LG1 O 1 15.736 -8.380 3.113 1.00 0.00 H \r\n> HETATM 551 H4 LG1 O 1 13.257 -6.721 5.003 1.00 0.00 H \r\n> HETATM 552 H5 LG1 O 1 14.569 -7.524 6.822 1.00 0.00 H \r\n> HETATM 553 H6 LG1 O 1 16.119 -9.001 7.653 1.00 0.00 H \r\n> HETATM 554 H7 LG1 O 1 17.241 -9.886 3.948 1.00 0.00 H \r\n> HETATM 555 H8 LG1 O 1 15.821 -6.268 2.656 1.00 0.00 H \r\n> HETATM 556 H9 LG1 O 1 15.163 -4.960 2.093 1.00 0.00 H \r\n> HETATM 557 H10 LG1 O 1 14.719 -6.361 1.545 1.00 0.00 H \r\n> HETATM 558 H11 LG1 O 1 17.414 -10.237 6.204 1.00 0.00 H \r\n> HETATM 559 H12 LG1 O 1 12.228 -5.167 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 561 S1 LG1 P 1 13.234 1.754 0.976 1.00 0.00 S \r\n> HETATM 562 S2 LG1 P 1 12.065 3.978 -0.590 1.00 0.00 S \r\n> HETATM 563 N1 LG1 P 1 11.145 3.019 1.728 1.00 0.00 N \r\n> HETATM 564 O1 LG1 P 1 8.123 4.264 0.437 1.00 0.00 O \r\n> HETATM 565 C1 LG1 P 1 12.478 1.234 2.470 1.00 0.00 C \r\n> HETATM 566 O2 LG1 P 1 10.502 1.936 3.631 1.00 0.00 O \r\n> HETATM 567 C2 LG1 P 1 12.056 2.993 0.703 1.00 0.00 C \r\n> HETATM 568 C3 LG1 P 1 10.019 3.927 1.732 1.00 0.00 C \r\n> HETATM 569 C4 LG1 P 1 15.801 -3.164 4.032 1.00 0.00 C \r\n> HETATM 570 C5 LG1 P 1 13.995 -1.447 4.441 1.00 0.00 C \r\n> HETATM 571 C6 LG1 P 1 11.284 2.050 2.717 1.00 0.00 C \r\n> HETATM 572 C7 LG1 P 1 14.986 -2.426 4.878 1.00 0.00 C \r\n> HETATM 573 C8 LG1 P 1 13.945 -0.620 3.382 1.00 0.00 C \r\n> HETATM 574 C9 LG1 P 1 8.855 3.349 0.991 1.00 0.00 C \r\n> HETATM 575 C10 LG1 P 1 15.116 -2.653 6.232 1.00 0.00 C \r\n> HETATM 576 C11 LG1 P 1 16.031 -3.549 6.735 1.00 0.00 C \r\n> HETATM 577 O3 LG1 P 1 8.641 2.157 0.940 1.00 0.00 O \r\n> HETATM 578 C12 LG1 P 1 16.700 -4.068 4.532 1.00 0.00 C \r\n> HETATM 579 C13 LG1 P 1 15.008 -0.541 2.323 1.00 0.00 C \r\n> HETATM 580 C14 LG1 P 1 16.811 -4.272 5.876 1.00 0.00 C \r\n> HETATM 581 C15 LG1 P 1 12.826 0.277 3.333 1.00 0.00 C \r\n> HETATM 582 H13 LG1 P 1 7.494 3.928 0.021 1.00 0.00 H \r\n> HETATM 583 H1 LG1 P 1 10.280 4.764 1.319 1.00 0.00 H \r\n> HETATM 584 H2 LG1 P 1 9.759 4.111 2.648 1.00 0.00 H \r\n> HETATM 585 H3 LG1 P 1 15.736 -3.042 3.113 1.00 0.00 H \r\n> HETATM 586 H4 LG1 P 1 13.257 -1.383 5.003 1.00 0.00 H \r\n> HETATM 587 H5 LG1 P 1 14.569 -2.186 6.822 1.00 0.00 H \r\n> HETATM 588 H6 LG1 P 1 16.119 -3.664 7.653 1.00 0.00 H \r\n> HETATM 589 H7 LG1 P 1 17.241 -4.549 3.948 1.00 0.00 H \r\n> HETATM 590 H8 LG1 P 1 15.821 -0.930 2.656 1.00 0.00 H \r\n> HETATM 591 H9 LG1 P 1 15.163 0.377 2.093 1.00 0.00 H \r\n> HETATM 592 H10 LG1 P 1 14.719 -1.023 1.545 1.00 0.00 H \r\n> HETATM 593 H11 LG1 P 1 17.414 -4.899 6.204 1.00 0.00 H \r\n> HETATM 594 H12 LG1 P 1 12.228 0.170 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 596 S1 LG1 Q 1 13.234 7.091 0.976 1.00 0.00 S \r\n> HETATM 597 S2 LG1 Q 1 12.065 9.315 -0.590 1.00 0.00 S \r\n> HETATM 598 N1 LG1 Q 1 11.145 8.357 1.728 1.00 0.00 N \r\n> HETATM 599 O1 LG1 Q 1 8.123 9.602 0.437 1.00 0.00 O \r\n> HETATM 600 C1 LG1 Q 1 12.478 6.572 2.470 1.00 0.00 C \r\n> HETATM 601 O2 LG1 Q 1 10.502 7.274 3.631 1.00 0.00 O \r\n> HETATM 602 C2 LG1 Q 1 12.056 8.331 0.703 1.00 0.00 C \r\n> HETATM 603 C3 LG1 Q 1 10.019 9.264 1.732 1.00 0.00 C \r\n> HETATM 604 C4 LG1 Q 1 15.801 2.174 4.032 1.00 0.00 C \r\n> HETATM 605 C5 LG1 Q 1 13.995 3.890 4.441 1.00 0.00 C \r\n> HETATM 606 C6 LG1 Q 1 11.284 7.387 2.717 1.00 0.00 C \r\n> HETATM 607 C7 LG1 Q 1 14.986 2.911 4.878 1.00 0.00 C \r\n> HETATM 608 C8 LG1 Q 1 13.945 4.718 3.382 1.00 0.00 C \r\n> HETATM 609 C9 LG1 Q 1 8.855 8.686 0.991 1.00 0.00 C \r\n> HETATM 610 C10 LG1 Q 1 15.116 2.685 6.232 1.00 0.00 C \r\n> HETATM 611 C11 LG1 Q 1 16.031 1.788 6.735 1.00 0.00 C \r\n> HETATM 612 O3 LG1 Q 1 8.641 7.495 0.940 1.00 0.00 O \r\n> HETATM 613 C12 LG1 Q 1 16.700 1.269 4.532 1.00 0.00 C \r\n> HETATM 614 C13 LG1 Q 1 15.008 4.796 2.323 1.00 0.00 C \r\n> HETATM 615 C14 LG1 Q 1 16.811 1.065 5.876 1.00 0.00 C \r\n> HETATM 616 C15 LG1 Q 1 12.826 5.614 3.333 1.00 0.00 C \r\n> HETATM 617 H13 LG1 Q 1 7.494 9.265 0.021 1.00 0.00 H \r\n> HETATM 618 H1 LG1 Q 1 10.280 10.102 1.319 1.00 0.00 H \r\n> HETATM 619 H2 LG1 Q 1 9.759 9.449 2.648 1.00 0.00 H \r\n> HETATM 620 H3 LG1 Q 1 15.736 2.295 3.113 1.00 0.00 H \r\n> HETATM 621 H4 LG1 Q 1 13.257 3.954 5.003 1.00 0.00 H \r\n> HETATM 622 H5 LG1 Q 1 14.569 3.151 6.822 1.00 0.00 H \r\n> HETATM 623 H6 LG1 Q 1 16.119 1.674 7.653 1.00 0.00 H \r\n> HETATM 624 H7 LG1 Q 1 17.241 0.789 3.948 1.00 0.00 H \r\n> HETATM 625 H8 LG1 Q 1 15.821 4.407 2.656 1.00 0.00 H \r\n> HETATM 626 H9 LG1 Q 1 15.163 5.715 2.093 1.00 0.00 H \r\n> HETATM 627 H10 LG1 Q 1 14.719 4.314 1.545 1.00 0.00 H \r\n> HETATM 628 H11 LG1 Q 1 17.414 0.438 6.204 1.00 0.00 H \r\n> HETATM 629 H12 LG1 Q 1 12.228 5.508 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 631 S1 LG1 R 1 13.234 12.429 0.976 1.00 0.00 S \r\n> HETATM 632 S2 LG1 R 1 12.065 14.653 -0.590 1.00 0.00 S \r\n> HETATM 633 N1 LG1 R 1 11.145 13.694 1.728 1.00 0.00 N \r\n> HETATM 634 O1 LG1 R 1 8.123 14.939 0.437 1.00 0.00 O \r\n> HETATM 635 C1 LG1 R 1 12.478 11.909 2.470 1.00 0.00 C \r\n> HETATM 636 O2 LG1 R 1 10.502 12.611 3.631 1.00 0.00 O \r\n> HETATM 637 C2 LG1 R 1 12.056 13.668 0.703 1.00 0.00 C \r\n> HETATM 638 C3 LG1 R 1 10.019 14.602 1.732 1.00 0.00 C \r\n> HETATM 639 C4 LG1 R 1 15.801 7.511 4.032 1.00 0.00 C \r\n> HETATM 640 C5 LG1 R 1 13.995 9.228 4.441 1.00 0.00 C \r\n> HETATM 641 C6 LG1 R 1 11.284 12.725 2.717 1.00 0.00 C \r\n> HETATM 642 C7 LG1 R 1 14.986 8.249 4.878 1.00 0.00 C \r\n> HETATM 643 C8 LG1 R 1 13.945 10.055 3.382 1.00 0.00 C \r\n> HETATM 644 C9 LG1 R 1 8.855 14.023 0.991 1.00 0.00 C \r\n> HETATM 645 C10 LG1 R 1 15.116 8.022 6.232 1.00 0.00 C \r\n> HETATM 646 C11 LG1 R 1 16.031 7.126 6.735 1.00 0.00 C \r\n> HETATM 647 O3 LG1 R 1 8.641 12.832 0.940 1.00 0.00 O \r\n> HETATM 648 C12 LG1 R 1 16.700 6.607 4.532 1.00 0.00 C \r\n> HETATM 649 C13 LG1 R 1 15.008 10.134 2.323 1.00 0.00 C \r\n> HETATM 650 C14 LG1 R 1 16.811 6.403 5.876 1.00 0.00 C \r\n> HETATM 651 C15 LG1 R 1 12.826 10.952 3.333 1.00 0.00 C \r\n> HETATM 652 H13 LG1 R 1 7.494 14.603 0.021 1.00 0.00 H \r\n> HETATM 653 H1 LG1 R 1 10.280 15.439 1.319 1.00 0.00 H \r\n> HETATM 654 H2 LG1 R 1 9.759 14.786 2.648 1.00 0.00 H \r\n> HETATM 655 H3 LG1 R 1 15.736 7.633 3.113 1.00 0.00 H \r\n> HETATM 656 H4 LG1 R 1 13.257 9.292 5.003 1.00 0.00 H \r\n> HETATM 657 H5 LG1 R 1 14.569 8.488 6.822 1.00 0.00 H \r\n> HETATM 658 H6 LG1 R 1 16.119 7.011 7.653 1.00 0.00 H \r\n> HETATM 659 H7 LG1 R 1 17.241 6.126 3.948 1.00 0.00 H \r\n> HETATM 660 H8 LG1 R 1 15.821 9.745 2.656 1.00 0.00 H \r\n> HETATM 661 H9 LG1 R 1 15.163 11.052 2.093 1.00 0.00 H \r\n> HETATM 662 H10 LG1 R 1 14.719 9.652 1.545 1.00 0.00 H \r\n> HETATM 663 H11 LG1 R 1 17.414 5.776 6.204 1.00 0.00 H \r\n> HETATM 664 H12 LG1 R 1 12.228 10.845 4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 666 S1 LG1 S 1 -4.707 -6.252 -9.719 1.00 0.00 S \r\n> HETATM 667 S2 LG1 S 1 -3.539 -4.028 -8.153 1.00 0.00 S \r\n> HETATM 668 N1 LG1 S 1 -2.619 -4.987 -10.471 1.00 0.00 N \r\n> HETATM 669 O1 LG1 S 1 0.403 -3.742 -9.180 1.00 0.00 O \r\n> HETATM 670 C1 LG1 S 1 -3.952 -6.772 -11.213 1.00 0.00 C \r\n> HETATM 671 O2 LG1 S 1 -1.975 -6.070 -12.374 1.00 0.00 O \r\n> HETATM 672 C2 LG1 S 1 -3.530 -5.013 -9.446 1.00 0.00 C \r\n> HETATM 673 C3 LG1 S 1 -1.493 -4.080 -10.475 1.00 0.00 C \r\n> HETATM 674 C4 LG1 S 1 -7.275 -11.170 -12.775 1.00 0.00 C \r\n> HETATM 675 C5 LG1 S 1 -5.469 -9.454 -13.184 1.00 0.00 C \r\n> HETATM 676 C6 LG1 S 1 -2.758 -5.956 -11.460 1.00 0.00 C \r\n> HETATM 677 C7 LG1 S 1 -6.460 -10.432 -13.621 1.00 0.00 C \r\n> HETATM 678 C8 LG1 S 1 -5.419 -8.626 -12.125 1.00 0.00 C \r\n> HETATM 679 C9 LG1 S 1 -0.328 -4.658 -9.734 1.00 0.00 C \r\n> HETATM 680 C10 LG1 S 1 -6.590 -10.659 -14.975 1.00 0.00 C \r\n> HETATM 681 C11 LG1 S 1 -7.504 -11.555 -15.478 1.00 0.00 C \r\n> HETATM 682 O3 LG1 S 1 -0.115 -5.849 -9.683 1.00 0.00 O \r\n> HETATM 683 C12 LG1 S 1 -8.174 -12.075 -13.275 1.00 0.00 C \r\n> HETATM 684 C13 LG1 S 1 -6.481 -8.548 -11.066 1.00 0.00 C \r\n> HETATM 685 C14 LG1 S 1 -8.284 -12.278 -14.619 1.00 0.00 C \r\n> HETATM 686 C15 LG1 S 1 -4.300 -7.730 -12.076 1.00 0.00 C \r\n> HETATM 687 H13 LG1 S 1 1.033 -4.079 -8.764 1.00 0.00 H \r\n> HETATM 688 H1 LG1 S 1 -1.754 -3.242 -10.062 1.00 0.00 H \r\n> HETATM 689 H2 LG1 S 1 -1.233 -3.895 -11.391 1.00 0.00 H \r\n> HETATM 690 H3 LG1 S 1 -7.209 -11.048 -11.856 1.00 0.00 H \r\n> HETATM 691 H4 LG1 S 1 -4.731 -9.390 -13.746 1.00 0.00 H \r\n> HETATM 692 H5 LG1 S 1 -6.043 -10.193 -15.565 1.00 0.00 H \r\n> HETATM 693 H6 LG1 S 1 -7.593 -11.670 -16.396 1.00 0.00 H \r\n> HETATM 694 H7 LG1 S 1 -8.715 -12.555 -12.691 1.00 0.00 H \r\n> HETATM 695 H8 LG1 S 1 -7.295 -8.936 -11.399 1.00 0.00 H \r\n> HETATM 696 H9 LG1 S 1 -6.637 -7.629 -10.836 1.00 0.00 H \r\n> HETATM 697 H10 LG1 S 1 -6.192 -9.029 -10.287 1.00 0.00 H \r\n> HETATM 698 H11 LG1 S 1 -8.887 -12.905 -14.947 1.00 0.00 H \r\n> HETATM 699 H12 LG1 S 1 -3.701 -7.836 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 701 S1 LG1 T 1 -7.044 -6.252 7.766 1.00 0.00 S \r\n> HETATM 702 S2 LG1 T 1 -5.876 -4.028 9.333 1.00 0.00 S \r\n> HETATM 703 N1 LG1 T 1 -4.956 -4.987 7.014 1.00 0.00 N \r\n> HETATM 704 O1 LG1 T 1 -1.934 -3.742 8.305 1.00 0.00 O \r\n> HETATM 705 C1 LG1 T 1 -6.289 -6.772 6.273 1.00 0.00 C \r\n> HETATM 706 O2 LG1 T 1 -4.312 -6.070 5.112 1.00 0.00 O \r\n> HETATM 707 C2 LG1 T 1 -5.867 -5.013 8.039 1.00 0.00 C \r\n> HETATM 708 C3 LG1 T 1 -3.830 -4.080 7.010 1.00 0.00 C \r\n> HETATM 709 C4 LG1 T 1 -9.612 -11.170 4.711 1.00 0.00 C \r\n> HETATM 710 C5 LG1 T 1 -7.806 -9.454 4.301 1.00 0.00 C \r\n> HETATM 711 C6 LG1 T 1 -5.095 -5.956 6.025 1.00 0.00 C \r\n> HETATM 712 C7 LG1 T 1 -8.797 -10.432 3.864 1.00 0.00 C \r\n> HETATM 713 C8 LG1 T 1 -7.756 -8.626 5.361 1.00 0.00 C \r\n> HETATM 714 C9 LG1 T 1 -2.665 -4.658 7.751 1.00 0.00 C \r\n> HETATM 715 C10 LG1 T 1 -8.927 -10.659 2.511 1.00 0.00 C \r\n> HETATM 716 C11 LG1 T 1 -9.841 -11.555 2.007 1.00 0.00 C \r\n> HETATM 717 O3 LG1 T 1 -2.452 -5.849 7.803 1.00 0.00 O \r\n> HETATM 718 C12 LG1 T 1 -10.511 -12.075 4.210 1.00 0.00 C \r\n> HETATM 719 C13 LG1 T 1 -8.818 -8.548 6.419 1.00 0.00 C \r\n> HETATM 720 C14 LG1 T 1 -10.621 -12.278 2.867 1.00 0.00 C \r\n> HETATM 721 C15 LG1 T 1 -6.637 -7.730 5.410 1.00 0.00 C \r\n> HETATM 722 H13 LG1 T 1 -1.304 -4.079 8.721 1.00 0.00 H \r\n> HETATM 723 H1 LG1 T 1 -4.091 -3.242 7.424 1.00 0.00 H \r\n> HETATM 724 H2 LG1 T 1 -3.570 -3.895 6.095 1.00 0.00 H \r\n> HETATM 725 H3 LG1 T 1 -9.546 -11.048 5.629 1.00 0.00 H \r\n> HETATM 726 H4 LG1 T 1 -7.068 -9.390 3.739 1.00 0.00 H \r\n> HETATM 727 H5 LG1 T 1 -8.380 -10.193 1.920 1.00 0.00 H \r\n> HETATM 728 H6 LG1 T 1 -9.930 -11.670 1.089 1.00 0.00 H \r\n> HETATM 729 H7 LG1 T 1 -11.052 -12.555 4.794 1.00 0.00 H \r\n> HETATM 730 H8 LG1 T 1 -9.632 -8.936 6.086 1.00 0.00 H \r\n> HETATM 731 H9 LG1 T 1 -8.974 -7.629 6.650 1.00 0.00 H \r\n> HETATM 732 H10 LG1 T 1 -8.529 -9.029 7.198 1.00 0.00 H \r\n> HETATM 733 H11 LG1 T 1 -11.224 -12.905 2.538 1.00 0.00 H \r\n> HETATM 734 H12 LG1 T 1 -6.038 -7.836 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 736 S1 LG1 U 1 -4.707 -0.915 -9.719 1.00 0.00 S \r\n> HETATM 737 S2 LG1 U 1 -3.539 1.309 -8.153 1.00 0.00 S \r\n> HETATM 738 N1 LG1 U 1 -2.619 0.351 -10.471 1.00 0.00 N \r\n> HETATM 739 O1 LG1 U 1 0.403 1.596 -9.180 1.00 0.00 O \r\n> HETATM 740 C1 LG1 U 1 -3.952 -1.434 -11.213 1.00 0.00 C \r\n> HETATM 741 O2 LG1 U 1 -1.975 -0.733 -12.374 1.00 0.00 O \r\n> HETATM 742 C2 LG1 U 1 -3.530 0.324 -9.446 1.00 0.00 C \r\n> HETATM 743 C3 LG1 U 1 -1.493 1.258 -10.475 1.00 0.00 C \r\n> HETATM 744 C4 LG1 U 1 -7.275 -5.832 -12.775 1.00 0.00 C \r\n> HETATM 745 C5 LG1 U 1 -5.469 -4.116 -13.184 1.00 0.00 C \r\n> HETATM 746 C6 LG1 U 1 -2.758 -0.619 -11.460 1.00 0.00 C \r\n> HETATM 747 C7 LG1 U 1 -6.460 -5.095 -13.621 1.00 0.00 C \r\n> HETATM 748 C8 LG1 U 1 -5.419 -3.288 -12.125 1.00 0.00 C \r\n> HETATM 749 C9 LG1 U 1 -0.328 0.680 -9.734 1.00 0.00 C \r\n> HETATM 750 C10 LG1 U 1 -6.590 -5.322 -14.975 1.00 0.00 C \r\n> HETATM 751 C11 LG1 U 1 -7.504 -6.218 -15.478 1.00 0.00 C \r\n> HETATM 752 O3 LG1 U 1 -0.115 -0.511 -9.683 1.00 0.00 O \r\n> HETATM 753 C12 LG1 U 1 -8.174 -6.737 -13.275 1.00 0.00 C \r\n> HETATM 754 C13 LG1 U 1 -6.481 -3.210 -11.066 1.00 0.00 C \r\n> HETATM 755 C14 LG1 U 1 -8.284 -6.941 -14.619 1.00 0.00 C \r\n> HETATM 756 C15 LG1 U 1 -4.300 -2.392 -12.076 1.00 0.00 C \r\n> HETATM 757 H13 LG1 U 1 1.033 1.259 -8.764 1.00 0.00 H \r\n> HETATM 758 H1 LG1 U 1 -1.754 2.095 -10.062 1.00 0.00 H \r\n> HETATM 759 H2 LG1 U 1 -1.233 1.443 -11.391 1.00 0.00 H \r\n> HETATM 760 H3 LG1 U 1 -7.209 -5.711 -11.856 1.00 0.00 H \r\n> HETATM 761 H4 LG1 U 1 -4.731 -4.052 -13.746 1.00 0.00 H \r\n> HETATM 762 H5 LG1 U 1 -6.043 -4.855 -15.565 1.00 0.00 H \r\n> HETATM 763 H6 LG1 U 1 -7.593 -6.332 -16.396 1.00 0.00 H \r\n> HETATM 764 H7 LG1 U 1 -8.715 -7.217 -12.691 1.00 0.00 H \r\n> HETATM 765 H8 LG1 U 1 -7.295 -3.599 -11.399 1.00 0.00 H \r\n> HETATM 766 H9 LG1 U 1 -6.637 -2.292 -10.836 1.00 0.00 H \r\n> HETATM 767 H10 LG1 U 1 -6.192 -3.692 -10.287 1.00 0.00 H \r\n> HETATM 768 H11 LG1 U 1 -8.887 -7.568 -14.947 1.00 0.00 H \r\n> HETATM 769 H12 LG1 U 1 -3.701 -2.498 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 771 S1 LG1 V 1 -7.044 -0.915 7.766 1.00 0.00 S \r\n> HETATM 772 S2 LG1 V 1 -5.876 1.309 9.333 1.00 0.00 S \r\n> HETATM 773 N1 LG1 V 1 -4.956 0.351 7.014 1.00 0.00 N \r\n> HETATM 774 O1 LG1 V 1 -1.934 1.596 8.305 1.00 0.00 O \r\n> HETATM 775 C1 LG1 V 1 -6.289 -1.434 6.273 1.00 0.00 C \r\n> HETATM 776 O2 LG1 V 1 -4.312 -0.733 5.112 1.00 0.00 O \r\n> HETATM 777 C2 LG1 V 1 -5.867 0.324 8.039 1.00 0.00 C \r\n> HETATM 778 C3 LG1 V 1 -3.830 1.258 7.010 1.00 0.00 C \r\n> HETATM 779 C4 LG1 V 1 -9.612 -5.832 4.711 1.00 0.00 C \r\n> HETATM 780 C5 LG1 V 1 -7.806 -4.116 4.301 1.00 0.00 C \r\n> HETATM 781 C6 LG1 V 1 -5.095 -0.619 6.025 1.00 0.00 C \r\n> HETATM 782 C7 LG1 V 1 -8.797 -5.095 3.864 1.00 0.00 C \r\n> HETATM 783 C8 LG1 V 1 -7.756 -3.288 5.361 1.00 0.00 C \r\n> HETATM 784 C9 LG1 V 1 -2.665 0.680 7.751 1.00 0.00 C \r\n> HETATM 785 C10 LG1 V 1 -8.927 -5.322 2.511 1.00 0.00 C \r\n> HETATM 786 C11 LG1 V 1 -9.841 -6.218 2.007 1.00 0.00 C \r\n> HETATM 787 O3 LG1 V 1 -2.452 -0.511 7.803 1.00 0.00 O \r\n> HETATM 788 C12 LG1 V 1 -10.511 -6.737 4.210 1.00 0.00 C \r\n> HETATM 789 C13 LG1 V 1 -8.818 -3.210 6.419 1.00 0.00 C \r\n> HETATM 790 C14 LG1 V 1 -10.621 -6.941 2.867 1.00 0.00 C \r\n> HETATM 791 C15 LG1 V 1 -6.637 -2.392 5.410 1.00 0.00 C \r\n> HETATM 792 H13 LG1 V 1 -1.304 1.259 8.721 1.00 0.00 H \r\n> HETATM 793 H1 LG1 V 1 -4.091 2.095 7.424 1.00 0.00 H \r\n> HETATM 794 H2 LG1 V 1 -3.570 1.443 6.095 1.00 0.00 H \r\n> HETATM 795 H3 LG1 V 1 -9.546 -5.711 5.629 1.00 0.00 H \r\n> HETATM 796 H4 LG1 V 1 -7.068 -4.052 3.739 1.00 0.00 H \r\n> HETATM 797 H5 LG1 V 1 -8.380 -4.855 1.920 1.00 0.00 H \r\n> HETATM 798 H6 LG1 V 1 -9.930 -6.332 1.089 1.00 0.00 H \r\n> HETATM 799 H7 LG1 V 1 -11.052 -7.217 4.794 1.00 0.00 H \r\n> HETATM 800 H8 LG1 V 1 -9.632 -3.599 6.086 1.00 0.00 H \r\n> HETATM 801 H9 LG1 V 1 -8.974 -2.292 6.650 1.00 0.00 H \r\n> HETATM 802 H10 LG1 V 1 -8.529 -3.692 7.198 1.00 0.00 H \r\n> HETATM 803 H11 LG1 V 1 -11.224 -7.568 2.538 1.00 0.00 H \r\n> HETATM 804 H12 LG1 V 1 -6.038 -2.498 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 806 S1 LG1 W 1 -4.707 4.423 -9.719 1.00 0.00 S \r\n> HETATM 807 S2 LG1 W 1 -3.539 6.647 -8.153 1.00 0.00 S \r\n> HETATM 808 N1 LG1 W 1 -2.619 5.688 -10.471 1.00 0.00 N \r\n> HETATM 809 O1 LG1 W 1 0.403 6.933 -9.180 1.00 0.00 O \r\n> HETATM 810 C1 LG1 W 1 -3.952 3.903 -11.213 1.00 0.00 C \r\n> HETATM 811 O2 LG1 W 1 -1.975 4.605 -12.374 1.00 0.00 O \r\n> HETATM 812 C2 LG1 W 1 -3.530 5.662 -9.446 1.00 0.00 C \r\n> HETATM 813 C3 LG1 W 1 -1.493 6.595 -10.475 1.00 0.00 C \r\n> HETATM 814 C4 LG1 W 1 -7.275 -0.495 -12.775 1.00 0.00 C \r\n> HETATM 815 C5 LG1 W 1 -5.469 1.221 -13.184 1.00 0.00 C \r\n> HETATM 816 C6 LG1 W 1 -2.758 4.718 -11.460 1.00 0.00 C \r\n> HETATM 817 C7 LG1 W 1 -6.460 0.242 -13.621 1.00 0.00 C \r\n> HETATM 818 C8 LG1 W 1 -5.419 2.049 -12.125 1.00 0.00 C \r\n> HETATM 819 C9 LG1 W 1 -0.328 6.017 -9.734 1.00 0.00 C \r\n> HETATM 820 C10 LG1 W 1 -6.590 0.016 -14.975 1.00 0.00 C \r\n> HETATM 821 C11 LG1 W 1 -7.504 -0.881 -15.478 1.00 0.00 C \r\n> HETATM 822 O3 LG1 W 1 -0.115 4.826 -9.683 1.00 0.00 O \r\n> HETATM 823 C12 LG1 W 1 -8.174 -1.400 -13.275 1.00 0.00 C \r\n> HETATM 824 C13 LG1 W 1 -6.481 2.127 -11.066 1.00 0.00 C \r\n> HETATM 825 C14 LG1 W 1 -8.284 -1.603 -14.619 1.00 0.00 C \r\n> HETATM 826 C15 LG1 W 1 -4.300 2.945 -12.076 1.00 0.00 C \r\n> HETATM 827 H13 LG1 W 1 1.033 6.596 -8.764 1.00 0.00 H \r\n> HETATM 828 H1 LG1 W 1 -1.754 7.433 -10.062 1.00 0.00 H \r\n> HETATM 829 H2 LG1 W 1 -1.233 6.780 -11.391 1.00 0.00 H \r\n> HETATM 830 H3 LG1 W 1 -7.209 -0.373 -11.856 1.00 0.00 H \r\n> HETATM 831 H4 LG1 W 1 -4.731 1.285 -13.746 1.00 0.00 H \r\n> HETATM 832 H5 LG1 W 1 -6.043 0.482 -15.565 1.00 0.00 H \r\n> HETATM 833 H6 LG1 W 1 -7.593 -0.995 -16.396 1.00 0.00 H \r\n> HETATM 834 H7 LG1 W 1 -8.715 -1.880 -12.691 1.00 0.00 H \r\n> HETATM 835 H8 LG1 W 1 -7.295 1.739 -11.399 1.00 0.00 H \r\n> HETATM 836 H9 LG1 W 1 -6.637 3.046 -10.836 1.00 0.00 H \r\n> HETATM 837 H10 LG1 W 1 -6.192 1.646 -10.287 1.00 0.00 H \r\n> HETATM 838 H11 LG1 W 1 -8.887 -2.231 -14.947 1.00 0.00 H \r\n> HETATM 839 H12 LG1 W 1 -3.701 2.839 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 841 S1 LG1 Y 1 -7.044 4.423 7.766 1.00 0.00 S \r\n> HETATM 842 S2 LG1 Y 1 -5.876 6.647 9.333 1.00 0.00 S \r\n> HETATM 843 N1 LG1 Y 1 -4.956 5.688 7.014 1.00 0.00 N \r\n> HETATM 844 O1 LG1 Y 1 -1.934 6.933 8.305 1.00 0.00 O \r\n> HETATM 845 C1 LG1 Y 1 -6.289 3.903 6.273 1.00 0.00 C \r\n> HETATM 846 O2 LG1 Y 1 -4.312 4.605 5.112 1.00 0.00 O \r\n> HETATM 847 C2 LG1 Y 1 -5.867 5.662 8.039 1.00 0.00 C \r\n> HETATM 848 C3 LG1 Y 1 -3.830 6.595 7.010 1.00 0.00 C \r\n> HETATM 849 C4 LG1 Y 1 -9.612 -0.495 4.711 1.00 0.00 C \r\n> HETATM 850 C5 LG1 Y 1 -7.806 1.221 4.301 1.00 0.00 C \r\n> HETATM 851 C6 LG1 Y 1 -5.095 4.718 6.025 1.00 0.00 C \r\n> HETATM 852 C7 LG1 Y 1 -8.797 0.242 3.864 1.00 0.00 C \r\n> HETATM 853 C8 LG1 Y 1 -7.756 2.049 5.361 1.00 0.00 C \r\n> HETATM 854 C9 LG1 Y 1 -2.665 6.017 7.751 1.00 0.00 C \r\n> HETATM 855 C10 LG1 Y 1 -8.927 0.016 2.511 1.00 0.00 C \r\n> HETATM 856 C11 LG1 Y 1 -9.841 -0.881 2.007 1.00 0.00 C \r\n> HETATM 857 O3 LG1 Y 1 -2.452 4.826 7.803 1.00 0.00 O \r\n> HETATM 858 C12 LG1 Y 1 -10.511 -1.400 4.210 1.00 0.00 C \r\n> HETATM 859 C13 LG1 Y 1 -8.818 2.127 6.419 1.00 0.00 C \r\n> HETATM 860 C14 LG1 Y 1 -10.621 -1.603 2.867 1.00 0.00 C \r\n> HETATM 861 C15 LG1 Y 1 -6.637 2.945 5.410 1.00 0.00 C \r\n> HETATM 862 H13 LG1 Y 1 -1.304 6.596 8.721 1.00 0.00 H \r\n> HETATM 863 H1 LG1 Y 1 -4.091 7.433 7.424 1.00 0.00 H \r\n> HETATM 864 H2 LG1 Y 1 -3.570 6.780 6.095 1.00 0.00 H \r\n> HETATM 865 H3 LG1 Y 1 -9.546 -0.373 5.629 1.00 0.00 H \r\n> HETATM 866 H4 LG1 Y 1 -7.068 1.285 3.739 1.00 0.00 H \r\n> HETATM 867 H5 LG1 Y 1 -8.380 0.482 1.920 1.00 0.00 H \r\n> HETATM 868 H6 LG1 Y 1 -9.930 -0.995 1.089 1.00 0.00 H \r\n> HETATM 869 H7 LG1 Y 1 -11.052 -1.880 4.794 1.00 0.00 H \r\n> HETATM 870 H8 LG1 Y 1 -9.632 1.739 6.086 1.00 0.00 H \r\n> HETATM 871 H9 LG1 Y 1 -8.974 3.046 6.650 1.00 0.00 H \r\n> HETATM 872 H10 LG1 Y 1 -8.529 1.646 7.198 1.00 0.00 H \r\n> HETATM 873 H11 LG1 Y 1 -11.224 -2.231 2.538 1.00 0.00 H \r\n> HETATM 874 H12 LG1 Y 1 -6.038 2.839 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 876 S1 LG1 Z 1 -4.707 9.760 -9.719 1.00 0.00 S \r\n> HETATM 877 S2 LG1 Z 1 -3.539 11.984 -8.153 1.00 0.00 S \r\n> HETATM 878 N1 LG1 Z 1 -2.619 11.025 -10.471 1.00 0.00 N \r\n> HETATM 879 O1 LG1 Z 1 0.403 12.271 -9.180 1.00 0.00 O \r\n> HETATM 880 C1 LG1 Z 1 -3.952 9.241 -11.213 1.00 0.00 C \r\n> HETATM 881 O2 LG1 Z 1 -1.975 9.942 -12.374 1.00 0.00 O \r\n> HETATM 882 C2 LG1 Z 1 -3.530 10.999 -9.446 1.00 0.00 C \r\n> HETATM 883 C3 LG1 Z 1 -1.493 11.933 -10.475 1.00 0.00 C \r\n> HETATM 884 C4 LG1 Z 1 -7.275 4.843 -12.775 1.00 0.00 C \r\n> HETATM 885 C5 LG1 Z 1 -5.469 6.559 -13.184 1.00 0.00 C \r\n> HETATM 886 C6 LG1 Z 1 -2.758 10.056 -11.460 1.00 0.00 C \r\n> HETATM 887 C7 LG1 Z 1 -6.460 5.580 -13.621 1.00 0.00 C \r\n> HETATM 888 C8 LG1 Z 1 -5.419 7.387 -12.125 1.00 0.00 C \r\n> HETATM 889 C9 LG1 Z 1 -0.328 11.355 -9.734 1.00 0.00 C \r\n> HETATM 890 C10 LG1 Z 1 -6.590 5.353 -14.975 1.00 0.00 C \r\n> HETATM 891 C11 LG1 Z 1 -7.504 4.457 -15.478 1.00 0.00 C \r\n> HETATM 892 O3 LG1 Z 1 -0.115 10.164 -9.683 1.00 0.00 O \r\n> HETATM 893 C12 LG1 Z 1 -8.174 3.938 -13.275 1.00 0.00 C \r\n> HETATM 894 C13 LG1 Z 1 -6.481 7.465 -11.066 1.00 0.00 C \r\n> HETATM 895 C14 LG1 Z 1 -8.284 3.734 -14.619 1.00 0.00 C \r\n> HETATM 896 C15 LG1 Z 1 -4.300 8.283 -12.076 1.00 0.00 C \r\n> HETATM 897 H13 LG1 Z 1 1.033 11.934 -8.764 1.00 0.00 H \r\n> HETATM 898 H1 LG1 Z 1 -1.754 12.770 -10.062 1.00 0.00 H \r\n> HETATM 899 H2 LG1 Z 1 -1.233 12.118 -11.391 1.00 0.00 H \r\n> HETATM 900 H3 LG1 Z 1 -7.209 4.964 -11.856 1.00 0.00 H \r\n> HETATM 901 H4 LG1 Z 1 -4.731 6.623 -13.746 1.00 0.00 H \r\n> HETATM 902 H5 LG1 Z 1 -6.043 5.820 -15.565 1.00 0.00 H \r\n> HETATM 903 H6 LG1 Z 1 -7.593 4.343 -16.396 1.00 0.00 H \r\n> HETATM 904 H7 LG1 Z 1 -8.715 3.457 -12.691 1.00 0.00 H \r\n> HETATM 905 H8 LG1 Z 1 -7.295 7.076 -11.399 1.00 0.00 H \r\n> HETATM 906 H9 LG1 Z 1 -6.637 8.383 -10.836 1.00 0.00 H \r\n> HETATM 907 H10 LG1 Z 1 -6.192 6.983 -10.287 1.00 0.00 H \r\n> HETATM 908 H11 LG1 Z 1 -8.887 3.107 -14.947 1.00 0.00 H \r\n> HETATM 909 H12 LG1 Z 1 -3.701 8.177 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 911 S1 LG1 0 1 -7.044 9.760 7.766 1.00 0.00 S \r\n> HETATM 912 S2 LG1 0 1 -5.876 11.984 9.333 1.00 0.00 S \r\n> HETATM 913 N1 LG1 0 1 -4.956 11.025 7.014 1.00 0.00 N \r\n> HETATM 914 O1 LG1 0 1 -1.934 12.271 8.305 1.00 0.00 O \r\n> HETATM 915 C1 LG1 0 1 -6.289 9.241 6.273 1.00 0.00 C \r\n> HETATM 916 O2 LG1 0 1 -4.312 9.942 5.112 1.00 0.00 O \r\n> HETATM 917 C2 LG1 0 1 -5.867 10.999 8.039 1.00 0.00 C \r\n> HETATM 918 C3 LG1 0 1 -3.830 11.933 7.010 1.00 0.00 C \r\n> HETATM 919 C4 LG1 0 1 -9.612 4.843 4.711 1.00 0.00 C \r\n> HETATM 920 C5 LG1 0 1 -7.806 6.559 4.301 1.00 0.00 C \r\n> HETATM 921 C6 LG1 0 1 -5.095 10.056 6.025 1.00 0.00 C \r\n> HETATM 922 C7 LG1 0 1 -8.797 5.580 3.864 1.00 0.00 C \r\n> HETATM 923 C8 LG1 0 1 -7.756 7.387 5.361 1.00 0.00 C \r\n> HETATM 924 C9 LG1 0 1 -2.665 11.355 7.751 1.00 0.00 C \r\n> HETATM 925 C10 LG1 0 1 -8.927 5.353 2.511 1.00 0.00 C \r\n> HETATM 926 C11 LG1 0 1 -9.841 4.457 2.007 1.00 0.00 C \r\n> HETATM 927 O3 LG1 0 1 -2.452 10.164 7.803 1.00 0.00 O \r\n> HETATM 928 C12 LG1 0 1 -10.511 3.938 4.210 1.00 0.00 C \r\n> HETATM 929 C13 LG1 0 1 -8.818 7.465 6.419 1.00 0.00 C \r\n> HETATM 930 C14 LG1 0 1 -10.621 3.734 2.867 1.00 0.00 C \r\n> HETATM 931 C15 LG1 0 1 -6.637 8.283 5.410 1.00 0.00 C \r\n> HETATM 932 H13 LG1 0 1 -1.304 11.934 8.721 1.00 0.00 H \r\n> HETATM 933 H1 LG1 0 1 -4.091 12.770 7.424 1.00 0.00 H \r\n> HETATM 934 H2 LG1 0 1 -3.570 12.118 6.095 1.00 0.00 H \r\n> HETATM 935 H3 LG1 0 1 -9.546 4.964 5.629 1.00 0.00 H \r\n> HETATM 936 H4 LG1 0 1 -7.068 6.623 3.739 1.00 0.00 H \r\n> HETATM 937 H5 LG1 0 1 -8.380 5.820 1.920 1.00 0.00 H \r\n> HETATM 938 H6 LG1 0 1 -9.930 4.343 1.089 1.00 0.00 H \r\n> HETATM 939 H7 LG1 0 1 -11.052 3.457 4.794 1.00 0.00 H \r\n> HETATM 940 H8 LG1 0 1 -9.632 7.076 6.086 1.00 0.00 H \r\n> HETATM 941 H9 LG1 0 1 -8.974 8.383 6.650 1.00 0.00 H \r\n> HETATM 942 H10 LG1 0 1 -8.529 6.983 7.198 1.00 0.00 H \r\n> HETATM 943 H11 LG1 0 1 -11.224 3.107 2.538 1.00 0.00 H \r\n> HETATM 944 H12 LG1 0 1 -6.038 8.177 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 946 S1 LG1 1 1 -7.044 15.097 7.766 1.00 0.00 S \r\n> HETATM 947 S2 LG1 1 1 -5.876 17.322 9.333 1.00 0.00 S \r\n> HETATM 948 N1 LG1 1 1 -4.956 16.363 7.014 1.00 0.00 N \r\n> HETATM 949 O1 LG1 1 1 -1.934 17.608 8.305 1.00 0.00 O \r\n> HETATM 950 C1 LG1 1 1 -6.289 14.578 6.273 1.00 0.00 C \r\n> HETATM 951 O2 LG1 1 1 -4.312 15.280 5.112 1.00 0.00 O \r\n> HETATM 952 C2 LG1 1 1 -5.867 16.337 8.039 1.00 0.00 C \r\n> HETATM 953 C3 LG1 1 1 -3.830 17.270 7.010 1.00 0.00 C \r\n> HETATM 954 C4 LG1 1 1 -9.612 10.180 4.711 1.00 0.00 C \r\n> HETATM 955 C5 LG1 1 1 -7.806 11.896 4.301 1.00 0.00 C \r\n> HETATM 956 C6 LG1 1 1 -5.095 15.393 6.025 1.00 0.00 C \r\n> HETATM 957 C7 LG1 1 1 -8.797 10.917 3.864 1.00 0.00 C \r\n> HETATM 958 C8 LG1 1 1 -7.756 12.724 5.361 1.00 0.00 C \r\n> HETATM 959 C9 LG1 1 1 -2.665 16.692 7.751 1.00 0.00 C \r\n> HETATM 960 C10 LG1 1 1 -8.927 10.691 2.511 1.00 0.00 C \r\n> HETATM 961 C11 LG1 1 1 -9.841 9.794 2.007 1.00 0.00 C \r\n> HETATM 962 O3 LG1 1 1 -2.452 15.501 7.803 1.00 0.00 O \r\n> HETATM 963 C12 LG1 1 1 -10.511 9.275 4.210 1.00 0.00 C \r\n> HETATM 964 C13 LG1 1 1 -8.818 12.802 6.419 1.00 0.00 C \r\n> HETATM 965 C14 LG1 1 1 -10.621 9.071 2.867 1.00 0.00 C \r\n> HETATM 966 C15 LG1 1 1 -6.637 13.620 5.410 1.00 0.00 C \r\n> HETATM 967 H13 LG1 1 1 -1.304 17.271 8.721 1.00 0.00 H \r\n> HETATM 968 H1 LG1 1 1 -4.091 18.108 7.424 1.00 0.00 H \r\n> HETATM 969 H2 LG1 1 1 -3.570 17.455 6.095 1.00 0.00 H \r\n> HETATM 970 H3 LG1 1 1 -9.546 10.302 5.629 1.00 0.00 H \r\n> HETATM 971 H4 LG1 1 1 -7.068 11.960 3.739 1.00 0.00 H \r\n> HETATM 972 H5 LG1 1 1 -8.380 11.157 1.920 1.00 0.00 H \r\n> HETATM 973 H6 LG1 1 1 -9.930 9.680 1.089 1.00 0.00 H \r\n> HETATM 974 H7 LG1 1 1 -11.052 8.795 4.794 1.00 0.00 H \r\n> HETATM 975 H8 LG1 1 1 -9.632 12.414 6.086 1.00 0.00 H \r\n> HETATM 976 H9 LG1 1 1 -8.974 13.721 6.650 1.00 0.00 H \r\n> HETATM 977 H10 LG1 1 1 -8.529 12.320 7.198 1.00 0.00 H \r\n> HETATM 978 H11 LG1 1 1 -11.224 8.444 2.538 1.00 0.00 H \r\n> HETATM 979 H12 LG1 1 1 -6.038 13.514 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 981 S1 LG1 2 1 7.675 -6.252 7.766 1.00 0.00 S \r\n> HETATM 982 S2 LG1 2 1 8.844 -4.028 9.333 1.00 0.00 S \r\n> HETATM 983 N1 LG1 2 1 9.764 -4.987 7.014 1.00 0.00 N \r\n> HETATM 984 O1 LG1 2 1 12.786 -3.742 8.305 1.00 0.00 O \r\n> HETATM 985 C1 LG1 2 1 8.431 -6.772 6.273 1.00 0.00 C \r\n> HETATM 986 O2 LG1 2 1 10.407 -6.070 5.112 1.00 0.00 O \r\n> HETATM 987 C2 LG1 2 1 8.853 -5.013 8.039 1.00 0.00 C \r\n> HETATM 988 C3 LG1 2 1 10.890 -4.080 7.010 1.00 0.00 C \r\n> HETATM 989 C4 LG1 2 1 5.108 -11.170 4.711 1.00 0.00 C \r\n> HETATM 990 C5 LG1 2 1 6.914 -9.454 4.301 1.00 0.00 C \r\n> HETATM 991 C6 LG1 2 1 9.625 -5.956 6.025 1.00 0.00 C \r\n> HETATM 992 C7 LG1 2 1 5.923 -10.432 3.864 1.00 0.00 C \r\n> HETATM 993 C8 LG1 2 1 6.964 -8.626 5.361 1.00 0.00 C \r\n> HETATM 994 C9 LG1 2 1 12.054 -4.658 7.751 1.00 0.00 C \r\n> HETATM 995 C10 LG1 2 1 5.793 -10.659 2.511 1.00 0.00 C \r\n> HETATM 996 C11 LG1 2 1 4.878 -11.555 2.007 1.00 0.00 C \r\n> HETATM 997 O3 LG1 2 1 12.268 -5.849 7.803 1.00 0.00 O \r\n> HETATM 998 C12 LG1 2 1 4.209 -12.075 4.210 1.00 0.00 C \r\n> HETATM 999 C13 LG1 2 1 5.901 -8.548 6.419 1.00 0.00 C \r\n> HETATM 1000 C14 LG1 2 1 4.098 -12.278 2.867 1.00 0.00 C \r\n> HETATM 1001 C15 LG1 2 1 8.083 -7.730 5.410 1.00 0.00 C \r\n> HETATM 1002 H13 LG1 2 1 13.415 -4.079 8.721 1.00 0.00 H \r\n> HETATM 1003 H1 LG1 2 1 10.629 -3.242 7.424 1.00 0.00 H \r\n> HETATM 1004 H2 LG1 2 1 11.150 -3.895 6.095 1.00 0.00 H \r\n> HETATM 1005 H3 LG1 2 1 5.173 -11.048 5.629 1.00 0.00 H \r\n> HETATM 1006 H4 LG1 2 1 7.652 -9.390 3.739 1.00 0.00 H \r\n> HETATM 1007 H5 LG1 2 1 6.340 -10.193 1.920 1.00 0.00 H \r\n> HETATM 1008 H6 LG1 2 1 4.790 -11.670 1.089 1.00 0.00 H \r\n> HETATM 1009 H7 LG1 2 1 3.668 -12.555 4.794 1.00 0.00 H \r\n> HETATM 1010 H8 LG1 2 1 5.088 -8.936 6.086 1.00 0.00 H \r\n> HETATM 1011 H9 LG1 2 1 5.746 -7.629 6.650 1.00 0.00 H \r\n> HETATM 1012 H10 LG1 2 1 6.190 -9.029 7.198 1.00 0.00 H \r\n> HETATM 1013 H11 LG1 2 1 3.495 -12.905 2.538 1.00 0.00 H \r\n> HETATM 1014 H12 LG1 2 1 8.681 -7.836 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1016 S1 LG1 3 1 10.012 -0.915 -9.719 1.00 0.00 S \r\n> HETATM 1017 S2 LG1 3 1 11.181 1.309 -8.153 1.00 0.00 S \r\n> HETATM 1018 N1 LG1 3 1 12.101 0.351 -10.471 1.00 0.00 N \r\n> HETATM 1019 O1 LG1 3 1 15.123 1.596 -9.180 1.00 0.00 O \r\n> HETATM 1020 C1 LG1 3 1 10.768 -1.434 -11.213 1.00 0.00 C \r\n> HETATM 1021 O2 LG1 3 1 12.744 -0.733 -12.374 1.00 0.00 O \r\n> HETATM 1022 C2 LG1 3 1 11.190 0.324 -9.446 1.00 0.00 C \r\n> HETATM 1023 C3 LG1 3 1 13.227 1.258 -10.475 1.00 0.00 C \r\n> HETATM 1024 C4 LG1 3 1 7.445 -5.832 -12.775 1.00 0.00 C \r\n> HETATM 1025 C5 LG1 3 1 9.251 -4.116 -13.184 1.00 0.00 C \r\n> HETATM 1026 C6 LG1 3 1 11.962 -0.619 -11.460 1.00 0.00 C \r\n> HETATM 1027 C7 LG1 3 1 8.260 -5.095 -13.621 1.00 0.00 C \r\n> HETATM 1028 C8 LG1 3 1 9.301 -3.288 -12.125 1.00 0.00 C \r\n> HETATM 1029 C9 LG1 3 1 14.391 0.680 -9.734 1.00 0.00 C \r\n> HETATM 1030 C10 LG1 3 1 8.130 -5.322 -14.975 1.00 0.00 C \r\n> HETATM 1031 C11 LG1 3 1 7.215 -6.218 -15.478 1.00 0.00 C \r\n> HETATM 1032 O3 LG1 3 1 14.605 -0.511 -9.683 1.00 0.00 O \r\n> HETATM 1033 C12 LG1 3 1 6.546 -6.737 -13.275 1.00 0.00 C \r\n> HETATM 1034 C13 LG1 3 1 8.238 -3.210 -11.066 1.00 0.00 C \r\n> HETATM 1035 C14 LG1 3 1 6.435 -6.941 -14.619 1.00 0.00 C \r\n> HETATM 1036 C15 LG1 3 1 10.420 -2.392 -12.076 1.00 0.00 C \r\n> HETATM 1037 H13 LG1 3 1 15.752 1.259 -8.764 1.00 0.00 H \r\n> HETATM 1038 H1 LG1 3 1 12.966 2.095 -10.062 1.00 0.00 H \r\n> HETATM 1039 H2 LG1 3 1 13.487 1.443 -11.391 1.00 0.00 H \r\n> HETATM 1040 H3 LG1 3 1 7.510 -5.711 -11.856 1.00 0.00 H \r\n> HETATM 1041 H4 LG1 3 1 9.989 -4.052 -13.746 1.00 0.00 H \r\n> HETATM 1042 H5 LG1 3 1 8.677 -4.855 -15.565 1.00 0.00 H \r\n> HETATM 1043 H6 LG1 3 1 7.127 -6.332 -16.396 1.00 0.00 H \r\n> HETATM 1044 H7 LG1 3 1 6.005 -7.217 -12.691 1.00 0.00 H \r\n> HETATM 1045 H8 LG1 3 1 7.425 -3.599 -11.399 1.00 0.00 H \r\n> HETATM 1046 H9 LG1 3 1 8.083 -2.292 -10.836 1.00 0.00 H \r\n> HETATM 1047 H10 LG1 3 1 8.527 -3.692 -10.287 1.00 0.00 H \r\n> HETATM 1048 H11 LG1 3 1 5.832 -7.568 -14.947 1.00 0.00 H \r\n> HETATM 1049 H12 LG1 3 1 11.018 -2.498 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 1051 S1 LG1 4 1 7.675 -0.915 7.766 1.00 0.00 S \r\n> HETATM 1052 S2 LG1 4 1 8.844 1.309 9.333 1.00 0.00 S \r\n> HETATM 1053 N1 LG1 4 1 9.764 0.351 7.014 1.00 0.00 N \r\n> HETATM 1054 O1 LG1 4 1 12.786 1.596 8.305 1.00 0.00 O \r\n> HETATM 1055 C1 LG1 4 1 8.431 -1.434 6.273 1.00 0.00 C \r\n> HETATM 1056 O2 LG1 4 1 10.407 -0.733 5.112 1.00 0.00 O \r\n> HETATM 1057 C2 LG1 4 1 8.853 0.324 8.039 1.00 0.00 C \r\n> HETATM 1058 C3 LG1 4 1 10.890 1.258 7.010 1.00 0.00 C \r\n> HETATM 1059 C4 LG1 4 1 5.108 -5.832 4.711 1.00 0.00 C \r\n> HETATM 1060 C5 LG1 4 1 6.914 -4.116 4.301 1.00 0.00 C \r\n> HETATM 1061 C6 LG1 4 1 9.625 -0.619 6.025 1.00 0.00 C \r\n> HETATM 1062 C7 LG1 4 1 5.923 -5.095 3.864 1.00 0.00 C \r\n> HETATM 1063 C8 LG1 4 1 6.964 -3.288 5.361 1.00 0.00 C \r\n> HETATM 1064 C9 LG1 4 1 12.054 0.680 7.751 1.00 0.00 C \r\n> HETATM 1065 C10 LG1 4 1 5.793 -5.322 2.511 1.00 0.00 C \r\n> HETATM 1066 C11 LG1 4 1 4.878 -6.218 2.007 1.00 0.00 C \r\n> HETATM 1067 O3 LG1 4 1 12.268 -0.511 7.803 1.00 0.00 O \r\n> HETATM 1068 C12 LG1 4 1 4.209 -6.737 4.210 1.00 0.00 C \r\n> HETATM 1069 C13 LG1 4 1 5.901 -3.210 6.419 1.00 0.00 C \r\n> HETATM 1070 C14 LG1 4 1 4.098 -6.941 2.867 1.00 0.00 C \r\n> HETATM 1071 C15 LG1 4 1 8.083 -2.392 5.410 1.00 0.00 C \r\n> HETATM 1072 H13 LG1 4 1 13.415 1.259 8.721 1.00 0.00 H \r\n> HETATM 1073 H1 LG1 4 1 10.629 2.095 7.424 1.00 0.00 H \r\n> HETATM 1074 H2 LG1 4 1 11.150 1.443 6.095 1.00 0.00 H \r\n> HETATM 1075 H3 LG1 4 1 5.173 -5.711 5.629 1.00 0.00 H \r\n> HETATM 1076 H4 LG1 4 1 7.652 -4.052 3.739 1.00 0.00 H \r\n> HETATM 1077 H5 LG1 4 1 6.340 -4.855 1.920 1.00 0.00 H \r\n> HETATM 1078 H6 LG1 4 1 4.790 -6.332 1.089 1.00 0.00 H \r\n> HETATM 1079 H7 LG1 4 1 3.668 -7.217 4.794 1.00 0.00 H \r\n> HETATM 1080 H8 LG1 4 1 5.088 -3.599 6.086 1.00 0.00 H \r\n> HETATM 1081 H9 LG1 4 1 5.746 -2.292 6.650 1.00 0.00 H \r\n> HETATM 1082 H10 LG1 4 1 6.190 -3.692 7.198 1.00 0.00 H \r\n> HETATM 1083 H11 LG1 4 1 3.495 -7.568 2.538 1.00 0.00 H \r\n> HETATM 1084 H12 LG1 4 1 8.681 -2.498 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1086 S1 LG1 5 1 10.012 4.423 -9.719 1.00 0.00 S \r\n> HETATM 1087 S2 LG1 5 1 11.181 6.647 -8.153 1.00 0.00 S \r\n> HETATM 1088 N1 LG1 5 1 12.101 5.688 -10.471 1.00 0.00 N \r\n> HETATM 1089 O1 LG1 5 1 15.123 6.933 -9.180 1.00 0.00 O \r\n> HETATM 1090 C1 LG1 5 1 10.768 3.903 -11.213 1.00 0.00 C \r\n> HETATM 1091 O2 LG1 5 1 12.744 4.605 -12.374 1.00 0.00 O \r\n> HETATM 1092 C2 LG1 5 1 11.190 5.662 -9.446 1.00 0.00 C \r\n> HETATM 1093 C3 LG1 5 1 13.227 6.595 -10.475 1.00 0.00 C \r\n> HETATM 1094 C4 LG1 5 1 7.445 -0.495 -12.775 1.00 0.00 C \r\n> HETATM 1095 C5 LG1 5 1 9.251 1.221 -13.184 1.00 0.00 C \r\n> HETATM 1096 C6 LG1 5 1 11.962 4.718 -11.460 1.00 0.00 C \r\n> HETATM 1097 C7 LG1 5 1 8.260 0.242 -13.621 1.00 0.00 C \r\n> HETATM 1098 C8 LG1 5 1 9.301 2.049 -12.125 1.00 0.00 C \r\n> HETATM 1099 C9 LG1 5 1 14.391 6.017 -9.734 1.00 0.00 C \r\n> HETATM 1100 C10 LG1 5 1 8.130 0.016 -14.975 1.00 0.00 C \r\n> HETATM 1101 C11 LG1 5 1 7.215 -0.881 -15.478 1.00 0.00 C \r\n> HETATM 1102 O3 LG1 5 1 14.605 4.826 -9.683 1.00 0.00 O \r\n> HETATM 1103 C12 LG1 5 1 6.546 -1.400 -13.275 1.00 0.00 C \r\n> HETATM 1104 C13 LG1 5 1 8.238 2.127 -11.066 1.00 0.00 C \r\n> HETATM 1105 C14 LG1 5 1 6.435 -1.603 -14.619 1.00 0.00 C \r\n> HETATM 1106 C15 LG1 5 1 10.420 2.945 -12.076 1.00 0.00 C \r\n> HETATM 1107 H13 LG1 5 1 15.752 6.596 -8.764 1.00 0.00 H \r\n> HETATM 1108 H1 LG1 5 1 12.966 7.433 -10.062 1.00 0.00 H \r\n> HETATM 1109 H2 LG1 5 1 13.487 6.780 -11.391 1.00 0.00 H \r\n> HETATM 1110 H3 LG1 5 1 7.510 -0.373 -11.856 1.00 0.00 H \r\n> HETATM 1111 H4 LG1 5 1 9.989 1.285 -13.746 1.00 0.00 H \r\n> HETATM 1112 H5 LG1 5 1 8.677 0.482 -15.565 1.00 0.00 H \r\n> HETATM 1113 H6 LG1 5 1 7.127 -0.995 -16.396 1.00 0.00 H \r\n> HETATM 1114 H7 LG1 5 1 6.005 -1.880 -12.691 1.00 0.00 H \r\n> HETATM 1115 H8 LG1 5 1 7.425 1.739 -11.399 1.00 0.00 H \r\n> HETATM 1116 H9 LG1 5 1 8.083 3.046 -10.836 1.00 0.00 H \r\n> HETATM 1117 H10 LG1 5 1 8.527 1.646 -10.287 1.00 0.00 H \r\n> HETATM 1118 H11 LG1 5 1 5.832 -2.231 -14.947 1.00 0.00 H \r\n> HETATM 1119 H12 LG1 5 1 11.018 2.839 -12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 1121 S1 LG1 6 1 7.675 4.423 7.766 1.00 0.00 S \r\n> HETATM 1122 S2 LG1 6 1 8.844 6.647 9.333 1.00 0.00 S \r\n> HETATM 1123 N1 LG1 6 1 9.764 5.688 7.014 1.00 0.00 N \r\n> HETATM 1124 O1 LG1 6 1 12.786 6.933 8.305 1.00 0.00 O \r\n> HETATM 1125 C1 LG1 6 1 8.431 3.903 6.273 1.00 0.00 C \r\n> HETATM 1126 O2 LG1 6 1 10.407 4.605 5.112 1.00 0.00 O \r\n> HETATM 1127 C2 LG1 6 1 8.853 5.662 8.039 1.00 0.00 C \r\n> HETATM 1128 C3 LG1 6 1 10.890 6.595 7.010 1.00 0.00 C \r\n> HETATM 1129 C4 LG1 6 1 5.108 -0.495 4.711 1.00 0.00 C \r\n> HETATM 1130 C5 LG1 6 1 6.914 1.221 4.301 1.00 0.00 C \r\n> HETATM 1131 C6 LG1 6 1 9.625 4.718 6.025 1.00 0.00 C \r\n> HETATM 1132 C7 LG1 6 1 5.923 0.242 3.864 1.00 0.00 C \r\n> HETATM 1133 C8 LG1 6 1 6.964 2.049 5.361 1.00 0.00 C \r\n> HETATM 1134 C9 LG1 6 1 12.054 6.017 7.751 1.00 0.00 C \r\n> HETATM 1135 C10 LG1 6 1 5.793 0.016 2.511 1.00 0.00 C \r\n> HETATM 1136 C11 LG1 6 1 4.878 -0.881 2.007 1.00 0.00 C \r\n> HETATM 1137 O3 LG1 6 1 12.268 4.826 7.803 1.00 0.00 O \r\n> HETATM 1138 C12 LG1 6 1 4.209 -1.400 4.210 1.00 0.00 C \r\n> HETATM 1139 C13 LG1 6 1 5.901 2.127 6.419 1.00 0.00 C \r\n> HETATM 1140 C14 LG1 6 1 4.098 -1.603 2.867 1.00 0.00 C \r\n> HETATM 1141 C15 LG1 6 1 8.083 2.945 5.410 1.00 0.00 C \r\n> HETATM 1142 H13 LG1 6 1 13.415 6.596 8.721 1.00 0.00 H \r\n> HETATM 1143 H1 LG1 6 1 10.629 7.433 7.424 1.00 0.00 H \r\n> HETATM 1144 H2 LG1 6 1 11.150 6.780 6.095 1.00 0.00 H \r\n> HETATM 1145 H3 LG1 6 1 5.173 -0.373 5.629 1.00 0.00 H \r\n> HETATM 1146 H4 LG1 6 1 7.652 1.285 3.739 1.00 0.00 H \r\n> HETATM 1147 H5 LG1 6 1 6.340 0.482 1.920 1.00 0.00 H \r\n> HETATM 1148 H6 LG1 6 1 4.790 -0.995 1.089 1.00 0.00 H \r\n> HETATM 1149 H7 LG1 6 1 3.668 -1.880 4.794 1.00 0.00 H \r\n> HETATM 1150 H8 LG1 6 1 5.088 1.739 6.086 1.00 0.00 H \r\n> HETATM 1151 H9 LG1 6 1 5.746 3.046 6.650 1.00 0.00 H \r\n> HETATM 1152 H10 LG1 6 1 6.190 1.646 7.198 1.00 0.00 H \r\n> HETATM 1153 H11 LG1 6 1 3.495 -2.231 2.538 1.00 0.00 H \r\n> HETATM 1154 H12 LG1 6 1 8.681 2.839 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1156 S1 LG1 7 1 7.675 9.760 7.766 1.00 0.00 S \r\n> HETATM 1157 S2 LG1 7 1 8.844 11.984 9.333 1.00 0.00 S \r\n> HETATM 1158 N1 LG1 7 1 9.764 11.025 7.014 1.00 0.00 N \r\n> HETATM 1159 O1 LG1 7 1 12.786 12.271 8.305 1.00 0.00 O \r\n> HETATM 1160 C1 LG1 7 1 8.431 9.241 6.273 1.00 0.00 C \r\n> HETATM 1161 O2 LG1 7 1 10.407 9.942 5.112 1.00 0.00 O \r\n> HETATM 1162 C2 LG1 7 1 8.853 10.999 8.039 1.00 0.00 C \r\n> HETATM 1163 C3 LG1 7 1 10.890 11.933 7.010 1.00 0.00 C \r\n> HETATM 1164 C4 LG1 7 1 5.108 4.843 4.711 1.00 0.00 C \r\n> HETATM 1165 C5 LG1 7 1 6.914 6.559 4.301 1.00 0.00 C \r\n> HETATM 1166 C6 LG1 7 1 9.625 10.056 6.025 1.00 0.00 C \r\n> HETATM 1167 C7 LG1 7 1 5.923 5.580 3.864 1.00 0.00 C \r\n> HETATM 1168 C8 LG1 7 1 6.964 7.387 5.361 1.00 0.00 C \r\n> HETATM 1169 C9 LG1 7 1 12.054 11.355 7.751 1.00 0.00 C \r\n> HETATM 1170 C10 LG1 7 1 5.793 5.353 2.511 1.00 0.00 C \r\n> HETATM 1171 C11 LG1 7 1 4.878 4.457 2.007 1.00 0.00 C \r\n> HETATM 1172 O3 LG1 7 1 12.268 10.164 7.803 1.00 0.00 O \r\n> HETATM 1173 C12 LG1 7 1 4.209 3.938 4.210 1.00 0.00 C \r\n> HETATM 1174 C13 LG1 7 1 5.901 7.465 6.419 1.00 0.00 C \r\n> HETATM 1175 C14 LG1 7 1 4.098 3.734 2.867 1.00 0.00 C \r\n> HETATM 1176 C15 LG1 7 1 8.083 8.283 5.410 1.00 0.00 C \r\n> HETATM 1177 H13 LG1 7 1 13.415 11.934 8.721 1.00 0.00 H \r\n> HETATM 1178 H1 LG1 7 1 10.629 12.770 7.424 1.00 0.00 H \r\n> HETATM 1179 H2 LG1 7 1 11.150 12.118 6.095 1.00 0.00 H \r\n> HETATM 1180 H3 LG1 7 1 5.173 4.964 5.629 1.00 0.00 H \r\n> HETATM 1181 H4 LG1 7 1 7.652 6.623 3.739 1.00 0.00 H \r\n> HETATM 1182 H5 LG1 7 1 6.340 5.820 1.920 1.00 0.00 H \r\n> HETATM 1183 H6 LG1 7 1 4.790 4.343 1.089 1.00 0.00 H \r\n> HETATM 1184 H7 LG1 7 1 3.668 3.457 4.794 1.00 0.00 H \r\n> HETATM 1185 H8 LG1 7 1 5.088 7.076 6.086 1.00 0.00 H \r\n> HETATM 1186 H9 LG1 7 1 5.746 8.383 6.650 1.00 0.00 H \r\n> HETATM 1187 H10 LG1 7 1 6.190 6.983 7.198 1.00 0.00 H \r\n> HETATM 1188 H11 LG1 7 1 3.495 3.107 2.538 1.00 0.00 H \r\n> HETATM 1189 H12 LG1 7 1 8.681 8.177 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1191 S1 LG1 8 1 7.675 15.097 7.766 1.00 0.00 S \r\n> HETATM 1192 S2 LG1 8 1 8.844 17.322 9.333 1.00 0.00 S \r\n> HETATM 1193 N1 LG1 8 1 9.764 16.363 7.014 1.00 0.00 N \r\n> HETATM 1194 O1 LG1 8 1 12.786 17.608 8.305 1.00 0.00 O \r\n> HETATM 1195 C1 LG1 8 1 8.431 14.578 6.273 1.00 0.00 C \r\n> HETATM 1196 O2 LG1 8 1 10.407 15.280 5.112 1.00 0.00 O \r\n> HETATM 1197 C2 LG1 8 1 8.853 16.337 8.039 1.00 0.00 C \r\n> HETATM 1198 C3 LG1 8 1 10.890 17.270 7.010 1.00 0.00 C \r\n> HETATM 1199 C4 LG1 8 1 5.108 10.180 4.711 1.00 0.00 C \r\n> HETATM 1200 C5 LG1 8 1 6.914 11.896 4.301 1.00 0.00 C \r\n> HETATM 1201 C6 LG1 8 1 9.625 15.393 6.025 1.00 0.00 C \r\n> HETATM 1202 C7 LG1 8 1 5.923 10.917 3.864 1.00 0.00 C \r\n> HETATM 1203 C8 LG1 8 1 6.964 12.724 5.361 1.00 0.00 C \r\n> HETATM 1204 C9 LG1 8 1 12.054 16.692 7.751 1.00 0.00 C \r\n> HETATM 1205 C10 LG1 8 1 5.793 10.691 2.511 1.00 0.00 C \r\n> HETATM 1206 C11 LG1 8 1 4.878 9.794 2.007 1.00 0.00 C \r\n> HETATM 1207 O3 LG1 8 1 12.268 15.501 7.803 1.00 0.00 O \r\n> HETATM 1208 C12 LG1 8 1 4.209 9.275 4.210 1.00 0.00 C \r\n> HETATM 1209 C13 LG1 8 1 5.901 12.802 6.419 1.00 0.00 C \r\n> HETATM 1210 C14 LG1 8 1 4.098 9.071 2.867 1.00 0.00 C \r\n> HETATM 1211 C15 LG1 8 1 8.083 13.620 5.410 1.00 0.00 C \r\n> HETATM 1212 H13 LG1 8 1 13.415 17.271 8.721 1.00 0.00 H \r\n> HETATM 1213 H1 LG1 8 1 10.629 18.108 7.424 1.00 0.00 H \r\n> HETATM 1214 H2 LG1 8 1 11.150 17.455 6.095 1.00 0.00 H \r\n> HETATM 1215 H3 LG1 8 1 5.173 10.302 5.629 1.00 0.00 H \r\n> HETATM 1216 H4 LG1 8 1 7.652 11.960 3.739 1.00 0.00 H \r\n> HETATM 1217 H5 LG1 8 1 6.340 11.157 1.920 1.00 0.00 H \r\n> HETATM 1218 H6 LG1 8 1 4.790 9.680 1.089 1.00 0.00 H \r\n> HETATM 1219 H7 LG1 8 1 3.668 8.795 4.794 1.00 0.00 H \r\n> HETATM 1220 H8 LG1 8 1 5.088 12.414 6.086 1.00 0.00 H \r\n> HETATM 1221 H9 LG1 8 1 5.746 13.721 6.650 1.00 0.00 H \r\n> HETATM 1222 H10 LG1 8 1 6.190 12.320 7.198 1.00 0.00 H \r\n> HETATM 1223 H11 LG1 8 1 3.495 8.444 2.538 1.00 0.00 H \r\n> HETATM 1224 H12 LG1 8 1 8.681 13.514 4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1226 S1 LG1 9 1 -13.236 -7.089 -0.977 1.00 0.00 S \r\n> HETATM 1227 S2 LG1 9 1 -12.067 -9.313 0.590 1.00 0.00 S \r\n> HETATM 1228 N1 LG1 9 1 -11.147 -8.354 -1.729 1.00 0.00 N \r\n> HETATM 1229 O1 LG1 9 1 -8.125 -9.599 -0.437 1.00 0.00 O \r\n> HETATM 1230 C1 LG1 9 1 -12.480 -6.569 -2.470 1.00 0.00 C \r\n> HETATM 1231 O2 LG1 9 1 -10.503 -7.271 -3.631 1.00 0.00 O \r\n> HETATM 1232 C2 LG1 9 1 -12.058 -8.328 -0.703 1.00 0.00 C \r\n> HETATM 1233 C3 LG1 9 1 -10.021 -9.262 -1.732 1.00 0.00 C \r\n> HETATM 1234 C4 LG1 9 1 -15.803 -2.171 -4.032 1.00 0.00 C \r\n> HETATM 1235 C5 LG1 9 1 -13.997 -3.888 -4.442 1.00 0.00 C \r\n> HETATM 1236 C6 LG1 9 1 -11.286 -7.385 -2.718 1.00 0.00 C \r\n> HETATM 1237 C7 LG1 9 1 -14.988 -2.909 -4.879 1.00 0.00 C \r\n> HETATM 1238 C8 LG1 9 1 -13.947 -4.715 -3.382 1.00 0.00 C \r\n> HETATM 1239 C9 LG1 9 1 -8.857 -8.683 -0.991 1.00 0.00 C \r\n> HETATM 1240 C10 LG1 9 1 -15.118 -2.682 -6.232 1.00 0.00 C \r\n> HETATM 1241 C11 LG1 9 1 -16.033 -1.786 -6.736 1.00 0.00 C \r\n> HETATM 1242 O3 LG1 9 1 -8.643 -7.492 -0.940 1.00 0.00 O \r\n> HETATM 1243 C12 LG1 9 1 -16.702 -1.267 -4.533 1.00 0.00 C \r\n> HETATM 1244 C13 LG1 9 1 -15.010 -4.794 -2.324 1.00 0.00 C \r\n> HETATM 1245 C14 LG1 9 1 -16.812 -1.063 -5.876 1.00 0.00 C \r\n> HETATM 1246 C15 LG1 9 1 -12.828 -5.612 -3.333 1.00 0.00 C \r\n> HETATM 1247 H13 LG1 9 1 -7.495 -9.263 -0.021 1.00 0.00 H \r\n> HETATM 1248 H1 LG1 9 1 -10.282 -10.099 -1.319 1.00 0.00 H \r\n> HETATM 1249 H2 LG1 9 1 -9.761 -9.446 -2.648 1.00 0.00 H \r\n> HETATM 1250 H3 LG1 9 1 -15.737 -2.293 -3.113 1.00 0.00 H \r\n> HETATM 1251 H4 LG1 9 1 -13.259 -3.951 -5.003 1.00 0.00 H \r\n> HETATM 1252 H5 LG1 9 1 -14.571 -3.148 -6.823 1.00 0.00 H \r\n> HETATM 1253 H6 LG1 9 1 -16.121 -1.671 -7.653 1.00 0.00 H \r\n> HETATM 1254 H7 LG1 9 1 -17.243 -0.786 -3.948 1.00 0.00 H \r\n> HETATM 1255 H8 LG1 9 1 -15.823 -4.405 -2.657 1.00 0.00 H \r\n> HETATM 1256 H9 LG1 9 1 -15.165 -5.712 -2.093 1.00 0.00 H \r\n> HETATM 1257 H10 LG1 9 1 -14.720 -4.312 -1.545 1.00 0.00 H \r\n> HETATM 1258 H11 LG1 9 1 -17.415 -0.436 -6.205 1.00 0.00 H \r\n> HETATM 1259 H12 LG1 9 1 -12.230 -5.505 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1261 S1 LG1 a 1 -13.236 -1.751 -0.977 1.00 0.00 S \r\n> HETATM 1262 S2 LG1 a 1 -12.067 -3.975 0.590 1.00 0.00 S \r\n> HETATM 1263 N1 LG1 a 1 -11.147 -3.017 -1.729 1.00 0.00 N \r\n> HETATM 1264 O1 LG1 a 1 -8.125 -4.262 -0.437 1.00 0.00 O \r\n> HETATM 1265 C1 LG1 a 1 -12.480 -1.232 -2.470 1.00 0.00 C \r\n> HETATM 1266 O2 LG1 a 1 -10.503 -1.934 -3.631 1.00 0.00 O \r\n> HETATM 1267 C2 LG1 a 1 -12.058 -2.991 -0.703 1.00 0.00 C \r\n> HETATM 1268 C3 LG1 a 1 -10.021 -3.924 -1.732 1.00 0.00 C \r\n> HETATM 1269 C4 LG1 a 1 -15.803 3.166 -4.032 1.00 0.00 C \r\n> HETATM 1270 C5 LG1 a 1 -13.997 1.450 -4.442 1.00 0.00 C \r\n> HETATM 1271 C6 LG1 a 1 -11.286 -2.047 -2.718 1.00 0.00 C \r\n> HETATM 1272 C7 LG1 a 1 -14.988 2.429 -4.879 1.00 0.00 C \r\n> HETATM 1273 C8 LG1 a 1 -13.947 0.622 -3.382 1.00 0.00 C \r\n> HETATM 1274 C9 LG1 a 1 -8.857 -3.346 -0.991 1.00 0.00 C \r\n> HETATM 1275 C10 LG1 a 1 -15.118 2.655 -6.232 1.00 0.00 C \r\n> HETATM 1276 C11 LG1 a 1 -16.033 3.552 -6.736 1.00 0.00 C \r\n> HETATM 1277 O3 LG1 a 1 -8.643 -2.155 -0.940 1.00 0.00 O \r\n> HETATM 1278 C12 LG1 a 1 -16.702 4.071 -4.533 1.00 0.00 C \r\n> HETATM 1279 C13 LG1 a 1 -15.010 0.544 -2.324 1.00 0.00 C \r\n> HETATM 1280 C14 LG1 a 1 -16.812 4.275 -5.876 1.00 0.00 C \r\n> HETATM 1281 C15 LG1 a 1 -12.828 -0.274 -3.333 1.00 0.00 C \r\n> HETATM 1282 H13 LG1 a 1 -7.495 -3.925 -0.021 1.00 0.00 H \r\n> HETATM 1283 H1 LG1 a 1 -10.282 -4.762 -1.319 1.00 0.00 H \r\n> HETATM 1284 H2 LG1 a 1 -9.761 -4.109 -2.648 1.00 0.00 H \r\n> HETATM 1285 H3 LG1 a 1 -15.737 3.045 -3.113 1.00 0.00 H \r\n> HETATM 1286 H4 LG1 a 1 -13.259 1.386 -5.003 1.00 0.00 H \r\n> HETATM 1287 H5 LG1 a 1 -14.571 2.189 -6.823 1.00 0.00 H \r\n> HETATM 1288 H6 LG1 a 1 -16.121 3.666 -7.653 1.00 0.00 H \r\n> HETATM 1289 H7 LG1 a 1 -17.243 4.551 -3.948 1.00 0.00 H \r\n> HETATM 1290 H8 LG1 a 1 -15.823 0.933 -2.657 1.00 0.00 H \r\n> HETATM 1291 H9 LG1 a 1 -15.165 -0.375 -2.093 1.00 0.00 H \r\n> HETATM 1292 H10 LG1 a 1 -14.720 1.026 -1.545 1.00 0.00 H \r\n> HETATM 1293 H11 LG1 a 1 -17.415 4.902 -6.205 1.00 0.00 H \r\n> HETATM 1294 H12 LG1 a 1 -12.230 -0.168 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1296 S1 LG1 b 1 -13.236 3.586 -0.977 1.00 0.00 S \r\n> HETATM 1297 S2 LG1 b 1 -12.067 1.362 0.590 1.00 0.00 S \r\n> HETATM 1298 N1 LG1 b 1 -11.147 2.321 -1.729 1.00 0.00 N \r\n> HETATM 1299 O1 LG1 b 1 -8.125 1.076 -0.437 1.00 0.00 O \r\n> HETATM 1300 C1 LG1 b 1 -12.480 4.106 -2.470 1.00 0.00 C \r\n> HETATM 1301 O2 LG1 b 1 -10.503 3.404 -3.631 1.00 0.00 O \r\n> HETATM 1302 C2 LG1 b 1 -12.058 2.347 -0.703 1.00 0.00 C \r\n> HETATM 1303 C3 LG1 b 1 -10.021 1.413 -1.732 1.00 0.00 C \r\n> HETATM 1304 C4 LG1 b 1 -15.803 8.504 -4.032 1.00 0.00 C \r\n> HETATM 1305 C5 LG1 b 1 -13.997 6.787 -4.442 1.00 0.00 C \r\n> HETATM 1306 C6 LG1 b 1 -11.286 3.290 -2.718 1.00 0.00 C \r\n> HETATM 1307 C7 LG1 b 1 -14.988 7.766 -4.879 1.00 0.00 C \r\n> HETATM 1308 C8 LG1 b 1 -13.947 5.960 -3.382 1.00 0.00 C \r\n> HETATM 1309 C9 LG1 b 1 -8.857 1.991 -0.991 1.00 0.00 C \r\n> HETATM 1310 C10 LG1 b 1 -15.118 7.993 -6.232 1.00 0.00 C \r\n> HETATM 1311 C11 LG1 b 1 -16.033 8.889 -6.736 1.00 0.00 C \r\n> HETATM 1312 O3 LG1 b 1 -8.643 3.183 -0.940 1.00 0.00 O \r\n> HETATM 1313 C12 LG1 b 1 -16.702 9.408 -4.533 1.00 0.00 C \r\n> HETATM 1314 C13 LG1 b 1 -15.010 5.881 -2.324 1.00 0.00 C \r\n> HETATM 1315 C14 LG1 b 1 -16.812 9.612 -5.876 1.00 0.00 C \r\n> HETATM 1316 C15 LG1 b 1 -12.828 5.063 -3.333 1.00 0.00 C \r\n> HETATM 1317 H13 LG1 b 1 -7.495 1.412 -0.021 1.00 0.00 H \r\n> HETATM 1318 H1 LG1 b 1 -10.282 0.576 -1.319 1.00 0.00 H \r\n> HETATM 1319 H2 LG1 b 1 -9.761 1.229 -2.648 1.00 0.00 H \r\n> HETATM 1320 H3 LG1 b 1 -15.737 8.382 -3.113 1.00 0.00 H \r\n> HETATM 1321 H4 LG1 b 1 -13.259 6.723 -5.003 1.00 0.00 H \r\n> HETATM 1322 H5 LG1 b 1 -14.571 7.527 -6.823 1.00 0.00 H \r\n> HETATM 1323 H6 LG1 b 1 -16.121 9.004 -7.653 1.00 0.00 H \r\n> HETATM 1324 H7 LG1 b 1 -17.243 9.889 -3.948 1.00 0.00 H \r\n> HETATM 1325 H8 LG1 b 1 -15.823 6.270 -2.657 1.00 0.00 H \r\n> HETATM 1326 H9 LG1 b 1 -15.165 4.963 -2.093 1.00 0.00 H \r\n> HETATM 1327 H10 LG1 b 1 -14.720 6.363 -1.545 1.00 0.00 H \r\n> HETATM 1328 H11 LG1 b 1 -17.415 10.239 -6.205 1.00 0.00 H \r\n> HETATM 1329 H12 LG1 b 1 -12.230 5.170 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1331 S1 LG1 c 1 -13.236 8.924 -0.977 1.00 0.00 S \r\n> HETATM 1332 S2 LG1 c 1 -12.067 6.699 0.590 1.00 0.00 S \r\n> HETATM 1333 N1 LG1 c 1 -11.147 7.658 -1.729 1.00 0.00 N \r\n> HETATM 1334 O1 LG1 c 1 -8.125 6.413 -0.437 1.00 0.00 O \r\n> HETATM 1335 C1 LG1 c 1 -12.480 9.443 -2.470 1.00 0.00 C \r\n> HETATM 1336 O2 LG1 c 1 -10.503 8.741 -3.631 1.00 0.00 O \r\n> HETATM 1337 C2 LG1 c 1 -12.058 7.684 -0.703 1.00 0.00 C \r\n> HETATM 1338 C3 LG1 c 1 -10.021 6.751 -1.732 1.00 0.00 C \r\n> HETATM 1339 C4 LG1 c 1 -15.803 13.841 -4.032 1.00 0.00 C \r\n> HETATM 1340 C5 LG1 c 1 -13.997 12.125 -4.442 1.00 0.00 C \r\n> HETATM 1341 C6 LG1 c 1 -11.286 8.628 -2.718 1.00 0.00 C \r\n> HETATM 1342 C7 LG1 c 1 -14.988 13.104 -4.879 1.00 0.00 C \r\n> HETATM 1343 C8 LG1 c 1 -13.947 11.297 -3.382 1.00 0.00 C \r\n> HETATM 1344 C9 LG1 c 1 -8.857 7.329 -0.991 1.00 0.00 C \r\n> HETATM 1345 C10 LG1 c 1 -15.118 13.330 -6.232 1.00 0.00 C \r\n> HETATM 1346 C11 LG1 c 1 -16.033 14.227 -6.736 1.00 0.00 C \r\n> HETATM 1347 O3 LG1 c 1 -8.643 8.520 -0.940 1.00 0.00 O \r\n> HETATM 1348 C12 LG1 c 1 -16.702 14.746 -4.533 1.00 0.00 C \r\n> HETATM 1349 C13 LG1 c 1 -15.010 11.219 -2.324 1.00 0.00 C \r\n> HETATM 1350 C14 LG1 c 1 -16.812 14.950 -5.876 1.00 0.00 C \r\n> HETATM 1351 C15 LG1 c 1 -12.828 10.401 -3.333 1.00 0.00 C \r\n> HETATM 1352 H13 LG1 c 1 -7.495 6.750 -0.021 1.00 0.00 H \r\n> HETATM 1353 H1 LG1 c 1 -10.282 5.913 -1.319 1.00 0.00 H \r\n> HETATM 1354 H2 LG1 c 1 -9.761 6.566 -2.648 1.00 0.00 H \r\n> HETATM 1355 H3 LG1 c 1 -15.737 13.720 -3.113 1.00 0.00 H \r\n> HETATM 1356 H4 LG1 c 1 -13.259 12.061 -5.003 1.00 0.00 H \r\n> HETATM 1357 H5 LG1 c 1 -14.571 12.864 -6.823 1.00 0.00 H \r\n> HETATM 1358 H6 LG1 c 1 -16.121 14.341 -7.653 1.00 0.00 H \r\n> HETATM 1359 H7 LG1 c 1 -17.243 15.226 -3.948 1.00 0.00 H \r\n> HETATM 1360 H8 LG1 c 1 -15.823 11.608 -2.657 1.00 0.00 H \r\n> HETATM 1361 H9 LG1 c 1 -15.165 10.300 -2.093 1.00 0.00 H \r\n> HETATM 1362 H10 LG1 c 1 -14.720 11.701 -1.545 1.00 0.00 H \r\n> HETATM 1363 H11 LG1 c 1 -17.415 15.577 -6.205 1.00 0.00 H \r\n> HETATM 1364 H12 LG1 c 1 -12.230 10.507 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1366 S1 LG1 d 1 3.821 -12.426 -18.462 1.00 0.00 S \r\n> HETATM 1367 S2 LG1 d 1 4.990 -14.650 -16.895 1.00 0.00 S \r\n> HETATM 1368 N1 LG1 d 1 5.910 -13.692 -19.214 1.00 0.00 N \r\n> HETATM 1369 O1 LG1 d 1 8.931 -14.937 -17.923 1.00 0.00 O \r\n> HETATM 1370 C1 LG1 d 1 4.577 -11.907 -19.956 1.00 0.00 C \r\n> HETATM 1371 O2 LG1 d 1 6.553 -12.609 -21.116 1.00 0.00 O \r\n> HETATM 1372 C2 LG1 d 1 4.999 -13.665 -18.189 1.00 0.00 C \r\n> HETATM 1373 C3 LG1 d 1 7.035 -14.599 -19.218 1.00 0.00 C \r\n> HETATM 1374 C4 LG1 d 1 1.254 -7.509 -21.518 1.00 0.00 C \r\n> HETATM 1375 C5 LG1 d 1 3.060 -9.225 -21.927 1.00 0.00 C \r\n> HETATM 1376 C6 LG1 d 1 5.770 -12.722 -20.203 1.00 0.00 C \r\n> HETATM 1377 C7 LG1 d 1 2.069 -8.246 -22.364 1.00 0.00 C \r\n> HETATM 1378 C8 LG1 d 1 3.110 -10.053 -20.868 1.00 0.00 C \r\n> HETATM 1379 C9 LG1 d 1 8.200 -14.021 -18.477 1.00 0.00 C \r\n> HETATM 1380 C10 LG1 d 1 1.939 -8.020 -23.718 1.00 0.00 C \r\n> HETATM 1381 C11 LG1 d 1 1.024 -7.123 -24.221 1.00 0.00 C \r\n> HETATM 1382 O3 LG1 d 1 8.414 -12.830 -18.426 1.00 0.00 O \r\n> HETATM 1383 C12 LG1 d 1 0.355 -6.604 -22.018 1.00 0.00 C \r\n> HETATM 1384 C13 LG1 d 1 2.047 -10.131 -19.809 1.00 0.00 C \r\n> HETATM 1385 C14 LG1 d 1 0.244 -6.400 -23.361 1.00 0.00 C \r\n> HETATM 1386 C15 LG1 d 1 4.228 -10.949 -20.819 1.00 0.00 C \r\n> HETATM 1387 H13 LG1 d 1 9.561 -14.600 -17.507 1.00 0.00 H \r\n> HETATM 1388 H1 LG1 d 1 6.774 -15.437 -18.805 1.00 0.00 H \r\n> HETATM 1389 H2 LG1 d 1 7.295 -14.784 -20.133 1.00 0.00 H \r\n> HETATM 1390 H3 LG1 d 1 1.319 -7.630 -20.599 1.00 0.00 H \r\n> HETATM 1391 H4 LG1 d 1 3.798 -9.289 -22.489 1.00 0.00 H \r\n> HETATM 1392 H5 LG1 d 1 2.486 -8.486 -24.308 1.00 0.00 H \r\n> HETATM 1393 H6 LG1 d 1 0.935 -7.009 -25.139 1.00 0.00 H \r\n> HETATM 1394 H7 LG1 d 1 -0.186 -6.124 -21.434 1.00 0.00 H \r\n> HETATM 1395 H8 LG1 d 1 1.234 -9.742 -20.142 1.00 0.00 H \r\n> HETATM 1396 H9 LG1 d 1 1.892 -11.050 -19.578 1.00 0.00 H \r\n> HETATM 1397 H10 LG1 d 1 2.336 -9.649 -19.030 1.00 0.00 H \r\n> HETATM 1398 H11 LG1 d 1 -0.359 -5.773 -23.690 1.00 0.00 H \r\n> HETATM 1399 H12 LG1 d 1 4.827 -10.843 -21.524 1.00 0.00 H \r\n> TER \r\n> HETATM 1401 S1 LG1 e 1 1.484 -12.426 -0.977 1.00 0.00 S \r\n> HETATM 1402 S2 LG1 e 1 2.653 -14.650 0.590 1.00 0.00 S \r\n> HETATM 1403 N1 LG1 e 1 3.573 -13.692 -1.729 1.00 0.00 N \r\n> HETATM 1404 O1 LG1 e 1 6.594 -14.937 -0.437 1.00 0.00 O \r\n> HETATM 1405 C1 LG1 e 1 2.240 -11.907 -2.470 1.00 0.00 C \r\n> HETATM 1406 O2 LG1 e 1 4.216 -12.609 -3.631 1.00 0.00 O \r\n> HETATM 1407 C2 LG1 e 1 2.662 -13.665 -0.703 1.00 0.00 C \r\n> HETATM 1408 C3 LG1 e 1 4.698 -14.599 -1.732 1.00 0.00 C \r\n> HETATM 1409 C4 LG1 e 1 -1.083 -7.509 -4.032 1.00 0.00 C \r\n> HETATM 1410 C5 LG1 e 1 0.723 -9.225 -4.442 1.00 0.00 C \r\n> HETATM 1411 C6 LG1 e 1 3.433 -12.722 -2.718 1.00 0.00 C \r\n> HETATM 1412 C7 LG1 e 1 -0.268 -8.246 -4.879 1.00 0.00 C \r\n> HETATM 1413 C8 LG1 e 1 0.773 -10.053 -3.382 1.00 0.00 C \r\n> HETATM 1414 C9 LG1 e 1 5.863 -14.021 -0.991 1.00 0.00 C \r\n> HETATM 1415 C10 LG1 e 1 -0.398 -8.020 -6.232 1.00 0.00 C \r\n> HETATM 1416 C11 LG1 e 1 -1.313 -7.123 -6.736 1.00 0.00 C \r\n> HETATM 1417 O3 LG1 e 1 6.077 -12.830 -0.940 1.00 0.00 O \r\n> HETATM 1418 C12 LG1 e 1 -1.982 -6.604 -4.533 1.00 0.00 C \r\n> HETATM 1419 C13 LG1 e 1 -0.290 -10.131 -2.324 1.00 0.00 C \r\n> HETATM 1420 C14 LG1 e 1 -2.093 -6.400 -5.876 1.00 0.00 C \r\n> HETATM 1421 C15 LG1 e 1 1.891 -10.949 -3.333 1.00 0.00 C \r\n> HETATM 1422 H13 LG1 e 1 7.224 -14.600 -0.021 1.00 0.00 H \r\n> HETATM 1423 H1 LG1 e 1 4.437 -15.437 -1.319 1.00 0.00 H \r\n> HETATM 1424 H2 LG1 e 1 4.958 -14.784 -2.648 1.00 0.00 H \r\n> HETATM 1425 H3 LG1 e 1 -1.018 -7.630 -3.113 1.00 0.00 H \r\n> HETATM 1426 H4 LG1 e 1 1.461 -9.289 -5.003 1.00 0.00 H \r\n> HETATM 1427 H5 LG1 e 1 0.149 -8.486 -6.823 1.00 0.00 H \r\n> HETATM 1428 H6 LG1 e 1 -1.402 -7.009 -7.653 1.00 0.00 H \r\n> HETATM 1429 H7 LG1 e 1 -2.523 -6.124 -3.948 1.00 0.00 H \r\n> HETATM 1430 H8 LG1 e 1 -1.103 -9.742 -2.657 1.00 0.00 H \r\n> HETATM 1431 H9 LG1 e 1 -0.445 -11.050 -2.093 1.00 0.00 H \r\n> HETATM 1432 H10 LG1 e 1 -0.001 -9.649 -1.545 1.00 0.00 H \r\n> HETATM 1433 H11 LG1 e 1 -2.696 -5.773 -6.205 1.00 0.00 H \r\n> HETATM 1434 H12 LG1 e 1 2.490 -10.843 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1436 S1 LG1 f 1 3.821 -7.089 -18.462 1.00 0.00 S \r\n> HETATM 1437 S2 LG1 f 1 4.990 -9.313 -16.895 1.00 0.00 S \r\n> HETATM 1438 N1 LG1 f 1 5.910 -8.354 -19.214 1.00 0.00 N \r\n> HETATM 1439 O1 LG1 f 1 8.931 -9.599 -17.923 1.00 0.00 O \r\n> HETATM 1440 C1 LG1 f 1 4.577 -6.569 -19.956 1.00 0.00 C \r\n> HETATM 1441 O2 LG1 f 1 6.553 -7.271 -21.116 1.00 0.00 O \r\n> HETATM 1442 C2 LG1 f 1 4.999 -8.328 -18.189 1.00 0.00 C \r\n> HETATM 1443 C3 LG1 f 1 7.035 -9.262 -19.218 1.00 0.00 C \r\n> HETATM 1444 C4 LG1 f 1 1.254 -2.171 -21.518 1.00 0.00 C \r\n> HETATM 1445 C5 LG1 f 1 3.060 -3.888 -21.927 1.00 0.00 C \r\n> HETATM 1446 C6 LG1 f 1 5.770 -7.385 -20.203 1.00 0.00 C \r\n> HETATM 1447 C7 LG1 f 1 2.069 -2.909 -22.364 1.00 0.00 C \r\n> HETATM 1448 C8 LG1 f 1 3.110 -4.715 -20.868 1.00 0.00 C \r\n> HETATM 1449 C9 LG1 f 1 8.200 -8.683 -18.477 1.00 0.00 C \r\n> HETATM 1450 C10 LG1 f 1 1.939 -2.682 -23.718 1.00 0.00 C \r\n> HETATM 1451 C11 LG1 f 1 1.024 -1.786 -24.221 1.00 0.00 C \r\n> HETATM 1452 O3 LG1 f 1 8.414 -7.492 -18.426 1.00 0.00 O \r\n> HETATM 1453 C12 LG1 f 1 0.355 -1.267 -22.018 1.00 0.00 C \r\n> HETATM 1454 C13 LG1 f 1 2.047 -4.794 -19.809 1.00 0.00 C \r\n> HETATM 1455 C14 LG1 f 1 0.244 -1.063 -23.361 1.00 0.00 C \r\n> HETATM 1456 C15 LG1 f 1 4.228 -5.612 -20.819 1.00 0.00 C \r\n> HETATM 1457 H13 LG1 f 1 9.561 -9.263 -17.507 1.00 0.00 H \r\n> HETATM 1458 H1 LG1 f 1 6.774 -10.099 -18.805 1.00 0.00 H \r\n> HETATM 1459 H2 LG1 f 1 7.295 -9.446 -20.133 1.00 0.00 H \r\n> HETATM 1460 H3 LG1 f 1 1.319 -2.293 -20.599 1.00 0.00 H \r\n> HETATM 1461 H4 LG1 f 1 3.798 -3.951 -22.489 1.00 0.00 H \r\n> HETATM 1462 H5 LG1 f 1 2.486 -3.148 -24.308 1.00 0.00 H \r\n> HETATM 1463 H6 LG1 f 1 0.935 -1.671 -25.139 1.00 0.00 H \r\n> HETATM 1464 H7 LG1 f 1 -0.186 -0.786 -21.434 1.00 0.00 H \r\n> HETATM 1465 H8 LG1 f 1 1.234 -4.405 -20.142 1.00 0.00 H \r\n> HETATM 1466 H9 LG1 f 1 1.892 -5.712 -19.578 1.00 0.00 H \r\n> HETATM 1467 H10 LG1 f 1 2.336 -4.312 -19.030 1.00 0.00 H \r\n> HETATM 1468 H11 LG1 f 1 -0.359 -0.436 -23.690 1.00 0.00 H \r\n> HETATM 1469 H12 LG1 f 1 4.827 -5.505 -21.524 1.00 0.00 H \r\n> TER \r\n> HETATM 1471 S1 LG1 g 1 1.484 -7.089 -0.977 1.00 0.00 S \r\n> HETATM 1472 S2 LG1 g 1 2.653 -9.313 0.590 1.00 0.00 S \r\n> HETATM 1473 N1 LG1 g 1 3.573 -8.354 -1.729 1.00 0.00 N \r\n> HETATM 1474 O1 LG1 g 1 6.594 -9.599 -0.437 1.00 0.00 O \r\n> HETATM 1475 C1 LG1 g 1 2.240 -6.569 -2.470 1.00 0.00 C \r\n> HETATM 1476 O2 LG1 g 1 4.216 -7.271 -3.631 1.00 0.00 O \r\n> HETATM 1477 C2 LG1 g 1 2.662 -8.328 -0.703 1.00 0.00 C \r\n> HETATM 1478 C3 LG1 g 1 4.698 -9.262 -1.732 1.00 0.00 C \r\n> HETATM 1479 C4 LG1 g 1 -1.083 -2.171 -4.032 1.00 0.00 C \r\n> HETATM 1480 C5 LG1 g 1 0.723 -3.888 -4.442 1.00 0.00 C \r\n> HETATM 1481 C6 LG1 g 1 3.433 -7.385 -2.718 1.00 0.00 C \r\n> HETATM 1482 C7 LG1 g 1 -0.268 -2.909 -4.879 1.00 0.00 C \r\n> HETATM 1483 C8 LG1 g 1 0.773 -4.715 -3.382 1.00 0.00 C \r\n> HETATM 1484 C9 LG1 g 1 5.863 -8.683 -0.991 1.00 0.00 C \r\n> HETATM 1485 C10 LG1 g 1 -0.398 -2.682 -6.232 1.00 0.00 C \r\n> HETATM 1486 C11 LG1 g 1 -1.313 -1.786 -6.736 1.00 0.00 C \r\n> HETATM 1487 O3 LG1 g 1 6.077 -7.492 -0.940 1.00 0.00 O \r\n> HETATM 1488 C12 LG1 g 1 -1.982 -1.267 -4.533 1.00 0.00 C \r\n> HETATM 1489 C13 LG1 g 1 -0.290 -4.794 -2.324 1.00 0.00 C \r\n> HETATM 1490 C14 LG1 g 1 -2.093 -1.063 -5.876 1.00 0.00 C \r\n> HETATM 1491 C15 LG1 g 1 1.891 -5.612 -3.333 1.00 0.00 C \r\n> HETATM 1492 H13 LG1 g 1 7.224 -9.263 -0.021 1.00 0.00 H \r\n> HETATM 1493 H1 LG1 g 1 4.437 -10.099 -1.319 1.00 0.00 H \r\n> HETATM 1494 H2 LG1 g 1 4.958 -9.446 -2.648 1.00 0.00 H \r\n> HETATM 1495 H3 LG1 g 1 -1.018 -2.293 -3.113 1.00 0.00 H \r\n> HETATM 1496 H4 LG1 g 1 1.461 -3.951 -5.003 1.00 0.00 H \r\n> HETATM 1497 H5 LG1 g 1 0.149 -3.148 -6.823 1.00 0.00 H \r\n> HETATM 1498 H6 LG1 g 1 -1.402 -1.671 -7.653 1.00 0.00 H \r\n> HETATM 1499 H7 LG1 g 1 -2.523 -0.786 -3.948 1.00 0.00 H \r\n> HETATM 1500 H8 LG1 g 1 -1.103 -4.405 -2.657 1.00 0.00 H \r\n> HETATM 1501 H9 LG1 g 1 -0.445 -5.712 -2.093 1.00 0.00 H \r\n> HETATM 1502 H10 LG1 g 1 -0.001 -4.312 -1.545 1.00 0.00 H \r\n> HETATM 1503 H11 LG1 g 1 -2.696 -0.436 -6.205 1.00 0.00 H \r\n> HETATM 1504 H12 LG1 g 1 2.490 -5.505 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1506 S1 LG1 h 1 3.821 -1.751 -18.462 1.00 0.00 S \r\n> HETATM 1507 S2 LG1 h 1 4.990 -3.975 -16.895 1.00 0.00 S \r\n> HETATM 1508 N1 LG1 h 1 5.910 -3.017 -19.214 1.00 0.00 N \r\n> HETATM 1509 O1 LG1 h 1 8.931 -4.262 -17.923 1.00 0.00 O \r\n> HETATM 1510 C1 LG1 h 1 4.577 -1.232 -19.956 1.00 0.00 C \r\n> HETATM 1511 O2 LG1 h 1 6.553 -1.934 -21.116 1.00 0.00 O \r\n> HETATM 1512 C2 LG1 h 1 4.999 -2.991 -18.189 1.00 0.00 C \r\n> HETATM 1513 C3 LG1 h 1 7.035 -3.924 -19.218 1.00 0.00 C \r\n> HETATM 1514 C4 LG1 h 1 1.254 3.166 -21.518 1.00 0.00 C \r\n> HETATM 1515 C5 LG1 h 1 3.060 1.450 -21.927 1.00 0.00 C \r\n> HETATM 1516 C6 LG1 h 1 5.770 -2.047 -20.203 1.00 0.00 C \r\n> HETATM 1517 C7 LG1 h 1 2.069 2.429 -22.364 1.00 0.00 C \r\n> HETATM 1518 C8 LG1 h 1 3.110 0.622 -20.868 1.00 0.00 C \r\n> HETATM 1519 C9 LG1 h 1 8.200 -3.346 -18.477 1.00 0.00 C \r\n> HETATM 1520 C10 LG1 h 1 1.939 2.655 -23.718 1.00 0.00 C \r\n> HETATM 1521 C11 LG1 h 1 1.024 3.552 -24.221 1.00 0.00 C \r\n> HETATM 1522 O3 LG1 h 1 8.414 -2.155 -18.426 1.00 0.00 O \r\n> HETATM 1523 C12 LG1 h 1 0.355 4.071 -22.018 1.00 0.00 C \r\n> HETATM 1524 C13 LG1 h 1 2.047 0.544 -19.809 1.00 0.00 C \r\n> HETATM 1525 C14 LG1 h 1 0.244 4.275 -23.361 1.00 0.00 C \r\n> HETATM 1526 C15 LG1 h 1 4.228 -0.274 -20.819 1.00 0.00 C \r\n> HETATM 1527 H13 LG1 h 1 9.561 -3.925 -17.507 1.00 0.00 H \r\n> HETATM 1528 H1 LG1 h 1 6.774 -4.762 -18.805 1.00 0.00 H \r\n> HETATM 1529 H2 LG1 h 1 7.295 -4.109 -20.133 1.00 0.00 H \r\n> HETATM 1530 H3 LG1 h 1 1.319 3.045 -20.599 1.00 0.00 H \r\n> HETATM 1531 H4 LG1 h 1 3.798 1.386 -22.489 1.00 0.00 H \r\n> HETATM 1532 H5 LG1 h 1 2.486 2.189 -24.308 1.00 0.00 H \r\n> HETATM 1533 H6 LG1 h 1 0.935 3.666 -25.139 1.00 0.00 H \r\n> HETATM 1534 H7 LG1 h 1 -0.186 4.551 -21.434 1.00 0.00 H \r\n> HETATM 1535 H8 LG1 h 1 1.234 0.933 -20.142 1.00 0.00 H \r\n> HETATM 1536 H9 LG1 h 1 1.892 -0.375 -19.578 1.00 0.00 H \r\n> HETATM 1537 H10 LG1 h 1 2.336 1.026 -19.030 1.00 0.00 H \r\n> HETATM 1538 H11 LG1 h 1 -0.359 4.902 -23.690 1.00 0.00 H \r\n> HETATM 1539 H12 LG1 h 1 4.827 -0.168 -21.524 1.00 0.00 H \r\n> TER \r\n> HETATM 1541 S1 LG1 i 1 1.484 -1.751 -0.977 1.00 0.00 S \r\n> HETATM 1542 S2 LG1 i 1 2.653 -3.975 0.590 1.00 0.00 S \r\n> HETATM 1543 N1 LG1 i 1 3.573 -3.017 -1.729 1.00 0.00 N \r\n> HETATM 1544 O1 LG1 i 1 6.594 -4.262 -0.437 1.00 0.00 O \r\n> HETATM 1545 C1 LG1 i 1 2.240 -1.232 -2.470 1.00 0.00 C \r\n> HETATM 1546 O2 LG1 i 1 4.216 -1.934 -3.631 1.00 0.00 O \r\n> HETATM 1547 C2 LG1 i 1 2.662 -2.991 -0.703 1.00 0.00 C \r\n> HETATM 1548 C3 LG1 i 1 4.698 -3.924 -1.732 1.00 0.00 C \r\n> HETATM 1549 C4 LG1 i 1 -1.083 3.166 -4.032 1.00 0.00 C \r\n> HETATM 1550 C5 LG1 i 1 0.723 1.450 -4.442 1.00 0.00 C \r\n> HETATM 1551 C6 LG1 i 1 3.433 -2.047 -2.718 1.00 0.00 C \r\n> HETATM 1552 C7 LG1 i 1 -0.268 2.429 -4.879 1.00 0.00 C \r\n> HETATM 1553 C8 LG1 i 1 0.773 0.622 -3.382 1.00 0.00 C \r\n> HETATM 1554 C9 LG1 i 1 5.863 -3.346 -0.991 1.00 0.00 C \r\n> HETATM 1555 C10 LG1 i 1 -0.398 2.655 -6.232 1.00 0.00 C \r\n> HETATM 1556 C11 LG1 i 1 -1.313 3.552 -6.736 1.00 0.00 C \r\n> HETATM 1557 O3 LG1 i 1 6.077 -2.155 -0.940 1.00 0.00 O \r\n> HETATM 1558 C12 LG1 i 1 -1.982 4.071 -4.533 1.00 0.00 C \r\n> HETATM 1559 C13 LG1 i 1 -0.290 0.544 -2.324 1.00 0.00 C \r\n> HETATM 1560 C14 LG1 i 1 -2.093 4.275 -5.876 1.00 0.00 C \r\n> HETATM 1561 C15 LG1 i 1 1.891 -0.274 -3.333 1.00 0.00 C \r\n> HETATM 1562 H13 LG1 i 1 7.224 -3.925 -0.021 1.00 0.00 H \r\n> HETATM 1563 H1 LG1 i 1 4.437 -4.762 -1.319 1.00 0.00 H \r\n> HETATM 1564 H2 LG1 i 1 4.958 -4.109 -2.648 1.00 0.00 H \r\n> HETATM 1565 H3 LG1 i 1 -1.018 3.045 -3.113 1.00 0.00 H \r\n> HETATM 1566 H4 LG1 i 1 1.461 1.386 -5.003 1.00 0.00 H \r\n> HETATM 1567 H5 LG1 i 1 0.149 2.189 -6.823 1.00 0.00 H \r\n> HETATM 1568 H6 LG1 i 1 -1.402 3.666 -7.653 1.00 0.00 H \r\n> HETATM 1569 H7 LG1 i 1 -2.523 4.551 -3.948 1.00 0.00 H \r\n> HETATM 1570 H8 LG1 i 1 -1.103 0.933 -2.657 1.00 0.00 H \r\n> HETATM 1571 H9 LG1 i 1 -0.445 -0.375 -2.093 1.00 0.00 H \r\n> HETATM 1572 H10 LG1 i 1 -0.001 1.026 -1.545 1.00 0.00 H \r\n> HETATM 1573 H11 LG1 i 1 -2.696 4.902 -6.205 1.00 0.00 H \r\n> HETATM 1574 H12 LG1 i 1 2.490 -0.168 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1576 S1 LG1 j 1 3.821 3.586 -18.462 1.00 0.00 S \r\n> HETATM 1577 S2 LG1 j 1 4.990 1.362 -16.895 1.00 0.00 S \r\n> HETATM 1578 N1 LG1 j 1 5.910 2.321 -19.214 1.00 0.00 N \r\n> HETATM 1579 O1 LG1 j 1 8.931 1.076 -17.923 1.00 0.00 O \r\n> HETATM 1580 C1 LG1 j 1 4.577 4.106 -19.956 1.00 0.00 C \r\n> HETATM 1581 O2 LG1 j 1 6.553 3.404 -21.116 1.00 0.00 O \r\n> HETATM 1582 C2 LG1 j 1 4.999 2.347 -18.189 1.00 0.00 C \r\n> HETATM 1583 C3 LG1 j 1 7.035 1.413 -19.218 1.00 0.00 C \r\n> HETATM 1584 C4 LG1 j 1 1.254 8.504 -21.518 1.00 0.00 C \r\n> HETATM 1585 C5 LG1 j 1 3.060 6.787 -21.927 1.00 0.00 C \r\n> HETATM 1586 C6 LG1 j 1 5.770 3.290 -20.203 1.00 0.00 C \r\n> HETATM 1587 C7 LG1 j 1 2.069 7.766 -22.364 1.00 0.00 C \r\n> HETATM 1588 C8 LG1 j 1 3.110 5.960 -20.868 1.00 0.00 C \r\n> HETATM 1589 C9 LG1 j 1 8.200 1.991 -18.477 1.00 0.00 C \r\n> HETATM 1590 C10 LG1 j 1 1.939 7.993 -23.718 1.00 0.00 C \r\n> HETATM 1591 C11 LG1 j 1 1.024 8.889 -24.221 1.00 0.00 C \r\n> HETATM 1592 O3 LG1 j 1 8.414 3.183 -18.426 1.00 0.00 O \r\n> HETATM 1593 C12 LG1 j 1 0.355 9.408 -22.018 1.00 0.00 C \r\n> HETATM 1594 C13 LG1 j 1 2.047 5.881 -19.809 1.00 0.00 C \r\n> HETATM 1595 C14 LG1 j 1 0.244 9.612 -23.361 1.00 0.00 C \r\n> HETATM 1596 C15 LG1 j 1 4.228 5.063 -20.819 1.00 0.00 C \r\n> HETATM 1597 H13 LG1 j 1 9.561 1.412 -17.507 1.00 0.00 H \r\n> HETATM 1598 H1 LG1 j 1 6.774 0.576 -18.805 1.00 0.00 H \r\n> HETATM 1599 H2 LG1 j 1 7.295 1.229 -20.133 1.00 0.00 H \r\n> HETATM 1600 H3 LG1 j 1 1.319 8.382 -20.599 1.00 0.00 H \r\n> HETATM 1601 H4 LG1 j 1 3.798 6.723 -22.489 1.00 0.00 H \r\n> HETATM 1602 H5 LG1 j 1 2.486 7.527 -24.308 1.00 0.00 H \r\n> HETATM 1603 H6 LG1 j 1 0.935 9.004 -25.139 1.00 0.00 H \r\n> HETATM 1604 H7 LG1 j 1 -0.186 9.889 -21.434 1.00 0.00 H \r\n> HETATM 1605 H8 LG1 j 1 1.234 6.270 -20.142 1.00 0.00 H \r\n> HETATM 1606 H9 LG1 j 1 1.892 4.963 -19.578 1.00 0.00 H \r\n> HETATM 1607 H10 LG1 j 1 2.336 6.363 -19.030 1.00 0.00 H \r\n> HETATM 1608 H11 LG1 j 1 -0.359 10.239 -23.690 1.00 0.00 H \r\n> HETATM 1609 H12 LG1 j 1 4.827 5.170 -21.524 1.00 0.00 H \r\n> TER \r\n> HETATM 1611 S1 LG1 k 1 1.484 3.586 -0.977 1.00 0.00 S \r\n> HETATM 1612 S2 LG1 k 1 2.653 1.362 0.590 1.00 0.00 S \r\n> HETATM 1613 N1 LG1 k 1 3.573 2.321 -1.729 1.00 0.00 N \r\n> HETATM 1614 O1 LG1 k 1 6.594 1.076 -0.437 1.00 0.00 O \r\n> HETATM 1615 C1 LG1 k 1 2.240 4.106 -2.470 1.00 0.00 C \r\n> HETATM 1616 O2 LG1 k 1 4.216 3.404 -3.631 1.00 0.00 O \r\n> HETATM 1617 C2 LG1 k 1 2.662 2.347 -0.703 1.00 0.00 C \r\n> HETATM 1618 C3 LG1 k 1 4.698 1.413 -1.732 1.00 0.00 C \r\n> HETATM 1619 C4 LG1 k 1 -1.083 8.504 -4.032 1.00 0.00 C \r\n> HETATM 1620 C5 LG1 k 1 0.723 6.787 -4.442 1.00 0.00 C \r\n> HETATM 1621 C6 LG1 k 1 3.433 3.290 -2.718 1.00 0.00 C \r\n> HETATM 1622 C7 LG1 k 1 -0.268 7.766 -4.879 1.00 0.00 C \r\n> HETATM 1623 C8 LG1 k 1 0.773 5.960 -3.382 1.00 0.00 C \r\n> HETATM 1624 C9 LG1 k 1 5.863 1.991 -0.991 1.00 0.00 C \r\n> HETATM 1625 C10 LG1 k 1 -0.398 7.993 -6.232 1.00 0.00 C \r\n> HETATM 1626 C11 LG1 k 1 -1.313 8.889 -6.736 1.00 0.00 C \r\n> HETATM 1627 O3 LG1 k 1 6.077 3.183 -0.940 1.00 0.00 O \r\n> HETATM 1628 C12 LG1 k 1 -1.982 9.408 -4.533 1.00 0.00 C \r\n> HETATM 1629 C13 LG1 k 1 -0.290 5.881 -2.324 1.00 0.00 C \r\n> HETATM 1630 C14 LG1 k 1 -2.093 9.612 -5.876 1.00 0.00 C \r\n> HETATM 1631 C15 LG1 k 1 1.891 5.063 -3.333 1.00 0.00 C \r\n> HETATM 1632 H13 LG1 k 1 7.224 1.412 -0.021 1.00 0.00 H \r\n> HETATM 1633 H1 LG1 k 1 4.437 0.576 -1.319 1.00 0.00 H \r\n> HETATM 1634 H2 LG1 k 1 4.958 1.229 -2.648 1.00 0.00 H \r\n> HETATM 1635 H3 LG1 k 1 -1.018 8.382 -3.113 1.00 0.00 H \r\n> HETATM 1636 H4 LG1 k 1 1.461 6.723 -5.003 1.00 0.00 H \r\n> HETATM 1637 H5 LG1 k 1 0.149 7.527 -6.823 1.00 0.00 H \r\n> HETATM 1638 H6 LG1 k 1 -1.402 9.004 -7.653 1.00 0.00 H \r\n> HETATM 1639 H7 LG1 k 1 -2.523 9.889 -3.948 1.00 0.00 H \r\n> HETATM 1640 H8 LG1 k 1 -1.103 6.270 -2.657 1.00 0.00 H \r\n> HETATM 1641 H9 LG1 k 1 -0.445 4.963 -2.093 1.00 0.00 H \r\n> HETATM 1642 H10 LG1 k 1 -0.001 6.363 -1.545 1.00 0.00 H \r\n> HETATM 1643 H11 LG1 k 1 -2.696 10.239 -6.205 1.00 0.00 H \r\n> HETATM 1644 H12 LG1 k 1 2.490 5.170 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1646 S1 LG1 l 1 1.484 8.924 -0.977 1.00 0.00 S \r\n> HETATM 1647 S2 LG1 l 1 2.653 6.699 0.590 1.00 0.00 S \r\n> HETATM 1648 N1 LG1 l 1 3.573 7.658 -1.729 1.00 0.00 N \r\n> HETATM 1649 O1 LG1 l 1 6.594 6.413 -0.437 1.00 0.00 O \r\n> HETATM 1650 C1 LG1 l 1 2.240 9.443 -2.470 1.00 0.00 C \r\n> HETATM 1651 O2 LG1 l 1 4.216 8.741 -3.631 1.00 0.00 O \r\n> HETATM 1652 C2 LG1 l 1 2.662 7.684 -0.703 1.00 0.00 C \r\n> HETATM 1653 C3 LG1 l 1 4.698 6.751 -1.732 1.00 0.00 C \r\n> HETATM 1654 C4 LG1 l 1 -1.083 13.841 -4.032 1.00 0.00 C \r\n> HETATM 1655 C5 LG1 l 1 0.723 12.125 -4.442 1.00 0.00 C \r\n> HETATM 1656 C6 LG1 l 1 3.433 8.628 -2.718 1.00 0.00 C \r\n> HETATM 1657 C7 LG1 l 1 -0.268 13.104 -4.879 1.00 0.00 C \r\n> HETATM 1658 C8 LG1 l 1 0.773 11.297 -3.382 1.00 0.00 C \r\n> HETATM 1659 C9 LG1 l 1 5.863 7.329 -0.991 1.00 0.00 C \r\n> HETATM 1660 C10 LG1 l 1 -0.398 13.330 -6.232 1.00 0.00 C \r\n> HETATM 1661 C11 LG1 l 1 -1.313 14.227 -6.736 1.00 0.00 C \r\n> HETATM 1662 O3 LG1 l 1 6.077 8.520 -0.940 1.00 0.00 O \r\n> HETATM 1663 C12 LG1 l 1 -1.982 14.746 -4.533 1.00 0.00 C \r\n> HETATM 1664 C13 LG1 l 1 -0.290 11.219 -2.324 1.00 0.00 C \r\n> HETATM 1665 C14 LG1 l 1 -2.093 14.950 -5.876 1.00 0.00 C \r\n> HETATM 1666 C15 LG1 l 1 1.891 10.401 -3.333 1.00 0.00 C \r\n> HETATM 1667 H13 LG1 l 1 7.224 6.750 -0.021 1.00 0.00 H \r\n> HETATM 1668 H1 LG1 l 1 4.437 5.913 -1.319 1.00 0.00 H \r\n> HETATM 1669 H2 LG1 l 1 4.958 6.566 -2.648 1.00 0.00 H \r\n> HETATM 1670 H3 LG1 l 1 -1.018 13.720 -3.113 1.00 0.00 H \r\n> HETATM 1671 H4 LG1 l 1 1.461 12.061 -5.003 1.00 0.00 H \r\n> HETATM 1672 H5 LG1 l 1 0.149 12.864 -6.823 1.00 0.00 H \r\n> HETATM 1673 H6 LG1 l 1 -1.402 14.341 -7.653 1.00 0.00 H \r\n> HETATM 1674 H7 LG1 l 1 -2.523 15.226 -3.948 1.00 0.00 H \r\n> HETATM 1675 H8 LG1 l 1 -1.103 11.608 -2.657 1.00 0.00 H \r\n> HETATM 1676 H9 LG1 l 1 -0.445 10.300 -2.093 1.00 0.00 H \r\n> HETATM 1677 H10 LG1 l 1 -0.001 11.701 -1.545 1.00 0.00 H \r\n> HETATM 1678 H11 LG1 l 1 -2.696 15.577 -6.205 1.00 0.00 H \r\n> HETATM 1679 H12 LG1 l 1 2.490 10.507 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1681 S1 LG1 m 1 16.204 -7.089 -0.977 1.00 0.00 S \r\n> HETATM 1682 S2 LG1 m 1 17.372 -9.313 0.590 1.00 0.00 S \r\n> HETATM 1683 N1 LG1 m 1 18.292 -8.354 -1.729 1.00 0.00 N \r\n> HETATM 1684 O1 LG1 m 1 21.314 -9.599 -0.437 1.00 0.00 O \r\n> HETATM 1685 C1 LG1 m 1 16.959 -6.569 -2.470 1.00 0.00 C \r\n> HETATM 1686 O2 LG1 m 1 18.936 -7.271 -3.631 1.00 0.00 O \r\n> HETATM 1687 C2 LG1 m 1 17.381 -8.328 -0.703 1.00 0.00 C \r\n> HETATM 1688 C3 LG1 m 1 19.418 -9.262 -1.732 1.00 0.00 C \r\n> HETATM 1689 C4 LG1 m 1 13.636 -2.171 -4.032 1.00 0.00 C \r\n> HETATM 1690 C5 LG1 m 1 15.442 -3.888 -4.442 1.00 0.00 C \r\n> HETATM 1691 C6 LG1 m 1 18.153 -7.385 -2.718 1.00 0.00 C \r\n> HETATM 1692 C7 LG1 m 1 14.451 -2.909 -4.879 1.00 0.00 C \r\n> HETATM 1693 C8 LG1 m 1 15.492 -4.715 -3.382 1.00 0.00 C \r\n> HETATM 1694 C9 LG1 m 1 20.583 -8.683 -0.991 1.00 0.00 C \r\n> HETATM 1695 C10 LG1 m 1 14.321 -2.682 -6.232 1.00 0.00 C \r\n> HETATM 1696 C11 LG1 m 1 13.406 -1.786 -6.736 1.00 0.00 C \r\n> HETATM 1697 O3 LG1 m 1 20.796 -7.492 -0.940 1.00 0.00 O \r\n> HETATM 1698 C12 LG1 m 1 12.737 -1.267 -4.533 1.00 0.00 C \r\n> HETATM 1699 C13 LG1 m 1 14.430 -4.794 -2.324 1.00 0.00 C \r\n> HETATM 1700 C14 LG1 m 1 12.627 -1.063 -5.876 1.00 0.00 C \r\n> HETATM 1701 C15 LG1 m 1 16.611 -5.612 -3.333 1.00 0.00 C \r\n> HETATM 1702 H13 LG1 m 1 21.944 -9.263 -0.021 1.00 0.00 H \r\n> HETATM 1703 H1 LG1 m 1 19.157 -10.099 -1.319 1.00 0.00 H \r\n> HETATM 1704 H2 LG1 m 1 19.678 -9.446 -2.648 1.00 0.00 H \r\n> HETATM 1705 H3 LG1 m 1 13.702 -2.293 -3.113 1.00 0.00 H \r\n> HETATM 1706 H4 LG1 m 1 16.180 -3.951 -5.003 1.00 0.00 H \r\n> HETATM 1707 H5 LG1 m 1 14.868 -3.148 -6.823 1.00 0.00 H \r\n> HETATM 1708 H6 LG1 m 1 13.318 -1.671 -7.653 1.00 0.00 H \r\n> HETATM 1709 H7 LG1 m 1 12.196 -0.786 -3.948 1.00 0.00 H \r\n> HETATM 1710 H8 LG1 m 1 13.616 -4.405 -2.657 1.00 0.00 H \r\n> HETATM 1711 H9 LG1 m 1 14.274 -5.712 -2.093 1.00 0.00 H \r\n> HETATM 1712 H10 LG1 m 1 14.719 -4.312 -1.545 1.00 0.00 H \r\n> HETATM 1713 H11 LG1 m 1 12.024 -0.436 -6.205 1.00 0.00 H \r\n> HETATM 1714 H12 LG1 m 1 17.209 -5.505 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1716 S1 LG1 n 1 16.204 -1.751 -0.977 1.00 0.00 S \r\n> HETATM 1717 S2 LG1 n 1 17.372 -3.975 0.590 1.00 0.00 S \r\n> HETATM 1718 N1 LG1 n 1 18.292 -3.017 -1.729 1.00 0.00 N \r\n> HETATM 1719 O1 LG1 n 1 21.314 -4.262 -0.437 1.00 0.00 O \r\n> HETATM 1720 C1 LG1 n 1 16.959 -1.232 -2.470 1.00 0.00 C \r\n> HETATM 1721 O2 LG1 n 1 18.936 -1.934 -3.631 1.00 0.00 O \r\n> HETATM 1722 C2 LG1 n 1 17.381 -2.991 -0.703 1.00 0.00 C \r\n> HETATM 1723 C3 LG1 n 1 19.418 -3.924 -1.732 1.00 0.00 C \r\n> HETATM 1724 C4 LG1 n 1 13.636 3.166 -4.032 1.00 0.00 C \r\n> HETATM 1725 C5 LG1 n 1 15.442 1.450 -4.442 1.00 0.00 C \r\n> HETATM 1726 C6 LG1 n 1 18.153 -2.047 -2.718 1.00 0.00 C \r\n> HETATM 1727 C7 LG1 n 1 14.451 2.429 -4.879 1.00 0.00 C \r\n> HETATM 1728 C8 LG1 n 1 15.492 0.622 -3.382 1.00 0.00 C \r\n> HETATM 1729 C9 LG1 n 1 20.583 -3.346 -0.991 1.00 0.00 C \r\n> HETATM 1730 C10 LG1 n 1 14.321 2.655 -6.232 1.00 0.00 C \r\n> HETATM 1731 C11 LG1 n 1 13.406 3.552 -6.736 1.00 0.00 C \r\n> HETATM 1732 O3 LG1 n 1 20.796 -2.155 -0.940 1.00 0.00 O \r\n> HETATM 1733 C12 LG1 n 1 12.737 4.071 -4.533 1.00 0.00 C \r\n> HETATM 1734 C13 LG1 n 1 14.430 0.544 -2.324 1.00 0.00 C \r\n> HETATM 1735 C14 LG1 n 1 12.627 4.275 -5.876 1.00 0.00 C \r\n> HETATM 1736 C15 LG1 n 1 16.611 -0.274 -3.333 1.00 0.00 C \r\n> HETATM 1737 H13 LG1 n 1 21.944 -3.925 -0.021 1.00 0.00 H \r\n> HETATM 1738 H1 LG1 n 1 19.157 -4.762 -1.319 1.00 0.00 H \r\n> HETATM 1739 H2 LG1 n 1 19.678 -4.109 -2.648 1.00 0.00 H \r\n> HETATM 1740 H3 LG1 n 1 13.702 3.045 -3.113 1.00 0.00 H \r\n> HETATM 1741 H4 LG1 n 1 16.180 1.386 -5.003 1.00 0.00 H \r\n> HETATM 1742 H5 LG1 n 1 14.868 2.189 -6.823 1.00 0.00 H \r\n> HETATM 1743 H6 LG1 n 1 13.318 3.666 -7.653 1.00 0.00 H \r\n> HETATM 1744 H7 LG1 n 1 12.196 4.551 -3.948 1.00 0.00 H \r\n> HETATM 1745 H8 LG1 n 1 13.616 0.933 -2.657 1.00 0.00 H \r\n> HETATM 1746 H9 LG1 n 1 14.274 -0.375 -2.093 1.00 0.00 H \r\n> HETATM 1747 H10 LG1 n 1 14.719 1.026 -1.545 1.00 0.00 H \r\n> HETATM 1748 H11 LG1 n 1 12.024 4.902 -6.205 1.00 0.00 H \r\n> HETATM 1749 H12 LG1 n 1 17.209 -0.168 -4.038 1.00 0.00 H \r\n> TER \r\n> HETATM 1751 S1 LG1 o 1 -7.677 -9.757 -7.766 1.00 0.00 S \r\n> HETATM 1752 S2 LG1 o 1 -8.846 -11.982 -9.333 1.00 0.00 S \r\n> HETATM 1753 N1 LG1 o 1 -9.766 -11.023 -7.014 1.00 0.00 N \r\n> HETATM 1754 O1 LG1 o 1 -12.787 -12.268 -8.306 1.00 0.00 O \r\n> HETATM 1755 C1 LG1 o 1 -8.433 -9.238 -6.273 1.00 0.00 C \r\n> HETATM 1756 O2 LG1 o 1 -10.409 -9.940 -5.112 1.00 0.00 O \r\n> HETATM 1757 C2 LG1 o 1 -8.855 -10.997 -8.040 1.00 0.00 C \r\n> HETATM 1758 C3 LG1 o 1 -10.891 -11.930 -7.011 1.00 0.00 C \r\n> HETATM 1759 C4 LG1 o 1 -5.110 -4.840 -4.711 1.00 0.00 C \r\n> HETATM 1760 C5 LG1 o 1 -6.916 -6.556 -4.301 1.00 0.00 C \r\n> HETATM 1761 C6 LG1 o 1 -9.626 -10.053 -6.025 1.00 0.00 C \r\n> HETATM 1762 C7 LG1 o 1 -5.925 -5.577 -3.864 1.00 0.00 C \r\n> HETATM 1763 C8 LG1 o 1 -6.966 -7.384 -5.361 1.00 0.00 C \r\n> HETATM 1764 C9 LG1 o 1 -12.056 -11.352 -7.752 1.00 0.00 C \r\n> HETATM 1765 C10 LG1 o 1 -5.795 -5.351 -2.511 1.00 0.00 C \r\n> HETATM 1766 C11 LG1 o 1 -4.880 -4.454 -2.007 1.00 0.00 C \r\n> HETATM 1767 O3 LG1 o 1 -12.270 -10.161 -7.803 1.00 0.00 O \r\n> HETATM 1768 C12 LG1 o 1 -4.211 -3.935 -4.210 1.00 0.00 C \r\n> HETATM 1769 C13 LG1 o 1 -5.903 -7.462 -6.419 1.00 0.00 C \r\n> HETATM 1770 C14 LG1 o 1 -4.100 -3.731 -2.867 1.00 0.00 C \r\n> HETATM 1771 C15 LG1 o 1 -8.085 -8.280 -5.410 1.00 0.00 C \r\n> HETATM 1772 H13 LG1 o 1 -13.417 -11.931 -8.722 1.00 0.00 H \r\n> HETATM 1773 H1 LG1 o 1 -10.631 -12.768 -7.424 1.00 0.00 H \r\n> HETATM 1774 H2 LG1 o 1 -11.152 -12.115 -6.095 1.00 0.00 H \r\n> HETATM 1775 H3 LG1 o 1 -5.175 -4.962 -5.630 1.00 0.00 H \r\n> HETATM 1776 H4 LG1 o 1 -7.654 -6.620 -3.740 1.00 0.00 H \r\n> HETATM 1777 H5 LG1 o 1 -6.342 -5.817 -1.920 1.00 0.00 H \r\n> HETATM 1778 H6 LG1 o 1 -4.792 -4.340 -1.090 1.00 0.00 H \r\n> HETATM 1779 H7 LG1 o 1 -3.670 -3.455 -4.795 1.00 0.00 H \r\n> HETATM 1780 H8 LG1 o 1 -5.090 -7.074 -6.086 1.00 0.00 H \r\n> HETATM 1781 H9 LG1 o 1 -5.748 -8.381 -6.650 1.00 0.00 H \r\n> HETATM 1782 H10 LG1 o 1 -6.192 -6.980 -7.198 1.00 0.00 H \r\n> HETATM 1783 H11 LG1 o 1 -3.497 -3.104 -2.538 1.00 0.00 H \r\n> HETATM 1784 H12 LG1 o 1 -8.683 -8.174 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1786 S1 LG1 p 1 -10.014 -9.757 9.719 1.00 0.00 S \r\n> HETATM 1787 S2 LG1 p 1 -11.183 -11.982 8.152 1.00 0.00 S \r\n> HETATM 1788 N1 LG1 p 1 -12.103 -11.023 10.471 1.00 0.00 N \r\n> HETATM 1789 O1 LG1 p 1 -15.124 -12.268 9.180 1.00 0.00 O \r\n> HETATM 1790 C1 LG1 p 1 -10.770 -9.238 11.213 1.00 0.00 C \r\n> HETATM 1791 O2 LG1 p 1 -12.746 -9.940 12.373 1.00 0.00 O \r\n> HETATM 1792 C2 LG1 p 1 -11.192 -10.997 9.446 1.00 0.00 C \r\n> HETATM 1793 C3 LG1 p 1 -13.228 -11.930 10.475 1.00 0.00 C \r\n> HETATM 1794 C4 LG1 p 1 -7.447 -4.840 12.775 1.00 0.00 C \r\n> HETATM 1795 C5 LG1 p 1 -9.253 -6.556 13.184 1.00 0.00 C \r\n> HETATM 1796 C6 LG1 p 1 -11.963 -10.053 11.460 1.00 0.00 C \r\n> HETATM 1797 C7 LG1 p 1 -8.262 -5.577 13.621 1.00 0.00 C \r\n> HETATM 1798 C8 LG1 p 1 -9.303 -7.384 12.125 1.00 0.00 C \r\n> HETATM 1799 C9 LG1 p 1 -14.393 -11.352 9.734 1.00 0.00 C \r\n> HETATM 1800 C10 LG1 p 1 -8.132 -5.351 14.975 1.00 0.00 C \r\n> HETATM 1801 C11 LG1 p 1 -7.217 -4.454 15.478 1.00 0.00 C \r\n> HETATM 1802 O3 LG1 p 1 -14.607 -10.161 9.683 1.00 0.00 O \r\n> HETATM 1803 C12 LG1 p 1 -6.548 -3.935 13.275 1.00 0.00 C \r\n> HETATM 1804 C13 LG1 p 1 -8.240 -7.462 11.066 1.00 0.00 C \r\n> HETATM 1805 C14 LG1 p 1 -6.437 -3.731 14.619 1.00 0.00 C \r\n> HETATM 1806 C15 LG1 p 1 -10.422 -8.280 12.076 1.00 0.00 C \r\n> HETATM 1807 H13 LG1 p 1 -15.754 -11.931 8.764 1.00 0.00 H \r\n> HETATM 1808 H1 LG1 p 1 -12.968 -12.768 10.062 1.00 0.00 H \r\n> HETATM 1809 H2 LG1 p 1 -13.489 -12.115 11.390 1.00 0.00 H \r\n> HETATM 1810 H3 LG1 p 1 -7.512 -4.962 11.856 1.00 0.00 H \r\n> HETATM 1811 H4 LG1 p 1 -9.991 -6.620 13.746 1.00 0.00 H \r\n> HETATM 1812 H5 LG1 p 1 -8.679 -5.817 15.565 1.00 0.00 H \r\n> HETATM 1813 H6 LG1 p 1 -7.129 -4.340 16.396 1.00 0.00 H \r\n> HETATM 1814 H7 LG1 p 1 -6.007 -3.455 12.691 1.00 0.00 H \r\n> HETATM 1815 H8 LG1 p 1 -7.427 -7.074 11.399 1.00 0.00 H \r\n> HETATM 1816 H9 LG1 p 1 -8.085 -8.381 10.835 1.00 0.00 H \r\n> HETATM 1817 H10 LG1 p 1 -8.529 -6.980 10.287 1.00 0.00 H \r\n> HETATM 1818 H11 LG1 p 1 -5.834 -3.104 14.947 1.00 0.00 H \r\n> HETATM 1819 H12 LG1 p 1 -11.020 -8.174 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 1821 S1 LG1 q 1 -7.677 -4.420 -7.766 1.00 0.00 S \r\n> HETATM 1822 S2 LG1 q 1 -8.846 -6.644 -9.333 1.00 0.00 S \r\n> HETATM 1823 N1 LG1 q 1 -9.766 -5.685 -7.014 1.00 0.00 N \r\n> HETATM 1824 O1 LG1 q 1 -12.787 -6.931 -8.306 1.00 0.00 O \r\n> HETATM 1825 C1 LG1 q 1 -8.433 -3.901 -6.273 1.00 0.00 C \r\n> HETATM 1826 O2 LG1 q 1 -10.409 -4.602 -5.112 1.00 0.00 O \r\n> HETATM 1827 C2 LG1 q 1 -8.855 -5.659 -8.040 1.00 0.00 C \r\n> HETATM 1828 C3 LG1 q 1 -10.891 -6.593 -7.011 1.00 0.00 C \r\n> HETATM 1829 C4 LG1 q 1 -5.110 0.497 -4.711 1.00 0.00 C \r\n> HETATM 1830 C5 LG1 q 1 -6.916 -1.219 -4.301 1.00 0.00 C \r\n> HETATM 1831 C6 LG1 q 1 -9.626 -4.716 -6.025 1.00 0.00 C \r\n> HETATM 1832 C7 LG1 q 1 -5.925 -0.240 -3.864 1.00 0.00 C \r\n> HETATM 1833 C8 LG1 q 1 -6.966 -2.047 -5.361 1.00 0.00 C \r\n> HETATM 1834 C9 LG1 q 1 -12.056 -6.015 -7.752 1.00 0.00 C \r\n> HETATM 1835 C10 LG1 q 1 -5.795 -0.013 -2.511 1.00 0.00 C \r\n> HETATM 1836 C11 LG1 q 1 -4.880 0.883 -2.007 1.00 0.00 C \r\n> HETATM 1837 O3 LG1 q 1 -12.270 -4.824 -7.803 1.00 0.00 O \r\n> HETATM 1838 C12 LG1 q 1 -4.211 1.402 -4.210 1.00 0.00 C \r\n> HETATM 1839 C13 LG1 q 1 -5.903 -2.125 -6.419 1.00 0.00 C \r\n> HETATM 1840 C14 LG1 q 1 -4.100 1.606 -2.867 1.00 0.00 C \r\n> HETATM 1841 C15 LG1 q 1 -8.085 -2.943 -5.410 1.00 0.00 C \r\n> HETATM 1842 H13 LG1 q 1 -13.417 -6.594 -8.722 1.00 0.00 H \r\n> HETATM 1843 H1 LG1 q 1 -10.631 -7.430 -7.424 1.00 0.00 H \r\n> HETATM 1844 H2 LG1 q 1 -11.152 -6.778 -6.095 1.00 0.00 H \r\n> HETATM 1845 H3 LG1 q 1 -5.175 0.376 -5.630 1.00 0.00 H \r\n> HETATM 1846 H4 LG1 q 1 -7.654 -1.283 -3.740 1.00 0.00 H \r\n> HETATM 1847 H5 LG1 q 1 -6.342 -0.480 -1.920 1.00 0.00 H \r\n> HETATM 1848 H6 LG1 q 1 -4.792 0.997 -1.090 1.00 0.00 H \r\n> HETATM 1849 H7 LG1 q 1 -3.670 1.883 -4.795 1.00 0.00 H \r\n> HETATM 1850 H8 LG1 q 1 -5.090 -1.736 -6.086 1.00 0.00 H \r\n> HETATM 1851 H9 LG1 q 1 -5.748 -3.043 -6.650 1.00 0.00 H \r\n> HETATM 1852 H10 LG1 q 1 -6.192 -1.643 -7.198 1.00 0.00 H \r\n> HETATM 1853 H11 LG1 q 1 -3.497 2.233 -2.538 1.00 0.00 H \r\n> HETATM 1854 H12 LG1 q 1 -8.683 -2.837 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1856 S1 LG1 r 1 -10.014 -4.420 9.719 1.00 0.00 S \r\n> HETATM 1857 S2 LG1 r 1 -11.183 -6.644 8.152 1.00 0.00 S \r\n> HETATM 1858 N1 LG1 r 1 -12.103 -5.685 10.471 1.00 0.00 N \r\n> HETATM 1859 O1 LG1 r 1 -15.124 -6.931 9.180 1.00 0.00 O \r\n> HETATM 1860 C1 LG1 r 1 -10.770 -3.901 11.213 1.00 0.00 C \r\n> HETATM 1861 O2 LG1 r 1 -12.746 -4.602 12.373 1.00 0.00 O \r\n> HETATM 1862 C2 LG1 r 1 -11.192 -5.659 9.446 1.00 0.00 C \r\n> HETATM 1863 C3 LG1 r 1 -13.228 -6.593 10.475 1.00 0.00 C \r\n> HETATM 1864 C4 LG1 r 1 -7.447 0.497 12.775 1.00 0.00 C \r\n> HETATM 1865 C5 LG1 r 1 -9.253 -1.219 13.184 1.00 0.00 C \r\n> HETATM 1866 C6 LG1 r 1 -11.963 -4.716 11.460 1.00 0.00 C \r\n> HETATM 1867 C7 LG1 r 1 -8.262 -0.240 13.621 1.00 0.00 C \r\n> HETATM 1868 C8 LG1 r 1 -9.303 -2.047 12.125 1.00 0.00 C \r\n> HETATM 1869 C9 LG1 r 1 -14.393 -6.015 9.734 1.00 0.00 C \r\n> HETATM 1870 C10 LG1 r 1 -8.132 -0.013 14.975 1.00 0.00 C \r\n> HETATM 1871 C11 LG1 r 1 -7.217 0.883 15.478 1.00 0.00 C \r\n> HETATM 1872 O3 LG1 r 1 -14.607 -4.824 9.683 1.00 0.00 O \r\n> HETATM 1873 C12 LG1 r 1 -6.548 1.402 13.275 1.00 0.00 C \r\n> HETATM 1874 C13 LG1 r 1 -8.240 -2.125 11.066 1.00 0.00 C \r\n> HETATM 1875 C14 LG1 r 1 -6.437 1.606 14.619 1.00 0.00 C \r\n> HETATM 1876 C15 LG1 r 1 -10.422 -2.943 12.076 1.00 0.00 C \r\n> HETATM 1877 H13 LG1 r 1 -15.754 -6.594 8.764 1.00 0.00 H \r\n> HETATM 1878 H1 LG1 r 1 -12.968 -7.430 10.062 1.00 0.00 H \r\n> HETATM 1879 H2 LG1 r 1 -13.489 -6.778 11.390 1.00 0.00 H \r\n> HETATM 1880 H3 LG1 r 1 -7.512 0.376 11.856 1.00 0.00 H \r\n> HETATM 1881 H4 LG1 r 1 -9.991 -1.283 13.746 1.00 0.00 H \r\n> HETATM 1882 H5 LG1 r 1 -8.679 -0.480 15.565 1.00 0.00 H \r\n> HETATM 1883 H6 LG1 r 1 -7.129 0.997 16.396 1.00 0.00 H \r\n> HETATM 1884 H7 LG1 r 1 -6.007 1.883 12.691 1.00 0.00 H \r\n> HETATM 1885 H8 LG1 r 1 -7.427 -1.736 11.399 1.00 0.00 H \r\n> HETATM 1886 H9 LG1 r 1 -8.085 -3.043 10.835 1.00 0.00 H \r\n> HETATM 1887 H10 LG1 r 1 -8.529 -1.643 10.287 1.00 0.00 H \r\n> HETATM 1888 H11 LG1 r 1 -5.834 2.233 14.947 1.00 0.00 H \r\n> HETATM 1889 H12 LG1 r 1 -11.020 -2.837 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 1891 S1 LG1 s 1 -7.677 0.917 -7.766 1.00 0.00 S \r\n> HETATM 1892 S2 LG1 s 1 -8.846 -1.307 -9.333 1.00 0.00 S \r\n> HETATM 1893 N1 LG1 s 1 -9.766 -0.348 -7.014 1.00 0.00 N \r\n> HETATM 1894 O1 LG1 s 1 -12.787 -1.593 -8.306 1.00 0.00 O \r\n> HETATM 1895 C1 LG1 s 1 -8.433 1.437 -6.273 1.00 0.00 C \r\n> HETATM 1896 O2 LG1 s 1 -10.409 0.735 -5.112 1.00 0.00 O \r\n> HETATM 1897 C2 LG1 s 1 -8.855 -0.322 -8.040 1.00 0.00 C \r\n> HETATM 1898 C3 LG1 s 1 -10.891 -1.255 -7.011 1.00 0.00 C \r\n> HETATM 1899 C4 LG1 s 1 -5.110 5.835 -4.711 1.00 0.00 C \r\n> HETATM 1900 C5 LG1 s 1 -6.916 4.119 -4.301 1.00 0.00 C \r\n> HETATM 1901 C6 LG1 s 1 -9.626 0.622 -6.025 1.00 0.00 C \r\n> HETATM 1902 C7 LG1 s 1 -5.925 5.098 -3.864 1.00 0.00 C \r\n> HETATM 1903 C8 LG1 s 1 -6.966 3.291 -5.361 1.00 0.00 C \r\n> HETATM 1904 C9 LG1 s 1 -12.056 -0.677 -7.752 1.00 0.00 C \r\n> HETATM 1905 C10 LG1 s 1 -5.795 5.324 -2.511 1.00 0.00 C \r\n> HETATM 1906 C11 LG1 s 1 -4.880 6.221 -2.007 1.00 0.00 C \r\n> HETATM 1907 O3 LG1 s 1 -12.270 0.514 -7.803 1.00 0.00 O \r\n> HETATM 1908 C12 LG1 s 1 -4.211 6.740 -4.210 1.00 0.00 C \r\n> HETATM 1909 C13 LG1 s 1 -5.903 3.213 -6.419 1.00 0.00 C \r\n> HETATM 1910 C14 LG1 s 1 -4.100 6.943 -2.867 1.00 0.00 C \r\n> HETATM 1911 C15 LG1 s 1 -8.085 2.395 -5.410 1.00 0.00 C \r\n> HETATM 1912 H13 LG1 s 1 -13.417 -1.256 -8.722 1.00 0.00 H \r\n> HETATM 1913 H1 LG1 s 1 -10.631 -2.093 -7.424 1.00 0.00 H \r\n> HETATM 1914 H2 LG1 s 1 -11.152 -1.440 -6.095 1.00 0.00 H \r\n> HETATM 1915 H3 LG1 s 1 -5.175 5.713 -5.630 1.00 0.00 H \r\n> HETATM 1916 H4 LG1 s 1 -7.654 4.055 -3.740 1.00 0.00 H \r\n> HETATM 1917 H5 LG1 s 1 -6.342 4.858 -1.920 1.00 0.00 H \r\n> HETATM 1918 H6 LG1 s 1 -4.792 6.335 -1.090 1.00 0.00 H \r\n> HETATM 1919 H7 LG1 s 1 -3.670 7.220 -4.795 1.00 0.00 H \r\n> HETATM 1920 H8 LG1 s 1 -5.090 3.601 -6.086 1.00 0.00 H \r\n> HETATM 1921 H9 LG1 s 1 -5.748 2.294 -6.650 1.00 0.00 H \r\n> HETATM 1922 H10 LG1 s 1 -6.192 3.694 -7.198 1.00 0.00 H \r\n> HETATM 1923 H11 LG1 s 1 -3.497 7.571 -2.538 1.00 0.00 H \r\n> HETATM 1924 H12 LG1 s 1 -8.683 2.501 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1926 S1 LG1 t 1 -10.014 0.917 9.719 1.00 0.00 S \r\n> HETATM 1927 S2 LG1 t 1 -11.183 -1.307 8.152 1.00 0.00 S \r\n> HETATM 1928 N1 LG1 t 1 -12.103 -0.348 10.471 1.00 0.00 N \r\n> HETATM 1929 O1 LG1 t 1 -15.124 -1.593 9.180 1.00 0.00 O \r\n> HETATM 1930 C1 LG1 t 1 -10.770 1.437 11.213 1.00 0.00 C \r\n> HETATM 1931 O2 LG1 t 1 -12.746 0.735 12.373 1.00 0.00 O \r\n> HETATM 1932 C2 LG1 t 1 -11.192 -0.322 9.446 1.00 0.00 C \r\n> HETATM 1933 C3 LG1 t 1 -13.228 -1.255 10.475 1.00 0.00 C \r\n> HETATM 1934 C4 LG1 t 1 -7.447 5.835 12.775 1.00 0.00 C \r\n> HETATM 1935 C5 LG1 t 1 -9.253 4.119 13.184 1.00 0.00 C \r\n> HETATM 1936 C6 LG1 t 1 -11.963 0.622 11.460 1.00 0.00 C \r\n> HETATM 1937 C7 LG1 t 1 -8.262 5.098 13.621 1.00 0.00 C \r\n> HETATM 1938 C8 LG1 t 1 -9.303 3.291 12.125 1.00 0.00 C \r\n> HETATM 1939 C9 LG1 t 1 -14.393 -0.677 9.734 1.00 0.00 C \r\n> HETATM 1940 C10 LG1 t 1 -8.132 5.324 14.975 1.00 0.00 C \r\n> HETATM 1941 C11 LG1 t 1 -7.217 6.221 15.478 1.00 0.00 C \r\n> HETATM 1942 O3 LG1 t 1 -14.607 0.514 9.683 1.00 0.00 O \r\n> HETATM 1943 C12 LG1 t 1 -6.548 6.740 13.275 1.00 0.00 C \r\n> HETATM 1944 C13 LG1 t 1 -8.240 3.213 11.066 1.00 0.00 C \r\n> HETATM 1945 C14 LG1 t 1 -6.437 6.943 14.619 1.00 0.00 C \r\n> HETATM 1946 C15 LG1 t 1 -10.422 2.395 12.076 1.00 0.00 C \r\n> HETATM 1947 H13 LG1 t 1 -15.754 -1.256 8.764 1.00 0.00 H \r\n> HETATM 1948 H1 LG1 t 1 -12.968 -2.093 10.062 1.00 0.00 H \r\n> HETATM 1949 H2 LG1 t 1 -13.489 -1.440 11.390 1.00 0.00 H \r\n> HETATM 1950 H3 LG1 t 1 -7.512 5.713 11.856 1.00 0.00 H \r\n> HETATM 1951 H4 LG1 t 1 -9.991 4.055 13.746 1.00 0.00 H \r\n> HETATM 1952 H5 LG1 t 1 -8.679 4.858 15.565 1.00 0.00 H \r\n> HETATM 1953 H6 LG1 t 1 -7.129 6.335 16.396 1.00 0.00 H \r\n> HETATM 1954 H7 LG1 t 1 -6.007 7.220 12.691 1.00 0.00 H \r\n> HETATM 1955 H8 LG1 t 1 -7.427 3.601 11.399 1.00 0.00 H \r\n> HETATM 1956 H9 LG1 t 1 -8.085 2.294 10.835 1.00 0.00 H \r\n> HETATM 1957 H10 LG1 t 1 -8.529 3.694 10.287 1.00 0.00 H \r\n> HETATM 1958 H11 LG1 t 1 -5.834 7.571 14.947 1.00 0.00 H \r\n> HETATM 1959 H12 LG1 t 1 -11.020 2.501 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 1961 S1 LG1 u 1 -7.677 6.255 -7.766 1.00 0.00 S \r\n> HETATM 1962 S2 LG1 u 1 -8.846 4.031 -9.333 1.00 0.00 S \r\n> HETATM 1963 N1 LG1 u 1 -9.766 4.989 -7.014 1.00 0.00 N \r\n> HETATM 1964 O1 LG1 u 1 -12.787 3.744 -8.306 1.00 0.00 O \r\n> HETATM 1965 C1 LG1 u 1 -8.433 6.774 -6.273 1.00 0.00 C \r\n> HETATM 1966 O2 LG1 u 1 -10.409 6.073 -5.112 1.00 0.00 O \r\n> HETATM 1967 C2 LG1 u 1 -8.855 5.016 -8.040 1.00 0.00 C \r\n> HETATM 1968 C3 LG1 u 1 -10.891 4.082 -7.011 1.00 0.00 C \r\n> HETATM 1969 C4 LG1 u 1 -5.110 11.172 -4.711 1.00 0.00 C \r\n> HETATM 1970 C5 LG1 u 1 -6.916 9.456 -4.301 1.00 0.00 C \r\n> HETATM 1971 C6 LG1 u 1 -9.626 5.959 -6.025 1.00 0.00 C \r\n> HETATM 1972 C7 LG1 u 1 -5.925 10.435 -3.864 1.00 0.00 C \r\n> HETATM 1973 C8 LG1 u 1 -6.966 8.628 -5.361 1.00 0.00 C \r\n> HETATM 1974 C9 LG1 u 1 -12.056 4.660 -7.752 1.00 0.00 C \r\n> HETATM 1975 C10 LG1 u 1 -5.795 10.662 -2.511 1.00 0.00 C \r\n> HETATM 1976 C11 LG1 u 1 -4.880 11.558 -2.007 1.00 0.00 C \r\n> HETATM 1977 O3 LG1 u 1 -12.270 5.851 -7.803 1.00 0.00 O \r\n> HETATM 1978 C12 LG1 u 1 -4.211 12.077 -4.210 1.00 0.00 C \r\n> HETATM 1979 C13 LG1 u 1 -5.903 8.550 -6.419 1.00 0.00 C \r\n> HETATM 1980 C14 LG1 u 1 -4.100 12.281 -2.867 1.00 0.00 C \r\n> HETATM 1981 C15 LG1 u 1 -8.085 7.732 -5.410 1.00 0.00 C \r\n> HETATM 1982 H13 LG1 u 1 -13.417 4.081 -8.722 1.00 0.00 H \r\n> HETATM 1983 H1 LG1 u 1 -10.631 3.245 -7.424 1.00 0.00 H \r\n> HETATM 1984 H2 LG1 u 1 -11.152 3.897 -6.095 1.00 0.00 H \r\n> HETATM 1985 H3 LG1 u 1 -5.175 11.051 -5.630 1.00 0.00 H \r\n> HETATM 1986 H4 LG1 u 1 -7.654 9.392 -3.740 1.00 0.00 H \r\n> HETATM 1987 H5 LG1 u 1 -6.342 10.195 -1.920 1.00 0.00 H \r\n> HETATM 1988 H6 LG1 u 1 -4.792 11.672 -1.090 1.00 0.00 H \r\n> HETATM 1989 H7 LG1 u 1 -3.670 12.557 -4.795 1.00 0.00 H \r\n> HETATM 1990 H8 LG1 u 1 -5.090 8.939 -6.086 1.00 0.00 H \r\n> HETATM 1991 H9 LG1 u 1 -5.748 7.632 -6.650 1.00 0.00 H \r\n> HETATM 1992 H10 LG1 u 1 -6.192 9.032 -7.198 1.00 0.00 H \r\n> HETATM 1993 H11 LG1 u 1 -3.497 12.908 -2.538 1.00 0.00 H \r\n> HETATM 1994 H12 LG1 u 1 -8.683 7.838 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 1996 S1 LG1 v 1 -10.014 6.255 9.719 1.00 0.00 S \r\n> HETATM 1997 S2 LG1 v 1 -11.183 4.031 8.152 1.00 0.00 S \r\n> HETATM 1998 N1 LG1 v 1 -12.103 4.989 10.471 1.00 0.00 N \r\n> HETATM 1999 O1 LG1 v 1 -15.124 3.744 9.180 1.00 0.00 O \r\n> HETATM 2000 C1 LG1 v 1 -10.770 6.774 11.213 1.00 0.00 C \r\n> HETATM 2001 O2 LG1 v 1 -12.746 6.073 12.373 1.00 0.00 O \r\n> HETATM 2002 C2 LG1 v 1 -11.192 5.016 9.446 1.00 0.00 C \r\n> HETATM 2003 C3 LG1 v 1 -13.228 4.082 10.475 1.00 0.00 C \r\n> HETATM 2004 C4 LG1 v 1 -7.447 11.172 12.775 1.00 0.00 C \r\n> HETATM 2005 C5 LG1 v 1 -9.253 9.456 13.184 1.00 0.00 C \r\n> HETATM 2006 C6 LG1 v 1 -11.963 5.959 11.460 1.00 0.00 C \r\n> HETATM 2007 C7 LG1 v 1 -8.262 10.435 13.621 1.00 0.00 C \r\n> HETATM 2008 C8 LG1 v 1 -9.303 8.628 12.125 1.00 0.00 C \r\n> HETATM 2009 C9 LG1 v 1 -14.393 4.660 9.734 1.00 0.00 C \r\n> HETATM 2010 C10 LG1 v 1 -8.132 10.662 14.975 1.00 0.00 C \r\n> HETATM 2011 C11 LG1 v 1 -7.217 11.558 15.478 1.00 0.00 C \r\n> HETATM 2012 O3 LG1 v 1 -14.607 5.851 9.683 1.00 0.00 O \r\n> HETATM 2013 C12 LG1 v 1 -6.548 12.077 13.275 1.00 0.00 C \r\n> HETATM 2014 C13 LG1 v 1 -8.240 8.550 11.066 1.00 0.00 C \r\n> HETATM 2015 C14 LG1 v 1 -6.437 12.281 14.619 1.00 0.00 C \r\n> HETATM 2016 C15 LG1 v 1 -10.422 7.732 12.076 1.00 0.00 C \r\n> HETATM 2017 H13 LG1 v 1 -15.754 4.081 8.764 1.00 0.00 H \r\n> HETATM 2018 H1 LG1 v 1 -12.968 3.245 10.062 1.00 0.00 H \r\n> HETATM 2019 H2 LG1 v 1 -13.489 3.897 11.390 1.00 0.00 H \r\n> HETATM 2020 H3 LG1 v 1 -7.512 11.051 11.856 1.00 0.00 H \r\n> HETATM 2021 H4 LG1 v 1 -9.991 9.392 13.746 1.00 0.00 H \r\n> HETATM 2022 H5 LG1 v 1 -8.679 10.195 15.565 1.00 0.00 H \r\n> HETATM 2023 H6 LG1 v 1 -7.129 11.672 16.396 1.00 0.00 H \r\n> HETATM 2024 H7 LG1 v 1 -6.007 12.557 12.691 1.00 0.00 H \r\n> HETATM 2025 H8 LG1 v 1 -7.427 8.939 11.399 1.00 0.00 H \r\n> HETATM 2026 H9 LG1 v 1 -8.085 7.632 10.835 1.00 0.00 H \r\n> HETATM 2027 H10 LG1 v 1 -8.529 9.032 10.287 1.00 0.00 H \r\n> HETATM 2028 H11 LG1 v 1 -5.834 12.908 14.947 1.00 0.00 H \r\n> HETATM 2029 H12 LG1 v 1 -11.020 7.838 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2031 S1 LG1 w 1 -7.677 11.592 -7.766 1.00 0.00 S \r\n> HETATM 2032 S2 LG1 w 1 -8.846 9.368 -9.333 1.00 0.00 S \r\n> HETATM 2033 N1 LG1 w 1 -9.766 10.327 -7.014 1.00 0.00 N \r\n> HETATM 2034 O1 LG1 w 1 -12.787 9.082 -8.306 1.00 0.00 O \r\n> HETATM 2035 C1 LG1 w 1 -8.433 12.112 -6.273 1.00 0.00 C \r\n> HETATM 2036 O2 LG1 w 1 -10.409 11.410 -5.112 1.00 0.00 O \r\n> HETATM 2037 C2 LG1 w 1 -8.855 10.353 -8.040 1.00 0.00 C \r\n> HETATM 2038 C3 LG1 w 1 -10.891 9.420 -7.011 1.00 0.00 C \r\n> HETATM 2039 C4 LG1 w 1 -5.110 16.510 -4.711 1.00 0.00 C \r\n> HETATM 2040 C5 LG1 w 1 -6.916 14.794 -4.301 1.00 0.00 C \r\n> HETATM 2041 C6 LG1 w 1 -9.626 11.296 -6.025 1.00 0.00 C \r\n> HETATM 2042 C7 LG1 w 1 -5.925 15.772 -3.864 1.00 0.00 C \r\n> HETATM 2043 C8 LG1 w 1 -6.966 13.966 -5.361 1.00 0.00 C \r\n> HETATM 2044 C9 LG1 w 1 -12.056 9.998 -7.752 1.00 0.00 C \r\n> HETATM 2045 C10 LG1 w 1 -5.795 15.999 -2.511 1.00 0.00 C \r\n> HETATM 2046 C11 LG1 w 1 -4.880 16.896 -2.007 1.00 0.00 C \r\n> HETATM 2047 O3 LG1 w 1 -12.270 11.189 -7.803 1.00 0.00 O \r\n> HETATM 2048 C12 LG1 w 1 -4.211 17.415 -4.210 1.00 0.00 C \r\n> HETATM 2049 C13 LG1 w 1 -5.903 13.888 -6.419 1.00 0.00 C \r\n> HETATM 2050 C14 LG1 w 1 -4.100 17.618 -2.867 1.00 0.00 C \r\n> HETATM 2051 C15 LG1 w 1 -8.085 13.070 -5.410 1.00 0.00 C \r\n> HETATM 2052 H13 LG1 w 1 -13.417 9.419 -8.722 1.00 0.00 H \r\n> HETATM 2053 H1 LG1 w 1 -10.631 8.582 -7.424 1.00 0.00 H \r\n> HETATM 2054 H2 LG1 w 1 -11.152 9.235 -6.095 1.00 0.00 H \r\n> HETATM 2055 H3 LG1 w 1 -5.175 16.388 -5.630 1.00 0.00 H \r\n> HETATM 2056 H4 LG1 w 1 -7.654 14.730 -3.740 1.00 0.00 H \r\n> HETATM 2057 H5 LG1 w 1 -6.342 15.533 -1.920 1.00 0.00 H \r\n> HETATM 2058 H6 LG1 w 1 -4.792 17.010 -1.090 1.00 0.00 H \r\n> HETATM 2059 H7 LG1 w 1 -3.670 17.895 -4.795 1.00 0.00 H \r\n> HETATM 2060 H8 LG1 w 1 -5.090 14.276 -6.086 1.00 0.00 H \r\n> HETATM 2061 H9 LG1 w 1 -5.748 12.969 -6.650 1.00 0.00 H \r\n> HETATM 2062 H10 LG1 w 1 -6.192 14.369 -7.198 1.00 0.00 H \r\n> HETATM 2063 H11 LG1 w 1 -3.497 18.246 -2.538 1.00 0.00 H \r\n> HETATM 2064 H12 LG1 w 1 -8.683 13.176 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 2066 S1 LG1 x 1 -10.014 11.592 9.719 1.00 0.00 S \r\n> HETATM 2067 S2 LG1 x 1 -11.183 9.368 8.152 1.00 0.00 S \r\n> HETATM 2068 N1 LG1 x 1 -12.103 10.327 10.471 1.00 0.00 N \r\n> HETATM 2069 O1 LG1 x 1 -15.124 9.082 9.180 1.00 0.00 O \r\n> HETATM 2070 C1 LG1 x 1 -10.770 12.112 11.213 1.00 0.00 C \r\n> HETATM 2071 O2 LG1 x 1 -12.746 11.410 12.373 1.00 0.00 O \r\n> HETATM 2072 C2 LG1 x 1 -11.192 10.353 9.446 1.00 0.00 C \r\n> HETATM 2073 C3 LG1 x 1 -13.228 9.420 10.475 1.00 0.00 C \r\n> HETATM 2074 C4 LG1 x 1 -7.447 16.510 12.775 1.00 0.00 C \r\n> HETATM 2075 C5 LG1 x 1 -9.253 14.794 13.184 1.00 0.00 C \r\n> HETATM 2076 C6 LG1 x 1 -11.963 11.296 11.460 1.00 0.00 C \r\n> HETATM 2077 C7 LG1 x 1 -8.262 15.772 13.621 1.00 0.00 C \r\n> HETATM 2078 C8 LG1 x 1 -9.303 13.966 12.125 1.00 0.00 C \r\n> HETATM 2079 C9 LG1 x 1 -14.393 9.998 9.734 1.00 0.00 C \r\n> HETATM 2080 C10 LG1 x 1 -8.132 15.999 14.975 1.00 0.00 C \r\n> HETATM 2081 C11 LG1 x 1 -7.217 16.896 15.478 1.00 0.00 C \r\n> HETATM 2082 O3 LG1 x 1 -14.607 11.189 9.683 1.00 0.00 O \r\n> HETATM 2083 C12 LG1 x 1 -6.548 17.415 13.275 1.00 0.00 C \r\n> HETATM 2084 C13 LG1 x 1 -8.240 13.888 11.066 1.00 0.00 C \r\n> HETATM 2085 C14 LG1 x 1 -6.437 17.618 14.619 1.00 0.00 C \r\n> HETATM 2086 C15 LG1 x 1 -10.422 13.070 12.076 1.00 0.00 C \r\n> HETATM 2087 H13 LG1 x 1 -15.754 9.419 8.764 1.00 0.00 H \r\n> HETATM 2088 H1 LG1 x 1 -12.968 8.582 10.062 1.00 0.00 H \r\n> HETATM 2089 H2 LG1 x 1 -13.489 9.235 11.390 1.00 0.00 H \r\n> HETATM 2090 H3 LG1 x 1 -7.512 16.388 11.856 1.00 0.00 H \r\n> HETATM 2091 H4 LG1 x 1 -9.991 14.730 13.746 1.00 0.00 H \r\n> HETATM 2092 H5 LG1 x 1 -8.679 15.533 15.565 1.00 0.00 H \r\n> HETATM 2093 H6 LG1 x 1 -7.129 17.010 16.396 1.00 0.00 H \r\n> HETATM 2094 H7 LG1 x 1 -6.007 17.895 12.691 1.00 0.00 H \r\n> HETATM 2095 H8 LG1 x 1 -7.427 14.276 11.399 1.00 0.00 H \r\n> HETATM 2096 H9 LG1 x 1 -8.085 12.969 10.835 1.00 0.00 H \r\n> HETATM 2097 H10 LG1 x 1 -8.529 14.369 10.287 1.00 0.00 H \r\n> HETATM 2098 H11 LG1 x 1 -5.834 18.246 14.947 1.00 0.00 H \r\n> HETATM 2099 H12 LG1 x 1 -11.020 13.176 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2101 S1 LG1 y 1 4.705 -9.757 9.719 1.00 0.00 S \r\n> HETATM 2102 S2 LG1 y 1 3.537 -11.982 8.152 1.00 0.00 S \r\n> HETATM 2103 N1 LG1 y 1 2.617 -11.023 10.471 1.00 0.00 N \r\n> HETATM 2104 O1 LG1 y 1 -0.405 -12.268 9.180 1.00 0.00 O \r\n> HETATM 2105 C1 LG1 y 1 3.950 -9.238 11.213 1.00 0.00 C \r\n> HETATM 2106 O2 LG1 y 1 1.973 -9.940 12.373 1.00 0.00 O \r\n> HETATM 2107 C2 LG1 y 1 3.528 -10.997 9.446 1.00 0.00 C \r\n> HETATM 2108 C3 LG1 y 1 1.491 -11.930 10.475 1.00 0.00 C \r\n> HETATM 2109 C4 LG1 y 1 7.273 -4.840 12.775 1.00 0.00 C \r\n> HETATM 2110 C5 LG1 y 1 5.467 -6.556 13.184 1.00 0.00 C \r\n> HETATM 2111 C6 LG1 y 1 2.756 -10.053 11.460 1.00 0.00 C \r\n> HETATM 2112 C7 LG1 y 1 6.458 -5.577 13.621 1.00 0.00 C \r\n> HETATM 2113 C8 LG1 y 1 5.417 -7.384 12.125 1.00 0.00 C \r\n> HETATM 2114 C9 LG1 y 1 0.326 -11.352 9.734 1.00 0.00 C \r\n> HETATM 2115 C10 LG1 y 1 6.588 -5.351 14.975 1.00 0.00 C \r\n> HETATM 2116 C11 LG1 y 1 7.503 -4.454 15.478 1.00 0.00 C \r\n> HETATM 2117 O3 LG1 y 1 0.113 -10.161 9.683 1.00 0.00 O \r\n> HETATM 2118 C12 LG1 y 1 8.172 -3.935 13.275 1.00 0.00 C \r\n> HETATM 2119 C13 LG1 y 1 6.479 -7.462 11.066 1.00 0.00 C \r\n> HETATM 2120 C14 LG1 y 1 8.282 -3.731 14.619 1.00 0.00 C \r\n> HETATM 2121 C15 LG1 y 1 4.298 -8.280 12.076 1.00 0.00 C \r\n> HETATM 2122 H13 LG1 y 1 -1.035 -11.931 8.764 1.00 0.00 H \r\n> HETATM 2123 H1 LG1 y 1 1.752 -12.768 10.062 1.00 0.00 H \r\n> HETATM 2124 H2 LG1 y 1 1.231 -12.115 11.390 1.00 0.00 H \r\n> HETATM 2125 H3 LG1 y 1 7.207 -4.962 11.856 1.00 0.00 H \r\n> HETATM 2126 H4 LG1 y 1 4.729 -6.620 13.746 1.00 0.00 H \r\n> HETATM 2127 H5 LG1 y 1 6.041 -5.817 15.565 1.00 0.00 H \r\n> HETATM 2128 H6 LG1 y 1 7.591 -4.340 16.396 1.00 0.00 H \r\n> HETATM 2129 H7 LG1 y 1 8.713 -3.455 12.691 1.00 0.00 H \r\n> HETATM 2130 H8 LG1 y 1 7.293 -7.074 11.399 1.00 0.00 H \r\n> HETATM 2131 H9 LG1 y 1 6.635 -8.381 10.835 1.00 0.00 H \r\n> HETATM 2132 H10 LG1 y 1 6.190 -6.980 10.287 1.00 0.00 H \r\n> HETATM 2133 H11 LG1 y 1 8.885 -3.104 14.947 1.00 0.00 H \r\n> HETATM 2134 H12 LG1 y 1 3.700 -8.174 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2136 S1 LG1 z 1 7.042 -4.420 -7.766 1.00 0.00 S \r\n> HETATM 2137 S2 LG1 z 1 5.874 -6.644 -9.333 1.00 0.00 S \r\n> HETATM 2138 N1 LG1 z 1 4.954 -5.685 -7.014 1.00 0.00 N \r\n> HETATM 2139 O1 LG1 z 1 1.932 -6.931 -8.306 1.00 0.00 O \r\n> HETATM 2140 C1 LG1 z 1 6.287 -3.901 -6.273 1.00 0.00 C \r\n> HETATM 2141 O2 LG1 z 1 4.310 -4.602 -5.112 1.00 0.00 O \r\n> HETATM 2142 C2 LG1 z 1 5.865 -5.659 -8.040 1.00 0.00 C \r\n> HETATM 2143 C3 LG1 z 1 3.828 -6.593 -7.011 1.00 0.00 C \r\n> HETATM 2144 C4 LG1 z 1 9.610 0.497 -4.711 1.00 0.00 C \r\n> HETATM 2145 C5 LG1 z 1 7.804 -1.219 -4.301 1.00 0.00 C \r\n> HETATM 2146 C6 LG1 z 1 5.093 -4.716 -6.025 1.00 0.00 C \r\n> HETATM 2147 C7 LG1 z 1 8.795 -0.240 -3.864 1.00 0.00 C \r\n> HETATM 2148 C8 LG1 z 1 7.754 -2.047 -5.361 1.00 0.00 C \r\n> HETATM 2149 C9 LG1 z 1 2.663 -6.015 -7.752 1.00 0.00 C \r\n> HETATM 2150 C10 LG1 z 1 8.925 -0.013 -2.511 1.00 0.00 C \r\n> HETATM 2151 C11 LG1 z 1 9.840 0.883 -2.007 1.00 0.00 C \r\n> HETATM 2152 O3 LG1 z 1 2.450 -4.824 -7.803 1.00 0.00 O \r\n> HETATM 2153 C12 LG1 z 1 10.509 1.402 -4.210 1.00 0.00 C \r\n> HETATM 2154 C13 LG1 z 1 8.816 -2.125 -6.419 1.00 0.00 C \r\n> HETATM 2155 C14 LG1 z 1 10.619 1.606 -2.867 1.00 0.00 C \r\n> HETATM 2156 C15 LG1 z 1 6.635 -2.943 -5.410 1.00 0.00 C \r\n> HETATM 2157 H13 LG1 z 1 1.302 -6.594 -8.722 1.00 0.00 H \r\n> HETATM 2158 H1 LG1 z 1 4.089 -7.430 -7.424 1.00 0.00 H \r\n> HETATM 2159 H2 LG1 z 1 3.568 -6.778 -6.095 1.00 0.00 H \r\n> HETATM 2160 H3 LG1 z 1 9.544 0.376 -5.630 1.00 0.00 H \r\n> HETATM 2161 H4 LG1 z 1 7.066 -1.283 -3.740 1.00 0.00 H \r\n> HETATM 2162 H5 LG1 z 1 8.378 -0.480 -1.920 1.00 0.00 H \r\n> HETATM 2163 H6 LG1 z 1 9.928 0.997 -1.090 1.00 0.00 H \r\n> HETATM 2164 H7 LG1 z 1 11.050 1.883 -4.795 1.00 0.00 H \r\n> HETATM 2165 H8 LG1 z 1 9.630 -1.736 -6.086 1.00 0.00 H \r\n> HETATM 2166 H9 LG1 z 1 8.972 -3.043 -6.650 1.00 0.00 H \r\n> HETATM 2167 H10 LG1 z 1 8.527 -1.643 -7.198 1.00 0.00 H \r\n> HETATM 2168 H11 LG1 z 1 11.222 2.233 -2.538 1.00 0.00 H \r\n> HETATM 2169 H12 LG1 z 1 6.037 -2.837 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 2171 S1 LG1 ! 1 4.705 -4.420 9.719 1.00 0.00 S \r\n> HETATM 2172 S2 LG1 ! 1 3.537 -6.644 8.152 1.00 0.00 S \r\n> HETATM 2173 N1 LG1 ! 1 2.617 -5.685 10.471 1.00 0.00 N \r\n> HETATM 2174 O1 LG1 ! 1 -0.405 -6.931 9.180 1.00 0.00 O \r\n> HETATM 2175 C1 LG1 ! 1 3.950 -3.901 11.213 1.00 0.00 C \r\n> HETATM 2176 O2 LG1 ! 1 1.973 -4.602 12.373 1.00 0.00 O \r\n> HETATM 2177 C2 LG1 ! 1 3.528 -5.659 9.446 1.00 0.00 C \r\n> HETATM 2178 C3 LG1 ! 1 1.491 -6.593 10.475 1.00 0.00 C \r\n> HETATM 2179 C4 LG1 ! 1 7.273 0.497 12.775 1.00 0.00 C \r\n> HETATM 2180 C5 LG1 ! 1 5.467 -1.219 13.184 1.00 0.00 C \r\n> HETATM 2181 C6 LG1 ! 1 2.756 -4.716 11.460 1.00 0.00 C \r\n> HETATM 2182 C7 LG1 ! 1 6.458 -0.240 13.621 1.00 0.00 C \r\n> HETATM 2183 C8 LG1 ! 1 5.417 -2.047 12.125 1.00 0.00 C \r\n> HETATM 2184 C9 LG1 ! 1 0.326 -6.015 9.734 1.00 0.00 C \r\n> HETATM 2185 C10 LG1 ! 1 6.588 -0.013 14.975 1.00 0.00 C \r\n> HETATM 2186 C11 LG1 ! 1 7.503 0.883 15.478 1.00 0.00 C \r\n> HETATM 2187 O3 LG1 ! 1 0.113 -4.824 9.683 1.00 0.00 O \r\n> HETATM 2188 C12 LG1 ! 1 8.172 1.402 13.275 1.00 0.00 C \r\n> HETATM 2189 C13 LG1 ! 1 6.479 -2.125 11.066 1.00 0.00 C \r\n> HETATM 2190 C14 LG1 ! 1 8.282 1.606 14.619 1.00 0.00 C \r\n> HETATM 2191 C15 LG1 ! 1 4.298 -2.943 12.076 1.00 0.00 C \r\n> HETATM 2192 H13 LG1 ! 1 -1.035 -6.594 8.764 1.00 0.00 H \r\n> HETATM 2193 H1 LG1 ! 1 1.752 -7.430 10.062 1.00 0.00 H \r\n> HETATM 2194 H2 LG1 ! 1 1.231 -6.778 11.390 1.00 0.00 H \r\n> HETATM 2195 H3 LG1 ! 1 7.207 0.376 11.856 1.00 0.00 H \r\n> HETATM 2196 H4 LG1 ! 1 4.729 -1.283 13.746 1.00 0.00 H \r\n> HETATM 2197 H5 LG1 ! 1 6.041 -0.480 15.565 1.00 0.00 H \r\n> HETATM 2198 H6 LG1 ! 1 7.591 0.997 16.396 1.00 0.00 H \r\n> HETATM 2199 H7 LG1 ! 1 8.713 1.883 12.691 1.00 0.00 H \r\n> HETATM 2200 H8 LG1 ! 1 7.293 -1.736 11.399 1.00 0.00 H \r\n> HETATM 2201 H9 LG1 ! 1 6.635 -3.043 10.835 1.00 0.00 H \r\n> HETATM 2202 H10 LG1 ! 1 6.190 -1.643 10.287 1.00 0.00 H \r\n> HETATM 2203 H11 LG1 ! 1 8.885 2.233 14.947 1.00 0.00 H \r\n> HETATM 2204 H12 LG1 ! 1 3.700 -2.837 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2206 S1 LG1 @ 1 7.042 0.917 -7.766 1.00 0.00 S \r\n> HETATM 2207 S2 LG1 @ 1 5.874 -1.307 -9.333 1.00 0.00 S \r\n> HETATM 2208 N1 LG1 @ 1 4.954 -0.348 -7.014 1.00 0.00 N \r\n> HETATM 2209 O1 LG1 @ 1 1.932 -1.593 -8.306 1.00 0.00 O \r\n> HETATM 2210 C1 LG1 @ 1 6.287 1.437 -6.273 1.00 0.00 C \r\n> HETATM 2211 O2 LG1 @ 1 4.310 0.735 -5.112 1.00 0.00 O \r\n> HETATM 2212 C2 LG1 @ 1 5.865 -0.322 -8.040 1.00 0.00 C \r\n> HETATM 2213 C3 LG1 @ 1 3.828 -1.255 -7.011 1.00 0.00 C \r\n> HETATM 2214 C4 LG1 @ 1 9.610 5.835 -4.711 1.00 0.00 C \r\n> HETATM 2215 C5 LG1 @ 1 7.804 4.119 -4.301 1.00 0.00 C \r\n> HETATM 2216 C6 LG1 @ 1 5.093 0.622 -6.025 1.00 0.00 C \r\n> HETATM 2217 C7 LG1 @ 1 8.795 5.098 -3.864 1.00 0.00 C \r\n> HETATM 2218 C8 LG1 @ 1 7.754 3.291 -5.361 1.00 0.00 C \r\n> HETATM 2219 C9 LG1 @ 1 2.663 -0.677 -7.752 1.00 0.00 C \r\n> HETATM 2220 C10 LG1 @ 1 8.925 5.324 -2.511 1.00 0.00 C \r\n> HETATM 2221 C11 LG1 @ 1 9.840 6.221 -2.007 1.00 0.00 C \r\n> HETATM 2222 O3 LG1 @ 1 2.450 0.514 -7.803 1.00 0.00 O \r\n> HETATM 2223 C12 LG1 @ 1 10.509 6.740 -4.210 1.00 0.00 C \r\n> HETATM 2224 C13 LG1 @ 1 8.816 3.213 -6.419 1.00 0.00 C \r\n> HETATM 2225 C14 LG1 @ 1 10.619 6.943 -2.867 1.00 0.00 C \r\n> HETATM 2226 C15 LG1 @ 1 6.635 2.395 -5.410 1.00 0.00 C \r\n> HETATM 2227 H13 LG1 @ 1 1.302 -1.256 -8.722 1.00 0.00 H \r\n> HETATM 2228 H1 LG1 @ 1 4.089 -2.093 -7.424 1.00 0.00 H \r\n> HETATM 2229 H2 LG1 @ 1 3.568 -1.440 -6.095 1.00 0.00 H \r\n> HETATM 2230 H3 LG1 @ 1 9.544 5.713 -5.630 1.00 0.00 H \r\n> HETATM 2231 H4 LG1 @ 1 7.066 4.055 -3.740 1.00 0.00 H \r\n> HETATM 2232 H5 LG1 @ 1 8.378 4.858 -1.920 1.00 0.00 H \r\n> HETATM 2233 H6 LG1 @ 1 9.928 6.335 -1.090 1.00 0.00 H \r\n> HETATM 2234 H7 LG1 @ 1 11.050 7.220 -4.795 1.00 0.00 H \r\n> HETATM 2235 H8 LG1 @ 1 9.630 3.601 -6.086 1.00 0.00 H \r\n> HETATM 2236 H9 LG1 @ 1 8.972 2.294 -6.650 1.00 0.00 H \r\n> HETATM 2237 H10 LG1 @ 1 8.527 3.694 -7.198 1.00 0.00 H \r\n> HETATM 2238 H11 LG1 @ 1 11.222 7.571 -2.538 1.00 0.00 H \r\n> HETATM 2239 H12 LG1 @ 1 6.037 2.501 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 2241 S1 LG1 # 1 4.705 0.917 9.719 1.00 0.00 S \r\n> HETATM 2242 S2 LG1 # 1 3.537 -1.307 8.152 1.00 0.00 S \r\n> HETATM 2243 N1 LG1 # 1 2.617 -0.348 10.471 1.00 0.00 N \r\n> HETATM 2244 O1 LG1 # 1 -0.405 -1.593 9.180 1.00 0.00 O \r\n> HETATM 2245 C1 LG1 # 1 3.950 1.437 11.213 1.00 0.00 C \r\n> HETATM 2246 O2 LG1 # 1 1.973 0.735 12.373 1.00 0.00 O \r\n> HETATM 2247 C2 LG1 # 1 3.528 -0.322 9.446 1.00 0.00 C \r\n> HETATM 2248 C3 LG1 # 1 1.491 -1.255 10.475 1.00 0.00 C \r\n> HETATM 2249 C4 LG1 # 1 7.273 5.835 12.775 1.00 0.00 C \r\n> HETATM 2250 C5 LG1 # 1 5.467 4.119 13.184 1.00 0.00 C \r\n> HETATM 2251 C6 LG1 # 1 2.756 0.622 11.460 1.00 0.00 C \r\n> HETATM 2252 C7 LG1 # 1 6.458 5.098 13.621 1.00 0.00 C \r\n> HETATM 2253 C8 LG1 # 1 5.417 3.291 12.125 1.00 0.00 C \r\n> HETATM 2254 C9 LG1 # 1 0.326 -0.677 9.734 1.00 0.00 C \r\n> HETATM 2255 C10 LG1 # 1 6.588 5.324 14.975 1.00 0.00 C \r\n> HETATM 2256 C11 LG1 # 1 7.503 6.221 15.478 1.00 0.00 C \r\n> HETATM 2257 O3 LG1 # 1 0.113 0.514 9.683 1.00 0.00 O \r\n> HETATM 2258 C12 LG1 # 1 8.172 6.740 13.275 1.00 0.00 C \r\n> HETATM 2259 C13 LG1 # 1 6.479 3.213 11.066 1.00 0.00 C \r\n> HETATM 2260 C14 LG1 # 1 8.282 6.943 14.619 1.00 0.00 C \r\n> HETATM 2261 C15 LG1 # 1 4.298 2.395 12.076 1.00 0.00 C \r\n> HETATM 2262 H13 LG1 # 1 -1.035 -1.256 8.764 1.00 0.00 H \r\n> HETATM 2263 H1 LG1 # 1 1.752 -2.093 10.062 1.00 0.00 H \r\n> HETATM 2264 H2 LG1 # 1 1.231 -1.440 11.390 1.00 0.00 H \r\n> HETATM 2265 H3 LG1 # 1 7.207 5.713 11.856 1.00 0.00 H \r\n> HETATM 2266 H4 LG1 # 1 4.729 4.055 13.746 1.00 0.00 H \r\n> HETATM 2267 H5 LG1 # 1 6.041 4.858 15.565 1.00 0.00 H \r\n> HETATM 2268 H6 LG1 # 1 7.591 6.335 16.396 1.00 0.00 H \r\n> HETATM 2269 H7 LG1 # 1 8.713 7.220 12.691 1.00 0.00 H \r\n> HETATM 2270 H8 LG1 # 1 7.293 3.601 11.399 1.00 0.00 H \r\n> HETATM 2271 H9 LG1 # 1 6.635 2.294 10.835 1.00 0.00 H \r\n> HETATM 2272 H10 LG1 # 1 6.190 3.694 10.287 1.00 0.00 H \r\n> HETATM 2273 H11 LG1 # 1 8.885 7.571 14.947 1.00 0.00 H \r\n> HETATM 2274 H12 LG1 # 1 3.700 2.501 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2276 S1 LG1 $ 1 7.042 6.255 -7.766 1.00 0.00 S \r\n> HETATM 2277 S2 LG1 $ 1 5.874 4.031 -9.333 1.00 0.00 S \r\n> HETATM 2278 N1 LG1 $ 1 4.954 4.989 -7.014 1.00 0.00 N \r\n> HETATM 2279 O1 LG1 $ 1 1.932 3.744 -8.306 1.00 0.00 O \r\n> HETATM 2280 C1 LG1 $ 1 6.287 6.774 -6.273 1.00 0.00 C \r\n> HETATM 2281 O2 LG1 $ 1 4.310 6.073 -5.112 1.00 0.00 O \r\n> HETATM 2282 C2 LG1 $ 1 5.865 5.016 -8.040 1.00 0.00 C \r\n> HETATM 2283 C3 LG1 $ 1 3.828 4.082 -7.011 1.00 0.00 C \r\n> HETATM 2284 C4 LG1 $ 1 9.610 11.172 -4.711 1.00 0.00 C \r\n> HETATM 2285 C5 LG1 $ 1 7.804 9.456 -4.301 1.00 0.00 C \r\n> HETATM 2286 C6 LG1 $ 1 5.093 5.959 -6.025 1.00 0.00 C \r\n> HETATM 2287 C7 LG1 $ 1 8.795 10.435 -3.864 1.00 0.00 C \r\n> HETATM 2288 C8 LG1 $ 1 7.754 8.628 -5.361 1.00 0.00 C \r\n> HETATM 2289 C9 LG1 $ 1 2.663 4.660 -7.752 1.00 0.00 C \r\n> HETATM 2290 C10 LG1 $ 1 8.925 10.662 -2.511 1.00 0.00 C \r\n> HETATM 2291 C11 LG1 $ 1 9.840 11.558 -2.007 1.00 0.00 C \r\n> HETATM 2292 O3 LG1 $ 1 2.450 5.851 -7.803 1.00 0.00 O \r\n> HETATM 2293 C12 LG1 $ 1 10.509 12.077 -4.210 1.00 0.00 C \r\n> HETATM 2294 C13 LG1 $ 1 8.816 8.550 -6.419 1.00 0.00 C \r\n> HETATM 2295 C14 LG1 $ 1 10.619 12.281 -2.867 1.00 0.00 C \r\n> HETATM 2296 C15 LG1 $ 1 6.635 7.732 -5.410 1.00 0.00 C \r\n> HETATM 2297 H13 LG1 $ 1 1.302 4.081 -8.722 1.00 0.00 H \r\n> HETATM 2298 H1 LG1 $ 1 4.089 3.245 -7.424 1.00 0.00 H \r\n> HETATM 2299 H2 LG1 $ 1 3.568 3.897 -6.095 1.00 0.00 H \r\n> HETATM 2300 H3 LG1 $ 1 9.544 11.051 -5.630 1.00 0.00 H \r\n> HETATM 2301 H4 LG1 $ 1 7.066 9.392 -3.740 1.00 0.00 H \r\n> HETATM 2302 H5 LG1 $ 1 8.378 10.195 -1.920 1.00 0.00 H \r\n> HETATM 2303 H6 LG1 $ 1 9.928 11.672 -1.090 1.00 0.00 H \r\n> HETATM 2304 H7 LG1 $ 1 11.050 12.557 -4.795 1.00 0.00 H \r\n> HETATM 2305 H8 LG1 $ 1 9.630 8.939 -6.086 1.00 0.00 H \r\n> HETATM 2306 H9 LG1 $ 1 8.972 7.632 -6.650 1.00 0.00 H \r\n> HETATM 2307 H10 LG1 $ 1 8.527 9.032 -7.198 1.00 0.00 H \r\n> HETATM 2308 H11 LG1 $ 1 11.222 12.908 -2.538 1.00 0.00 H \r\n> HETATM 2309 H12 LG1 $ 1 6.037 7.838 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 2311 S1 LG1 & 1 4.705 6.255 9.719 1.00 0.00 S \r\n> HETATM 2312 S2 LG1 & 1 3.537 4.031 8.152 1.00 0.00 S \r\n> HETATM 2313 N1 LG1 & 1 2.617 4.989 10.471 1.00 0.00 N \r\n> HETATM 2314 O1 LG1 & 1 -0.405 3.744 9.180 1.00 0.00 O \r\n> HETATM 2315 C1 LG1 & 1 3.950 6.774 11.213 1.00 0.00 C \r\n> HETATM 2316 O2 LG1 & 1 1.973 6.073 12.373 1.00 0.00 O \r\n> HETATM 2317 C2 LG1 & 1 3.528 5.016 9.446 1.00 0.00 C \r\n> HETATM 2318 C3 LG1 & 1 1.491 4.082 10.475 1.00 0.00 C \r\n> HETATM 2319 C4 LG1 & 1 7.273 11.172 12.775 1.00 0.00 C \r\n> HETATM 2320 C5 LG1 & 1 5.467 9.456 13.184 1.00 0.00 C \r\n> HETATM 2321 C6 LG1 & 1 2.756 5.959 11.460 1.00 0.00 C \r\n> HETATM 2322 C7 LG1 & 1 6.458 10.435 13.621 1.00 0.00 C \r\n> HETATM 2323 C8 LG1 & 1 5.417 8.628 12.125 1.00 0.00 C \r\n> HETATM 2324 C9 LG1 & 1 0.326 4.660 9.734 1.00 0.00 C \r\n> HETATM 2325 C10 LG1 & 1 6.588 10.662 14.975 1.00 0.00 C \r\n> HETATM 2326 C11 LG1 & 1 7.503 11.558 15.478 1.00 0.00 C \r\n> HETATM 2327 O3 LG1 & 1 0.113 5.851 9.683 1.00 0.00 O \r\n> HETATM 2328 C12 LG1 & 1 8.172 12.077 13.275 1.00 0.00 C \r\n> HETATM 2329 C13 LG1 & 1 6.479 8.550 11.066 1.00 0.00 C \r\n> HETATM 2330 C14 LG1 & 1 8.282 12.281 14.619 1.00 0.00 C \r\n> HETATM 2331 C15 LG1 & 1 4.298 7.732 12.076 1.00 0.00 C \r\n> HETATM 2332 H13 LG1 & 1 -1.035 4.081 8.764 1.00 0.00 H \r\n> HETATM 2333 H1 LG1 & 1 1.752 3.245 10.062 1.00 0.00 H \r\n> HETATM 2334 H2 LG1 & 1 1.231 3.897 11.390 1.00 0.00 H \r\n> HETATM 2335 H3 LG1 & 1 7.207 11.051 11.856 1.00 0.00 H \r\n> HETATM 2336 H4 LG1 & 1 4.729 9.392 13.746 1.00 0.00 H \r\n> HETATM 2337 H5 LG1 & 1 6.041 10.195 15.565 1.00 0.00 H \r\n> HETATM 2338 H6 LG1 & 1 7.591 11.672 16.396 1.00 0.00 H \r\n> HETATM 2339 H7 LG1 & 1 8.713 12.557 12.691 1.00 0.00 H \r\n> HETATM 2340 H8 LG1 & 1 7.293 8.939 11.399 1.00 0.00 H \r\n> HETATM 2341 H9 LG1 & 1 6.635 7.632 10.835 1.00 0.00 H \r\n> HETATM 2342 H10 LG1 & 1 6.190 9.032 10.287 1.00 0.00 H \r\n> HETATM 2343 H11 LG1 & 1 8.885 12.908 14.947 1.00 0.00 H \r\n> HETATM 2344 H12 LG1 & 1 3.700 7.838 12.781 1.00 0.00 H \r\n> TER \r\n> HETATM 2346 S1 LG1 . 1 7.042 11.592 -7.766 1.00 0.00 S \r\n> HETATM 2347 S2 LG1 . 1 5.874 9.368 -9.333 1.00 0.00 S \r\n> HETATM 2348 N1 LG1 . 1 4.954 10.327 -7.014 1.00 0.00 N \r\n> HETATM 2349 O1 LG1 . 1 1.932 9.082 -8.306 1.00 0.00 O \r\n> HETATM 2350 C1 LG1 . 1 6.287 12.112 -6.273 1.00 0.00 C \r\n> HETATM 2351 O2 LG1 . 1 4.310 11.410 -5.112 1.00 0.00 O \r\n> HETATM 2352 C2 LG1 . 1 5.865 10.353 -8.040 1.00 0.00 C \r\n> HETATM 2353 C3 LG1 . 1 3.828 9.420 -7.011 1.00 0.00 C \r\n> HETATM 2354 C4 LG1 . 1 9.610 16.510 -4.711 1.00 0.00 C \r\n> HETATM 2355 C5 LG1 . 1 7.804 14.794 -4.301 1.00 0.00 C \r\n> HETATM 2356 C6 LG1 . 1 5.093 11.296 -6.025 1.00 0.00 C \r\n> HETATM 2357 C7 LG1 . 1 8.795 15.772 -3.864 1.00 0.00 C \r\n> HETATM 2358 C8 LG1 . 1 7.754 13.966 -5.361 1.00 0.00 C \r\n> HETATM 2359 C9 LG1 . 1 2.663 9.998 -7.752 1.00 0.00 C \r\n> HETATM 2360 C10 LG1 . 1 8.925 15.999 -2.511 1.00 0.00 C \r\n> HETATM 2361 C11 LG1 . 1 9.840 16.896 -2.007 1.00 0.00 C \r\n> HETATM 2362 O3 LG1 . 1 2.450 11.189 -7.803 1.00 0.00 O \r\n> HETATM 2363 C12 LG1 . 1 10.509 17.415 -4.210 1.00 0.00 C \r\n> HETATM 2364 C13 LG1 . 1 8.816 13.888 -6.419 1.00 0.00 C \r\n> HETATM 2365 C14 LG1 . 1 10.619 17.618 -2.867 1.00 0.00 C \r\n> HETATM 2366 C15 LG1 . 1 6.635 13.070 -5.410 1.00 0.00 C \r\n> HETATM 2367 H13 LG1 . 1 1.302 9.419 -8.722 1.00 0.00 H \r\n> HETATM 2368 H1 LG1 . 1 4.089 8.582 -7.424 1.00 0.00 H \r\n> HETATM 2369 H2 LG1 . 1 3.568 9.235 -6.095 1.00 0.00 H \r\n> HETATM 2370 H3 LG1 . 1 9.544 16.388 -5.630 1.00 0.00 H \r\n> HETATM 2371 H4 LG1 . 1 7.066 14.730 -3.740 1.00 0.00 H \r\n> HETATM 2372 H5 LG1 . 1 8.378 15.533 -1.920 1.00 0.00 H \r\n> HETATM 2373 H6 LG1 . 1 9.928 17.010 -1.090 1.00 0.00 H \r\n> HETATM 2374 H7 LG1 . 1 11.050 17.895 -4.795 1.00 0.00 H \r\n> HETATM 2375 H8 LG1 . 1 9.630 14.276 -6.086 1.00 0.00 H \r\n> HETATM 2376 H9 LG1 . 1 8.972 12.969 -6.650 1.00 0.00 H \r\n> HETATM 2377 H10 LG1 . 1 8.527 14.369 -7.198 1.00 0.00 H \r\n> HETATM 2378 H11 LG1 . 1 11.222 18.246 -2.538 1.00 0.00 H \r\n> HETATM 2379 H12 LG1 . 1 6.037 13.176 -4.705 1.00 0.00 H \r\n> TER \r\n> HETATM 2381 S1 LG1 < 1 4.705 11.592 9.719 1.00 0.00 S \r\n> HETATM 2382 S2 LG1 < 1 3.537 9.368 8.152 1.00 0.00 S \r\n> HETATM 2383 N1 LG1 < 1 2.617 10.327 10.471 1.00 0.00 N \r\n> HETATM 2384 O1 LG1 < 1 -0.405 9.082 9.180 1.00 0.00 O \r\n> HETATM 2385 C1 LG1 < 1 3.950 12.112 11.213 1.00 0.00 C \r\n> HETATM 2386 O2 LG1 < 1 1.973 11.410 12.373 1.00 0.00 O \r\n> HETATM 2387 C2 LG1 < 1 3.528 10.353 9.446 1.00 0.00 C \r\n> HETATM 2388 C3 LG1 < 1 1.491 9.420 10.475 1.00 0.00 C \r\n> HETATM 2389 C4 LG1 < 1 7.273 16.510 12.775 1.00 0.00 C \r\n> HETATM 2390 C5 LG1 < 1 5.467 14.794 13.184 1.00 0.00 C \r\n> HETATM 2391 C6 LG1 < 1 2.756 11.296 11.460 1.00 0.00 C \r\n> HETATM 2392 C7 LG1 < 1 6.458 15.772 13.621 1.00 0.00 C \r\n> HETATM 2393 C8 LG1 < 1 5.417 13.966 12.125 1.00 0.00 C \r\n> HETATM 2394 C9 LG1 < 1 0.326 9.998 9.734 1.00 0.00 C \r\n> HETATM 2395 C10 LG1 < 1 6.588 15.999 14.975 1.00 0.00 C \r\n> HETATM 2396 C11 LG1 < 1 7.503 16.896 15.478 1.00 0.00 C \r\n> HETATM 2397 O3 LG1 < 1 0.113 11.189 9.683 1.00 0.00 O \r\n> HETATM 2398 C12 LG1 < 1 8.172 17.415 13.275 1.00 0.00 C \r\n> HETATM 2399 C13 LG1 < 1 6.479 13.888 11.066 1.00 0.00 C \r\n> HETATM 2400 C14 LG1 < 1 8.282 17.618 14.619 1.00 0.00 C \r\n> HETATM 2401 C15 LG1 < 1 4.298 13.070 12.076 1.00 0.00 C \r\n> HETATM 2402 H13 LG1 < 1 -1.035 9.419 8.764 1.00 0.00 H \r\n> HETATM 2403 H1 LG1 < 1 1.752 8.582 10.062 1.00 0.00 H \r\n> HETATM 2404 H2 LG1 < 1 1.231 9.235 11.390 1.00 0.00 H \r\n> HETATM 2405 H3 LG1 < 1 7.207 16.388 11.856 1.00 0.00 H \r\n> HETATM 2406 H4 LG1 < 1 4.729 14.730 13.746 1.00 0.00 H \r\n> HETATM 2407 H5 LG1 < 1 6.041 15.533 15.565 1.00 0.00 H \r\n> HETATM 2408 H6 LG1 < 1 7.591 17.010 16.396 1.00 0.00 H \r\n> HETATM 2409 H7 LG1 < 1 8.713 17.895 12.691 1.00 0.00 H \r\n> HETATM 2410 H8 LG1 < 1 7.293 14.276 11.399 1.00 0.00 H \r\n> HETATM 2411 H9 LG1 < 1 6.635 12.969 10.835 1.00 0.00 H \r\n> HETATM 2412 H10 LG1 < 1 6.190 14.369 10.287 1.00 0.00 H \r\n> HETATM 2413 H11 LG1 < 1 8.885 18.246 14.947 1.00 0.00 H \r\n> HETATM 2414 H12 LG1 < 1 3.700 13.176 12.781 1.00 0.00 H \r\n4768,4769c4768,4769\r\n< pose -52.8536 6.22724 -17.4204 38.7527 0 0 0 0 -18.0099 -3.96979 0 0 0 0 0 0 0 0 0 8.9393 -38.3344\r\n< LG1_1 -26.4268 3.11362 -17.4204 38.7527 0 0 0 0 -9.00495 -1.98489 0 0 0 0 0 0 0 0 0 8.9393 -4.03142\r\n---\r\n> pose -53.0008 6.07198 -17.4149 39.1007 0 0 0 0 -17.9953 -4.05519 0 0 0 0 0 0 0 0 0 8.84292 -38.4506\r\n> LG1_1 -26.5004 3.03599 -17.4149 39.1007 0 0 0 0 -8.99767 -2.02759 0 0 0 0 0 0 0 0 0 8.84292 -3.96092\r\n4777c4777\r\n< LG1_9 -5.50691 0.51531 0 0 0 0 0 0 0 -0.0857 0 0 0 0 0 0 0 0 0 0 -5.07729\r\n---\r\n> LG1_9 -5.57786 0.52913 0 0 0 0 0 0 0 -0.08813 0 0 0 0 0 0 0 0 0 0 -5.13686\r\n4780c4780\r\n< LG1_12 -5.50691 0.51531 0 0 0 0 0 0 0 -0.0857 0 0 0 0 0 0 0 0 0 0 -5.07729\r\n---\r\n> LG1_12 -5.57786 0.52913 0 0 0 0 0 0 0 -0.08813 0 0 0 0 0 0 0 0 0 0 -5.13686\r\n4789c4789\r\n< LG1_21 -0.65039 0.0044 0 0 0 0 0 0 0 0.0261 0 0 0 0 0 0 0 0 0 0 -0.61989\r\n---\r\n> LG1_21 -0.67001 0.00861 0 0 0 0 0 0 0 0.02517 0 0 0 0 0 0 0 0 0 0 -0.63623\r\n4791c4791\r\n< LG1_23 -1.53865 0.32095 0 0 0 0 0 0 0 -0.31725 0 0 0 0 0 0 0 0 0 0 -1.53495\r\n---\r\n> LG1_23 -1.52305 0.29256 0 0 0 0 0 0 0 -0.31943 0 0 0 0 0 0 0 0 0 0 -1.54991\r\n4793c4793\r\n< LG1_25 -1.53865 0.32095 0 0 0 0 0 0 0 -0.31725 0 0 0 0 0 0 0 0 0 0 -1.53495\r\n---\r\n> LG1_25 -1.52305 0.29256 0 0 0 0 0 0 0 -0.31943 0 0 0 0 0 0 0 0 0 0 -1.54991\r\n4795c4795\r\n< LG1_27 -0.65039 0.0044 0 0 0 0 0 0 0 0.0261 0 0 0 0 0 0 0 0 0 0 -0.61989\r\n---\r\n> LG1_27 -0.67001 0.00861 0 0 0 0 0 0 0 0.02517 0 0 0 0 0 0 0 0 0 0 -0.63623\r\n4797c4797\r\n< LG1_29 -0.01523 0 0 0 0 0 0 0 0 0.0036 0 0 0 0 0 0 0 0 0 0 -0.01163\r\n---\r\n> LG1_29 -0.01583 0 0 0 0 0 0 0 0 0.00375 0 0 0 0 0 0 0 0 0 0 -0.01207\r\n4799c4799\r\n< LG1_31 -1.24109 0.11299 0 0 0 0 0 0 0 -0.02874 0 0 0 0 0 0 0 0 0 0 -1.15684\r\n---\r\n> LG1_31 -1.19885 0.11204 0 0 0 0 0 0 0 -0.02725 0 0 0 0 0 0 0 0 0 0 -1.11406\r\n4801,4802c4801,4802\r\n< LG1_33 -1.24109 0.11299 0 0 0 0 0 0 0 -0.02874 0 0 0 0 0 0 0 0 0 0 -1.15684\r\n< LG1_34 -0.01523 0 0 0 0 0 0 0 0 0.0036 0 0 0 0 0 0 0 0 0 0 -0.01163\r\n---\r\n> LG1_33 -1.19885 0.11204 0 0 0 0 0 0 0 -0.02725 0 0 0 0 0 0 0 0 0 0 -1.11406\r\n> LG1_34 -0.01583 0 0 0 0 0 0 0 0 0.00375 0 0 0 0 0 0 0 0 0 0 -0.01207\r\n4805,4807c4805,4807\r\n< LG1_37 -0.00321 0 0 0 0 0 0 0 0 0.00331 0 0 0 0 0 0 0 0 0 0 0.0001\r\n< LG1_38 -0.72276 0.07397 0 0 0 0 0 0 -9.00495 -1.03489 0 0 0 0 0 0 0 0 0 0 -10.6886\r\n< LG1_39 -0.2418 0.0102 0 0 0 0 0 0 0 -0.09901 0 0 0 0 0 0 0 0 0 0 -0.33061\r\n---\r\n> LG1_37 -0.00311 0 0 0 0 0 0 0 0 0.00287 0 0 0 0 0 0 0 0 0 0 -0.00024\r\n> LG1_38 -0.72486 0.0777 0 0 0 0 0 0 -8.99767 -1.0544 0 0 0 0 0 0 0 0 0 0 -10.6992\r\n> LG1_39 -0.25064 0.01569 0 0 0 0 0 0 0 -0.09863 0 0 0 0 0 0 0 0 0 0 -0.33357\r\n4811c4811\r\n< LG1_43 -0.01121 0 0 0 0 0 0 0 0 0.00344 0 0 0 0 0 0 0 0 0 0 -0.00777\r\n---\r\n> LG1_43 -0.00881 0 0 0 0 0 0 0 0 0.00325 0 0 0 0 0 0 0 0 0 0 -0.00556\r\n4813c4813\r\n< LG1_45 -1.79374 0.13668 0 0 0 0 0 0 0 0.00322 0 0 0 0 0 0 0 0 0 0 -1.65385\r\n---\r\n> LG1_45 -1.72872 0.09792 0 0 0 0 0 0 0 0.00364 0 0 0 0 0 0 0 0 0 0 -1.62716\r\n4815c4815\r\n< LG1_47 -1.35216 0.30833 0 0 0 0 0 0 0 -0.00729 0 0 0 0 0 0 0 0 0 0 -1.05112\r\n---\r\n> LG1_47 -1.34649 0.31623 0 0 0 0 0 0 0 -0.00664 0 0 0 0 0 0 0 0 0 0 -1.0369\r\n4821c4821\r\n< LG1_53 -1.08778 0.18526 0 0 0 0 0 0 0 -0.03632 0 0 0 0 0 0 0 0 0 0 -0.93883\r\n---\r\n> LG1_53 -1.10814 0.17298 0 0 0 0 0 0 0 -0.04097 0 0 0 0 0 0 0 0 0 0 -0.97612\r\n4823c4823\r\n< LG1_55 -1.11088 0.1533 0 0 0 0 0 0 0 0.01147 0 0 0 0 0 0 0 0 0 0 -0.94611\r\n---\r\n> LG1_55 -1.12512 0.14891 0 0 0 0 0 0 0 0.00801 0 0 0 0 0 0 0 0 0 0 -0.9682\r\n4831c4831\r\n< LG1_63 -1.08778 0.18526 0 0 0 0 0 0 0 -0.03632 0 0 0 0 0 0 0 0 0 0 -0.93883\r\n---\r\n> LG1_63 -1.10814 0.17298 0 0 0 0 0 0 0 -0.04097 0 0 0 0 0 0 0 0 0 0 -0.97612\r\n4833c4833\r\n< LG1_65 -1.11088 0.1533 0 0 0 0 0 0 0 0.01147 0 0 0 0 0 0 0 0 0 0 -0.94611\r\n---\r\n> LG1_65 -1.12512 0.14891 0 0 0 0 0 0 0 0.00801 0 0 0 0 0 0 0 0 0 0 -0.9682\r\n5643,5644c5643,5644\r\n< crystRMS 0.416195\r\n< crystScore -38.3344\r\n---\r\n> crystRMS 0.417163\r\n> crystScore -38.4506\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:61987/small_molecule_lattice_dock/log /home/benchmark/working_dir/master:61988/small_molecule_lattice_dock/log\r\n325,329c325,328\r\n< core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 20 EXCEEDED, BUT FUNC NOT CONVERGED!\r\n< protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -38.3334 -38.3334\r\n< protocols.moves.TrialCounter: lattice trials= 1; accepts= 1.0000; energy_drop/trial= -0.27601\r\n< protocols.moves.TrialCounter: rb trials= 9; accepts= 0.7778; energy_drop/trial= -0.66165\r\n< protocols.cryst.refinable_lattice: A,B,C, alpha,beta,gamma:14.6462,5.34551,17.6828 , 90,97.0547,90\r\n---\r\n> protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -38.4499 -38.4499\r\n> protocols.moves.TrialCounter: lattice trials= 1 NO ACCEPTS.\r\n> protocols.moves.TrialCounter: rb trials= 9; accepts= 0.8889; energy_drop/trial= -0.70526\r\n> protocols.cryst.refinable_lattice: A,B,C, alpha,beta,gamma:14.7206,5.33683,17.6411 , 90,97.6131,90\r\n332,334c331,333\r\n< protocols.cryst.refinable_lattice: volume: 1373.94\r\n< protocols.cryst.refinable_lattice: occ: 1.14377\r\n< spacegroup: Overriding input crystal parameters [ 14.6462,5.34551,17.6828 , 90,97.0547,90 ] with [ 14.6462,5.34551,17.6828 , 90,97.0547,90 ]\r\n---\r\n> protocols.cryst.refinable_lattice: volume: 1373.69\r\n> protocols.cryst.refinable_lattice: occ: 1.14398\r\n> spacegroup: Overriding input crystal parameters [ 14.7206,5.33683,17.6411 , 90,97.6131,90 ] with [ 14.7206,5.33683,17.6411 , 90,97.6131,90 ]\r\n344,345c343,344\r\n< protocols.cryst.refinable_lattice: After refinement score = -38.3334\r\n< protocols.cryst.refinable_lattice: after regen score = -38.3334\r\n---\r\n> protocols.cryst.refinable_lattice: After refinement score = -38.4499\r\n> protocols.cryst.refinable_lattice: after regen score = -38.4499\r\n355c354\r\n< protocols.cryst.refinable_lattice: rms = 0.419783\r\n---\r\n> protocols.cryst.refinable_lattice: rms = 0.417822\r\n",
"state": "failed"
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"smallmover_resselector": {
"log": "",
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},
"smart_annealer": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"splice_in_4loops_shorter": {
"log": "",
"state": "passed"
},
"splice_out_H1_H2_longer": {
"log": "",
"state": "passed"
},
"splice_out_H1_H2_same": {
"log": "",
"state": "passed"
},
"splice_out_H1_H2_shorter": {
"log": "",
"state": "passed"
},
"splice_out_H3_longer": {
"log": "",
"state": "passed"
},
"splice_out_H3_same": {
"log": "",
"state": "passed"
},
"splice_out_H3_shorter": {
"log": "",
"state": "passed"
},
"splice_out_L1_L2_longer": {
"log": "",
"state": "passed"
},
"splice_out_L1_L2_same": {
"log": "",
"state": "passed"
},
"splice_out_L1_L2_shorter": {
"log": "",
"state": "passed"
},
"splice_out_L3_longer": {
"log": "",
"state": "passed"
},
"splice_out_L3_same": {
"log": "",
"state": "passed"
},
"splice_out_L3_shorter": {
"log": "",
"state": "passed"
},
"startfrom_file": {
"log": "",
"state": "passed"
},
"stepwise_lores": {
"log": "",
"state": "passed"
},
"stored_residue_subset": {
"log": "",
"state": "passed"
},
"struc_set_fragment_picker": {
"log": "",
"state": "passed"
},
"super_aln": {
"log": "",
"state": "passed"
},
"supercharge": {
"log": "",
"state": "passed"
},
"surface_docking": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swa_protein_build_at_Cterminus": {
"log": "",
"state": "passed"
},
"swa_protein_build_at_Nterminus": {
"log": "",
"state": "passed"
},
"swa_protein_cluster": {
"log": "",
"state": "passed"
},
"swa_protein_combine_loops": {
"log": "",
"state": "passed"
},
"swa_protein_loop_sampler": {
"log": "",
"state": "passed"
},
"swa_protein_prepack": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swa_rna_gagu_05_prepend_to_5primeterminus": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_06_append_to_3primeterminus": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swa_rna_gagu_09_sample_virtual_ribose": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_10_prepend_and_ccd_close": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swa_rna_gagu_15_combine_long_loop_sampling": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_17_append_floating_base": {
"log": "",
"state": "passed"
},
"swa_rna_gagu_18_rebuild_bulge": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swa_rna_gagu_22_prepend_and_kic_close": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swm_add_rosettascripts": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swm_build_full_model": {
"log": "",
"state": "passed"
},
"swm_dna_bridge": {
"log": "",
"state": "passed"
},
"swm_dna_loop": {
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},
"swm_general_polymer_sampler": {
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"state": "passed"
},
"swm_l_rna": {
"log": "",
"state": "passed"
},
"swm_protein_CCDmove": {
"log": "",
"state": "passed"
},
"swm_protein_from_scratch": {
"log": "",
"state": "passed"
},
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"state": "passed"
},
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"log": "",
"state": "passed"
},
"swm_protein_move_inside_helix_by_bond": {
"log": "",
"state": "passed"
},
"swm_protein_preminimize": {
"log": "",
"state": "passed"
},
"swm_rna_base_pair_constraints": {
"log": "",
"state": "passed"
},
"swm_rna_checkpoint_partition": {
"log": "",
"state": "passed"
},
"swm_rna_fourwayjunction": {
"log": "",
"state": "passed"
},
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"log": "",
"state": "passed"
},
"swm_rna_move_align_dock": {
"log": "",
"state": "passed"
},
"swm_rna_move_inside_helix_by_bond": {
"log": "",
"state": "passed"
},
"swm_rna_move_inside_helix_by_jump": {
"log": "",
"state": "passed"
},
"swm_rna_move_two_strands": {
"log": "",
"state": "passed"
},
"swm_rna_nickedhelix": {
"log": "",
"state": "passed"
},
"swm_rna_protonated_adenosine": {
"log": "",
"state": "passed"
},
"swm_rna_singleloop": {
"log": "",
"state": "passed"
},
"swm_rna_srl_triplet": {
"log": "",
"state": "passed"
},
"symm_disulfidize": {
"log": "",
"state": "passed"
},
"symm_rotamer_boltzmann": {
"log": "",
"state": "passed"
},
"symmetric_cycpep_align_and_symmetrize": {
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"state": "passed"
},
"symmetric_docking": {
"log": "",
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},
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"log": "",
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},
"symmetry_data_resource": {
"log": "",
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},
"symmetry_multicomponent": {
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},
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},
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},
"tcrmodel": {
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},
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},
"tensorflow_connection_test": {
"log": "",
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},
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},
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},
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},
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},
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},
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},
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"log": "",
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},
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},
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},
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},
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},
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},
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},
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},
"trRosetta": {
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},
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},
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},
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},
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},
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},
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},
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"log": "",
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},
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},
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},
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},
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"state": "passed"
},
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"log": "",
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},
"validate_database": {
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},
"vancomycin": {
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},
"vip": {
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},
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},
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"log": "",
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},
"write_mol_file": {
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},
"zinc_heterodimer": {
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},
"zinc_homodimer_design": {
"log": "",
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},
"zinc_homodimer_setup": {
"log": "",
"state": "passed"
}
}
}