SubTest integration.zinc_homodimer

Branch: rosetta:commits 「revision: №20736」
Test: mac.clang.python39.integration
SubTest: zinc_homodimer_design
SubTest files: 「file-system-view」
Daemon: hojo-4
State: zinc_homodimer_design

Brief Diff: Files /home/benchmark/working_dir/main:62155/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0001.pdb and /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0001.pdb differ Files /home/benchmark/working_dir/main:62155/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0002.pdb and /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0002.pdb differ Files /home/benchmark/working_dir/main:62155/zinc_homodimer_design/log and /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/log differ Files /home/benchmark/working_dir/main:62155/zinc_homodimer_design/sym.pdb and /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/sym.pdb differ Full Diff: diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62155/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0001.pdb /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0001.pdb 12,754c12,748 < ATOM 1 N GLY A 1 -5.570 14.621 1.255 1.00 0.00 N < ATOM 2 CA GLY A 1 -4.271 14.235 1.869 1.00 0.00 C < ATOM 3 C GLY A 1 -4.372 13.159 2.931 1.00 0.00 C < ATOM 4 O GLY A 1 -4.079 11.996 2.665 1.00 0.00 O < ATOM 5 1H GLY A 1 -5.894 15.565 1.322 1.00 0.00 H < ATOM 6 2H GLY A 1 -5.710 14.510 0.270 1.00 0.00 H < ATOM 7 3H GLY A 1 -6.415 14.177 1.552 1.00 0.00 H < ATOM 8 1HA GLY A 1 -3.606 13.861 1.089 1.00 0.00 H < ATOM 9 2HA GLY A 1 -3.824 15.112 2.336 1.00 0.00 H < ATOM 10 N SER A 2 -4.788 13.550 4.135 1.00 0.00 N < ATOM 11 CA SER A 2 -4.819 12.649 5.294 1.00 0.00 C < ATOM 12 C SER A 2 -5.358 11.240 5.013 1.00 0.00 C < ATOM 13 O SER A 2 -4.672 10.264 5.306 1.00 0.00 O < ATOM 14 CB SER A 2 -5.640 13.292 6.395 1.00 0.00 C < ATOM 15 OG SER A 2 -5.027 14.444 6.904 1.00 0.00 O < ATOM 16 H SER A 2 -5.093 14.505 4.246 1.00 0.00 H < ATOM 17 HA SER A 2 -3.846 12.528 5.774 1.00 0.00 H < ATOM 18 1HB SER A 2 -6.616 13.557 5.991 1.00 0.00 H < ATOM 19 2HB SER A 2 -5.766 12.571 7.202 1.00 0.00 H < ATOM 20 HG SER A 2 -4.196 14.593 6.445 1.00 0.00 H < ATOM 21 N PRO A 3 -6.584 11.123 4.472 1.00 0.00 N < ATOM 22 CA PRO A 3 -7.151 9.779 4.286 1.00 0.00 C < ATOM 23 C PRO A 3 -6.360 8.908 3.294 1.00 0.00 C < ATOM 24 O PRO A 3 -6.436 7.673 3.363 1.00 0.00 O < ATOM 25 CB PRO A 3 -8.571 10.060 3.784 1.00 0.00 C < ATOM 26 CG PRO A 3 -8.494 11.427 3.197 1.00 0.00 C < ATOM 27 CD PRO A 3 -7.579 12.202 4.106 1.00 0.00 C < ATOM 28 HA PRO A 3 -7.146 9.183 5.210 1.00 0.00 H < ATOM 29 1HB PRO A 3 -8.885 9.321 3.032 1.00 0.00 H < ATOM 30 2HB PRO A 3 -9.304 10.019 4.603 1.00 0.00 H < ATOM 31 1HG PRO A 3 -8.099 11.398 2.170 1.00 0.00 H < ATOM 32 2HG PRO A 3 -9.488 11.894 3.145 1.00 0.00 H < ATOM 33 1HD PRO A 3 -7.122 13.065 3.600 1.00 0.00 H < ATOM 34 2HD PRO A 3 -8.104 12.589 4.991 1.00 0.00 H < ATOM 35 N LEU A 4 -5.614 9.541 2.389 1.00 0.00 N < ATOM 36 CA LEU A 4 -4.775 8.814 1.424 1.00 0.00 C < ATOM 37 C LEU A 4 -3.536 8.230 2.096 1.00 0.00 C < ATOM 38 O LEU A 4 -3.175 7.076 1.858 1.00 0.00 O < ATOM 39 CB LEU A 4 -4.364 9.739 0.271 1.00 0.00 C < ATOM 40 CG LEU A 4 -5.496 10.128 -0.688 1.00 0.00 C < ATOM 41 CD1 LEU A 4 -5.002 11.169 -1.684 1.00 0.00 C < ATOM 42 CD2 LEU A 4 -6.000 8.888 -1.411 1.00 0.00 C < ATOM 43 H LEU A 4 -5.627 10.550 2.367 1.00 0.00 H < ATOM 44 HA LEU A 4 -5.332 7.971 1.017 1.00 0.00 H < ATOM 45 1HB LEU A 4 -4.046 10.607 0.845 1.00 0.00 H < ATOM 46 2HB LEU A 4 -3.515 9.340 -0.285 1.00 0.00 H < ATOM 47 HG LEU A 4 -6.314 10.517 -0.083 1.00 0.00 H < ATOM 48 1HD1 LEU A 4 -5.812 11.439 -2.362 1.00 0.00 H < ATOM 49 2HD1 LEU A 4 -4.668 12.057 -1.147 1.00 0.00 H < ATOM 50 3HD1 LEU A 4 -4.172 10.758 -2.259 1.00 0.00 H < ATOM 51 1HD2 LEU A 4 -6.805 9.166 -2.092 1.00 0.00 H < ATOM 52 2HD2 LEU A 4 -5.184 8.438 -1.978 1.00 0.00 H < ATOM 53 3HD2 LEU A 4 -6.374 8.168 -0.684 1.00 0.00 H < ATOM 54 N LEU A 5 -2.874 9.028 2.928 1.00 0.00 N < ATOM 55 CA LEU A 5 -1.694 8.560 3.648 1.00 0.00 C < ATOM 56 C LEU A 5 -2.051 7.451 4.648 1.00 0.00 C < ATOM 57 O LEU A 5 -1.302 6.489 4.804 1.00 0.00 O < ATOM 58 CB LEU A 5 -1.018 9.734 4.367 1.00 0.00 C < ATOM 59 CG LEU A 5 0.318 9.402 5.046 1.00 0.00 C < ATOM 60 CD1 LEU A 5 1.319 8.905 4.012 1.00 0.00 C < ATOM 61 CD2 LEU A 5 0.847 10.637 5.760 1.00 0.00 C < ATOM 62 H LEU A 5 -3.190 9.977 3.067 1.00 0.00 H < ATOM 63 HA LEU A 5 -0.987 8.120 2.944 1.00 0.00 H < ATOM 64 1HB LEU A 5 -0.850 10.390 3.515 1.00 0.00 H < ATOM 65 2HB LEU A 5 -1.692 10.217 5.072 1.00 0.00 H < ATOM 66 HG LEU A 5 0.118 8.641 5.801 1.00 0.00 H < ATOM 67 1HD1 LEU A 5 2.265 8.671 4.502 1.00 0.00 H < ATOM 68 2HD1 LEU A 5 0.930 8.007 3.531 1.00 0.00 H < ATOM 69 3HD1 LEU A 5 1.482 9.678 3.262 1.00 0.00 H < ATOM 70 1HD2 LEU A 5 1.795 10.398 6.242 1.00 0.00 H < ATOM 71 2HD2 LEU A 5 0.997 11.438 5.036 1.00 0.00 H < ATOM 72 3HD2 LEU A 5 0.127 10.958 6.513 1.00 0.00 H < ATOM 73 N GLN A 6 -3.187 7.591 5.324 1.00 0.00 N < ATOM 74 CA GLN A 6 -3.659 6.572 6.267 1.00 0.00 C < ATOM 75 C GLN A 6 -3.881 5.233 5.557 1.00 0.00 C < ATOM 76 O GLN A 6 -3.505 4.172 6.074 1.00 0.00 O < ATOM 77 CB GLN A 6 -4.957 7.024 6.942 1.00 0.00 C < ATOM 78 CG GLN A 6 -4.773 8.128 7.968 1.00 0.00 C < ATOM 79 CD GLN A 6 -6.094 8.656 8.494 1.00 0.00 C < ATOM 80 OE1 GLN A 6 -7.167 8.265 8.023 1.00 0.00 O < ATOM 81 NE2 GLN A 6 -6.026 9.551 9.474 1.00 0.00 N < ATOM 82 H GLN A 6 -3.739 8.425 5.183 1.00 0.00 H < ATOM 83 HA GLN A 6 -2.900 6.401 7.029 1.00 0.00 H < ATOM 84 1HB GLN A 6 -5.622 7.364 6.148 1.00 0.00 H < ATOM 85 2HB GLN A 6 -5.385 6.144 7.421 1.00 0.00 H < ATOM 86 1HG GLN A 6 -4.088 8.042 8.811 1.00 0.00 H < ATOM 87 2HG GLN A 6 -4.376 8.848 7.251 1.00 0.00 H < ATOM 88 1HE2 GLN A 6 -6.866 9.934 9.860 1.00 0.00 H < ATOM 89 2HE2 GLN A 6 -5.137 9.842 9.825 1.00 0.00 H < ATOM 90 N GLN A 7 -4.492 5.289 4.375 1.00 0.00 N < ATOM 91 CA GLN A 7 -4.737 4.092 3.559 1.00 0.00 C < ATOM 92 C GLN A 7 -3.428 3.498 3.057 1.00 0.00 C < ATOM 93 O GLN A 7 -3.265 2.275 3.025 1.00 0.00 O < ATOM 94 CB GLN A 7 -5.641 4.424 2.368 1.00 0.00 C < ATOM 95 CG GLN A 7 -6.073 3.212 1.559 1.00 0.00 C < ATOM 96 CD GLN A 7 -6.982 2.286 2.344 1.00 0.00 C < ATOM 97 OE1 GLN A 7 -7.936 2.729 2.989 1.00 0.00 O < ATOM 98 NE2 GLN A 7 -6.687 0.992 2.298 1.00 0.00 N < ATOM 99 H GLN A 7 -4.796 6.188 4.032 1.00 0.00 H < ATOM 100 HA GLN A 7 -5.216 3.326 4.168 1.00 0.00 H < ATOM 101 1HB GLN A 7 -6.518 4.931 2.770 1.00 0.00 H < ATOM 102 2HB GLN A 7 -5.084 5.111 1.732 1.00 0.00 H < ATOM 103 1HG GLN A 7 -6.469 3.289 0.547 1.00 0.00 H < ATOM 104 2HG GLN A 7 -5.076 2.771 1.525 1.00 0.00 H < ATOM 105 1HE2 GLN A 7 -7.250 0.332 2.795 1.00 0.00 H < ATOM 106 2HE2 GLN A 7 -5.903 0.675 1.764 1.00 0.00 H < ATOM 107 N ILE A 8 -2.499 4.364 2.662 1.00 0.00 N < ATOM 108 CA ILE A 8 -1.152 3.950 2.261 1.00 0.00 C < ATOM 109 C ILE A 8 -0.422 3.218 3.400 1.00 0.00 C < ATOM 110 O ILE A 8 0.203 2.175 3.163 1.00 0.00 O < ATOM 111 CB ILE A 8 -0.306 5.157 1.814 1.00 0.00 C < ATOM 112 CG1 ILE A 8 -0.779 5.663 0.448 1.00 0.00 C < ATOM 113 CG2 ILE A 8 1.168 4.784 1.766 1.00 0.00 C < ATOM 114 CD1 ILE A 8 -0.212 7.012 0.069 1.00 0.00 C < ATOM 115 H ILE A 8 -2.740 5.345 2.639 1.00 0.00 H < ATOM 116 HA ILE A 8 -1.199 3.219 1.455 1.00 0.00 H < ATOM 117 HB ILE A 8 -0.452 5.973 2.518 1.00 0.00 H < ATOM 118 1HG1 ILE A 8 -0.481 4.921 -0.294 1.00 0.00 H < ATOM 119 2HG1 ILE A 8 -1.866 5.722 0.484 1.00 0.00 H < ATOM 120 1HG2 ILE A 8 1.752 5.647 1.447 1.00 0.00 H < ATOM 121 2HG2 ILE A 8 1.496 4.470 2.755 1.00 0.00 H < ATOM 122 3HG2 ILE A 8 1.314 3.966 1.059 1.00 0.00 H < ATOM 123 1HD1 ILE A 8 -0.592 7.305 -0.910 1.00 0.00 H < ATOM 124 2HD1 ILE A 8 -0.511 7.755 0.809 1.00 0.00 H < ATOM 125 3HD1 ILE A 8 0.875 6.955 0.031 1.00 0.00 H < ATOM 126 N HIS A 9 -0.505 3.747 4.623 1.00 0.00 N < ATOM 127 CA HIS A 9 0.110 3.090 5.789 1.00 0.00 C < ATOM 128 C HIS A 9 -0.534 1.724 6.041 1.00 0.00 C < ATOM 129 O HIS A 9 0.141 0.750 6.388 1.00 0.00 O < ATOM 130 CB HIS A 9 -0.020 3.963 7.041 1.00 0.00 C < ATOM 131 CG HIS A 9 0.935 5.115 7.073 1.00 0.00 C < ATOM 132 ND1 HIS A 9 0.821 6.151 7.977 1.00 0.00 N < ATOM 133 CD2 HIS A 9 2.020 5.396 6.313 1.00 0.00 C < ATOM 134 CE1 HIS A 9 1.796 7.019 7.771 1.00 0.00 C < ATOM 135 NE2 HIS A 9 2.536 6.585 6.768 1.00 0.00 N < ATOM 136 H HIS A 9 -1.001 4.616 4.753 1.00 0.00 H < ATOM 137 HA HIS A 9 1.167 2.910 5.592 1.00 0.00 H < ATOM 138 1HB HIS A 9 -1.034 4.358 7.106 1.00 0.00 H < ATOM 139 2HB HIS A 9 0.151 3.354 7.928 1.00 0.00 H < ATOM 140 HD2 HIS A 9 2.410 4.792 5.493 1.00 0.00 H < ATOM 141 HE1 HIS A 9 1.962 7.938 8.334 1.00 0.00 H < ATOM 142 HE2 HIS A 9 3.351 7.047 6.391 1.00 0.00 H < ATOM 143 N ASN A 10 -1.853 1.675 5.898 1.00 0.00 N < ATOM 144 CA ASN A 10 -2.598 0.434 6.079 1.00 0.00 C < ATOM 145 C ASN A 10 -2.214 -0.640 5.065 1.00 0.00 C < ATOM 146 O ASN A 10 -1.983 -1.784 5.455 1.00 0.00 O < ATOM 147 CB ASN A 10 -4.093 0.686 6.021 1.00 0.00 C < ATOM 148 CG ASN A 10 -4.636 1.390 7.234 1.00 0.00 C < ATOM 149 OD1 ASN A 10 -4.019 1.390 8.305 1.00 0.00 O < ATOM 150 ND2 ASN A 10 -5.824 1.920 7.094 1.00 0.00 N < ATOM 151 H ASN A 10 -2.353 2.518 5.657 1.00 0.00 H < ATOM 152 HA ASN A 10 -2.370 0.005 7.056 1.00 0.00 H < ATOM 153 1HB ASN A 10 -4.554 1.108 5.127 1.00 0.00 H < ATOM 154 2HB ASN A 10 -4.338 -0.374 6.090 1.00 0.00 H < ATOM 155 1HD2 ASN A 10 -6.249 2.404 7.860 1.00 0.00 H < ATOM 156 2HD2 ASN A 10 -6.308 1.841 6.222 1.00 0.00 H < ATOM 157 N ILE A 11 -2.132 -0.295 3.779 1.00 0.00 N < ATOM 158 CA ILE A 11 -1.782 -1.301 2.763 1.00 0.00 C < ATOM 159 C ILE A 11 -0.357 -1.804 2.994 1.00 0.00 C < ATOM 160 O ILE A 11 -0.090 -3.007 2.924 1.00 0.00 O < ATOM 161 CB ILE A 11 -1.898 -0.743 1.333 1.00 0.00 C < ATOM 162 CG1 ILE A 11 -3.352 -0.383 1.017 1.00 0.00 C < ATOM 163 CG2 ILE A 11 -1.365 -1.747 0.324 1.00 0.00 C < ATOM 164 CD1 ILE A 11 -4.301 -1.557 1.086 1.00 0.00 C < ATOM 165 H ILE A 11 -2.307 0.656 3.489 1.00 0.00 H < ATOM 166 HA ILE A 11 -2.420 -2.180 2.856 1.00 0.00 H < ATOM 167 HB ILE A 11 -1.324 0.181 1.264 1.00 0.00 H < ATOM 168 1HG1 ILE A 11 -3.661 0.377 1.734 1.00 0.00 H < ATOM 169 2HG1 ILE A 11 -3.371 0.039 0.012 1.00 0.00 H < ATOM 170 1HG2 ILE A 11 -1.455 -1.336 -0.682 1.00 0.00 H < ATOM 171 2HG2 ILE A 11 -0.317 -1.956 0.537 1.00 0.00 H < ATOM 172 3HG2 ILE A 11 -1.940 -2.671 0.391 1.00 0.00 H < ATOM 173 1HD1 ILE A 11 -5.311 -1.223 0.849 1.00 0.00 H < ATOM 174 2HD1 ILE A 11 -3.994 -2.317 0.367 1.00 0.00 H < ATOM 175 3HD1 ILE A 11 -4.286 -1.981 2.089 1.00 0.00 H < ATOM 176 N HIS A 12 0.588 -0.880 3.295 1.00 0.00 N < ATOM 177 CA HIS A 12 1.956 -1.279 3.610 1.00 0.00 C < ATOM 178 C HIS A 12 1.982 -2.268 4.751 1.00 0.00 C < ATOM 179 O HIS A 12 2.672 -3.301 4.670 1.00 0.00 O < ATOM 180 CB HIS A 12 2.819 -0.062 3.961 1.00 0.00 C < ATOM 181 CG HIS A 12 4.026 -0.398 4.778 1.00 0.00 C < ATOM 182 ND1 HIS A 12 4.043 -0.308 6.155 1.00 0.00 N < ATOM 183 CD2 HIS A 12 5.259 -0.822 4.414 1.00 0.00 C < ATOM 184 CE1 HIS A 12 5.235 -0.661 6.602 1.00 0.00 C < ATOM 185 NE2 HIS A 12 5.990 -0.979 5.564 1.00 0.00 N < ATOM 186 H HIS A 12 0.347 0.101 3.303 1.00 0.00 H < ATOM 187 HA HIS A 12 2.401 -1.781 2.750 1.00 0.00 H < ATOM 188 1HB HIS A 12 3.181 0.417 3.051 1.00 0.00 H < ATOM 189 2HB HIS A 12 2.238 0.654 4.540 1.00 0.00 H < ATOM 190 HD1 HIS A 12 3.263 -0.091 6.742 1.00 0.00 H < ATOM 191 HD2 HIS A 12 5.713 -1.037 3.446 1.00 0.00 H < ATOM 192 HE1 HIS A 12 5.451 -0.657 7.669 1.00 0.00 H < ATOM 193 N SER A 13 1.284 -1.969 5.843 1.00 0.00 N < ATOM 194 CA SER A 13 1.195 -2.890 6.985 1.00 0.00 C < ATOM 195 C SER A 13 0.574 -4.232 6.598 1.00 0.00 C < ATOM 196 O SER A 13 1.048 -5.283 7.033 1.00 0.00 O < ATOM 197 CB SER A 13 0.396 -2.251 8.104 1.00 0.00 C < ATOM 198 OG SER A 13 1.056 -1.145 8.658 1.00 0.00 O < ATOM 199 H SER A 13 0.803 -1.083 5.888 1.00 0.00 H < ATOM 200 HA SER A 13 2.154 -3.067 7.474 1.00 0.00 H < ATOM 201 1HB SER A 13 -0.565 -1.929 7.705 1.00 0.00 H < ATOM 202 2HB SER A 13 0.233 -2.994 8.884 1.00 0.00 H < ATOM 203 HG SER A 13 1.890 -1.011 8.202 1.00 0.00 H < ATOM 204 N PHE A 14 -0.480 -4.209 5.783 1.00 0.00 N < ATOM 205 CA PHE A 14 -1.113 -5.454 5.319 1.00 0.00 C < ATOM 206 C PHE A 14 -0.142 -6.325 4.505 1.00 0.00 C < ATOM 207 O PHE A 14 -0.168 -7.552 4.616 1.00 0.00 O < ATOM 208 CB PHE A 14 -2.355 -5.136 4.483 1.00 0.00 C < ATOM 209 CG PHE A 14 -3.466 -4.498 5.267 1.00 0.00 C < ATOM 210 CD1 PHE A 14 -3.482 -4.562 6.652 1.00 0.00 C < ATOM 211 CD2 PHE A 14 -4.498 -3.835 4.621 1.00 0.00 C < ATOM 212 CE1 PHE A 14 -4.504 -3.976 7.375 1.00 0.00 C < ATOM 213 CE2 PHE A 14 -5.520 -3.247 5.340 1.00 0.00 C < ATOM 214 CZ PHE A 14 -5.524 -3.318 6.719 1.00 0.00 C < ATOM 215 H PHE A 14 -0.853 -3.323 5.474 1.00 0.00 H < ATOM 216 HA PHE A 14 -1.413 -6.058 6.176 1.00 0.00 H < ATOM 217 1HB PHE A 14 -2.100 -4.444 3.682 1.00 0.00 H < ATOM 218 2HB PHE A 14 -2.762 -6.052 4.054 1.00 0.00 H < ATOM 219 HD1 PHE A 14 -2.675 -5.082 7.170 1.00 0.00 H < ATOM 220 HD2 PHE A 14 -4.496 -3.779 3.531 1.00 0.00 H < ATOM 221 HE1 PHE A 14 -4.504 -4.034 8.463 1.00 0.00 H < ATOM 222 HE2 PHE A 14 -6.324 -2.727 4.820 1.00 0.00 H < ATOM 223 HZ PHE A 14 -6.330 -2.858 7.286 1.00 0.00 H < ATOM 224 N ILE A 15 0.694 -5.707 3.675 1.00 0.00 N < ATOM 225 CA ILE A 15 1.687 -6.454 2.892 1.00 0.00 C < ATOM 226 C ILE A 15 2.656 -7.212 3.821 1.00 0.00 C < ATOM 227 O ILE A 15 2.959 -8.385 3.584 1.00 0.00 O < ATOM 228 CB ILE A 15 2.481 -5.513 1.969 1.00 0.00 C < ATOM 229 CG1 ILE A 15 1.581 -4.972 0.855 1.00 0.00 C < ATOM 230 CG2 ILE A 15 3.684 -6.235 1.381 1.00 0.00 C < ATOM 231 CD1 ILE A 15 2.187 -3.822 0.084 1.00 0.00 C < ATOM 232 H ILE A 15 0.647 -4.703 3.579 1.00 0.00 H < ATOM 233 HA ILE A 15 1.203 -7.230 2.299 1.00 0.00 H < ATOM 234 HB ILE A 15 2.829 -4.652 2.539 1.00 0.00 H < ATOM 235 1HG1 ILE A 15 1.352 -5.772 0.152 1.00 0.00 H < ATOM 236 2HG1 ILE A 15 0.636 -4.634 1.283 1.00 0.00 H < ATOM 237 1HG2 ILE A 15 4.234 -5.555 0.730 1.00 0.00 H < ATOM 238 2HG2 ILE A 15 4.335 -6.572 2.187 1.00 0.00 H < ATOM 239 3HG2 ILE A 15 3.346 -7.095 0.804 1.00 0.00 H < ATOM 240 1HD1 ILE A 15 1.490 -3.493 -0.687 1.00 0.00 H < ATOM 241 2HD1 ILE A 15 2.392 -2.995 0.765 1.00 0.00 H < ATOM 242 3HD1 ILE A 15 3.116 -4.147 -0.383 1.00 0.00 H < ATOM 243 N HIS A 16 3.149 -6.545 4.901 1.00 0.00 N < ATOM 244 CA HIS A 16 4.041 -7.207 5.848 1.00 0.00 C < ATOM 245 C HIS A 16 3.384 -8.429 6.444 1.00 0.00 C < ATOM 246 O HIS A 16 4.035 -9.463 6.630 1.00 0.00 O < ATOM 247 CB HIS A 16 4.464 -6.244 6.961 1.00 0.00 C < ATOM 248 CG HIS A 16 5.694 -5.453 6.638 1.00 0.00 C < ATOM 249 ND1 HIS A 16 6.918 -6.043 6.410 1.00 0.00 N < ATOM 250 CD2 HIS A 16 5.887 -4.119 6.508 1.00 0.00 C < ATOM 251 CE1 HIS A 16 7.813 -5.107 6.150 1.00 0.00 C < ATOM 252 NE2 HIS A 16 7.214 -3.930 6.203 1.00 0.00 N < ATOM 253 H HIS A 16 2.899 -5.579 5.055 1.00 0.00 H < ATOM 254 HA HIS A 16 4.937 -7.552 5.331 1.00 0.00 H < ATOM 255 1HB HIS A 16 3.670 -5.520 7.154 1.00 0.00 H < ATOM 256 2HB HIS A 16 4.679 -6.798 7.874 1.00 0.00 H < ATOM 257 HD1 HIS A 16 7.101 -7.026 6.359 1.00 0.00 H < ATOM 258 HD2 HIS A 16 5.221 -3.262 6.597 1.00 0.00 H < ATOM 259 HE1 HIS A 16 8.849 -5.372 5.940 1.00 0.00 H < ATOM 260 N GLN A 17 2.112 -8.308 6.792 1.00 0.00 N < ATOM 261 CA GLN A 17 1.365 -9.442 7.324 1.00 0.00 C < ATOM 262 C GLN A 17 1.194 -10.554 6.283 1.00 0.00 C < ATOM 263 O GLN A 17 1.400 -11.740 6.594 1.00 0.00 O < ATOM 264 CB GLN A 17 -0.010 -8.983 7.818 1.00 0.00 C < ATOM 265 CG GLN A 17 0.034 -8.119 9.066 1.00 0.00 C < ATOM 266 CD GLN A 17 -1.331 -7.572 9.439 1.00 0.00 C < ATOM 267 OE1 GLN A 17 -2.310 -7.753 8.709 1.00 0.00 O < ATOM 268 NE2 GLN A 17 -1.405 -6.895 10.579 1.00 0.00 N < ATOM 269 H GLN A 17 1.646 -7.417 6.688 1.00 0.00 H < ATOM 270 HA GLN A 17 1.917 -9.888 8.150 1.00 0.00 H < ATOM 271 1HB GLN A 17 -0.469 -8.428 7.000 1.00 0.00 H < ATOM 272 2HB GLN A 17 -0.590 -9.885 8.015 1.00 0.00 H < ATOM 273 1HG GLN A 17 0.532 -8.433 9.983 1.00 0.00 H < ATOM 274 2HG GLN A 17 0.610 -7.321 8.596 1.00 0.00 H < ATOM 275 1HE2 GLN A 17 -2.279 -6.511 10.877 1.00 0.00 H < ATOM 276 2HE2 GLN A 17 -0.587 -6.770 11.140 1.00 0.00 H < ATOM 277 N ALA A 18 0.825 -10.180 5.055 1.00 0.00 N < ATOM 278 CA ALA A 18 0.668 -11.143 3.956 1.00 0.00 C < ATOM 279 C ALA A 18 1.977 -11.879 3.651 1.00 0.00 C < ATOM 280 O ALA A 18 1.976 -13.084 3.369 1.00 0.00 O < ATOM 281 CB ALA A 18 0.156 -10.438 2.708 1.00 0.00 C < ATOM 282 H ALA A 18 0.647 -9.202 4.881 1.00 0.00 H < ATOM 283 HA ALA A 18 -0.059 -11.899 4.253 1.00 0.00 H < ATOM 284 1HB ALA A 18 0.044 -11.164 1.902 1.00 0.00 H < ATOM 285 2HB ALA A 18 -0.811 -9.981 2.919 1.00 0.00 H < ATOM 286 3HB ALA A 18 0.865 -9.670 2.407 1.00 0.00 H < ATOM 287 N LYS A 19 3.098 -11.163 3.705 1.00 0.00 N < ATOM 288 CA LYS A 19 4.403 -11.785 3.484 1.00 0.00 C < ATOM 289 C LYS A 19 4.712 -12.795 4.600 1.00 0.00 C < ATOM 290 O LYS A 19 5.120 -13.926 4.315 1.00 0.00 O < ATOM 291 CB LYS A 19 5.501 -10.722 3.407 1.00 0.00 C < ATOM 292 CG LYS A 19 5.508 -9.919 2.113 1.00 0.00 C < ATOM 293 CD LYS A 19 6.577 -8.836 2.141 1.00 0.00 C < ATOM 294 CE LYS A 19 7.975 -9.438 2.139 1.00 0.00 C < ATOM 295 NZ LYS A 19 9.031 -8.390 2.093 1.00 0.00 N < ATOM 296 H LYS A 19 3.052 -10.173 3.902 1.00 0.00 H < ATOM 297 HA LYS A 19 4.393 -12.341 2.545 1.00 0.00 H < ATOM 298 1HB LYS A 19 5.353 -10.049 4.252 1.00 0.00 H < ATOM 299 2HB LYS A 19 6.455 -11.239 3.518 1.00 0.00 H < ATOM 300 1HG LYS A 19 5.701 -10.600 1.283 1.00 0.00 H < ATOM 301 2HG LYS A 19 4.529 -9.460 1.984 1.00 0.00 H < ATOM 302 1HD LYS A 19 6.453 -8.203 1.261 1.00 0.00 H < ATOM 303 2HD LYS A 19 6.441 -8.238 3.041 1.00 0.00 H < ATOM 304 1HE LYS A 19 8.093 -10.032 3.044 1.00 0.00 H < ATOM 305 2HE LYS A 19 8.067 -10.085 1.266 1.00 0.00 H < ATOM 306 1HZ LYS A 19 9.941 -8.830 2.092 1.00 0.00 H < ATOM 307 2HZ LYS A 19 8.923 -7.839 1.252 1.00 0.00 H < ATOM 308 3HZ LYS A 19 8.947 -7.791 2.901 1.00 0.00 H < ATOM 309 N ALA A 20 4.499 -12.394 5.854 1.00 0.00 N < ATOM 310 CA ALA A 20 4.720 -13.277 7.008 1.00 0.00 C < ATOM 311 C ALA A 20 3.878 -14.554 6.949 1.00 0.00 C < ATOM 312 O ALA A 20 4.340 -15.624 7.364 1.00 0.00 O < ATOM 313 CB ALA A 20 4.437 -12.526 8.300 1.00 0.00 C < ATOM 314 H ALA A 20 4.174 -11.451 6.011 1.00 0.00 H < ATOM 315 HA ALA A 20 5.763 -13.597 7.009 1.00 0.00 H < ATOM 316 1HB ALA A 20 4.605 -13.189 9.149 1.00 0.00 H < ATOM 317 2HB ALA A 20 5.103 -11.667 8.375 1.00 0.00 H < ATOM 318 3HB ALA A 20 3.403 -12.187 8.304 1.00 0.00 H < ATOM 319 N ALA A 21 2.652 -14.432 6.437 1.00 0.00 N < ATOM 320 CA ALA A 21 1.735 -15.570 6.281 1.00 0.00 C < ATOM 321 C ALA A 21 1.987 -16.378 5.002 1.00 0.00 C < ATOM 322 O ALA A 21 1.327 -17.393 4.774 1.00 0.00 O < ATOM 323 CB ALA A 21 0.294 -15.079 6.311 1.00 0.00 C < ATOM 324 H ALA A 21 2.349 -13.514 6.145 1.00 0.00 H < ATOM 325 HA ALA A 21 1.890 -16.260 7.111 1.00 0.00 H < ATOM 326 1HB ALA A 21 -0.381 -15.928 6.195 1.00 0.00 H < ATOM 327 2HB ALA A 21 0.097 -14.586 7.263 1.00 0.00 H < ATOM 328 3HB ALA A 21 0.133 -14.375 5.497 1.00 0.00 H < ATOM 329 N GLY A 22 2.930 -15.941 4.170 1.00 0.00 N < ATOM 330 CA GLY A 22 3.210 -16.610 2.898 1.00 0.00 C < ATOM 331 C GLY A 22 2.110 -16.474 1.857 1.00 0.00 C < ATOM 332 O GLY A 22 1.978 -17.332 0.986 1.00 0.00 O < ATOM 333 H GLY A 22 3.467 -15.125 4.426 1.00 0.00 H < ATOM 334 1HA GLY A 22 4.118 -16.188 2.465 1.00 0.00 H < ATOM 335 2HA GLY A 22 3.356 -17.674 3.078 1.00 0.00 H < ATOM 336 N ARG A 23 1.333 -15.395 1.940 1.00 0.00 N < ATOM 337 CA ARG A 23 0.187 -15.185 1.043 1.00 0.00 C < ATOM 338 C ARG A 23 0.591 -14.316 -0.154 1.00 0.00 C < ATOM 339 O ARG A 23 0.264 -13.122 -0.200 1.00 0.00 O < ATOM 340 CB ARG A 23 -1.020 -14.610 1.770 1.00 0.00 C < ATOM 341 CG ARG A 23 -1.560 -15.477 2.897 1.00 0.00 C < ATOM 342 CD ARG A 23 -2.598 -14.819 3.732 1.00 0.00 C < ATOM 343 NE ARG A 23 -3.876 -14.630 3.065 1.00 0.00 N < ATOM 344 CZ ARG A 23 -4.870 -13.845 3.526 1.00 0.00 C < ATOM 345 NH1 ARG A 23 -4.755 -13.208 4.669 1.00 0.00 N < ATOM 346 NH2 ARG A 23 -5.976 -13.753 2.807 1.00 0.00 N < ATOM 347 H ARG A 23 1.543 -14.701 2.641 1.00 0.00 H < ATOM 348 HA ARG A 23 -0.149 -16.142 0.642 1.00 0.00 H < ATOM 349 1HB ARG A 23 -0.718 -13.644 2.172 1.00 0.00 H < ATOM 350 2HB ARG A 23 -1.800 -14.464 1.024 1.00 0.00 H < ATOM 351 1HG ARG A 23 -1.997 -16.377 2.464 1.00 0.00 H < ATOM 352 2HG ARG A 23 -0.730 -15.755 3.548 1.00 0.00 H < ATOM 353 1HD ARG A 23 -2.779 -15.429 4.617 1.00 0.00 H < ATOM 354 2HD ARG A 23 -2.237 -13.837 4.034 1.00 0.00 H < ATOM 355 HE ARG A 23 -4.216 -15.026 2.199 1.00 0.00 H < ATOM 356 1HH1 ARG A 23 -3.911 -13.304 5.214 1.00 0.00 H < ATOM 357 2HH1 ARG A 23 -5.512 -12.625 4.996 1.00 0.00 H < ATOM 358 1HH2 ARG A 23 -6.055 -14.265 1.938 1.00 0.00 H < ATOM 359 2HH2 ARG A 23 -6.737 -13.173 3.128 1.00 0.00 H < ATOM 360 N MET A 24 1.281 -14.922 -1.119 1.00 0.00 N < ATOM 361 CA MET A 24 1.824 -14.197 -2.276 1.00 0.00 C < ATOM 362 C MET A 24 0.762 -13.529 -3.161 1.00 0.00 C < ATOM 363 O MET A 24 1.016 -12.460 -3.724 1.00 0.00 O < ATOM 364 CB MET A 24 2.664 -15.154 -3.120 1.00 0.00 C < ATOM 365 CG MET A 24 3.972 -15.584 -2.472 1.00 0.00 C < ATOM 366 SD MET A 24 5.078 -14.196 -2.148 1.00 0.00 S < ATOM 367 CE MET A 24 5.507 -13.709 -3.817 1.00 0.00 C < ATOM 368 H MET A 24 1.433 -15.918 -1.048 1.00 0.00 H < ATOM 369 HA MET A 24 2.454 -13.375 -1.937 1.00 0.00 H < ATOM 370 1HB MET A 24 2.048 -16.031 -3.313 1.00 0.00 H < ATOM 371 2HB MET A 24 2.877 -14.644 -4.061 1.00 0.00 H < ATOM 372 1HG MET A 24 3.738 -16.082 -1.532 1.00 0.00 H < ATOM 373 2HG MET A 24 4.467 -16.287 -3.143 1.00 0.00 H < ATOM 374 1HE MET A 24 6.188 -12.858 -3.784 1.00 0.00 H < ATOM 375 2HE MET A 24 5.992 -14.544 -4.327 1.00 0.00 H < ATOM 376 3HE MET A 24 4.603 -13.429 -4.359 1.00 0.00 H < ATOM 377 N ASP A 25 -0.410 -14.149 -3.298 1.00 0.00 N < ATOM 378 CA ASP A 25 -1.482 -13.541 -4.085 1.00 0.00 C < ATOM 379 C ASP A 25 -1.918 -12.216 -3.462 1.00 0.00 C < ATOM 380 O ASP A 25 -2.168 -11.237 -4.176 1.00 0.00 O < ATOM 381 CB ASP A 25 -2.677 -14.492 -4.199 1.00 0.00 C < ATOM 382 CG ASP A 25 -2.444 -15.689 -5.111 1.00 0.00 C < ATOM 383 OD1 ASP A 25 -1.479 -15.679 -5.838 1.00 0.00 O < ATOM 384 OD2 ASP A 25 -3.136 -16.667 -4.962 1.00 0.00 O < ATOM 385 H ASP A 25 -0.570 -15.045 -2.859 1.00 0.00 H < ATOM 386 HA ASP A 25 -1.121 -13.318 -5.090 1.00 0.00 H < ATOM 387 1HB ASP A 25 -3.050 -14.838 -3.236 1.00 0.00 H < ATOM 388 2HB ASP A 25 -3.409 -13.826 -4.656 1.00 0.00 H < ATOM 389 N GLU A 26 -1.987 -12.194 -2.131 1.00 0.00 N < ATOM 390 CA GLU A 26 -2.354 -10.991 -1.368 1.00 0.00 C < ATOM 391 C GLU A 26 -1.237 -9.952 -1.399 1.00 0.00 C < ATOM 392 O GLU A 26 -1.492 -8.750 -1.491 1.00 0.00 O < ATOM 393 CB GLU A 26 -2.688 -11.353 0.081 1.00 0.00 C < ATOM 394 CG GLU A 26 -3.988 -12.125 0.253 1.00 0.00 C < ATOM 395 CD GLU A 26 -5.167 -11.324 -0.228 1.00 0.00 C < ATOM 396 OE1 GLU A 26 -5.322 -10.210 0.212 1.00 0.00 O < ATOM 397 OE2 GLU A 26 -5.846 -11.779 -1.118 1.00 0.00 O < ATOM 398 H GLU A 26 -1.775 -13.048 -1.634 1.00 0.00 H < ATOM 399 HA GLU A 26 -3.228 -10.520 -1.818 1.00 0.00 H < ATOM 400 1HB GLU A 26 -1.859 -11.952 0.459 1.00 0.00 H < ATOM 401 2HB GLU A 26 -2.744 -10.418 0.638 1.00 0.00 H < ATOM 402 1HG GLU A 26 -3.984 -13.097 -0.242 1.00 0.00 H < ATOM 403 2HG GLU A 26 -4.061 -12.267 1.330 1.00 0.00 H < ATOM 404 N VAL A 27 0.008 -10.410 -1.308 1.00 0.00 N < ATOM 405 CA VAL A 27 1.146 -9.496 -1.409 1.00 0.00 C < ATOM 406 C VAL A 27 1.171 -8.789 -2.771 1.00 0.00 C < ATOM 407 O VAL A 27 1.381 -7.579 -2.820 1.00 0.00 O < ATOM 408 CB VAL A 27 2.481 -10.234 -1.198 1.00 0.00 C < ATOM 409 CG1 VAL A 27 3.648 -9.355 -1.620 1.00 0.00 C < ATOM 410 CG2 VAL A 27 2.632 -10.657 0.255 1.00 0.00 C < ATOM 411 H VAL A 27 0.179 -11.396 -1.169 1.00 0.00 H < ATOM 412 HA VAL A 27 1.073 -8.691 -0.679 1.00 0.00 H < ATOM 413 HB VAL A 27 2.481 -11.147 -1.795 1.00 0.00 H < ATOM 414 1HG1 VAL A 27 4.585 -9.893 -1.464 1.00 0.00 H < ATOM 415 2HG1 VAL A 27 3.549 -9.100 -2.675 1.00 0.00 H < ATOM 416 3HG1 VAL A 27 3.651 -8.443 -1.024 1.00 0.00 H < ATOM 417 1HG2 VAL A 27 3.580 -11.178 0.387 1.00 0.00 H < ATOM 418 2HG2 VAL A 27 2.610 -9.774 0.895 1.00 0.00 H < ATOM 419 3HG2 VAL A 27 1.813 -11.323 0.528 1.00 0.00 H < ATOM 420 N ARG A 28 0.958 -9.520 -3.869 1.00 0.00 N < ATOM 421 CA ARG A 28 0.945 -8.889 -5.204 1.00 0.00 C < ATOM 422 C ARG A 28 -0.208 -7.905 -5.412 1.00 0.00 C < ATOM 423 O ARG A 28 0.009 -6.811 -5.936 1.00 0.00 O < ATOM 424 CB ARG A 28 0.965 -9.929 -6.314 1.00 0.00 C < ATOM 425 CG ARG A 28 2.281 -10.676 -6.466 1.00 0.00 C < ATOM 426 CD ARG A 28 2.257 -11.758 -7.483 1.00 0.00 C < ATOM 427 NE ARG A 28 3.517 -12.465 -7.641 1.00 0.00 N < ATOM 428 CZ ARG A 28 3.697 -13.542 -8.430 1.00 0.00 C < ATOM 429 NH1 ARG A 28 2.695 -14.062 -9.105 1.00 0.00 N < ATOM 430 NH2 ARG A 28 4.904 -14.078 -8.491 1.00 0.00 N < ATOM 431 H ARG A 28 0.804 -10.515 -3.794 1.00 0.00 H < ATOM 432 HA ARG A 28 1.849 -8.295 -5.341 1.00 0.00 H < ATOM 433 1HB ARG A 28 0.171 -10.641 -6.098 1.00 0.00 H < ATOM 434 2HB ARG A 28 0.741 -9.406 -7.244 1.00 0.00 H < ATOM 435 1HG ARG A 28 3.055 -9.963 -6.754 1.00 0.00 H < ATOM 436 2HG ARG A 28 2.539 -11.123 -5.506 1.00 0.00 H < ATOM 437 1HD ARG A 28 1.503 -12.492 -7.201 1.00 0.00 H < ATOM 438 2HD ARG A 28 2.000 -11.329 -8.451 1.00 0.00 H < ATOM 439 HE ARG A 28 4.416 -12.284 -7.215 1.00 0.00 H < ATOM 440 1HH1 ARG A 28 1.775 -13.652 -9.034 1.00 0.00 H < ATOM 441 2HH1 ARG A 28 2.850 -14.870 -9.691 1.00 0.00 H < ATOM 442 1HH2 ARG A 28 5.659 -13.677 -7.953 1.00 0.00 H < ATOM 443 2HH2 ARG A 28 5.065 -14.886 -9.075 1.00 0.00 H < ATOM 444 N THR A 29 -1.424 -8.269 -5.008 1.00 0.00 N < ATOM 445 CA THR A 29 -2.541 -7.332 -5.144 1.00 0.00 C < ATOM 446 C THR A 29 -2.318 -6.087 -4.279 1.00 0.00 C < ATOM 447 O THR A 29 -2.510 -4.969 -4.766 1.00 0.00 O < ATOM 448 CB THR A 29 -3.879 -7.986 -4.754 1.00 0.00 C < ATOM 449 OG1 THR A 29 -4.153 -9.082 -5.636 1.00 0.00 O < ATOM 450 CG2 THR A 29 -5.012 -6.974 -4.840 1.00 0.00 C < ATOM 451 H THR A 29 -1.593 -9.181 -4.608 1.00 0.00 H < ATOM 452 HA THR A 29 -2.609 -6.986 -6.176 1.00 0.00 H < ATOM 453 HB THR A 29 -3.806 -8.362 -3.734 1.00 0.00 H < ATOM 454 HG1 THR A 29 -3.438 -9.168 -6.271 1.00 0.00 H < ATOM 455 1HG2 THR A 29 -5.949 -7.456 -4.561 1.00 0.00 H < ATOM 456 2HG2 THR A 29 -4.811 -6.146 -4.162 1.00 0.00 H < ATOM 457 3HG2 THR A 29 -5.086 -6.599 -5.860 1.00 0.00 H < ATOM 458 N LEU A 30 -1.908 -6.275 -3.019 1.00 0.00 N < ATOM 459 CA LEU A 30 -1.650 -5.134 -2.120 1.00 0.00 C < ATOM 460 C LEU A 30 -0.475 -4.264 -2.598 1.00 0.00 C < ATOM 461 O LEU A 30 -0.516 -3.039 -2.458 1.00 0.00 O < ATOM 462 CB LEU A 30 -1.384 -5.641 -0.697 1.00 0.00 C < ATOM 463 CG LEU A 30 -2.586 -6.290 0.001 1.00 0.00 C < ATOM 464 CD1 LEU A 30 -2.143 -6.943 1.303 1.00 0.00 C < ATOM 465 CD2 LEU A 30 -3.653 -5.238 0.261 1.00 0.00 C < ATOM 466 H LEU A 30 -1.771 -7.215 -2.675 1.00 0.00 H < ATOM 467 HA LEU A 30 -2.519 -4.476 -2.108 1.00 0.00 H < ATOM 468 1HB LEU A 30 -0.628 -6.392 -0.916 1.00 0.00 H < ATOM 469 2HB LEU A 30 -0.952 -4.864 -0.066 1.00 0.00 H < ATOM 470 HG LEU A 30 -3.002 -7.025 -0.689 1.00 0.00 H < ATOM 471 1HD1 LEU A 30 -3.003 -7.401 1.790 1.00 0.00 H < ATOM 472 2HD1 LEU A 30 -1.397 -7.709 1.090 1.00 0.00 H < ATOM 473 3HD1 LEU A 30 -1.714 -6.188 1.960 1.00 0.00 H < ATOM 474 1HD2 LEU A 30 -4.507 -5.701 0.756 1.00 0.00 H < ATOM 475 2HD2 LEU A 30 -3.244 -4.454 0.898 1.00 0.00 H < ATOM 476 3HD2 LEU A 30 -3.975 -4.804 -0.687 1.00 0.00 H < ATOM 477 N GLN A 31 0.577 -4.882 -3.131 1.00 0.00 N < ATOM 478 CA GLN A 31 1.717 -4.102 -3.626 1.00 0.00 C < ATOM 479 C GLN A 31 1.311 -3.169 -4.770 1.00 0.00 C < ATOM 480 O GLN A 31 1.750 -2.018 -4.813 1.00 0.00 O < ATOM 481 CB GLN A 31 2.840 -5.033 -4.089 1.00 0.00 C < ATOM 482 CG GLN A 31 4.119 -4.316 -4.487 1.00 0.00 C < ATOM 483 CD GLN A 31 4.783 -3.623 -3.312 1.00 0.00 C < ATOM 484 OE1 GLN A 31 5.042 -4.240 -2.275 1.00 0.00 O < ATOM 485 NE2 GLN A 31 5.062 -2.334 -3.467 1.00 0.00 N < ATOM 486 H GLN A 31 0.604 -5.890 -3.200 1.00 0.00 H < ATOM 487 HA GLN A 31 2.093 -3.460 -2.829 1.00 0.00 H < ATOM 488 1HB GLN A 31 3.082 -5.736 -3.292 1.00 0.00 H < ATOM 489 2HB GLN A 31 2.500 -5.614 -4.946 1.00 0.00 H < ATOM 490 1HG GLN A 31 4.820 -5.044 -4.895 1.00 0.00 H < ATOM 491 2HG GLN A 31 3.882 -3.563 -5.239 1.00 0.00 H < ATOM 492 1HE2 GLN A 31 5.501 -1.824 -2.726 1.00 0.00 H < ATOM 493 2HE2 GLN A 31 4.835 -1.872 -4.325 1.00 0.00 H < ATOM 494 N GLU A 32 0.461 -3.647 -5.677 1.00 0.00 N < ATOM 495 CA GLU A 32 -0.108 -2.796 -6.722 1.00 0.00 C < ATOM 496 C GLU A 32 -0.995 -1.687 -6.131 1.00 0.00 C < ATOM 497 O GLU A 32 -0.914 -0.537 -6.566 1.00 0.00 O < ATOM 498 CB GLU A 32 -0.911 -3.640 -7.713 1.00 0.00 C < ATOM 499 CG GLU A 32 -0.068 -4.561 -8.584 1.00 0.00 C < ATOM 500 CD GLU A 32 -0.930 -5.423 -9.463 1.00 0.00 C < ATOM 501 OE1 GLU A 32 -2.130 -5.349 -9.343 1.00 0.00 O < ATOM 502 OE2 GLU A 32 -0.397 -6.070 -10.333 1.00 0.00 O < ATOM 503 H GLU A 32 0.202 -4.623 -5.643 1.00 0.00 H < ATOM 504 HA GLU A 32 0.693 -2.289 -7.262 1.00 0.00 H < ATOM 505 1HB GLU A 32 -1.612 -4.236 -7.129 1.00 0.00 H < ATOM 506 2HB GLU A 32 -1.464 -2.948 -8.348 1.00 0.00 H < ATOM 507 1HG GLU A 32 0.660 -4.031 -9.198 1.00 0.00 H < ATOM 508 2HG GLU A 32 0.455 -5.187 -7.863 1.00 0.00 H < ATOM 509 N ASN A 33 -1.809 -2.012 -5.127 1.00 0.00 N < ATOM 510 CA ASN A 33 -2.656 -1.009 -4.473 1.00 0.00 C < ATOM 511 C ASN A 33 -1.823 0.085 -3.810 1.00 0.00 C < ATOM 512 O ASN A 33 -2.169 1.267 -3.873 1.00 0.00 O < ATOM 513 CB ASN A 33 -3.582 -1.646 -3.453 1.00 0.00 C < ATOM 514 CG ASN A 33 -4.698 -2.447 -4.067 1.00 0.00 C < ATOM 515 OD1 ASN A 33 -5.035 -2.278 -5.244 1.00 0.00 O < ATOM 516 ND2 ASN A 33 -5.325 -3.257 -3.253 1.00 0.00 N < ATOM 517 H ASN A 33 -1.846 -2.970 -4.810 1.00 0.00 H < ATOM 518 HA ASN A 33 -3.279 -0.510 -5.217 1.00 0.00 H < ATOM 519 1HB ASN A 33 -3.180 -2.189 -2.597 1.00 0.00 H < ATOM 520 2HB ASN A 33 -3.979 -0.687 -3.122 1.00 0.00 H < ATOM 521 1HD2 ASN A 33 -6.078 -3.821 -3.593 1.00 0.00 H < ATOM 522 2HD2 ASN A 33 -5.051 -3.311 -2.294 1.00 0.00 H < ATOM 523 N LEU A 34 -0.738 -0.331 -3.156 1.00 0.00 N < ATOM 524 CA LEU A 34 0.159 0.589 -2.441 1.00 0.00 C < ATOM 525 C LEU A 34 0.782 1.612 -3.389 1.00 0.00 C < ATOM 526 O LEU A 34 0.766 2.809 -3.102 1.00 0.00 O < ATOM 527 CB LEU A 34 1.270 -0.196 -1.733 1.00 0.00 C < ATOM 528 CG LEU A 34 2.292 0.647 -0.960 1.00 0.00 C < ATOM 529 CD1 LEU A 34 1.587 1.401 0.160 1.00 0.00 C < ATOM 530 CD2 LEU A 34 3.384 -0.257 -0.408 1.00 0.00 C < ATOM 531 H LEU A 34 -0.530 -1.320 -3.157 1.00 0.00 H < ATOM 532 HA LEU A 34 -0.410 1.157 -1.708 1.00 0.00 H < ATOM 533 1HB LEU A 34 0.812 -0.888 -1.028 1.00 0.00 H < ATOM 534 2HB LEU A 34 1.815 -0.777 -2.477 1.00 0.00 H < ATOM 535 HG LEU A 34 2.736 1.385 -1.630 1.00 0.00 H < ATOM 536 1HD1 LEU A 34 2.313 2.000 0.709 1.00 0.00 H < ATOM 537 2HD1 LEU A 34 0.825 2.054 -0.265 1.00 0.00 H < ATOM 538 3HD1 LEU A 34 1.118 0.688 0.838 1.00 0.00 H < ATOM 539 1HD2 LEU A 34 4.111 0.343 0.141 1.00 0.00 H < ATOM 540 2HD2 LEU A 34 2.941 -0.994 0.263 1.00 0.00 H < ATOM 541 3HD2 LEU A 34 3.883 -0.769 -1.230 1.00 0.00 H < ATOM 542 N HIS A 35 1.343 1.140 -4.540 1.00 0.00 N < ATOM 543 CA HIS A 35 1.978 2.034 -5.504 1.00 0.00 C < ATOM 544 C HIS A 35 0.976 3.002 -6.085 1.00 0.00 C < ATOM 545 O HIS A 35 1.264 4.198 -6.220 1.00 0.00 O < ATOM 546 CB HIS A 35 2.648 1.238 -6.629 1.00 0.00 C < ATOM 547 CG HIS A 35 3.882 1.888 -7.173 1.00 0.00 C < ATOM 548 ND1 HIS A 35 4.897 1.174 -7.774 1.00 0.00 N < ATOM 549 CD2 HIS A 35 4.266 3.187 -7.207 1.00 0.00 C < ATOM 550 CE1 HIS A 35 5.850 2.005 -8.155 1.00 0.00 C < ATOM 551 NE2 HIS A 35 5.492 3.231 -7.823 1.00 0.00 N < ATOM 552 H HIS A 35 1.317 0.148 -4.732 1.00 0.00 H < ATOM 553 HA HIS A 35 2.742 2.632 -5.005 1.00 0.00 H < ATOM 554 1HB HIS A 35 2.949 0.255 -6.268 1.00 0.00 H < ATOM 555 2HB HIS A 35 1.961 1.122 -7.466 1.00 0.00 H < ATOM 556 HD1 HIS A 35 4.891 0.195 -7.974 1.00 0.00 H < ATOM 557 HD2 HIS A 35 3.796 4.107 -6.858 1.00 0.00 H < ATOM 558 HE1 HIS A 35 6.745 1.632 -8.654 1.00 0.00 H < ATOM 559 N GLN A 36 -0.185 2.494 -6.477 1.00 0.00 N < ATOM 560 CA GLN A 36 -1.246 3.329 -7.036 1.00 0.00 C < ATOM 561 C GLN A 36 -1.703 4.426 -6.064 1.00 0.00 C < ATOM 562 O GLN A 36 -1.888 5.578 -6.480 1.00 0.00 O < ATOM 563 CB GLN A 36 -2.442 2.459 -7.435 1.00 0.00 C < ATOM 564 CG GLN A 36 -2.187 1.564 -8.636 1.00 0.00 C < ATOM 565 CD GLN A 36 -3.359 0.647 -8.933 1.00 0.00 C < ATOM 566 OE1 GLN A 36 -4.516 0.996 -8.685 1.00 0.00 O < ATOM 567 NE2 GLN A 36 -3.065 -0.533 -9.465 1.00 0.00 N < ATOM 568 H GLN A 36 -0.338 1.499 -6.386 1.00 0.00 H < ATOM 569 HA GLN A 36 -0.873 3.852 -7.917 1.00 0.00 H < ATOM 570 1HB GLN A 36 -2.726 1.825 -6.596 1.00 0.00 H < ATOM 571 2HB GLN A 36 -3.295 3.098 -7.666 1.00 0.00 H < ATOM 572 1HG GLN A 36 -2.012 2.189 -9.511 1.00 0.00 H < ATOM 573 2HG GLN A 36 -1.312 0.946 -8.436 1.00 0.00 H < ATOM 574 1HE2 GLN A 36 -3.796 -1.181 -9.683 1.00 0.00 H < ATOM 575 2HE2 GLN A 36 -2.112 -0.776 -9.650 1.00 0.00 H < ATOM 576 N LEU A 37 -1.862 4.092 -4.777 1.00 0.00 N < ATOM 577 CA LEU A 37 -2.211 5.097 -3.766 1.00 0.00 C < ATOM 578 C LEU A 37 -1.091 6.113 -3.559 1.00 0.00 C < ATOM 579 O LEU A 37 -1.360 7.304 -3.390 1.00 0.00 O < ATOM 580 CB LEU A 37 -2.550 4.411 -2.436 1.00 0.00 C < ATOM 581 CG LEU A 37 -3.859 3.610 -2.430 1.00 0.00 C < ATOM 582 CD1 LEU A 37 -3.982 2.822 -1.133 1.00 0.00 C < ATOM 583 CD2 LEU A 37 -5.037 4.559 -2.598 1.00 0.00 C < ATOM 584 H LEU A 37 -1.738 3.131 -4.494 1.00 0.00 H < ATOM 585 HA LEU A 37 -3.076 5.667 -4.101 1.00 0.00 H < ATOM 586 1HB LEU A 37 -1.699 3.736 -2.363 1.00 0.00 H < ATOM 587 2HB LEU A 37 -2.530 5.113 -1.603 1.00 0.00 H < ATOM 588 HG LEU A 37 -3.838 2.949 -3.297 1.00 0.00 H < ATOM 589 1HD1 LEU A 37 -4.913 2.255 -1.139 1.00 0.00 H < ATOM 590 2HD1 LEU A 37 -3.140 2.133 -1.045 1.00 0.00 H < ATOM 591 3HD1 LEU A 37 -3.978 3.509 -0.288 1.00 0.00 H < ATOM 592 1HD2 LEU A 37 -5.966 3.989 -2.594 1.00 0.00 H < ATOM 593 2HD2 LEU A 37 -5.047 5.275 -1.776 1.00 0.00 H < ATOM 594 3HD2 LEU A 37 -4.944 5.093 -3.544 1.00 0.00 H < ATOM 595 N GLN A 38 0.159 5.653 -3.568 1.00 0.00 N < ATOM 596 CA GLN A 38 1.285 6.548 -3.319 1.00 0.00 C < ATOM 597 C GLN A 38 1.371 7.637 -4.387 1.00 0.00 C < ATOM 598 O GLN A 38 1.612 8.799 -4.055 1.00 0.00 O < ATOM 599 CB GLN A 38 2.596 5.759 -3.270 1.00 0.00 C < ATOM 600 CG GLN A 38 3.799 6.577 -2.831 1.00 0.00 C < ATOM 601 CD GLN A 38 3.690 7.041 -1.391 1.00 0.00 C < ATOM 602 OE1 GLN A 38 3.485 6.235 -0.479 1.00 0.00 O < ATOM 603 NE2 GLN A 38 3.825 8.345 -1.178 1.00 0.00 N < ATOM 604 H GLN A 38 0.338 4.675 -3.747 1.00 0.00 H < ATOM 605 HA GLN A 38 1.142 7.058 -2.368 1.00 0.00 H < ATOM 606 1HB GLN A 38 2.490 4.921 -2.582 1.00 0.00 H < ATOM 607 2HB GLN A 38 2.811 5.348 -4.256 1.00 0.00 H < ATOM 608 1HG GLN A 38 4.696 5.965 -2.926 1.00 0.00 H < ATOM 609 2HG GLN A 38 3.879 7.457 -3.469 1.00 0.00 H < ATOM 610 1HE2 GLN A 38 3.762 8.710 -0.249 1.00 0.00 H < ATOM 611 2HE2 GLN A 38 3.990 8.963 -1.947 1.00 0.00 H < ATOM 612 N HIS A 39 1.156 7.285 -5.681 1.00 0.00 N < ATOM 613 CA HIS A 39 1.179 8.312 -6.719 1.00 0.00 C < ATOM 614 C HIS A 39 0.035 9.282 -6.544 1.00 0.00 C < ATOM 615 O HIS A 39 0.217 10.491 -6.717 1.00 0.00 O < ATOM 616 CB HIS A 39 1.120 7.678 -8.114 1.00 0.00 C < ATOM 617 CG HIS A 39 2.427 7.114 -8.573 1.00 0.00 C < ATOM 618 ND1 HIS A 39 2.785 7.057 -9.904 1.00 0.00 N < ATOM 619 CD2 HIS A 39 3.461 6.580 -7.880 1.00 0.00 C < ATOM 620 CE1 HIS A 39 3.986 6.512 -10.010 1.00 0.00 C < ATOM 621 NE2 HIS A 39 4.416 6.215 -8.798 1.00 0.00 N < ATOM 622 H HIS A 39 0.981 6.325 -5.943 1.00 0.00 H < ATOM 623 HA HIS A 39 2.099 8.892 -6.644 1.00 0.00 H < ATOM 624 1HB HIS A 39 0.403 6.855 -8.122 1.00 0.00 H < ATOM 625 2HB HIS A 39 0.825 8.424 -8.851 1.00 0.00 H < ATOM 626 HD1 HIS A 39 2.272 7.439 -10.672 1.00 0.00 H < ATOM 627 HD2 HIS A 39 3.633 6.414 -6.817 1.00 0.00 H < ATOM 628 HE1 HIS A 39 4.450 6.380 -10.987 1.00 0.00 H < ATOM 629 N GLU A 40 -1.158 8.772 -6.251 1.00 0.00 N < ATOM 630 CA GLU A 40 -2.301 9.649 -5.998 1.00 0.00 C < ATOM 631 C GLU A 40 -2.013 10.635 -4.860 1.00 0.00 C < ATOM 632 O GLU A 40 -2.284 11.839 -4.989 1.00 0.00 O < ATOM 633 CB GLU A 40 -3.545 8.819 -5.673 1.00 0.00 C < ATOM 634 CG GLU A 40 -4.803 9.640 -5.430 1.00 0.00 C < ATOM 635 CD GLU A 40 -5.988 8.757 -5.157 1.00 0.00 C < ATOM 636 OE1 GLU A 40 -5.830 7.560 -5.178 1.00 0.00 O < ATOM 637 OE2 GLU A 40 -7.026 9.277 -4.818 1.00 0.00 O < ATOM 638 H GLU A 40 -1.285 7.771 -6.200 1.00 0.00 H < ATOM 639 HA GLU A 40 -2.506 10.253 -6.882 1.00 0.00 H < ATOM 640 1HB GLU A 40 -3.709 8.146 -6.515 1.00 0.00 H < ATOM 641 2HB GLU A 40 -3.315 8.235 -4.781 1.00 0.00 H < ATOM 642 1HG GLU A 40 -4.698 10.366 -4.624 1.00 0.00 H < ATOM 643 2HG GLU A 40 -4.951 10.165 -6.373 1.00 0.00 H < ATOM 644 N TYR A 41 -1.475 10.130 -3.750 1.00 0.00 N < ATOM 645 CA TYR A 41 -1.088 10.987 -2.620 1.00 0.00 C < ATOM 646 C TYR A 41 -0.049 12.029 -3.050 1.00 0.00 C < ATOM 647 O TYR A 41 -0.225 13.229 -2.798 1.00 0.00 O < ATOM 648 CB TYR A 41 -0.538 10.143 -1.467 1.00 0.00 C < ATOM 649 CG TYR A 41 -0.000 10.958 -0.312 1.00 0.00 C < ATOM 650 CD1 TYR A 41 -0.854 11.496 0.639 1.00 0.00 C < ATOM 651 CD2 TYR A 41 1.361 11.186 -0.177 1.00 0.00 C < ATOM 652 CE1 TYR A 41 -0.368 12.241 1.696 1.00 0.00 C < ATOM 653 CE2 TYR A 41 1.859 11.928 0.876 1.00 0.00 C < ATOM 654 CZ TYR A 41 0.991 12.456 1.811 1.00 0.00 C < ATOM 655 OH TYR A 41 1.481 13.195 2.862 1.00 0.00 O < ATOM 656 H TYR A 41 -1.330 9.133 -3.683 1.00 0.00 H < ATOM 657 HA TYR A 41 -1.956 11.540 -2.260 1.00 0.00 H < ATOM 658 1HB TYR A 41 -1.352 9.507 -1.116 1.00 0.00 H < ATOM 659 2HB TYR A 41 0.258 9.520 -1.876 1.00 0.00 H < ATOM 660 HD1 TYR A 41 -1.926 11.323 0.541 1.00 0.00 H < ATOM 661 HD2 TYR A 41 2.042 10.769 -0.919 1.00 0.00 H < ATOM 662 HE1 TYR A 41 -1.050 12.658 2.435 1.00 0.00 H < ATOM 663 HE2 TYR A 41 2.932 12.096 0.965 1.00 0.00 H < ATOM 664 HH TYR A 41 2.438 13.279 2.847 1.00 0.00 H < ATOM 665 N ASP A 42 1.022 11.575 -3.702 1.00 0.00 N < ATOM 666 CA ASP A 42 2.100 12.469 -4.141 1.00 0.00 C < ATOM 667 C ASP A 42 1.573 13.600 -5.030 1.00 0.00 C < ATOM 668 O ASP A 42 1.945 14.763 -4.842 1.00 0.00 O < ATOM 669 CB ASP A 42 3.173 11.680 -4.896 1.00 0.00 C < ATOM 670 CG ASP A 42 3.968 10.746 -3.993 1.00 0.00 C < ATOM 671 OD1 ASP A 42 3.860 10.874 -2.797 1.00 0.00 O < ATOM 672 OD2 ASP A 42 4.676 9.915 -4.509 1.00 0.00 O < ATOM 673 H ASP A 42 1.092 10.586 -3.898 1.00 0.00 H < ATOM 674 HA ASP A 42 2.556 12.950 -3.275 1.00 0.00 H < ATOM 675 1HB ASP A 42 2.703 11.088 -5.682 1.00 0.00 H < ATOM 676 2HB ASP A 42 3.864 12.373 -5.377 1.00 0.00 H < ATOM 677 N GLN A 43 0.711 13.263 -5.989 1.00 0.00 N < ATOM 678 CA GLN A 43 0.140 14.270 -6.891 1.00 0.00 C < ATOM 679 C GLN A 43 -0.706 15.302 -6.133 1.00 0.00 C < ATOM 680 O GLN A 43 -0.673 16.494 -6.462 1.00 0.00 O < ATOM 681 CB GLN A 43 -0.716 13.594 -7.965 1.00 0.00 C < ATOM 682 CG GLN A 43 0.083 12.844 -9.017 1.00 0.00 C < ATOM 683 CD GLN A 43 -0.805 12.073 -9.976 1.00 0.00 C < ATOM 684 OE1 GLN A 43 -2.026 12.016 -9.806 1.00 0.00 O < ATOM 685 NE2 GLN A 43 -0.194 11.469 -10.989 1.00 0.00 N < ATOM 686 H GLN A 43 0.444 12.296 -6.099 1.00 0.00 H < ATOM 687 HA GLN A 43 0.943 14.830 -7.369 1.00 0.00 H < ATOM 688 1HB GLN A 43 -1.383 12.904 -7.448 1.00 0.00 H < ATOM 689 2HB GLN A 43 -1.304 14.379 -8.440 1.00 0.00 H < ATOM 690 1HG GLN A 43 0.877 13.311 -9.599 1.00 0.00 H < ATOM 691 2HG GLN A 43 0.519 12.138 -8.309 1.00 0.00 H < ATOM 692 1HE2 GLN A 43 -0.727 10.944 -11.656 1.00 0.00 H < ATOM 693 2HE2 GLN A 43 0.799 11.537 -11.089 1.00 0.00 H < ATOM 694 N GLN A 44 -1.441 14.855 -5.116 1.00 0.00 N < ATOM 695 CA GLN A 44 -2.225 15.761 -4.274 1.00 0.00 C < ATOM 696 C GLN A 44 -1.325 16.703 -3.459 1.00 0.00 C < ATOM 697 O GLN A 44 -1.692 17.850 -3.208 1.00 0.00 O < ATOM 698 CB GLN A 44 -3.123 14.960 -3.327 1.00 0.00 C < ATOM 699 CG GLN A 44 -4.099 15.808 -2.528 1.00 0.00 C < ATOM 700 CD GLN A 44 -5.101 16.525 -3.412 1.00 0.00 C < ATOM 701 OE1 GLN A 44 -5.683 15.931 -4.324 1.00 0.00 O < ATOM 702 NE2 GLN A 44 -5.306 17.811 -3.150 1.00 0.00 N < ATOM 703 H GLN A 44 -1.456 13.864 -4.921 1.00 0.00 H < ATOM 704 HA GLN A 44 -2.842 16.401 -4.904 1.00 0.00 H < ATOM 705 1HB GLN A 44 -3.672 14.247 -3.944 1.00 0.00 H < ATOM 706 2HB GLN A 44 -2.463 14.420 -2.649 1.00 0.00 H < ATOM 707 1HG GLN A 44 -4.631 15.431 -1.656 1.00 0.00 H < ATOM 708 2HG GLN A 44 -3.344 16.528 -2.207 1.00 0.00 H < ATOM 709 1HE2 GLN A 44 -5.956 18.337 -3.701 1.00 0.00 H < ATOM 710 2HE2 GLN A 44 -4.812 18.255 -2.403 1.00 0.00 H < ATOM 711 N GLN A 45 -0.155 16.211 -3.056 1.00 0.00 N < ATOM 712 CA GLN A 45 0.788 16.983 -2.238 1.00 0.00 C < ATOM 713 C GLN A 45 1.628 17.936 -3.092 1.00 0.00 C < ATOM 714 O GLN A 45 2.065 18.981 -2.612 1.00 0.00 O < ATOM 715 CB GLN A 45 1.713 16.044 -1.459 1.00 0.00 C < ATOM 716 CG GLN A 45 1.004 15.202 -0.411 1.00 0.00 C < ATOM 717 CD GLN A 45 0.287 16.049 0.623 1.00 0.00 C < ATOM 718 OE1 GLN A 45 0.872 16.962 1.212 1.00 0.00 O < ATOM 719 NE2 GLN A 45 -0.986 15.748 0.853 1.00 0.00 N < ATOM 720 H GLN A 45 0.086 15.268 -3.329 1.00 0.00 H < ATOM 721 HA GLN A 45 0.236 17.608 -1.537 1.00 0.00 H < ATOM 722 1HB GLN A 45 2.192 15.394 -2.193 1.00 0.00 H < ATOM 723 2HB GLN A 45 2.466 16.669 -0.981 1.00 0.00 H < ATOM 724 1HG GLN A 45 0.354 14.365 -0.667 1.00 0.00 H < ATOM 725 2HG GLN A 45 1.926 14.822 0.032 1.00 0.00 H < ATOM 726 1HE2 GLN A 45 -1.511 16.273 1.526 1.00 0.00 H < ATOM 727 2HE2 GLN A 45 -1.422 14.998 0.354 1.00 0.00 H < ATOM 728 N THR A 46 1.854 17.566 -4.353 1.00 0.00 N < ATOM 729 CA THR A 46 2.618 18.391 -5.294 1.00 0.00 C < ATOM 730 C THR A 46 1.731 19.424 -5.980 1.00 0.00 C < ATOM 731 O THR A 46 0.850 20.014 -5.357 1.00 0.00 O < ATOM 732 OXT THR A 46 1.887 19.673 -7.143 1.00 0.00 O < ATOM 733 CB THR A 46 3.305 17.531 -6.372 1.00 0.00 C < ATOM 734 OG1 THR A 46 4.218 16.619 -5.748 1.00 0.00 O < ATOM 735 CG2 THR A 46 4.064 18.409 -7.353 1.00 0.00 C < ATOM 736 H THR A 46 1.479 16.681 -4.666 1.00 0.00 H < ATOM 737 HA THR A 46 3.383 18.951 -4.757 1.00 0.00 H < ATOM 738 HB THR A 46 2.546 16.961 -6.908 1.00 0.00 H < ATOM 739 HG1 THR A 46 4.190 16.739 -4.796 1.00 0.00 H < ATOM 740 1HG2 THR A 46 4.542 17.783 -8.106 1.00 0.00 H < ATOM 741 2HG2 THR A 46 3.370 19.096 -7.837 1.00 0.00 H < ATOM 742 3HG2 THR A 46 4.823 18.977 -6.819 1.00 0.00 H < HETATM 743 ZN ZN A 47 7.922 -1.921 5.785 1.00 0.00 ZN --- > ATOM 1 N GLY A 1 -4.518 15.424 0.736 1.00 0.00 N > ATOM 2 CA GLY A 1 -3.299 14.844 1.363 1.00 0.00 C > ATOM 3 C GLY A 1 -3.570 13.710 2.333 1.00 0.00 C > ATOM 4 O GLY A 1 -3.317 12.551 2.017 1.00 0.00 O > ATOM 5 1H GLY A 1 -4.734 16.391 0.866 1.00 0.00 H > ATOM 6 2H GLY A 1 -4.626 15.404 -0.258 1.00 0.00 H > ATOM 7 3H GLY A 1 -5.420 15.061 0.967 1.00 0.00 H > ATOM 8 1HA GLY A 1 -2.648 14.453 0.580 1.00 0.00 H > ATOM 9 2HA GLY A 1 -2.776 15.624 1.913 1.00 0.00 H > ATOM 10 N SER A 2 -4.085 14.049 3.513 1.00 0.00 N > ATOM 11 CA SER A 2 -4.342 13.070 4.576 1.00 0.00 C > ATOM 12 C SER A 2 -4.925 11.731 4.106 1.00 0.00 C > ATOM 13 O SER A 2 -4.346 10.688 4.396 1.00 0.00 O > ATOM 14 CB SER A 2 -5.270 13.690 5.603 1.00 0.00 C > ATOM 15 OG SER A 2 -4.625 14.666 6.374 1.00 0.00 O > ATOM 16 H SER A 2 -4.305 15.021 3.676 1.00 0.00 H > ATOM 17 HA SER A 2 -3.459 12.840 5.175 1.00 0.00 H > ATOM 18 1HB SER A 2 -6.109 14.147 5.081 1.00 0.00 H > ATOM 19 2HB SER A 2 -5.638 12.903 6.261 1.00 0.00 H > ATOM 20 HG SER A 2 -3.705 14.728 6.106 1.00 0.00 H > ATOM 21 N PRO A 3 -6.073 11.747 3.405 1.00 0.00 N > ATOM 22 CA PRO A 3 -6.693 10.468 3.029 1.00 0.00 C > ATOM 23 C PRO A 3 -5.801 9.593 2.130 1.00 0.00 C > ATOM 24 O PRO A 3 -5.980 8.367 2.094 1.00 0.00 O > ATOM 25 CB PRO A 3 -7.977 10.893 2.309 1.00 0.00 C > ATOM 26 CG PRO A 3 -7.730 12.309 1.915 1.00 0.00 C > ATOM 27 CD PRO A 3 -6.907 12.897 3.029 1.00 0.00 C > ATOM 28 HA PRO A 3 -6.895 9.822 3.896 1.00 0.00 H > ATOM 29 1HB PRO A 3 -8.172 10.263 1.429 1.00 0.00 H > ATOM 30 2HB PRO A 3 -8.854 10.810 2.968 1.00 0.00 H > ATOM 31 1HG PRO A 3 -7.196 12.367 0.955 1.00 0.00 H > ATOM 32 2HG PRO A 3 -8.675 12.857 1.790 1.00 0.00 H > ATOM 33 1HD PRO A 3 -6.303 13.753 2.694 1.00 0.00 H > ATOM 34 2HD PRO A 3 -7.530 13.250 3.864 1.00 0.00 H > ATOM 35 N LEU A 4 -4.860 10.211 1.419 1.00 0.00 N > ATOM 36 CA LEU A 4 -3.939 9.477 0.537 1.00 0.00 C > ATOM 37 C LEU A 4 -2.819 8.814 1.334 1.00 0.00 C > ATOM 38 O LEU A 4 -2.460 7.663 1.080 1.00 0.00 O > ATOM 39 CB LEU A 4 -3.350 10.417 -0.521 1.00 0.00 C > ATOM 40 CG LEU A 4 -4.364 11.002 -1.512 1.00 0.00 C > ATOM 41 CD1 LEU A 4 -3.681 12.015 -2.422 1.00 0.00 C > ATOM 42 CD2 LEU A 4 -4.985 9.878 -2.328 1.00 0.00 C > ATOM 43 H LEU A 4 -4.778 11.215 1.488 1.00 0.00 H > ATOM 44 HA LEU A 4 -4.477 8.674 0.034 1.00 0.00 H > ATOM 45 1HB LEU A 4 -2.969 11.202 0.130 1.00 0.00 H > ATOM 46 2HB LEU A 4 -2.519 9.954 -1.056 1.00 0.00 H > ATOM 47 HG LEU A 4 -5.157 11.467 -0.927 1.00 0.00 H > ATOM 48 1HD1 LEU A 4 -4.409 12.425 -3.123 1.00 0.00 H > ATOM 49 2HD1 LEU A 4 -3.264 12.822 -1.820 1.00 0.00 H > ATOM 50 3HD1 LEU A 4 -2.882 11.525 -2.977 1.00 0.00 H > ATOM 51 1HD2 LEU A 4 -5.706 10.296 -3.032 1.00 0.00 H > ATOM 52 2HD2 LEU A 4 -4.205 9.351 -2.878 1.00 0.00 H > ATOM 53 3HD2 LEU A 4 -5.492 9.181 -1.662 1.00 0.00 H > ATOM 54 N LEU A 5 -2.255 9.543 2.293 1.00 0.00 N > ATOM 55 CA LEU A 5 -1.233 8.979 3.169 1.00 0.00 C > ATOM 56 C LEU A 5 -1.805 7.859 4.050 1.00 0.00 C > ATOM 57 O LEU A 5 -1.129 6.867 4.313 1.00 0.00 O > ATOM 58 CB LEU A 5 -0.620 10.084 4.038 1.00 0.00 C > ATOM 59 CG LEU A 5 0.624 9.673 4.836 1.00 0.00 C > ATOM 60 CD1 LEU A 5 1.720 9.205 3.888 1.00 0.00 C > ATOM 61 CD2 LEU A 5 1.102 10.848 5.676 1.00 0.00 C > ATOM 62 H LEU A 5 -2.536 10.505 2.420 1.00 0.00 H > ATOM 63 HA LEU A 5 -0.447 8.523 2.567 1.00 0.00 H > ATOM 64 1HB LEU A 5 -0.345 10.791 3.257 1.00 0.00 H > ATOM 65 2HB LEU A 5 -1.360 10.538 4.696 1.00 0.00 H > ATOM 66 HG LEU A 5 0.324 8.876 5.517 1.00 0.00 H > ATOM 67 1HD1 LEU A 5 2.601 8.914 4.462 1.00 0.00 H > ATOM 68 2HD1 LEU A 5 1.365 8.349 3.314 1.00 0.00 H > ATOM 69 3HD1 LEU A 5 1.983 10.014 3.208 1.00 0.00 H > ATOM 70 1HD2 LEU A 5 1.986 10.552 6.242 1.00 0.00 H > ATOM 71 2HD2 LEU A 5 1.351 11.684 5.023 1.00 0.00 H > ATOM 72 3HD2 LEU A 5 0.313 11.147 6.365 1.00 0.00 H > ATOM 73 N GLN A 6 -3.044 8.023 4.506 1.00 0.00 N > ATOM 74 CA GLN A 6 -3.712 7.003 5.319 1.00 0.00 C > ATOM 75 C GLN A 6 -3.897 5.706 4.524 1.00 0.00 C > ATOM 76 O GLN A 6 -3.688 4.604 5.051 1.00 0.00 O > ATOM 77 CB GLN A 6 -5.072 7.510 5.808 1.00 0.00 C > ATOM 78 CG GLN A 6 -4.986 8.576 6.886 1.00 0.00 C > ATOM 79 CD GLN A 6 -6.327 9.231 7.160 1.00 0.00 C > ATOM 80 OE1 GLN A 6 -7.299 9.018 6.428 1.00 0.00 O > ATOM 81 NE2 GLN A 6 -6.388 10.036 8.215 1.00 0.00 N > ATOM 82 H GLN A 6 -3.536 8.876 4.284 1.00 0.00 H > ATOM 83 HA GLN A 6 -3.090 6.757 6.179 1.00 0.00 H > ATOM 84 1HB GLN A 6 -5.592 7.906 4.936 1.00 0.00 H > ATOM 85 2HB GLN A 6 -5.611 6.643 6.190 1.00 0.00 H > ATOM 86 1HG GLN A 6 -4.493 8.410 7.843 1.00 0.00 H > ATOM 87 2HG GLN A 6 -4.386 9.260 6.284 1.00 0.00 H > ATOM 88 1HE2 GLN A 6 -7.247 10.495 8.445 1.00 0.00 H > ATOM 89 2HE2 GLN A 6 -5.576 10.182 8.781 1.00 0.00 H > ATOM 90 N GLN A 7 -4.288 5.843 3.258 1.00 0.00 N > ATOM 91 CA GLN A 7 -4.448 4.695 2.355 1.00 0.00 C > ATOM 92 C GLN A 7 -3.112 4.007 2.109 1.00 0.00 C > ATOM 93 O GLN A 7 -3.041 2.775 2.056 1.00 0.00 O > ATOM 94 CB GLN A 7 -5.052 5.137 1.020 1.00 0.00 C > ATOM 95 CG GLN A 7 -5.531 3.991 0.145 1.00 0.00 C > ATOM 96 CD GLN A 7 -6.737 3.280 0.728 1.00 0.00 C > ATOM 97 OE1 GLN A 7 -7.757 3.906 1.030 1.00 0.00 O > ATOM 98 NE2 GLN A 7 -6.626 1.968 0.894 1.00 0.00 N > ATOM 99 H GLN A 7 -4.480 6.772 2.912 1.00 0.00 H > ATOM 100 HA GLN A 7 -5.102 3.956 2.816 1.00 0.00 H > ATOM 101 1HB GLN A 7 -5.888 5.796 1.255 1.00 0.00 H > ATOM 102 2HB GLN A 7 -4.282 5.702 0.496 1.00 0.00 H > ATOM 103 1HG GLN A 7 -5.691 4.094 -0.928 1.00 0.00 H > ATOM 104 2HG GLN A 7 -4.648 3.373 0.321 1.00 0.00 H > ATOM 105 1HE2 GLN A 7 -7.389 1.445 1.275 1.00 0.00 H > ATOM 106 2HE2 GLN A 7 -5.780 1.500 0.637 1.00 0.00 H > ATOM 107 N ILE A 8 -2.057 4.801 1.956 1.00 0.00 N > ATOM 108 CA ILE A 8 -0.688 4.287 1.857 1.00 0.00 C > ATOM 109 C ILE A 8 -0.279 3.517 3.124 1.00 0.00 C > ATOM 110 O ILE A 8 0.289 2.421 3.024 1.00 0.00 O > ATOM 111 CB ILE A 8 0.320 5.424 1.610 1.00 0.00 C > ATOM 112 CG1 ILE A 8 0.150 5.990 0.198 1.00 0.00 C > ATOM 113 CG2 ILE A 8 1.743 4.928 1.820 1.00 0.00 C > ATOM 114 CD1 ILE A 8 0.924 7.267 -0.044 1.00 0.00 C > ATOM 115 H ILE A 8 -2.212 5.797 1.905 1.00 0.00 H > ATOM 116 HA ILE A 8 -0.611 3.551 1.056 1.00 0.00 H > ATOM 117 HB ILE A 8 0.113 6.238 2.302 1.00 0.00 H > ATOM 118 1HG1 ILE A 8 0.485 5.224 -0.502 1.00 0.00 H > ATOM 119 2HG1 ILE A 8 -0.913 6.177 0.050 1.00 0.00 H > ATOM 120 1HG2 ILE A 8 2.443 5.743 1.641 1.00 0.00 H > ATOM 121 2HG2 ILE A 8 1.856 4.571 2.843 1.00 0.00 H > ATOM 122 3HG2 ILE A 8 1.951 4.112 1.126 1.00 0.00 H > ATOM 123 1HD1 ILE A 8 0.754 7.608 -1.066 1.00 0.00 H > ATOM 124 2HD1 ILE A 8 0.589 8.035 0.654 1.00 0.00 H > ATOM 125 3HD1 ILE A 8 1.987 7.083 0.102 1.00 0.00 H > ATOM 126 N HIS A 9 -0.571 4.074 4.302 1.00 0.00 N > ATOM 127 CA HIS A 9 -0.294 3.380 5.571 1.00 0.00 C > ATOM 128 C HIS A 9 -1.026 2.036 5.622 1.00 0.00 C > ATOM 129 O HIS A 9 -0.442 0.999 5.950 1.00 0.00 O > ATOM 130 CB HIS A 9 -0.708 4.241 6.768 1.00 0.00 C > ATOM 131 CG HIS A 9 -0.422 3.606 8.094 1.00 0.00 C > ATOM 132 ND1 HIS A 9 0.845 3.562 8.638 1.00 0.00 N > ATOM 133 CD2 HIS A 9 -1.236 2.991 8.982 1.00 0.00 C > ATOM 134 CE1 HIS A 9 0.796 2.945 9.807 1.00 0.00 C > ATOM 135 NE2 HIS A 9 -0.455 2.589 10.038 1.00 0.00 N > ATOM 136 H HIS A 9 -0.991 4.991 4.324 1.00 0.00 H > ATOM 137 HA HIS A 9 0.772 3.163 5.645 1.00 0.00 H > ATOM 138 1HB HIS A 9 -0.186 5.197 6.727 1.00 0.00 H > ATOM 139 2HB HIS A 9 -1.777 4.449 6.714 1.00 0.00 H > ATOM 140 HD2 HIS A 9 -2.311 2.841 8.880 1.00 0.00 H > ATOM 141 HE1 HIS A 9 1.643 2.763 10.467 1.00 0.00 H > ATOM 142 HE2 HIS A 9 -0.788 2.101 10.857 1.00 0.00 H > ATOM 143 N ASN A 10 -2.321 2.075 5.329 1.00 0.00 N > ATOM 144 CA ASN A 10 -3.162 0.887 5.418 1.00 0.00 C > ATOM 145 C ASN A 10 -2.713 -0.229 4.479 1.00 0.00 C > ATOM 146 O ASN A 10 -2.566 -1.368 4.922 1.00 0.00 O > ATOM 147 CB ASN A 10 -4.616 1.232 5.151 1.00 0.00 C > ATOM 148 CG ASN A 10 -5.281 1.969 6.281 1.00 0.00 C > ATOM 149 OD1 ASN A 10 -4.798 1.968 7.419 1.00 0.00 O > ATOM 150 ND2 ASN A 10 -6.427 2.530 5.991 1.00 0.00 N > ATOM 151 H ASN A 10 -2.732 2.949 5.036 1.00 0.00 H > ATOM 152 HA ASN A 10 -3.099 0.464 6.422 1.00 0.00 H > ATOM 153 1HB ASN A 10 -4.918 1.681 4.204 1.00 0.00 H > ATOM 154 2HB ASN A 10 -4.933 0.189 5.176 1.00 0.00 H > ATOM 155 1HD2 ASN A 10 -6.927 3.037 6.693 1.00 0.00 H > ATOM 156 2HD2 ASN A 10 -6.803 2.451 5.068 1.00 0.00 H > ATOM 157 N ILE A 11 -2.485 0.075 3.200 1.00 0.00 N > ATOM 158 CA ILE A 11 -2.080 -0.975 2.251 1.00 0.00 C > ATOM 159 C ILE A 11 -0.732 -1.564 2.666 1.00 0.00 C > ATOM 160 O ILE A 11 -0.538 -2.783 2.637 1.00 0.00 O > ATOM 161 CB ILE A 11 -1.979 -0.443 0.810 1.00 0.00 C > ATOM 162 CG1 ILE A 11 -3.356 -0.002 0.306 1.00 0.00 C > ATOM 163 CG2 ILE A 11 -1.387 -1.500 -0.108 1.00 0.00 C > ATOM 164 CD1 ILE A 11 -4.382 -1.112 0.283 1.00 0.00 C > ATOM 165 H ILE A 11 -2.586 1.023 2.870 1.00 0.00 H > ATOM 166 HA ILE A 11 -2.783 -1.808 2.276 1.00 0.00 H > ATOM 167 HB ILE A 11 -1.344 0.442 0.802 1.00 0.00 H > ATOM 168 1HG1 ILE A 11 -3.701 0.798 0.960 1.00 0.00 H > ATOM 169 2HG1 ILE A 11 -3.223 0.388 -0.704 1.00 0.00 H > ATOM 170 1HG2 ILE A 11 -1.323 -1.107 -1.123 1.00 0.00 H > ATOM 171 2HG2 ILE A 11 -0.390 -1.767 0.240 1.00 0.00 H > ATOM 172 3HG2 ILE A 11 -2.024 -2.386 -0.102 1.00 0.00 H > ATOM 173 1HD1 ILE A 11 -5.331 -0.723 -0.086 1.00 0.00 H > ATOM 174 2HD1 ILE A 11 -4.039 -1.913 -0.374 1.00 0.00 H > ATOM 175 3HD1 ILE A 11 -4.519 -1.503 1.290 1.00 0.00 H > ATOM 176 N HIS A 12 0.224 -0.699 3.083 1.00 0.00 N > ATOM 177 CA HIS A 12 1.517 -1.179 3.560 1.00 0.00 C > ATOM 178 C HIS A 12 1.343 -2.189 4.670 1.00 0.00 C > ATOM 179 O HIS A 12 1.986 -3.254 4.656 1.00 0.00 O > ATOM 180 CB HIS A 12 2.390 -0.019 4.049 1.00 0.00 C > ATOM 181 CG HIS A 12 3.596 -0.458 4.817 1.00 0.00 C > ATOM 182 ND1 HIS A 12 3.856 -0.032 6.104 1.00 0.00 N > ATOM 183 CD2 HIS A 12 4.614 -1.284 4.483 1.00 0.00 C > ATOM 184 CE1 HIS A 12 4.982 -0.576 6.527 1.00 0.00 C > ATOM 185 NE2 HIS A 12 5.462 -1.342 5.561 1.00 0.00 N > ATOM 186 H HIS A 12 0.044 0.295 3.065 1.00 0.00 H > ATOM 187 HA HIS A 12 2.042 -1.690 2.752 1.00 0.00 H > ATOM 188 1HB HIS A 12 2.755 0.560 3.199 1.00 0.00 H > ATOM 189 2HB HIS A 12 1.816 0.629 4.709 1.00 0.00 H > ATOM 190 HD1 HIS A 12 3.256 0.534 6.670 1.00 0.00 H > ATOM 191 HD2 HIS A 12 4.841 -1.854 3.581 1.00 0.00 H > ATOM 192 HE1 HIS A 12 5.362 -0.361 7.525 1.00 0.00 H > ATOM 193 N SER A 13 0.521 -1.873 5.668 1.00 0.00 N > ATOM 194 CA SER A 13 0.231 -2.812 6.762 1.00 0.00 C > ATOM 195 C SER A 13 -0.423 -4.100 6.261 1.00 0.00 C > ATOM 196 O SER A 13 -0.079 -5.188 6.723 1.00 0.00 O > ATOM 197 CB SER A 13 -0.673 -2.151 7.784 1.00 0.00 C > ATOM 198 OG SER A 13 -0.024 -1.076 8.407 1.00 0.00 O > ATOM 199 H SER A 13 0.085 -0.963 5.672 1.00 0.00 H > ATOM 200 HA SER A 13 1.108 -3.064 7.359 1.00 0.00 H > ATOM 201 1HB SER A 13 -1.580 -1.797 7.294 1.00 0.00 H > ATOM 202 2HB SER A 13 -0.970 -2.883 8.534 1.00 0.00 H > ATOM 203 HG SER A 13 -0.050 -0.351 7.777 1.00 0.00 H > ATOM 204 N PHE A 14 -1.358 -3.987 5.319 1.00 0.00 N > ATOM 205 CA PHE A 14 -2.033 -5.175 4.770 1.00 0.00 C > ATOM 206 C PHE A 14 -1.047 -6.132 4.081 1.00 0.00 C > ATOM 207 O PHE A 14 -1.217 -7.350 4.146 1.00 0.00 O > ATOM 208 CB PHE A 14 -3.126 -4.753 3.785 1.00 0.00 C > ATOM 209 CG PHE A 14 -4.237 -3.964 4.414 1.00 0.00 C > ATOM 210 CD1 PHE A 14 -4.412 -3.959 5.790 1.00 0.00 C > ATOM 211 CD2 PHE A 14 -5.112 -3.225 3.631 1.00 0.00 C > ATOM 212 CE1 PHE A 14 -5.435 -3.233 6.370 1.00 0.00 C > ATOM 213 CE2 PHE A 14 -6.134 -2.497 4.209 1.00 0.00 C > ATOM 214 CZ PHE A 14 -6.297 -2.502 5.579 1.00 0.00 C > ATOM 215 H PHE A 14 -1.610 -3.074 4.972 1.00 0.00 H > ATOM 216 HA PHE A 14 -2.492 -5.747 5.578 1.00 0.00 H > ATOM 217 1HB PHE A 14 -2.702 -4.127 3.001 1.00 0.00 H > ATOM 218 2HB PHE A 14 -3.585 -5.634 3.335 1.00 0.00 H > ATOM 219 HD1 PHE A 14 -3.730 -4.537 6.414 1.00 0.00 H > ATOM 220 HD2 PHE A 14 -4.985 -3.221 2.548 1.00 0.00 H > ATOM 221 HE1 PHE A 14 -5.560 -3.239 7.452 1.00 0.00 H > ATOM 222 HE2 PHE A 14 -6.814 -1.919 3.582 1.00 0.00 H > ATOM 223 HZ PHE A 14 -7.104 -1.931 6.035 1.00 0.00 H > ATOM 224 N ILE A 15 -0.035 -5.593 3.404 1.00 0.00 N > ATOM 225 CA ILE A 15 0.961 -6.430 2.722 1.00 0.00 C > ATOM 226 C ILE A 15 1.693 -7.338 3.730 1.00 0.00 C > ATOM 227 O ILE A 15 1.823 -8.545 3.503 1.00 0.00 O > ATOM 228 CB ILE A 15 1.984 -5.562 1.967 1.00 0.00 C > ATOM 229 CG1 ILE A 15 1.309 -4.836 0.800 1.00 0.00 C > ATOM 230 CG2 ILE A 15 3.141 -6.415 1.470 1.00 0.00 C > ATOM 231 CD1 ILE A 15 2.147 -3.728 0.203 1.00 0.00 C > ATOM 232 H ILE A 15 0.052 -4.588 3.357 1.00 0.00 H > ATOM 233 HA ILE A 15 0.476 -7.115 2.028 1.00 0.00 H > ATOM 234 HB ILE A 15 2.372 -4.793 2.634 1.00 0.00 H > ATOM 235 1HG1 ILE A 15 1.079 -5.552 0.011 1.00 0.00 H > ATOM 236 2HG1 ILE A 15 0.366 -4.406 1.135 1.00 0.00 H > ATOM 237 1HG2 ILE A 15 3.854 -5.786 0.938 1.00 0.00 H > ATOM 238 2HG2 ILE A 15 3.635 -6.886 2.319 1.00 0.00 H > ATOM 239 3HG2 ILE A 15 2.763 -7.185 0.797 1.00 0.00 H > ATOM 240 1HD1 ILE A 15 1.603 -3.262 -0.618 1.00 0.00 H > ATOM 241 2HD1 ILE A 15 2.361 -2.981 0.969 1.00 0.00 H > ATOM 242 3HD1 ILE A 15 3.083 -4.142 -0.172 1.00 0.00 H > ATOM 243 N HIS A 16 2.173 -6.763 4.867 1.00 0.00 N > ATOM 244 CA HIS A 16 2.879 -7.557 5.868 1.00 0.00 C > ATOM 245 C HIS A 16 1.975 -8.616 6.452 1.00 0.00 C > ATOM 246 O HIS A 16 2.422 -9.731 6.743 1.00 0.00 O > ATOM 247 CB HIS A 16 3.428 -6.663 6.984 1.00 0.00 C > ATOM 248 CG HIS A 16 4.692 -5.949 6.616 1.00 0.00 C > ATOM 249 ND1 HIS A 16 5.869 -6.612 6.345 1.00 0.00 N > ATOM 250 CD2 HIS A 16 4.962 -4.629 6.479 1.00 0.00 C > ATOM 251 CE1 HIS A 16 6.809 -5.732 6.052 1.00 0.00 C > ATOM 252 NE2 HIS A 16 6.285 -4.521 6.126 1.00 0.00 N > ATOM 253 H HIS A 16 2.043 -5.775 5.026 1.00 0.00 H > ATOM 254 HA HIS A 16 3.716 -8.079 5.402 1.00 0.00 H > ATOM 255 1HB HIS A 16 2.698 -5.893 7.242 1.00 0.00 H > ATOM 256 2HB HIS A 16 3.651 -7.260 7.867 1.00 0.00 H > ATOM 257 HD1 HIS A 16 5.989 -7.604 6.287 1.00 0.00 H > ATOM 258 HD2 HIS A 16 4.353 -3.732 6.591 1.00 0.00 H > ATOM 259 HE1 HIS A 16 7.818 -6.059 5.805 1.00 0.00 H > ATOM 260 N GLN A 17 0.717 -8.265 6.674 1.00 0.00 N > ATOM 261 CA GLN A 17 -0.261 -9.234 7.155 1.00 0.00 C > ATOM 262 C GLN A 17 -0.491 -10.365 6.147 1.00 0.00 C > ATOM 263 O GLN A 17 -0.558 -11.545 6.535 1.00 0.00 O > ATOM 264 CB GLN A 17 -1.590 -8.535 7.458 1.00 0.00 C > ATOM 265 CG GLN A 17 -1.548 -7.614 8.664 1.00 0.00 C > ATOM 266 CD GLN A 17 -2.831 -6.821 8.832 1.00 0.00 C > ATOM 267 OE1 GLN A 17 -3.699 -6.824 7.955 1.00 0.00 O > ATOM 268 NE2 GLN A 17 -2.957 -6.133 9.961 1.00 0.00 N > ATOM 269 H GLN A 17 0.426 -7.312 6.508 1.00 0.00 H > ATOM 270 HA GLN A 17 0.112 -9.711 8.061 1.00 0.00 H > ATOM 271 1HB GLN A 17 -1.856 -7.966 6.568 1.00 0.00 H > ATOM 272 2HB GLN A 17 -2.328 -9.321 7.621 1.00 0.00 H > ATOM 273 1HG GLN A 17 -1.229 -7.949 9.651 1.00 0.00 H > ATOM 274 2HG GLN A 17 -0.787 -6.956 8.243 1.00 0.00 H > ATOM 275 1HE2 GLN A 17 -3.781 -5.591 10.127 1.00 0.00 H > ATOM 276 2HE2 GLN A 17 -2.228 -6.156 10.645 1.00 0.00 H > ATOM 277 N ALA A 18 -0.608 -10.015 4.864 1.00 0.00 N > ATOM 278 CA ALA A 18 -0.730 -11.008 3.788 1.00 0.00 C > ATOM 279 C ALA A 18 0.513 -11.899 3.689 1.00 0.00 C > ATOM 280 O ALA A 18 0.409 -13.110 3.454 1.00 0.00 O > ATOM 281 CB ALA A 18 -0.990 -10.315 2.458 1.00 0.00 C > ATOM 282 H ALA A 18 -0.613 -9.033 4.629 1.00 0.00 H > ATOM 283 HA ALA A 18 -1.572 -11.663 4.010 1.00 0.00 H > ATOM 284 1HB ALA A 18 -1.079 -11.063 1.670 1.00 0.00 H > ATOM 285 2HB ALA A 18 -1.916 -9.744 2.520 1.00 0.00 H > ATOM 286 3HB ALA A 18 -0.164 -9.645 2.230 1.00 0.00 H > ATOM 287 N GLN A 19 1.692 -11.308 3.867 1.00 0.00 N > ATOM 288 CA GLN A 19 2.935 -12.081 3.846 1.00 0.00 C > ATOM 289 C GLN A 19 2.968 -13.076 5.016 1.00 0.00 C > ATOM 290 O GLN A 19 3.311 -14.247 4.823 1.00 0.00 O > ATOM 291 CB GLN A 19 4.149 -11.151 3.906 1.00 0.00 C > ATOM 292 CG GLN A 19 4.375 -10.339 2.642 1.00 0.00 C > ATOM 293 CD GLN A 19 5.479 -9.312 2.804 1.00 0.00 C > ATOM 294 OE1 GLN A 19 5.776 -8.869 3.917 1.00 0.00 O > ATOM 295 NE2 GLN A 19 6.094 -8.925 1.692 1.00 0.00 N > ATOM 296 H GLN A 19 1.736 -10.311 4.020 1.00 0.00 H > ATOM 297 HA GLN A 19 2.990 -12.667 2.927 1.00 0.00 H > ATOM 298 1HB GLN A 19 4.033 -10.455 4.737 1.00 0.00 H > ATOM 299 2HB GLN A 19 5.048 -11.738 4.094 1.00 0.00 H > ATOM 300 1HG GLN A 19 4.653 -11.015 1.833 1.00 0.00 H > ATOM 301 2HG GLN A 19 3.454 -9.815 2.390 1.00 0.00 H > ATOM 302 1HE2 GLN A 19 6.831 -8.249 1.736 1.00 0.00 H > ATOM 303 2HE2 GLN A 19 5.822 -9.310 0.810 1.00 0.00 H > ATOM 304 N ALA A 20 2.594 -12.616 6.211 1.00 0.00 N > ATOM 305 CA ALA A 20 2.536 -13.479 7.400 1.00 0.00 C > ATOM 306 C ALA A 20 1.569 -14.654 7.235 1.00 0.00 C > ATOM 307 O ALA A 20 1.837 -15.755 7.730 1.00 0.00 O > ATOM 308 CB ALA A 20 2.153 -12.657 8.621 1.00 0.00 C > ATOM 309 H ALA A 20 2.343 -11.642 6.297 1.00 0.00 H > ATOM 310 HA ALA A 20 3.522 -13.914 7.565 1.00 0.00 H > ATOM 311 1HB ALA A 20 2.114 -13.305 9.497 1.00 0.00 H > ATOM 312 2HB ALA A 20 2.896 -11.876 8.782 1.00 0.00 H > ATOM 313 3HB ALA A 20 1.177 -12.203 8.462 1.00 0.00 H > ATOM 314 N ALA A 21 0.454 -14.411 6.543 1.00 0.00 N > ATOM 315 CA ALA A 21 -0.556 -15.443 6.269 1.00 0.00 C > ATOM 316 C ALA A 21 -0.206 -16.325 5.064 1.00 0.00 C > ATOM 317 O ALA A 21 -0.916 -17.290 4.780 1.00 0.00 O > ATOM 318 CB ALA A 21 -1.916 -14.791 6.059 1.00 0.00 C > ATOM 319 H ALA A 21 0.306 -13.474 6.196 1.00 0.00 H > ATOM 320 HA ALA A 21 -0.614 -16.112 7.127 1.00 0.00 H > ATOM 321 1HB ALA A 21 -2.660 -15.562 5.855 1.00 0.00 H > ATOM 322 2HB ALA A 21 -2.199 -14.241 6.956 1.00 0.00 H > ATOM 323 3HB ALA A 21 -1.864 -14.106 5.215 1.00 0.00 H > ATOM 324 N GLY A 22 0.875 -16.005 4.356 1.00 0.00 N > ATOM 325 CA GLY A 22 1.234 -16.715 3.127 1.00 0.00 C > ATOM 326 C GLY A 22 0.367 -16.378 1.925 1.00 0.00 C > ATOM 327 O GLY A 22 0.400 -17.089 0.922 1.00 0.00 O > ATOM 328 H GLY A 22 1.463 -15.250 4.677 1.00 0.00 H > ATOM 329 1HA GLY A 22 2.264 -16.472 2.862 1.00 0.00 H > ATOM 330 2HA GLY A 22 1.149 -17.788 3.296 1.00 0.00 H > ATOM 331 N ARG A 23 -0.395 -15.289 2.020 1.00 0.00 N > ATOM 332 CA ARG A 23 -1.362 -14.916 0.976 1.00 0.00 C > ATOM 333 C ARG A 23 -0.671 -14.119 -0.138 1.00 0.00 C > ATOM 334 O ARG A 23 -0.955 -12.929 -0.324 1.00 0.00 O > ATOM 335 CB ARG A 23 -2.561 -14.168 1.538 1.00 0.00 C > ATOM 336 CG ARG A 23 -3.422 -14.972 2.501 1.00 0.00 C > ATOM 337 CD ARG A 23 -4.500 -14.189 3.158 1.00 0.00 C > ATOM 338 NE ARG A 23 -5.568 -13.768 2.265 1.00 0.00 N > ATOM 339 CZ ARG A 23 -6.554 -12.913 2.601 1.00 0.00 C > ATOM 340 NH1 ARG A 23 -6.636 -12.417 3.815 1.00 0.00 N > ATOM 341 NH2 ARG A 23 -7.453 -12.606 1.682 1.00 0.00 N > ATOM 342 H ARG A 23 -0.302 -14.703 2.836 1.00 0.00 H > ATOM 343 HA ARG A 23 -1.773 -15.815 0.516 1.00 0.00 H > ATOM 344 1HB ARG A 23 -2.176 -13.287 2.049 1.00 0.00 H > ATOM 345 2HB ARG A 23 -3.169 -13.858 0.688 1.00 0.00 H > ATOM 346 1HG ARG A 23 -3.887 -15.790 1.951 1.00 0.00 H > ATOM 347 2HG ARG A 23 -2.778 -15.380 3.282 1.00 0.00 H > ATOM 348 1HD ARG A 23 -4.951 -14.796 3.942 1.00 0.00 H > ATOM 349 2HD ARG A 23 -4.068 -13.291 3.596 1.00 0.00 H > ATOM 350 HE ARG A 23 -5.742 -14.027 1.303 1.00 0.00 H > ATOM 351 1HH1 ARG A 23 -5.951 -12.677 4.510 1.00 0.00 H > ATOM 352 2HH1 ARG A 23 -7.383 -11.779 4.046 1.00 0.00 H > ATOM 353 1HH2 ARG A 23 -7.386 -13.011 0.757 1.00 0.00 H > ATOM 354 2HH2 ARG A 23 -8.203 -11.969 1.905 1.00 0.00 H > ATOM 355 N MET A 24 0.213 -14.784 -0.880 1.00 0.00 N > ATOM 356 CA MET A 24 1.039 -14.127 -1.902 1.00 0.00 C > ATOM 357 C MET A 24 0.240 -13.482 -3.044 1.00 0.00 C > ATOM 358 O MET A 24 0.709 -12.514 -3.651 1.00 0.00 O > ATOM 359 CB MET A 24 2.026 -15.140 -2.479 1.00 0.00 C > ATOM 360 CG MET A 24 3.144 -15.544 -1.528 1.00 0.00 C > ATOM 361 SD MET A 24 4.007 -14.124 -0.826 1.00 0.00 S > ATOM 362 CE MET A 24 4.640 -13.346 -2.309 1.00 0.00 C > ATOM 363 H MET A 24 0.316 -15.778 -0.729 1.00 0.00 H > ATOM 364 HA MET A 24 1.595 -13.302 -1.457 1.00 0.00 H > ATOM 365 1HB MET A 24 1.450 -16.022 -2.758 1.00 0.00 H > ATOM 366 2HB MET A 24 2.458 -14.689 -3.374 1.00 0.00 H > ATOM 367 1HG MET A 24 2.708 -16.132 -0.722 1.00 0.00 H > ATOM 368 2HG MET A 24 3.855 -16.157 -2.082 1.00 0.00 H > ATOM 369 1HE MET A 24 5.199 -12.449 -2.040 1.00 0.00 H > ATOM 370 2HE MET A 24 5.298 -14.041 -2.833 1.00 0.00 H > ATOM 371 3HE MET A 24 3.809 -13.073 -2.961 1.00 0.00 H > ATOM 372 N ASP A 25 -0.946 -14.010 -3.346 1.00 0.00 N > ATOM 373 CA ASP A 25 -1.803 -13.381 -4.350 1.00 0.00 C > ATOM 374 C ASP A 25 -2.189 -11.968 -3.914 1.00 0.00 C > ATOM 375 O ASP A 25 -2.190 -11.036 -4.729 1.00 0.00 O > ATOM 376 CB ASP A 25 -3.059 -14.221 -4.594 1.00 0.00 C > ATOM 377 CG ASP A 25 -2.808 -15.526 -5.339 1.00 0.00 C > ATOM 378 OD1 ASP A 25 -1.745 -15.675 -5.895 1.00 0.00 O > ATOM 379 OD2 ASP A 25 -3.610 -16.420 -5.216 1.00 0.00 O > ATOM 380 H ASP A 25 -1.265 -14.851 -2.885 1.00 0.00 H > ATOM 381 HA ASP A 25 -1.261 -13.287 -5.292 1.00 0.00 H > ATOM 382 1HB ASP A 25 -3.628 -14.426 -3.688 1.00 0.00 H > ATOM 383 2HB ASP A 25 -3.623 -13.542 -5.233 1.00 0.00 H > ATOM 384 N GLU A 26 -2.494 -11.820 -2.625 1.00 0.00 N > ATOM 385 CA GLU A 26 -2.829 -10.519 -2.026 1.00 0.00 C > ATOM 386 C GLU A 26 -1.594 -9.633 -1.896 1.00 0.00 C > ATOM 387 O GLU A 26 -1.664 -8.416 -2.080 1.00 0.00 O > ATOM 388 CB GLU A 26 -3.481 -10.709 -0.654 1.00 0.00 C > ATOM 389 CG GLU A 26 -4.835 -11.403 -0.692 1.00 0.00 C > ATOM 390 CD GLU A 26 -5.849 -10.582 -1.440 1.00 0.00 C > ATOM 391 OE1 GLU A 26 -5.978 -9.418 -1.143 1.00 0.00 O > ATOM 392 OE2 GLU A 26 -6.413 -11.085 -2.383 1.00 0.00 O > ATOM 393 H GLU A 26 -2.491 -12.645 -2.042 1.00 0.00 H > ATOM 394 HA GLU A 26 -3.528 -9.984 -2.671 1.00 0.00 H > ATOM 395 1HB GLU A 26 -2.789 -11.299 -0.052 1.00 0.00 H > ATOM 396 2HB GLU A 26 -3.593 -9.719 -0.214 1.00 0.00 H > ATOM 397 1HG GLU A 26 -4.796 -12.406 -1.117 1.00 0.00 H > ATOM 398 2HG GLU A 26 -5.121 -11.465 0.357 1.00 0.00 H > ATOM 399 N VAL A 27 -0.458 -10.237 -1.561 1.00 0.00 N > ATOM 400 CA VAL A 27 0.790 -9.479 -1.474 1.00 0.00 C > ATOM 401 C VAL A 27 1.122 -8.801 -2.810 1.00 0.00 C > ATOM 402 O VAL A 27 1.473 -7.623 -2.820 1.00 0.00 O > ATOM 403 CB VAL A 27 1.968 -10.379 -1.057 1.00 0.00 C > ATOM 404 CG1 VAL A 27 3.286 -9.632 -1.198 1.00 0.00 C > ATOM 405 CG2 VAL A 27 1.784 -10.869 0.371 1.00 0.00 C > ATOM 406 H VAL A 27 -0.446 -11.228 -1.365 1.00 0.00 H > ATOM 407 HA VAL A 27 0.707 -8.660 -0.760 1.00 0.00 H > ATOM 408 HB VAL A 27 1.983 -11.263 -1.696 1.00 0.00 H > ATOM 409 1HG1 VAL A 27 4.108 -10.284 -0.898 1.00 0.00 H > ATOM 410 2HG1 VAL A 27 3.423 -9.330 -2.236 1.00 0.00 H > ATOM 411 3HG1 VAL A 27 3.273 -8.749 -0.559 1.00 0.00 H > ATOM 412 1HG2 VAL A 27 2.625 -11.504 0.649 1.00 0.00 H > ATOM 413 2HG2 VAL A 27 1.736 -10.014 1.045 1.00 0.00 H > ATOM 414 3HG2 VAL A 27 0.859 -11.441 0.444 1.00 0.00 H > ATOM 415 N ARG A 28 1.014 -9.521 -3.931 1.00 0.00 N > ATOM 416 CA ARG A 28 1.275 -8.908 -5.248 1.00 0.00 C > ATOM 417 C ARG A 28 0.291 -7.799 -5.620 1.00 0.00 C > ATOM 418 O ARG A 28 0.712 -6.737 -6.085 1.00 0.00 O > ATOM 419 CB ARG A 28 1.339 -9.956 -6.349 1.00 0.00 C > ATOM 420 CG ARG A 28 2.548 -10.877 -6.287 1.00 0.00 C > ATOM 421 CD ARG A 28 2.509 -12.004 -7.253 1.00 0.00 C > ATOM 422 NE ARG A 28 3.657 -12.894 -7.187 1.00 0.00 N > ATOM 423 CZ ARG A 28 3.759 -14.062 -7.850 1.00 0.00 C > ATOM 424 NH1 ARG A 28 2.772 -14.504 -8.599 1.00 0.00 N > ATOM 425 NH2 ARG A 28 4.869 -14.766 -7.710 1.00 0.00 N > ATOM 426 H ARG A 28 0.752 -10.495 -3.885 1.00 0.00 H > ATOM 427 HA ARG A 28 2.254 -8.427 -5.245 1.00 0.00 H > ATOM 428 1HB ARG A 28 0.430 -10.552 -6.275 1.00 0.00 H > ATOM 429 2HB ARG A 28 1.345 -9.420 -7.299 1.00 0.00 H > ATOM 430 1HG ARG A 28 3.443 -10.289 -6.493 1.00 0.00 H > ATOM 431 2HG ARG A 28 2.612 -11.297 -5.283 1.00 0.00 H > ATOM 432 1HD ARG A 28 1.620 -12.603 -7.063 1.00 0.00 H > ATOM 433 2HD ARG A 28 2.466 -11.602 -8.265 1.00 0.00 H > ATOM 434 HE ARG A 28 4.519 -12.797 -6.667 1.00 0.00 H > ATOM 435 1HH1 ARG A 28 1.923 -13.963 -8.682 1.00 0.00 H > ATOM 436 2HH1 ARG A 28 2.868 -15.382 -9.089 1.00 0.00 H > ATOM 437 1HH2 ARG A 28 5.610 -14.421 -7.117 1.00 0.00 H > ATOM 438 2HH2 ARG A 28 4.970 -15.645 -8.196 1.00 0.00 H > ATOM 439 N THR A 29 -1.008 -8.018 -5.422 1.00 0.00 N > ATOM 440 CA THR A 29 -1.975 -6.967 -5.738 1.00 0.00 C > ATOM 441 C THR A 29 -1.779 -5.751 -4.826 1.00 0.00 C > ATOM 442 O THR A 29 -1.756 -4.620 -5.320 1.00 0.00 O > ATOM 443 CB THR A 29 -3.424 -7.471 -5.604 1.00 0.00 C > ATOM 444 OG1 THR A 29 -3.659 -8.515 -6.557 1.00 0.00 O > ATOM 445 CG2 THR A 29 -4.408 -6.337 -5.848 1.00 0.00 C > ATOM 446 H THR A 29 -1.341 -8.899 -5.056 1.00 0.00 H > ATOM 447 HA THR A 29 -1.820 -6.617 -6.760 1.00 0.00 H > ATOM 448 HB THR A 29 -3.570 -7.868 -4.600 1.00 0.00 H > ATOM 449 HG1 THR A 29 -2.852 -8.688 -7.048 1.00 0.00 H > ATOM 450 1HG2 THR A 29 -5.426 -6.713 -5.750 1.00 0.00 H > ATOM 451 2HG2 THR A 29 -4.239 -5.546 -5.118 1.00 0.00 H > ATOM 452 3HG2 THR A 29 -4.264 -5.940 -6.852 1.00 0.00 H > ATOM 453 N LEU A 30 -1.628 -5.980 -3.516 1.00 0.00 N > ATOM 454 CA LEU A 30 -1.431 -4.871 -2.564 1.00 0.00 C > ATOM 455 C LEU A 30 -0.117 -4.109 -2.814 1.00 0.00 C > ATOM 456 O LEU A 30 -0.081 -2.882 -2.686 1.00 0.00 O > ATOM 457 CB LEU A 30 -1.462 -5.405 -1.126 1.00 0.00 C > ATOM 458 CG LEU A 30 -2.817 -5.954 -0.663 1.00 0.00 C > ATOM 459 CD1 LEU A 30 -2.648 -6.740 0.630 1.00 0.00 C > ATOM 460 CD2 LEU A 30 -3.793 -4.802 -0.469 1.00 0.00 C > ATOM 461 H LEU A 30 -1.649 -6.929 -3.170 1.00 0.00 H > ATOM 462 HA LEU A 30 -2.226 -4.137 -2.688 1.00 0.00 H > ATOM 463 1HB LEU A 30 -0.744 -6.218 -1.224 1.00 0.00 H > ATOM 464 2HB LEU A 30 -1.085 -4.671 -0.414 1.00 0.00 H > ATOM 465 HG LEU A 30 -3.202 -6.586 -1.464 1.00 0.00 H > ATOM 466 1HD1 LEU A 30 -3.616 -7.126 0.950 1.00 0.00 H > ATOM 467 2HD1 LEU A 30 -1.965 -7.573 0.461 1.00 0.00 H > ATOM 468 3HD1 LEU A 30 -2.244 -6.088 1.402 1.00 0.00 H > ATOM 469 1HD2 LEU A 30 -4.756 -5.194 -0.140 1.00 0.00 H > ATOM 470 2HD2 LEU A 30 -3.402 -4.117 0.284 1.00 0.00 H > ATOM 471 3HD2 LEU A 30 -3.920 -4.270 -1.412 1.00 0.00 H > ATOM 472 N GLN A 31 0.960 -4.821 -3.138 1.00 0.00 N > ATOM 473 CA GLN A 31 2.236 -4.147 -3.399 1.00 0.00 C > ATOM 474 C GLN A 31 2.140 -3.191 -4.590 1.00 0.00 C > ATOM 475 O GLN A 31 2.676 -2.082 -4.537 1.00 0.00 O > ATOM 476 CB GLN A 31 3.340 -5.176 -3.656 1.00 0.00 C > ATOM 477 CG GLN A 31 4.735 -4.581 -3.760 1.00 0.00 C > ATOM 478 CD GLN A 31 5.232 -4.037 -2.435 1.00 0.00 C > ATOM 479 OE1 GLN A 31 5.272 -4.753 -1.430 1.00 0.00 O > ATOM 480 NE2 GLN A 31 5.609 -2.764 -2.423 1.00 0.00 N > ATOM 481 H GLN A 31 0.912 -5.828 -3.209 1.00 0.00 H > ATOM 482 HA GLN A 31 2.508 -3.535 -2.539 1.00 0.00 H > ATOM 483 1HB GLN A 31 3.304 -5.890 -2.833 1.00 0.00 H > ATOM 484 2HB GLN A 31 3.086 -5.685 -4.587 1.00 0.00 H > ATOM 485 1HG GLN A 31 5.564 -5.101 -4.242 1.00 0.00 H > ATOM 486 2HG GLN A 31 4.424 -3.741 -4.384 1.00 0.00 H > ATOM 487 1HE2 GLN A 31 5.946 -2.350 -1.577 1.00 0.00 H > ATOM 488 2HE2 GLN A 31 5.559 -2.219 -3.260 1.00 0.00 H > ATOM 489 N GLU A 32 1.442 -3.600 -5.649 1.00 0.00 N > ATOM 490 CA GLU A 32 1.181 -2.716 -6.785 1.00 0.00 C > ATOM 491 C GLU A 32 0.297 -1.523 -6.385 1.00 0.00 C > ATOM 492 O GLU A 32 0.565 -0.393 -6.798 1.00 0.00 O > ATOM 493 CB GLU A 32 0.523 -3.500 -7.924 1.00 0.00 C > ATOM 494 CG GLU A 32 1.448 -4.483 -8.626 1.00 0.00 C > ATOM 495 CD GLU A 32 0.712 -5.276 -9.670 1.00 0.00 C > ATOM 496 OE1 GLU A 32 -0.485 -5.136 -9.761 1.00 0.00 O > ATOM 497 OE2 GLU A 32 1.356 -5.935 -10.451 1.00 0.00 O > ATOM 498 H GLU A 32 1.085 -4.545 -5.668 1.00 0.00 H > ATOM 499 HA GLU A 32 2.118 -2.293 -7.147 1.00 0.00 H > ATOM 500 1HB GLU A 32 -0.320 -4.040 -7.493 1.00 0.00 H > ATOM 501 2HB GLU A 32 0.157 -2.769 -8.644 1.00 0.00 H > ATOM 502 1HG GLU A 32 2.320 -4.012 -9.079 1.00 0.00 H > ATOM 503 2HG GLU A 32 1.770 -5.149 -7.827 1.00 0.00 H > ATOM 504 N ASN A 33 -0.727 -1.756 -5.564 1.00 0.00 N > ATOM 505 CA ASN A 33 -1.591 -0.670 -5.092 1.00 0.00 C > ATOM 506 C ASN A 33 -0.806 0.369 -4.294 1.00 0.00 C > ATOM 507 O ASN A 33 -1.023 1.574 -4.442 1.00 0.00 O > ATOM 508 CB ASN A 33 -2.744 -1.201 -4.259 1.00 0.00 C > ATOM 509 CG ASN A 33 -3.813 -1.880 -5.070 1.00 0.00 C > ATOM 510 OD1 ASN A 33 -3.905 -1.699 -6.290 1.00 0.00 O > ATOM 511 ND2 ASN A 33 -4.670 -2.596 -4.388 1.00 0.00 N > ATOM 512 H ASN A 33 -0.913 -2.701 -5.260 1.00 0.00 H > ATOM 513 HA ASN A 33 -2.019 -0.140 -5.945 1.00 0.00 H > ATOM 514 1HB ASN A 33 -2.558 -1.781 -3.355 1.00 0.00 H > ATOM 515 2HB ASN A 33 -3.090 -0.204 -3.988 1.00 0.00 H > ATOM 516 1HD2 ASN A 33 -5.408 -3.077 -4.863 1.00 0.00 H > ATOM 517 2HD2 ASN A 33 -4.586 -2.662 -3.395 1.00 0.00 H > ATOM 518 N LEU A 34 0.087 -0.119 -3.432 1.00 0.00 N > ATOM 519 CA LEU A 34 0.909 0.742 -2.569 1.00 0.00 C > ATOM 520 C LEU A 34 1.788 1.682 -3.391 1.00 0.00 C > ATOM 521 O LEU A 34 1.845 2.879 -3.110 1.00 0.00 O > ATOM 522 CB LEU A 34 1.775 -0.114 -1.636 1.00 0.00 C > ATOM 523 CG LEU A 34 2.633 0.674 -0.638 1.00 0.00 C > ATOM 524 CD1 LEU A 34 1.739 1.465 0.308 1.00 0.00 C > ATOM 525 CD2 LEU A 34 3.523 -0.286 0.137 1.00 0.00 C > ATOM 526 H LEU A 34 0.198 -1.121 -3.377 1.00 0.00 H > ATOM 527 HA LEU A 34 0.262 1.377 -1.966 1.00 0.00 H > ATOM 528 1HB LEU A 34 0.989 -0.653 -1.110 1.00 0.00 H > ATOM 529 2HB LEU A 34 2.391 -0.821 -2.193 1.00 0.00 H > ATOM 530 HG LEU A 34 3.280 1.334 -1.217 1.00 0.00 H > ATOM 531 1HD1 LEU A 34 2.358 2.021 1.013 1.00 0.00 H > ATOM 532 2HD1 LEU A 34 1.128 2.162 -0.266 1.00 0.00 H > ATOM 533 3HD1 LEU A 34 1.093 0.779 0.855 1.00 0.00 H > ATOM 534 1HD2 LEU A 34 4.133 0.275 0.845 1.00 0.00 H > ATOM 535 2HD2 LEU A 34 2.903 -1.001 0.677 1.00 0.00 H > ATOM 536 3HD2 LEU A 34 4.173 -0.820 -0.556 1.00 0.00 H > ATOM 537 N HIS A 35 2.490 1.137 -4.427 1.00 0.00 N > ATOM 538 CA HIS A 35 3.358 1.950 -5.274 1.00 0.00 C > ATOM 539 C HIS A 35 2.559 2.984 -6.032 1.00 0.00 C > ATOM 540 O HIS A 35 2.990 4.135 -6.166 1.00 0.00 O > ATOM 541 CB HIS A 35 4.142 1.073 -6.257 1.00 0.00 C > ATOM 542 CG HIS A 35 5.219 1.807 -6.992 1.00 0.00 C > ATOM 543 ND1 HIS A 35 6.291 1.168 -7.578 1.00 0.00 N > ATOM 544 CD2 HIS A 35 5.391 3.129 -7.236 1.00 0.00 C > ATOM 545 CE1 HIS A 35 7.074 2.063 -8.151 1.00 0.00 C > ATOM 546 NE2 HIS A 35 6.551 3.259 -7.960 1.00 0.00 N > ATOM 547 H HIS A 35 2.408 0.148 -4.614 1.00 0.00 H > ATOM 548 HA HIS A 35 4.073 2.495 -4.656 1.00 0.00 H > ATOM 549 1HB HIS A 35 4.630 0.256 -5.726 1.00 0.00 H > ATOM 550 2HB HIS A 35 3.470 0.665 -7.012 1.00 0.00 H > ATOM 551 HD1 HIS A 35 6.425 0.179 -7.641 1.00 0.00 H > ATOM 552 HD2 HIS A 35 4.807 4.012 -6.976 1.00 0.00 H > ATOM 553 HE1 HIS A 35 7.981 1.754 -8.672 1.00 0.00 H > ATOM 554 N GLN A 36 1.418 2.575 -6.573 1.00 0.00 N > ATOM 555 CA GLN A 36 0.530 3.490 -7.287 1.00 0.00 C > ATOM 556 C GLN A 36 -0.035 4.590 -6.377 1.00 0.00 C > ATOM 557 O GLN A 36 -0.126 5.751 -6.799 1.00 0.00 O > ATOM 558 CB GLN A 36 -0.623 2.710 -7.923 1.00 0.00 C > ATOM 559 CG GLN A 36 -0.208 1.815 -9.080 1.00 0.00 C > ATOM 560 CD GLN A 36 -1.319 0.880 -9.517 1.00 0.00 C > ATOM 561 OE1 GLN A 36 -2.380 0.818 -8.890 1.00 0.00 O > ATOM 562 NE2 GLN A 36 -1.080 0.144 -10.596 1.00 0.00 N > ATOM 563 H GLN A 36 1.158 1.603 -6.488 1.00 0.00 H > ATOM 564 HA GLN A 36 1.090 4.009 -8.065 1.00 0.00 H > ATOM 565 1HB GLN A 36 -1.069 2.107 -7.133 1.00 0.00 H > ATOM 566 2HB GLN A 36 -1.347 3.446 -8.271 1.00 0.00 H > ATOM 567 1HG GLN A 36 0.280 2.197 -9.976 1.00 0.00 H > ATOM 568 2HG GLN A 36 0.513 1.243 -8.492 1.00 0.00 H > ATOM 569 1HE2 GLN A 36 -1.776 -0.492 -10.933 1.00 0.00 H > ATOM 570 2HE2 GLN A 36 -0.205 0.224 -11.074 1.00 0.00 H > ATOM 571 N LEU A 37 -0.388 4.248 -5.131 1.00 0.00 N > ATOM 572 CA LEU A 37 -0.853 5.253 -4.167 1.00 0.00 C > ATOM 573 C LEU A 37 0.217 6.301 -3.875 1.00 0.00 C > ATOM 574 O LEU A 37 -0.101 7.482 -3.718 1.00 0.00 O > ATOM 575 CB LEU A 37 -1.290 4.571 -2.865 1.00 0.00 C > ATOM 576 CG LEU A 37 -2.611 3.796 -2.946 1.00 0.00 C > ATOM 577 CD1 LEU A 37 -2.760 2.891 -1.730 1.00 0.00 C > ATOM 578 CD2 LEU A 37 -3.772 4.776 -3.033 1.00 0.00 C > ATOM 579 H LEU A 37 -0.335 3.280 -4.847 1.00 0.00 H > ATOM 580 HA LEU A 37 -1.700 5.795 -4.585 1.00 0.00 H > ATOM 581 1HB LEU A 37 -0.458 3.879 -2.740 1.00 0.00 H > ATOM 582 2HB LEU A 37 -1.310 5.270 -2.030 1.00 0.00 H > ATOM 583 HG LEU A 37 -2.593 3.218 -3.870 1.00 0.00 H > ATOM 584 1HD1 LEU A 37 -3.701 2.343 -1.796 1.00 0.00 H > ATOM 585 2HD1 LEU A 37 -1.932 2.183 -1.699 1.00 0.00 H > ATOM 586 3HD1 LEU A 37 -2.754 3.495 -0.824 1.00 0.00 H > ATOM 587 1HD2 LEU A 37 -4.710 4.224 -3.091 1.00 0.00 H > ATOM 588 2HD2 LEU A 37 -3.778 5.412 -2.148 1.00 0.00 H > ATOM 589 3HD2 LEU A 37 -3.660 5.395 -3.924 1.00 0.00 H > ATOM 590 N GLN A 38 1.479 5.880 -3.798 1.00 0.00 N > ATOM 591 CA GLN A 38 2.568 6.827 -3.577 1.00 0.00 C > ATOM 592 C GLN A 38 2.618 7.879 -4.684 1.00 0.00 C > ATOM 593 O GLN A 38 2.860 9.052 -4.399 1.00 0.00 O > ATOM 594 CB GLN A 38 3.909 6.091 -3.501 1.00 0.00 C > ATOM 595 CG GLN A 38 5.065 6.954 -3.024 1.00 0.00 C > ATOM 596 CD GLN A 38 4.930 7.347 -1.565 1.00 0.00 C > ATOM 597 OE1 GLN A 38 4.772 6.491 -0.689 1.00 0.00 O > ATOM 598 NE2 GLN A 38 4.987 8.645 -1.296 1.00 0.00 N > ATOM 599 H GLN A 38 1.692 4.897 -3.892 1.00 0.00 H > ATOM 600 HA GLN A 38 2.401 7.365 -2.646 1.00 0.00 H > ATOM 601 1HB GLN A 38 3.769 5.251 -2.821 1.00 0.00 H > ATOM 602 2HB GLN A 38 4.120 5.715 -4.503 1.00 0.00 H > ATOM 603 1HG GLN A 38 6.108 6.695 -3.206 1.00 0.00 H > ATOM 604 2HG GLN A 38 4.793 7.811 -3.639 1.00 0.00 H > ATOM 605 1HE2 GLN A 38 4.904 8.964 -0.351 1.00 0.00 H > ATOM 606 2HE2 GLN A 38 5.113 9.305 -2.037 1.00 0.00 H > ATOM 607 N HIS A 39 2.372 7.481 -5.959 1.00 0.00 N > ATOM 608 CA HIS A 39 2.362 8.471 -7.033 1.00 0.00 C > ATOM 609 C HIS A 39 1.263 9.485 -6.820 1.00 0.00 C > ATOM 610 O HIS A 39 1.498 10.689 -6.960 1.00 0.00 O > ATOM 611 CB HIS A 39 2.192 7.793 -8.397 1.00 0.00 C > ATOM 612 CG HIS A 39 3.439 7.137 -8.901 1.00 0.00 C > ATOM 613 ND1 HIS A 39 3.676 6.925 -10.244 1.00 0.00 N > ATOM 614 CD2 HIS A 39 4.516 6.646 -8.244 1.00 0.00 C > ATOM 615 CE1 HIS A 39 4.849 6.331 -10.391 1.00 0.00 C > ATOM 616 NE2 HIS A 39 5.377 6.151 -9.194 1.00 0.00 N > ATOM 617 H HIS A 39 2.197 6.511 -6.183 1.00 0.00 H > ATOM 618 HA HIS A 39 3.303 9.021 -7.036 1.00 0.00 H > ATOM 619 1HB HIS A 39 1.431 7.014 -8.337 1.00 0.00 H > ATOM 620 2HB HIS A 39 1.901 8.529 -9.146 1.00 0.00 H > ATOM 621 HD1 HIS A 39 3.107 7.240 -11.002 1.00 0.00 H > ATOM 622 HD2 HIS A 39 4.778 6.589 -7.188 1.00 0.00 H > ATOM 623 HE1 HIS A 39 5.221 6.078 -11.384 1.00 0.00 H > ATOM 624 N GLU A 40 0.051 9.021 -6.530 1.00 0.00 N > ATOM 625 CA GLU A 40 -1.067 9.938 -6.318 1.00 0.00 C > ATOM 626 C GLU A 40 -0.784 10.915 -5.171 1.00 0.00 C > ATOM 627 O GLU A 40 -1.075 12.116 -5.283 1.00 0.00 O > ATOM 628 CB GLU A 40 -2.351 9.155 -6.036 1.00 0.00 C > ATOM 629 CG GLU A 40 -3.607 10.011 -5.965 1.00 0.00 C > ATOM 630 CD GLU A 40 -4.838 9.164 -5.799 1.00 0.00 C > ATOM 631 OE1 GLU A 40 -4.706 7.965 -5.732 1.00 0.00 O > ATOM 632 OE2 GLU A 40 -5.898 9.718 -5.627 1.00 0.00 O > ATOM 633 H GLU A 40 -0.107 8.026 -6.454 1.00 0.00 H > ATOM 634 HA GLU A 40 -1.219 10.549 -7.209 1.00 0.00 H > ATOM 635 1HB GLU A 40 -2.458 8.421 -6.836 1.00 0.00 H > ATOM 636 2HB GLU A 40 -2.208 8.640 -5.087 1.00 0.00 H > ATOM 637 1HG GLU A 40 -3.575 10.762 -5.177 1.00 0.00 H > ATOM 638 2HG GLU A 40 -3.635 10.506 -6.935 1.00 0.00 H > ATOM 639 N TYR A 41 -0.227 10.406 -4.072 1.00 0.00 N > ATOM 640 CA TYR A 41 0.171 11.257 -2.941 1.00 0.00 C > ATOM 641 C TYR A 41 1.225 12.284 -3.370 1.00 0.00 C > ATOM 642 O TYR A 41 1.058 13.489 -3.134 1.00 0.00 O > ATOM 643 CB TYR A 41 0.707 10.405 -1.788 1.00 0.00 C > ATOM 644 CG TYR A 41 1.140 11.208 -0.582 1.00 0.00 C > ATOM 645 CD1 TYR A 41 0.205 11.739 0.294 1.00 0.00 C > ATOM 646 CD2 TYR A 41 2.484 11.432 -0.323 1.00 0.00 C > ATOM 647 CE1 TYR A 41 0.595 12.473 1.397 1.00 0.00 C > ATOM 648 CE2 TYR A 41 2.886 12.163 0.778 1.00 0.00 C > ATOM 649 CZ TYR A 41 1.938 12.683 1.636 1.00 0.00 C > ATOM 650 OH TYR A 41 2.333 13.412 2.734 1.00 0.00 O > ATOM 651 H TYR A 41 -0.075 9.409 -4.015 1.00 0.00 H > ATOM 652 HA TYR A 41 -0.689 11.822 -2.583 1.00 0.00 H > ATOM 653 1HB TYR A 41 -0.087 9.715 -1.501 1.00 0.00 H > ATOM 654 2HB TYR A 41 1.556 9.840 -2.174 1.00 0.00 H > ATOM 655 HD1 TYR A 41 -0.854 11.568 0.099 1.00 0.00 H > ATOM 656 HD2 TYR A 41 3.228 11.020 -1.005 1.00 0.00 H > ATOM 657 HE1 TYR A 41 -0.150 12.884 2.077 1.00 0.00 H > ATOM 658 HE2 TYR A 41 3.947 12.327 0.964 1.00 0.00 H > ATOM 659 HH TYR A 41 3.287 13.502 2.801 1.00 0.00 H > ATOM 660 N ASP A 42 2.300 11.812 -4.002 1.00 0.00 N > ATOM 661 CA ASP A 42 3.397 12.690 -4.428 1.00 0.00 C > ATOM 662 C ASP A 42 2.902 13.818 -5.339 1.00 0.00 C > ATOM 663 O ASP A 42 3.292 14.976 -5.162 1.00 0.00 O > ATOM 664 CB ASP A 42 4.481 11.879 -5.143 1.00 0.00 C > ATOM 665 CG ASP A 42 5.281 10.957 -4.233 1.00 0.00 C > ATOM 666 OD1 ASP A 42 5.169 11.092 -3.038 1.00 0.00 O > ATOM 667 OD2 ASP A 42 5.871 10.030 -4.732 1.00 0.00 O > ATOM 668 H ASP A 42 2.360 10.822 -4.193 1.00 0.00 H > ATOM 669 HA ASP A 42 3.841 13.174 -3.558 1.00 0.00 H > ATOM 670 1HB ASP A 42 4.108 11.312 -5.997 1.00 0.00 H > ATOM 671 2HB ASP A 42 5.123 12.687 -5.495 1.00 0.00 H > ATOM 672 N GLN A 43 2.045 13.484 -6.303 1.00 0.00 N > ATOM 673 CA GLN A 43 1.496 14.489 -7.220 1.00 0.00 C > ATOM 674 C GLN A 43 0.652 15.537 -6.482 1.00 0.00 C > ATOM 675 O GLN A 43 0.712 16.727 -6.811 1.00 0.00 O > ATOM 676 CB GLN A 43 0.646 13.814 -8.300 1.00 0.00 C > ATOM 677 CG GLN A 43 1.448 13.019 -9.317 1.00 0.00 C > ATOM 678 CD GLN A 43 0.566 12.174 -10.216 1.00 0.00 C > ATOM 679 OE1 GLN A 43 -0.647 12.080 -10.009 1.00 0.00 O > ATOM 680 NE2 GLN A 43 1.172 11.548 -11.219 1.00 0.00 N > ATOM 681 H GLN A 43 1.766 12.519 -6.408 1.00 0.00 H > ATOM 682 HA GLN A 43 2.312 15.036 -7.693 1.00 0.00 H > ATOM 683 1HB GLN A 43 -0.052 13.155 -7.785 1.00 0.00 H > ATOM 684 2HB GLN A 43 0.093 14.604 -8.805 1.00 0.00 H > ATOM 685 1HG GLN A 43 2.225 13.468 -9.936 1.00 0.00 H > ATOM 686 2HG GLN A 43 1.909 12.367 -8.574 1.00 0.00 H > ATOM 687 1HE2 GLN A 43 0.642 10.975 -11.846 1.00 0.00 H > ATOM 688 2HE2 GLN A 43 2.159 11.649 -11.349 1.00 0.00 H > ATOM 689 N GLN A 44 -0.110 15.104 -5.479 1.00 0.00 N > ATOM 690 CA GLN A 44 -0.911 16.022 -4.667 1.00 0.00 C > ATOM 691 C GLN A 44 -0.028 16.949 -3.818 1.00 0.00 C > ATOM 692 O GLN A 44 -0.385 18.102 -3.580 1.00 0.00 O > ATOM 693 CB GLN A 44 -1.858 15.236 -3.756 1.00 0.00 C > ATOM 694 CG GLN A 44 -2.863 16.097 -3.009 1.00 0.00 C > ATOM 695 CD GLN A 44 -3.834 16.793 -3.943 1.00 0.00 C > ATOM 696 OE1 GLN A 44 -4.481 16.154 -4.778 1.00 0.00 O > ATOM 697 NE2 GLN A 44 -3.940 18.111 -3.811 1.00 0.00 N > ATOM 698 H GLN A 44 -0.136 14.115 -5.275 1.00 0.00 H > ATOM 699 HA GLN A 44 -1.494 16.672 -5.319 1.00 0.00 H > ATOM 700 1HB GLN A 44 -2.383 14.521 -4.390 1.00 0.00 H > ATOM 701 2HB GLN A 44 -1.233 14.698 -3.043 1.00 0.00 H > ATOM 702 1HG GLN A 44 -3.425 15.736 -2.149 1.00 0.00 H > ATOM 703 2HG GLN A 44 -2.122 16.825 -2.677 1.00 0.00 H > ATOM 704 1HE2 GLN A 44 -4.566 18.624 -4.400 1.00 0.00 H > ATOM 705 2HE2 GLN A 44 -3.396 18.590 -3.123 1.00 0.00 H > ATOM 706 N GLN A 45 1.118 16.438 -3.371 1.00 0.00 N > ATOM 707 CA GLN A 45 2.051 17.201 -2.533 1.00 0.00 C > ATOM 708 C GLN A 45 2.920 18.144 -3.369 1.00 0.00 C > ATOM 709 O GLN A 45 3.335 19.198 -2.889 1.00 0.00 O > ATOM 710 CB GLN A 45 2.947 16.253 -1.732 1.00 0.00 C > ATOM 711 CG GLN A 45 2.207 15.425 -0.696 1.00 0.00 C > ATOM 712 CD GLN A 45 1.595 16.279 0.398 1.00 0.00 C > ATOM 713 OE1 GLN A 45 2.280 17.088 1.030 1.00 0.00 O > ATOM 714 NE2 GLN A 45 0.299 16.101 0.632 1.00 0.00 N > ATOM 715 H GLN A 45 1.348 15.487 -3.624 1.00 0.00 H > ATOM 716 HA GLN A 45 1.490 17.833 -1.845 1.00 0.00 H > ATOM 717 1HB GLN A 45 3.433 15.594 -2.454 1.00 0.00 H > ATOM 718 2HB GLN A 45 3.699 16.870 -1.241 1.00 0.00 H > ATOM 719 1HG GLN A 45 1.483 14.654 -0.963 1.00 0.00 H > ATOM 720 2HG GLN A 45 3.108 14.953 -0.302 1.00 0.00 H > ATOM 721 1HE2 GLN A 45 -0.159 16.637 1.342 1.00 0.00 H > ATOM 722 2HE2 GLN A 45 -0.219 15.433 0.097 1.00 0.00 H > ATOM 723 N THR A 46 3.194 17.755 -4.615 1.00 0.00 N > ATOM 724 CA THR A 46 4.021 18.551 -5.528 1.00 0.00 C > ATOM 725 C THR A 46 3.175 19.528 -6.338 1.00 0.00 C > ATOM 726 O THR A 46 2.232 20.126 -5.824 1.00 0.00 O > ATOM 727 OXT THR A 46 3.427 19.723 -7.495 1.00 0.00 O > ATOM 728 CB THR A 46 4.816 17.657 -6.498 1.00 0.00 C > ATOM 729 OG1 THR A 46 5.710 16.819 -5.754 1.00 0.00 O > ATOM 730 CG2 THR A 46 5.615 18.506 -7.473 1.00 0.00 C > ATOM 731 H THR A 46 2.814 16.876 -4.936 1.00 0.00 H > ATOM 732 HA THR A 46 4.725 19.156 -4.956 1.00 0.00 H > ATOM 733 HB THR A 46 4.120 17.028 -7.052 1.00 0.00 H > ATOM 734 HG1 THR A 46 5.559 16.945 -4.814 1.00 0.00 H > ATOM 735 1HG2 THR A 46 6.170 17.856 -8.150 1.00 0.00 H > ATOM 736 2HG2 THR A 46 4.937 19.135 -8.048 1.00 0.00 H > ATOM 737 3HG2 THR A 46 6.312 19.133 -6.920 1.00 0.00 H 756,1498c750,1490 < ATOM 745 N GLY B 1 10.862 15.079 10.581 1.00 0.00 N < ATOM 746 CA GLY B 1 9.796 14.770 9.590 1.00 0.00 C < ATOM 747 C GLY B 1 10.120 15.187 8.168 1.00 0.00 C < ATOM 748 O GLY B 1 10.498 14.353 7.349 1.00 0.00 O < ATOM 749 1H GLY B 1 10.665 15.682 11.355 1.00 0.00 H < ATOM 750 2H GLY B 1 11.288 14.340 11.104 1.00 0.00 H < ATOM 751 3H GLY B 1 11.706 15.526 10.285 1.00 0.00 H < ATOM 752 1HA GLY B 1 9.619 13.694 9.580 1.00 0.00 H < ATOM 753 2HA GLY B 1 8.881 15.285 9.879 1.00 0.00 H < ATOM 754 N SER B 2 9.970 16.478 7.879 1.00 0.00 N < ATOM 755 CA SER B 2 10.125 17.009 6.519 1.00 0.00 C < ATOM 756 C SER B 2 11.323 16.458 5.734 1.00 0.00 C < ATOM 757 O SER B 2 11.137 15.947 4.634 1.00 0.00 O < ATOM 758 CB SER B 2 10.221 18.521 6.589 1.00 0.00 C < ATOM 759 OG SER B 2 9.024 19.105 7.024 1.00 0.00 O < ATOM 760 H SER B 2 9.740 17.111 8.631 1.00 0.00 H < ATOM 761 HA SER B 2 9.241 16.864 5.895 1.00 0.00 H < ATOM 762 1HB SER B 2 11.018 18.787 7.282 1.00 0.00 H < ATOM 763 2HB SER B 2 10.461 18.901 5.597 1.00 0.00 H < ATOM 764 HG SER B 2 8.374 18.416 7.189 1.00 0.00 H < ATOM 765 N PRO B 3 12.548 16.577 6.276 1.00 0.00 N < ATOM 766 CA PRO B 3 13.714 16.141 5.495 1.00 0.00 C < ATOM 767 C PRO B 3 13.723 14.631 5.193 1.00 0.00 C < ATOM 768 O PRO B 3 14.360 14.203 4.220 1.00 0.00 O < ATOM 769 CB PRO B 3 14.903 16.549 6.372 1.00 0.00 C < ATOM 770 CG PRO B 3 14.337 16.633 7.748 1.00 0.00 C < ATOM 771 CD PRO B 3 12.963 17.223 7.580 1.00 0.00 C < ATOM 772 HA PRO B 3 13.755 16.601 4.497 1.00 0.00 H < ATOM 773 1HB PRO B 3 15.714 15.808 6.320 1.00 0.00 H < ATOM 774 2HB PRO B 3 15.325 17.514 6.055 1.00 0.00 H < ATOM 775 1HG PRO B 3 14.286 15.640 8.219 1.00 0.00 H < ATOM 776 2HG PRO B 3 14.962 17.264 8.397 1.00 0.00 H < ATOM 777 1HD PRO B 3 12.299 16.977 8.421 1.00 0.00 H < ATOM 778 2HD PRO B 3 12.989 18.319 7.501 1.00 0.00 H < ATOM 779 N LEU B 4 13.030 13.842 6.013 1.00 0.00 N < ATOM 780 CA LEU B 4 12.924 12.391 5.795 1.00 0.00 C < ATOM 781 C LEU B 4 11.989 12.073 4.632 1.00 0.00 C < ATOM 782 O LEU B 4 12.298 11.232 3.786 1.00 0.00 O < ATOM 783 CB LEU B 4 12.437 11.694 7.071 1.00 0.00 C < ATOM 784 CG LEU B 4 13.450 11.657 8.223 1.00 0.00 C < ATOM 785 CD1 LEU B 4 12.796 11.091 9.476 1.00 0.00 C < ATOM 786 CD2 LEU B 4 14.653 10.820 7.816 1.00 0.00 C < ATOM 787 H LEU B 4 12.565 14.255 6.809 1.00 0.00 H < ATOM 788 HA LEU B 4 13.900 11.989 5.526 1.00 0.00 H < ATOM 789 1HB LEU B 4 11.606 12.349 7.326 1.00 0.00 H < ATOM 790 2HB LEU B 4 12.059 10.692 6.866 1.00 0.00 H < ATOM 791 HG LEU B 4 13.794 12.679 8.383 1.00 0.00 H < ATOM 792 1HD1 LEU B 4 13.523 11.068 10.288 1.00 0.00 H < ATOM 793 2HD1 LEU B 4 11.953 11.718 9.762 1.00 0.00 H < ATOM 794 3HD1 LEU B 4 12.445 10.078 9.277 1.00 0.00 H < ATOM 795 1HD2 LEU B 4 15.372 10.796 8.635 1.00 0.00 H < ATOM 796 2HD2 LEU B 4 14.330 9.804 7.587 1.00 0.00 H < ATOM 797 3HD2 LEU B 4 15.122 11.258 6.936 1.00 0.00 H < ATOM 798 N LEU B 5 10.835 12.734 4.594 1.00 0.00 N < ATOM 799 CA LEU B 5 9.882 12.529 3.508 1.00 0.00 C < ATOM 800 C LEU B 5 10.452 13.005 2.164 1.00 0.00 C < ATOM 801 O LEU B 5 10.242 12.364 1.137 1.00 0.00 O < ATOM 802 CB LEU B 5 8.567 13.254 3.820 1.00 0.00 C < ATOM 803 CG LEU B 5 7.429 13.001 2.824 1.00 0.00 C < ATOM 804 CD1 LEU B 5 7.094 11.516 2.780 1.00 0.00 C < ATOM 805 CD2 LEU B 5 6.210 13.818 3.225 1.00 0.00 C < ATOM 806 H LEU B 5 10.611 13.391 5.327 1.00 0.00 H < ATOM 807 HA LEU B 5 9.682 11.463 3.394 1.00 0.00 H < ATOM 808 1HB LEU B 5 8.334 12.792 4.779 1.00 0.00 H < ATOM 809 2HB LEU B 5 8.720 14.323 3.960 1.00 0.00 H < ATOM 810 HG LEU B 5 7.764 13.359 1.850 1.00 0.00 H < ATOM 811 1HD1 LEU B 5 6.285 11.344 2.070 1.00 0.00 H < ATOM 812 2HD1 LEU B 5 7.974 10.953 2.468 1.00 0.00 H < ATOM 813 3HD1 LEU B 5 6.783 11.184 3.770 1.00 0.00 H < ATOM 814 1HD2 LEU B 5 5.402 13.636 2.515 1.00 0.00 H < ATOM 815 2HD2 LEU B 5 5.888 13.524 4.224 1.00 0.00 H < ATOM 816 3HD2 LEU B 5 6.465 14.877 3.222 1.00 0.00 H < ATOM 817 N GLN B 6 11.163 14.129 2.175 1.00 0.00 N < ATOM 818 CA GLN B 6 11.801 14.654 0.964 1.00 0.00 C < ATOM 819 C GLN B 6 12.812 13.651 0.400 1.00 0.00 C < ATOM 820 O GLN B 6 12.868 13.424 -0.817 1.00 0.00 O < ATOM 821 CB GLN B 6 12.500 15.985 1.258 1.00 0.00 C < ATOM 822 CG GLN B 6 11.551 17.153 1.466 1.00 0.00 C < ATOM 823 CD GLN B 6 12.272 18.411 1.910 1.00 0.00 C < ATOM 824 OE1 GLN B 6 13.481 18.396 2.160 1.00 0.00 O < ATOM 825 NE2 GLN B 6 11.533 19.511 2.015 1.00 0.00 N < ATOM 826 H GLN B 6 11.265 14.634 3.043 1.00 0.00 H < ATOM 827 HA GLN B 6 11.048 14.808 0.192 1.00 0.00 H < ATOM 828 1HB GLN B 6 13.101 15.833 2.154 1.00 0.00 H < ATOM 829 2HB GLN B 6 13.154 16.190 0.411 1.00 0.00 H < ATOM 830 1HG GLN B 6 10.798 17.439 0.732 1.00 0.00 H < ATOM 831 2HG GLN B 6 11.060 16.712 2.335 1.00 0.00 H < ATOM 832 1HE2 GLN B 6 11.954 20.371 2.304 1.00 0.00 H < ATOM 833 2HE2 GLN B 6 10.556 19.479 1.804 1.00 0.00 H < ATOM 834 N GLN B 7 13.605 13.054 1.288 1.00 0.00 N < ATOM 835 CA GLN B 7 14.594 12.038 0.902 1.00 0.00 C < ATOM 836 C GLN B 7 13.909 10.776 0.395 1.00 0.00 C < ATOM 837 O GLN B 7 14.364 10.160 -0.573 1.00 0.00 O < ATOM 838 CB GLN B 7 15.503 11.691 2.084 1.00 0.00 C < ATOM 839 CG GLN B 7 16.654 10.764 1.731 1.00 0.00 C < ATOM 840 CD GLN B 7 17.656 11.414 0.796 1.00 0.00 C < ATOM 841 OE1 GLN B 7 18.078 12.554 1.011 1.00 0.00 O < ATOM 842 NE2 GLN B 7 18.039 10.695 -0.252 1.00 0.00 N < ATOM 843 H GLN B 7 13.519 13.312 2.260 1.00 0.00 H < ATOM 844 HA GLN B 7 15.204 12.416 0.081 1.00 0.00 H < ATOM 845 1HB GLN B 7 15.892 12.633 2.470 1.00 0.00 H < ATOM 846 2HB GLN B 7 14.873 11.222 2.839 1.00 0.00 H < ATOM 847 1HG GLN B 7 17.213 10.204 2.481 1.00 0.00 H < ATOM 848 2HG GLN B 7 16.037 10.076 1.151 1.00 0.00 H < ATOM 849 1HE2 GLN B 7 18.697 11.071 -0.904 1.00 0.00 H < ATOM 850 2HE2 GLN B 7 17.670 9.775 -0.390 1.00 0.00 H < ATOM 851 N ILE B 8 12.818 10.391 1.052 1.00 0.00 N < ATOM 852 CA ILE B 8 11.989 9.265 0.615 1.00 0.00 C < ATOM 853 C ILE B 8 11.431 9.487 -0.800 1.00 0.00 C < ATOM 854 O ILE B 8 11.466 8.568 -1.630 1.00 0.00 O < ATOM 855 CB ILE B 8 10.819 9.022 1.586 1.00 0.00 C < ATOM 856 CG1 ILE B 8 11.328 8.406 2.892 1.00 0.00 C < ATOM 857 CG2 ILE B 8 9.772 8.124 0.944 1.00 0.00 C < ATOM 858 CD1 ILE B 8 10.307 8.410 4.007 1.00 0.00 C < ATOM 859 H ILE B 8 12.557 10.900 1.884 1.00 0.00 H < ATOM 860 HA ILE B 8 12.587 8.358 0.531 1.00 0.00 H < ATOM 861 HB ILE B 8 10.368 9.978 1.845 1.00 0.00 H < ATOM 862 1HG1 ILE B 8 11.625 7.380 2.673 1.00 0.00 H < ATOM 863 2HG1 ILE B 8 12.204 8.978 3.200 1.00 0.00 H < ATOM 864 1HG2 ILE B 8 8.953 7.962 1.644 1.00 0.00 H < ATOM 865 2HG2 ILE B 8 9.390 8.599 0.042 1.00 0.00 H < ATOM 866 3HG2 ILE B 8 10.224 7.165 0.685 1.00 0.00 H < ATOM 867 1HD1 ILE B 8 10.740 7.958 4.900 1.00 0.00 H < ATOM 868 2HD1 ILE B 8 10.010 9.436 4.228 1.00 0.00 H < ATOM 869 3HD1 ILE B 8 9.432 7.837 3.702 1.00 0.00 H < ATOM 870 N HIS B 9 10.930 10.693 -1.081 1.00 0.00 N < ATOM 871 CA HIS B 9 10.425 11.023 -2.424 1.00 0.00 C < ATOM 872 C HIS B 9 11.553 10.952 -3.458 1.00 0.00 C < ATOM 873 O HIS B 9 11.361 10.488 -4.586 1.00 0.00 O < ATOM 874 CB HIS B 9 9.792 12.418 -2.444 1.00 0.00 C < ATOM 875 CG HIS B 9 8.431 12.470 -1.821 1.00 0.00 C < ATOM 876 ND1 HIS B 9 7.798 13.657 -1.517 1.00 0.00 N < ATOM 877 CD2 HIS B 9 7.584 11.484 -1.445 1.00 0.00 C < ATOM 878 CE1 HIS B 9 6.618 13.397 -0.981 1.00 0.00 C < ATOM 879 NE2 HIS B 9 6.465 12.087 -0.926 1.00 0.00 N < ATOM 880 H HIS B 9 10.898 11.395 -0.357 1.00 0.00 H < ATOM 881 HA HIS B 9 9.674 10.290 -2.723 1.00 0.00 H < ATOM 882 1HB HIS B 9 10.438 13.118 -1.913 1.00 0.00 H < ATOM 883 2HB HIS B 9 9.709 12.765 -3.474 1.00 0.00 H < ATOM 884 HD2 HIS B 9 7.758 10.411 -1.536 1.00 0.00 H < ATOM 885 HE1 HIS B 9 5.895 14.138 -0.642 1.00 0.00 H < ATOM 886 HE2 HIS B 9 5.658 11.601 -0.562 1.00 0.00 H < ATOM 887 N ASN B 10 12.720 11.451 -3.070 1.00 0.00 N < ATOM 888 CA ASN B 10 13.891 11.425 -3.939 1.00 0.00 C < ATOM 889 C ASN B 10 14.345 10.008 -4.280 1.00 0.00 C < ATOM 890 O ASN B 10 14.596 9.719 -5.449 1.00 0.00 O < ATOM 891 CB ASN B 10 15.040 12.201 -3.323 1.00 0.00 C < ATOM 892 CG ASN B 10 14.846 13.692 -3.343 1.00 0.00 C < ATOM 893 OD1 ASN B 10 14.049 14.223 -4.125 1.00 0.00 O < ATOM 894 ND2 ASN B 10 15.626 14.374 -2.544 1.00 0.00 N < ATOM 895 H ASN B 10 12.800 11.858 -2.149 1.00 0.00 H < ATOM 896 HA ASN B 10 13.651 11.890 -4.896 1.00 0.00 H < ATOM 897 1HB ASN B 10 15.458 11.908 -2.358 1.00 0.00 H < ATOM 898 2HB ASN B 10 15.735 11.926 -4.117 1.00 0.00 H < ATOM 899 1HD2 ASN B 10 15.552 15.370 -2.505 1.00 0.00 H < ATOM 900 2HD2 ASN B 10 16.295 13.899 -1.974 1.00 0.00 H < ATOM 901 N ILE B 11 14.445 9.121 -3.287 1.00 0.00 N < ATOM 902 CA ILE B 11 14.896 7.748 -3.565 1.00 0.00 C < ATOM 903 C ILE B 11 13.880 7.034 -4.457 1.00 0.00 C < ATOM 904 O ILE B 11 14.249 6.348 -5.414 1.00 0.00 O < ATOM 905 CB ILE B 11 15.098 6.934 -2.273 1.00 0.00 C < ATOM 906 CG1 ILE B 11 16.228 7.536 -1.435 1.00 0.00 C < ATOM 907 CG2 ILE B 11 15.392 5.479 -2.601 1.00 0.00 C < ATOM 908 CD1 ILE B 11 17.568 7.549 -2.134 1.00 0.00 C < ATOM 909 H ILE B 11 14.214 9.380 -2.340 1.00 0.00 H < ATOM 910 HA ILE B 11 15.827 7.756 -4.131 1.00 0.00 H < ATOM 911 HB ILE B 11 14.193 6.995 -1.670 1.00 0.00 H < ATOM 912 1HG1 ILE B 11 15.939 8.556 -1.185 1.00 0.00 H < ATOM 913 2HG1 ILE B 11 16.303 6.946 -0.521 1.00 0.00 H < ATOM 914 1HG2 ILE B 11 15.532 4.918 -1.677 1.00 0.00 H < ATOM 915 2HG2 ILE B 11 14.557 5.056 -3.159 1.00 0.00 H < ATOM 916 3HG2 ILE B 11 16.299 5.417 -3.204 1.00 0.00 H < ATOM 917 1HD1 ILE B 11 18.318 7.989 -1.477 1.00 0.00 H < ATOM 918 2HD1 ILE B 11 17.860 6.528 -2.384 1.00 0.00 H < ATOM 919 3HD1 ILE B 11 17.497 8.138 -3.048 1.00 0.00 H < ATOM 920 N HIS B 12 12.568 7.204 -4.164 1.00 0.00 N < ATOM 921 CA HIS B 12 11.528 6.625 -5.010 1.00 0.00 C < ATOM 922 C HIS B 12 11.683 7.078 -6.443 1.00 0.00 C < ATOM 923 O HIS B 12 11.618 6.253 -7.372 1.00 0.00 O < ATOM 924 CB HIS B 12 10.132 6.995 -4.499 1.00 0.00 C < ATOM 925 CG HIS B 12 9.067 6.908 -5.545 1.00 0.00 C < ATOM 926 ND1 HIS B 12 8.652 8.000 -6.281 1.00 0.00 N < ATOM 927 CD2 HIS B 12 8.330 5.860 -5.982 1.00 0.00 C < ATOM 928 CE1 HIS B 12 7.705 7.627 -7.122 1.00 0.00 C < ATOM 929 NE2 HIS B 12 7.491 6.332 -6.961 1.00 0.00 N < ATOM 930 H HIS B 12 12.299 7.736 -3.350 1.00 0.00 H < ATOM 931 HA HIS B 12 11.617 5.538 -5.014 1.00 0.00 H < ATOM 932 1HB HIS B 12 9.836 6.321 -3.695 1.00 0.00 H < ATOM 933 2HB HIS B 12 10.127 8.020 -4.132 1.00 0.00 H < ATOM 934 HD1 HIS B 12 9.051 8.917 -6.251 1.00 0.00 H < ATOM 935 HD2 HIS B 12 8.302 4.806 -5.704 1.00 0.00 H < ATOM 936 HE1 HIS B 12 7.244 8.350 -7.794 1.00 0.00 H < ATOM 937 N SER B 13 11.842 8.380 -6.665 1.00 0.00 N < ATOM 938 CA SER B 13 12.060 8.917 -8.016 1.00 0.00 C < ATOM 939 C SER B 13 13.324 8.352 -8.665 1.00 0.00 C < ATOM 940 O SER B 13 13.314 8.020 -9.851 1.00 0.00 O < ATOM 941 CB SER B 13 12.135 10.430 -7.965 1.00 0.00 C < ATOM 942 OG SER B 13 10.910 11.007 -7.604 1.00 0.00 O < ATOM 943 H SER B 13 11.811 9.016 -5.882 1.00 0.00 H < ATOM 944 HA SER B 13 11.213 8.762 -8.685 1.00 0.00 H < ATOM 945 1HB SER B 13 12.891 10.716 -7.234 1.00 0.00 H < ATOM 946 2HB SER B 13 12.424 10.799 -8.948 1.00 0.00 H < ATOM 947 HG SER B 13 10.263 10.313 -7.452 1.00 0.00 H < ATOM 948 N PHE B 14 14.408 8.235 -7.900 1.00 0.00 N < ATOM 949 CA PHE B 14 15.655 7.657 -8.427 1.00 0.00 C < ATOM 950 C PHE B 14 15.468 6.200 -8.880 1.00 0.00 C < ATOM 951 O PHE B 14 16.046 5.783 -9.883 1.00 0.00 O < ATOM 952 CB PHE B 14 16.762 7.738 -7.375 1.00 0.00 C < ATOM 953 CG PHE B 14 17.186 9.142 -7.049 1.00 0.00 C < ATOM 954 CD1 PHE B 14 16.871 10.192 -7.898 1.00 0.00 C < ATOM 955 CD2 PHE B 14 17.903 9.415 -5.894 1.00 0.00 C < ATOM 956 CE1 PHE B 14 17.261 11.484 -7.600 1.00 0.00 C < ATOM 957 CE2 PHE B 14 18.294 10.705 -5.592 1.00 0.00 C < ATOM 958 CZ PHE B 14 17.973 11.741 -6.447 1.00 0.00 C < ATOM 959 H PHE B 14 14.378 8.548 -6.941 1.00 0.00 H < ATOM 960 HA PHE B 14 15.973 8.208 -9.314 1.00 0.00 H < ATOM 961 1HB PHE B 14 16.426 7.289 -6.441 1.00 0.00 H < ATOM 962 2HB PHE B 14 17.652 7.217 -7.726 1.00 0.00 H < ATOM 963 HD1 PHE B 14 16.308 9.988 -8.810 1.00 0.00 H < ATOM 964 HD2 PHE B 14 18.158 8.596 -5.219 1.00 0.00 H < ATOM 965 HE1 PHE B 14 17.006 12.299 -8.276 1.00 0.00 H < ATOM 966 HE2 PHE B 14 18.856 10.906 -4.680 1.00 0.00 H < ATOM 967 HZ PHE B 14 18.283 12.758 -6.211 1.00 0.00 H < ATOM 968 N ILE B 15 14.686 5.419 -8.137 1.00 0.00 N < ATOM 969 CA ILE B 15 14.413 4.027 -8.517 1.00 0.00 C < ATOM 970 C ILE B 15 13.720 3.962 -9.893 1.00 0.00 C < ATOM 971 O ILE B 15 14.088 3.142 -10.739 1.00 0.00 O < ATOM 972 CB ILE B 15 13.536 3.330 -7.461 1.00 0.00 C < ATOM 973 CG1 ILE B 15 14.322 3.128 -6.163 1.00 0.00 C < ATOM 974 CG2 ILE B 15 13.023 1.999 -7.989 1.00 0.00 C < ATOM 975 CD1 ILE B 15 13.464 2.726 -4.985 1.00 0.00 C < ATOM 976 H ILE B 15 14.271 5.789 -7.295 1.00 0.00 H < ATOM 977 HA ILE B 15 15.343 3.474 -8.645 1.00 0.00 H < ATOM 978 HB ILE B 15 12.685 3.965 -7.218 1.00 0.00 H < ATOM 979 1HG1 ILE B 15 15.079 2.359 -6.312 1.00 0.00 H < ATOM 980 2HG1 ILE B 15 14.842 4.051 -5.905 1.00 0.00 H < ATOM 981 1HG2 ILE B 15 12.406 1.519 -7.229 1.00 0.00 H < ATOM 982 2HG2 ILE B 15 12.429 2.168 -8.886 1.00 0.00 H < ATOM 983 3HG2 ILE B 15 13.868 1.353 -8.230 1.00 0.00 H < ATOM 984 1HD1 ILE B 15 14.092 2.602 -4.103 1.00 0.00 H < ATOM 985 2HD1 ILE B 15 12.720 3.501 -4.795 1.00 0.00 H < ATOM 986 3HD1 ILE B 15 12.961 1.786 -5.206 1.00 0.00 H < ATOM 987 N HIS B 16 12.707 4.840 -10.133 1.00 0.00 N < ATOM 988 CA HIS B 16 12.029 4.867 -11.425 1.00 0.00 C < ATOM 989 C HIS B 16 13.010 5.127 -12.544 1.00 0.00 C < ATOM 990 O HIS B 16 12.909 4.526 -13.618 1.00 0.00 O < ATOM 991 CB HIS B 16 10.925 5.929 -11.438 1.00 0.00 C < ATOM 992 CG HIS B 16 9.599 5.424 -10.960 1.00 0.00 C < ATOM 993 ND1 HIS B 16 8.912 4.415 -11.601 1.00 0.00 N < ATOM 994 CD2 HIS B 16 8.833 5.791 -9.905 1.00 0.00 C < ATOM 995 CE1 HIS B 16 7.782 4.180 -10.960 1.00 0.00 C < ATOM 996 NE2 HIS B 16 7.709 5.002 -9.927 1.00 0.00 N < ATOM 997 H HIS B 16 12.416 5.484 -9.412 1.00 0.00 H < ATOM 998 HA HIS B 16 11.575 3.895 -11.624 1.00 0.00 H < ATOM 999 1HB HIS B 16 11.196 6.761 -10.786 1.00 0.00 H < ATOM 1000 2HB HIS B 16 10.772 6.298 -12.452 1.00 0.00 H < ATOM 1001 HD1 HIS B 16 9.242 3.875 -12.377 1.00 0.00 H < ATOM 1002 HD2 HIS B 16 8.959 6.538 -9.123 1.00 0.00 H < ATOM 1003 HE1 HIS B 16 7.094 3.412 -11.310 1.00 0.00 H < ATOM 1004 N GLN B 17 13.929 6.055 -12.322 1.00 0.00 N < ATOM 1005 CA GLN B 17 14.960 6.345 -13.312 1.00 0.00 C < ATOM 1006 C GLN B 17 15.904 5.156 -13.522 1.00 0.00 C < ATOM 1007 O GLN B 17 16.217 4.801 -14.671 1.00 0.00 O < ATOM 1008 CB GLN B 17 15.766 7.576 -12.888 1.00 0.00 C < ATOM 1009 CG GLN B 17 14.993 8.881 -12.957 1.00 0.00 C < ATOM 1010 CD GLN B 17 15.781 10.051 -12.397 1.00 0.00 C < ATOM 1011 OE1 GLN B 17 16.878 9.879 -11.859 1.00 0.00 O < ATOM 1012 NE2 GLN B 17 15.223 11.250 -12.518 1.00 0.00 N < ATOM 1013 H GLN B 17 13.921 6.571 -11.453 1.00 0.00 H < ATOM 1014 HA GLN B 17 14.495 6.532 -14.279 1.00 0.00 H < ATOM 1015 1HB GLN B 17 16.099 7.397 -11.866 1.00 0.00 H < ATOM 1016 2HB GLN B 17 16.633 7.626 -13.548 1.00 0.00 H < ATOM 1017 1HG GLN B 17 14.487 9.219 -13.861 1.00 0.00 H < ATOM 1018 2HG GLN B 17 14.250 8.579 -12.218 1.00 0.00 H < ATOM 1019 1HE2 GLN B 17 15.696 12.059 -12.167 1.00 0.00 H < ATOM 1020 2HE2 GLN B 17 14.332 11.345 -12.959 1.00 0.00 H < ATOM 1021 N ALA B 18 16.355 4.543 -12.424 1.00 0.00 N < ATOM 1022 CA ALA B 18 17.231 3.365 -12.488 1.00 0.00 C < ATOM 1023 C ALA B 18 16.564 2.196 -13.219 1.00 0.00 C < ATOM 1024 O ALA B 18 17.213 1.472 -13.985 1.00 0.00 O < ATOM 1025 CB ALA B 18 17.649 2.943 -11.087 1.00 0.00 C < ATOM 1026 H ALA B 18 16.082 4.904 -11.522 1.00 0.00 H < ATOM 1027 HA ALA B 18 18.125 3.624 -13.055 1.00 0.00 H < ATOM 1028 1HB ALA B 18 18.298 2.069 -11.149 1.00 0.00 H < ATOM 1029 2HB ALA B 18 18.186 3.759 -10.605 1.00 0.00 H < ATOM 1030 3HB ALA B 18 16.764 2.695 -10.503 1.00 0.00 H < ATOM 1031 N LYS B 19 15.267 2.003 -12.989 1.00 0.00 N < ATOM 1032 CA LYS B 19 14.526 0.947 -13.679 1.00 0.00 C < ATOM 1033 C LYS B 19 14.459 1.237 -15.187 1.00 0.00 C < ATOM 1034 O LYS B 19 14.731 0.347 -16.000 1.00 0.00 O < ATOM 1035 CB LYS B 19 13.116 0.810 -13.100 1.00 0.00 C < ATOM 1036 CG LYS B 19 13.063 0.145 -11.730 1.00 0.00 C < ATOM 1037 CD LYS B 19 11.641 0.110 -11.188 1.00 0.00 C < ATOM 1038 CE LYS B 19 10.755 -0.811 -12.015 1.00 0.00 C < ATOM 1039 NZ LYS B 19 9.380 -0.912 -11.453 1.00 0.00 N < ATOM 1040 H LYS B 19 14.782 2.592 -12.327 1.00 0.00 H < ATOM 1041 HA LYS B 19 15.043 -0.006 -13.560 1.00 0.00 H < ATOM 1042 1HB LYS B 19 12.700 1.815 -13.032 1.00 0.00 H < ATOM 1043 2HB LYS B 19 12.534 0.223 -13.811 1.00 0.00 H < ATOM 1044 1HG LYS B 19 13.442 -0.874 -11.824 1.00 0.00 H < ATOM 1045 2HG LYS B 19 13.699 0.706 -11.047 1.00 0.00 H < ATOM 1046 1HD LYS B 19 11.671 -0.243 -10.157 1.00 0.00 H < ATOM 1047 2HD LYS B 19 11.235 1.121 -11.214 1.00 0.00 H < ATOM 1048 1HE LYS B 19 10.706 -0.419 -13.029 1.00 0.00 H < ATOM 1049 2HE LYS B 19 11.214 -1.801 -12.031 1.00 0.00 H < ATOM 1050 1HZ LYS B 19 8.827 -1.531 -12.028 1.00 0.00 H < ATOM 1051 2HZ LYS B 19 9.427 -1.277 -10.512 1.00 0.00 H < ATOM 1052 3HZ LYS B 19 8.956 0.004 -11.438 1.00 0.00 H < ATOM 1053 N ALA B 20 14.121 2.474 -15.550 1.00 0.00 N < ATOM 1054 CA ALA B 20 14.057 2.889 -16.960 1.00 0.00 C < ATOM 1055 C ALA B 20 15.390 2.709 -17.691 1.00 0.00 C < ATOM 1056 O ALA B 20 15.405 2.359 -18.878 1.00 0.00 O < ATOM 1057 CB ALA B 20 13.601 4.336 -17.057 1.00 0.00 C < ATOM 1058 H ALA B 20 13.903 3.147 -14.829 1.00 0.00 H < ATOM 1059 HA ALA B 20 13.335 2.257 -17.477 1.00 0.00 H < ATOM 1060 1HB ALA B 20 13.556 4.633 -18.104 1.00 0.00 H < ATOM 1061 2HB ALA B 20 12.612 4.437 -16.610 1.00 0.00 H < ATOM 1062 3HB ALA B 20 14.306 4.975 -16.529 1.00 0.00 H < ATOM 1063 N ALA B 21 16.494 2.951 -16.982 1.00 0.00 N < ATOM 1064 CA ALA B 21 17.847 2.791 -17.531 1.00 0.00 C < ATOM 1065 C ALA B 21 18.353 1.344 -17.478 1.00 0.00 C < ATOM 1066 O ALA B 21 19.451 1.057 -17.957 1.00 0.00 O < ATOM 1067 CB ALA B 21 18.814 3.708 -16.796 1.00 0.00 C < ATOM 1068 H ALA B 21 16.385 3.256 -16.025 1.00 0.00 H < ATOM 1069 HA ALA B 21 17.831 3.067 -18.585 1.00 0.00 H < ATOM 1070 1HB ALA B 21 19.816 3.584 -17.208 1.00 0.00 H < ATOM 1071 2HB ALA B 21 18.498 4.744 -16.917 1.00 0.00 H < ATOM 1072 3HB ALA B 21 18.824 3.453 -15.738 1.00 0.00 H < ATOM 1073 N GLY B 22 17.570 0.435 -16.903 1.00 0.00 N < ATOM 1074 CA GLY B 22 17.984 -0.961 -16.752 1.00 0.00 C < ATOM 1075 C GLY B 22 19.113 -1.182 -15.758 1.00 0.00 C < ATOM 1076 O GLY B 22 19.859 -2.151 -15.880 1.00 0.00 O < ATOM 1077 H GLY B 22 16.663 0.719 -16.561 1.00 0.00 H < ATOM 1078 1HA GLY B 22 17.133 -1.552 -16.411 1.00 0.00 H < ATOM 1079 2HA GLY B 22 18.323 -1.339 -17.716 1.00 0.00 H < ATOM 1080 N ARG B 23 19.228 -0.294 -14.771 1.00 0.00 N < ATOM 1081 CA ARG B 23 20.322 -0.350 -13.791 1.00 0.00 C < ATOM 1082 C ARG B 23 19.878 -1.102 -12.530 1.00 0.00 C < ATOM 1083 O ARG B 23 19.594 -0.480 -11.498 1.00 0.00 O < ATOM 1084 CB ARG B 23 20.871 1.029 -13.456 1.00 0.00 C < ATOM 1085 CG ARG B 23 21.446 1.792 -14.640 1.00 0.00 C < ATOM 1086 CD ARG B 23 21.787 3.209 -14.348 1.00 0.00 C < ATOM 1087 NE ARG B 23 22.942 3.384 -13.482 1.00 0.00 N < ATOM 1088 CZ ARG B 23 23.281 4.544 -12.886 1.00 0.00 C < ATOM 1089 NH1 ARG B 23 22.584 5.639 -13.088 1.00 0.00 N < ATOM 1090 NH2 ARG B 23 24.353 4.556 -12.110 1.00 0.00 N < ATOM 1091 H ARG B 23 18.538 0.439 -14.697 1.00 0.00 H < ATOM 1092 HA ARG B 23 21.165 -0.901 -14.210 1.00 0.00 H < ATOM 1093 1HB ARG B 23 20.052 1.601 -13.023 1.00 0.00 H < ATOM 1094 2HB ARG B 23 21.651 0.887 -12.708 1.00 0.00 H < ATOM 1095 1HG ARG B 23 22.356 1.289 -14.969 1.00 0.00 H < ATOM 1096 2HG ARG B 23 20.714 1.781 -15.448 1.00 0.00 H < ATOM 1097 1HD ARG B 23 22.000 3.722 -15.284 1.00 0.00 H < ATOM 1098 2HD ARG B 23 20.937 3.682 -13.859 1.00 0.00 H < ATOM 1099 HE ARG B 23 23.641 2.711 -13.197 1.00 0.00 H < ATOM 1100 1HH1 ARG B 23 21.780 5.616 -13.698 1.00 0.00 H < ATOM 1101 2HH1 ARG B 23 22.857 6.498 -12.632 1.00 0.00 H < ATOM 1102 1HH2 ARG B 23 24.889 3.708 -11.980 1.00 0.00 H < ATOM 1103 2HH2 ARG B 23 24.631 5.411 -11.651 1.00 0.00 H < ATOM 1104 N MET B 24 19.839 -2.431 -12.616 1.00 0.00 N < ATOM 1105 CA MET B 24 19.337 -3.279 -11.527 1.00 0.00 C < ATOM 1106 C MET B 24 20.140 -3.174 -10.222 1.00 0.00 C < ATOM 1107 O MET B 24 19.562 -3.280 -9.136 1.00 0.00 O < ATOM 1108 CB MET B 24 19.309 -4.733 -11.993 1.00 0.00 C < ATOM 1109 CG MET B 24 18.248 -5.039 -13.041 1.00 0.00 C < ATOM 1110 SD MET B 24 16.573 -4.734 -12.445 1.00 0.00 S < ATOM 1111 CE MET B 24 16.413 -6.022 -11.212 1.00 0.00 C < ATOM 1112 H MET B 24 20.169 -2.867 -13.467 1.00 0.00 H < ATOM 1113 HA MET B 24 18.328 -2.973 -11.252 1.00 0.00 H < ATOM 1114 1HB MET B 24 20.295 -4.956 -12.398 1.00 0.00 H < ATOM 1115 2HB MET B 24 19.131 -5.347 -11.109 1.00 0.00 H < ATOM 1116 1HG MET B 24 18.439 -4.411 -13.910 1.00 0.00 H < ATOM 1117 2HG MET B 24 18.342 -6.088 -13.323 1.00 0.00 H < ATOM 1118 1HE MET B 24 15.427 -5.965 -10.751 1.00 0.00 H < ATOM 1119 2HE MET B 24 16.538 -6.997 -11.685 1.00 0.00 H < ATOM 1120 3HE MET B 24 17.179 -5.891 -10.446 1.00 0.00 H < ATOM 1121 N ASP B 25 21.455 -2.980 -10.317 1.00 0.00 N < ATOM 1122 CA ASP B 25 22.269 -2.820 -9.112 1.00 0.00 C < ATOM 1123 C ASP B 25 21.840 -1.575 -8.338 1.00 0.00 C < ATOM 1124 O ASP B 25 21.767 -1.595 -7.103 1.00 0.00 O < ATOM 1125 CB ASP B 25 23.755 -2.737 -9.469 1.00 0.00 C < ATOM 1126 CG ASP B 25 24.368 -4.054 -9.924 1.00 0.00 C < ATOM 1127 OD1 ASP B 25 23.742 -5.072 -9.744 1.00 0.00 O < ATOM 1128 OD2 ASP B 25 25.378 -4.019 -10.586 1.00 0.00 O < ATOM 1129 H ASP B 25 21.903 -2.942 -11.221 1.00 0.00 H < ATOM 1130 HA ASP B 25 22.120 -3.674 -8.450 1.00 0.00 H < ATOM 1131 1HB ASP B 25 23.984 -1.960 -10.199 1.00 0.00 H < ATOM 1132 2HB ASP B 25 24.170 -2.460 -8.500 1.00 0.00 H < ATOM 1133 N GLU B 26 21.542 -0.505 -9.076 1.00 0.00 N < ATOM 1134 CA GLU B 26 21.077 0.764 -8.496 1.00 0.00 C < ATOM 1135 C GLU B 26 19.651 0.642 -7.965 1.00 0.00 C < ATOM 1136 O GLU B 26 19.315 1.199 -6.918 1.00 0.00 O < ATOM 1137 CB GLU B 26 21.154 1.890 -9.530 1.00 0.00 C < ATOM 1138 CG GLU B 26 22.570 2.319 -9.887 1.00 0.00 C < ATOM 1139 CD GLU B 26 23.301 2.847 -8.684 1.00 0.00 C < ATOM 1140 OE1 GLU B 26 22.785 3.729 -8.039 1.00 0.00 O < ATOM 1141 OE2 GLU B 26 24.320 2.294 -8.342 1.00 0.00 O < ATOM 1142 H GLU B 26 21.643 -0.582 -10.078 1.00 0.00 H < ATOM 1143 HA GLU B 26 21.703 1.032 -7.644 1.00 0.00 H < ATOM 1144 1HB GLU B 26 20.647 1.534 -10.427 1.00 0.00 H < ATOM 1145 2HB GLU B 26 20.611 2.739 -9.117 1.00 0.00 H < ATOM 1146 1HG GLU B 26 23.159 1.527 -10.351 1.00 0.00 H < ATOM 1147 2HG GLU B 26 22.420 3.125 -10.603 1.00 0.00 H < ATOM 1148 N VAL B 27 18.802 -0.074 -8.695 1.00 0.00 N < ATOM 1149 CA VAL B 27 17.436 -0.312 -8.227 1.00 0.00 C < ATOM 1150 C VAL B 27 17.431 -1.078 -6.896 1.00 0.00 C < ATOM 1151 O VAL B 27 16.690 -0.708 -5.989 1.00 0.00 O < ATOM 1152 CB VAL B 27 16.613 -1.096 -9.265 1.00 0.00 C < ATOM 1153 CG1 VAL B 27 15.323 -1.610 -8.645 1.00 0.00 C < ATOM 1154 CG2 VAL B 27 16.311 -0.225 -10.475 1.00 0.00 C < ATOM 1155 H VAL B 27 19.093 -0.463 -9.581 1.00 0.00 H < ATOM 1156 HA VAL B 27 16.923 0.625 -8.010 1.00 0.00 H < ATOM 1157 HB VAL B 27 17.205 -1.940 -9.622 1.00 0.00 H < ATOM 1158 1HG1 VAL B 27 14.754 -2.163 -9.394 1.00 0.00 H < ATOM 1159 2HG1 VAL B 27 15.558 -2.271 -7.810 1.00 0.00 H < ATOM 1160 3HG1 VAL B 27 14.731 -0.768 -8.288 1.00 0.00 H < ATOM 1161 1HG2 VAL B 27 15.730 -0.795 -11.199 1.00 0.00 H < ATOM 1162 2HG2 VAL B 27 15.742 0.650 -10.159 1.00 0.00 H < ATOM 1163 3HG2 VAL B 27 17.246 0.097 -10.934 1.00 0.00 H < ATOM 1164 N ARG B 28 18.244 -2.131 -6.767 1.00 0.00 N < ATOM 1165 CA ARG B 28 18.300 -2.889 -5.502 1.00 0.00 C < ATOM 1166 C ARG B 28 18.852 -2.086 -4.324 1.00 0.00 C < ATOM 1167 O ARG B 28 18.283 -2.134 -3.231 1.00 0.00 O < ATOM 1168 CB ARG B 28 19.068 -4.192 -5.665 1.00 0.00 C < ATOM 1169 CG ARG B 28 18.359 -5.252 -6.495 1.00 0.00 C < ATOM 1170 CD ARG B 28 19.161 -6.479 -6.733 1.00 0.00 C < ATOM 1171 NE ARG B 28 18.482 -7.500 -7.515 1.00 0.00 N < ATOM 1172 CZ ARG B 28 19.050 -8.647 -7.934 1.00 0.00 C < ATOM 1173 NH1 ARG B 28 20.315 -8.908 -7.684 1.00 0.00 N < ATOM 1174 NH2 ARG B 28 18.309 -9.496 -8.626 1.00 0.00 N < ATOM 1175 H ARG B 28 18.829 -2.417 -7.539 1.00 0.00 H < ATOM 1176 HA ARG B 28 17.292 -3.177 -5.199 1.00 0.00 H < ATOM 1177 1HB ARG B 28 20.019 -3.945 -6.134 1.00 0.00 H < ATOM 1178 2HB ARG B 28 19.248 -4.583 -4.663 1.00 0.00 H < ATOM 1179 1HG ARG B 28 17.445 -5.544 -5.979 1.00 0.00 H < ATOM 1180 2HG ARG B 28 18.108 -4.821 -7.465 1.00 0.00 H < ATOM 1181 1HD ARG B 28 20.071 -6.210 -7.269 1.00 0.00 H < ATOM 1182 2HD ARG B 28 19.423 -6.923 -5.773 1.00 0.00 H < ATOM 1183 HE ARG B 28 17.530 -7.525 -7.856 1.00 0.00 H < ATOM 1184 1HH1 ARG B 28 20.873 -8.241 -7.169 1.00 0.00 H < ATOM 1185 2HH1 ARG B 28 20.722 -9.774 -8.007 1.00 0.00 H < ATOM 1186 1HH2 ARG B 28 17.344 -9.273 -8.825 1.00 0.00 H < ATOM 1187 2HH2 ARG B 28 18.712 -10.363 -8.952 1.00 0.00 H < ATOM 1188 N THR B 29 19.941 -1.346 -4.523 1.00 0.00 N < ATOM 1189 CA THR B 29 20.466 -0.524 -3.431 1.00 0.00 C < ATOM 1190 C THR B 29 19.460 0.559 -3.030 1.00 0.00 C < ATOM 1191 O THR B 29 19.214 0.745 -1.834 1.00 0.00 O < ATOM 1192 CB THR B 29 21.800 0.141 -3.814 1.00 0.00 C < ATOM 1193 OG1 THR B 29 22.783 -0.868 -4.077 1.00 0.00 O < ATOM 1194 CG2 THR B 29 22.291 1.041 -2.690 1.00 0.00 C < ATOM 1195 H THR B 29 20.415 -1.339 -5.415 1.00 0.00 H < ATOM 1196 HA THR B 29 20.626 -1.143 -2.547 1.00 0.00 H < ATOM 1197 HB THR B 29 21.654 0.736 -4.716 1.00 0.00 H < ATOM 1198 HG1 THR B 29 22.389 -1.736 -3.960 1.00 0.00 H < ATOM 1199 1HG2 THR B 29 23.235 1.502 -2.980 1.00 0.00 H < ATOM 1200 2HG2 THR B 29 21.550 1.817 -2.496 1.00 0.00 H < ATOM 1201 3HG2 THR B 29 22.438 0.447 -1.788 1.00 0.00 H < ATOM 1202 N LEU B 30 18.879 1.257 -4.013 1.00 0.00 N < ATOM 1203 CA LEU B 30 17.884 2.307 -3.722 1.00 0.00 C < ATOM 1204 C LEU B 30 16.606 1.742 -3.078 1.00 0.00 C < ATOM 1205 O LEU B 30 16.019 2.384 -2.203 1.00 0.00 O < ATOM 1206 CB LEU B 30 17.533 3.065 -5.008 1.00 0.00 C < ATOM 1207 CG LEU B 30 18.671 3.905 -5.602 1.00 0.00 C < ATOM 1208 CD1 LEU B 30 18.273 4.425 -6.977 1.00 0.00 C < ATOM 1209 CD2 LEU B 30 18.997 5.057 -4.664 1.00 0.00 C < ATOM 1210 H LEU B 30 19.123 1.063 -4.974 1.00 0.00 H < ATOM 1211 HA LEU B 30 18.295 3.008 -2.995 1.00 0.00 H < ATOM 1212 1HB LEU B 30 17.314 2.219 -5.657 1.00 0.00 H < ATOM 1213 2HB LEU B 30 16.636 3.672 -4.887 1.00 0.00 H < ATOM 1214 HG LEU B 30 19.550 3.263 -5.660 1.00 0.00 H < ATOM 1215 1HD1 LEU B 30 19.088 5.019 -7.391 1.00 0.00 H < ATOM 1216 2HD1 LEU B 30 18.068 3.582 -7.638 1.00 0.00 H < ATOM 1217 3HD1 LEU B 30 17.382 5.043 -6.887 1.00 0.00 H < ATOM 1218 1HD2 LEU B 30 19.806 5.653 -5.087 1.00 0.00 H < ATOM 1219 2HD2 LEU B 30 18.113 5.683 -4.535 1.00 0.00 H < ATOM 1220 3HD2 LEU B 30 19.305 4.662 -3.695 1.00 0.00 H < ATOM 1221 N GLN B 31 16.156 0.569 -3.519 1.00 0.00 N < ATOM 1222 CA GLN B 31 14.955 -0.029 -2.925 1.00 0.00 C < ATOM 1223 C GLN B 31 15.148 -0.327 -1.436 1.00 0.00 C < ATOM 1224 O GLN B 31 14.240 -0.087 -0.636 1.00 0.00 O < ATOM 1225 CB GLN B 31 14.578 -1.315 -3.666 1.00 0.00 C < ATOM 1226 CG GLN B 31 13.265 -1.931 -3.214 1.00 0.00 C < ATOM 1227 CD GLN B 31 12.072 -1.051 -3.534 1.00 0.00 C < ATOM 1228 OE1 GLN B 31 11.880 -0.634 -4.679 1.00 0.00 O < ATOM 1229 NE2 GLN B 31 11.262 -0.763 -2.521 1.00 0.00 N < ATOM 1230 H GLN B 31 16.633 0.079 -4.263 1.00 0.00 H < ATOM 1231 HA GLN B 31 14.126 0.675 -2.989 1.00 0.00 H < ATOM 1232 1HB GLN B 31 14.504 -1.111 -4.734 1.00 0.00 H < ATOM 1233 2HB GLN B 31 15.363 -2.058 -3.528 1.00 0.00 H < ATOM 1234 1HG GLN B 31 13.131 -2.887 -3.721 1.00 0.00 H < ATOM 1235 2HG GLN B 31 13.299 -2.082 -2.135 1.00 0.00 H < ATOM 1236 1HE2 GLN B 31 10.458 -0.186 -2.672 1.00 0.00 H < ATOM 1237 2HE2 GLN B 31 11.455 -1.122 -1.608 1.00 0.00 H < ATOM 1238 N GLU B 32 16.325 -0.822 -1.057 1.00 0.00 N < ATOM 1239 CA GLU B 32 16.667 -0.999 0.354 1.00 0.00 C < ATOM 1240 C GLU B 32 16.728 0.347 1.097 1.00 0.00 C < ATOM 1241 O GLU B 32 16.224 0.455 2.216 1.00 0.00 O < ATOM 1242 CB GLU B 32 18.002 -1.735 0.487 1.00 0.00 C < ATOM 1243 CG GLU B 32 17.960 -3.196 0.063 1.00 0.00 C < ATOM 1244 CD GLU B 32 19.323 -3.825 0.133 1.00 0.00 C < ATOM 1245 OE1 GLU B 32 20.264 -3.128 0.431 1.00 0.00 O < ATOM 1246 OE2 GLU B 32 19.410 -5.023 -0.001 1.00 0.00 O < ATOM 1247 H GLU B 32 17.000 -1.082 -1.763 1.00 0.00 H < ATOM 1248 HA GLU B 32 15.893 -1.585 0.851 1.00 0.00 H < ATOM 1249 1HB GLU B 32 18.723 -1.200 -0.130 1.00 0.00 H < ATOM 1250 2HB GLU B 32 18.300 -1.670 1.533 1.00 0.00 H < ATOM 1251 1HG GLU B 32 17.256 -3.795 0.640 1.00 0.00 H < ATOM 1252 2HG GLU B 32 17.633 -3.153 -0.975 1.00 0.00 H < ATOM 1253 N ASN B 33 17.307 1.373 0.475 1.00 0.00 N < ATOM 1254 CA ASN B 33 17.368 2.704 1.088 1.00 0.00 C < ATOM 1255 C ASN B 33 15.974 3.277 1.331 1.00 0.00 C < ATOM 1256 O ASN B 33 15.717 3.890 2.370 1.00 0.00 O < ATOM 1257 CB ASN B 33 18.185 3.666 0.246 1.00 0.00 C < ATOM 1258 CG ASN B 33 19.663 3.389 0.273 1.00 0.00 C < ATOM 1259 OD1 ASN B 33 20.172 2.712 1.175 1.00 0.00 O < ATOM 1260 ND2 ASN B 33 20.365 3.976 -0.662 1.00 0.00 N < ATOM 1261 H ASN B 33 17.713 1.234 -0.440 1.00 0.00 H < ATOM 1262 HA ASN B 33 17.846 2.637 2.067 1.00 0.00 H < ATOM 1263 1HB ASN B 33 17.885 3.906 -0.775 1.00 0.00 H < ATOM 1264 2HB ASN B 33 17.975 4.514 0.896 1.00 0.00 H < ATOM 1265 1HD2 ASN B 33 21.355 3.836 -0.704 1.00 0.00 H < ATOM 1266 2HD2 ASN B 33 19.913 4.563 -1.332 1.00 0.00 H < ATOM 1267 N LEU B 34 15.093 3.089 0.349 1.00 0.00 N < ATOM 1268 CA LEU B 34 13.715 3.598 0.411 1.00 0.00 C < ATOM 1269 C LEU B 34 12.950 2.999 1.589 1.00 0.00 C < ATOM 1270 O LEU B 34 12.317 3.731 2.351 1.00 0.00 O < ATOM 1271 CB LEU B 34 12.973 3.284 -0.895 1.00 0.00 C < ATOM 1272 CG LEU B 34 11.512 3.747 -0.957 1.00 0.00 C < ATOM 1273 CD1 LEU B 34 11.454 5.264 -0.843 1.00 0.00 C < ATOM 1274 CD2 LEU B 34 10.885 3.272 -2.259 1.00 0.00 C < ATOM 1275 H LEU B 34 15.391 2.574 -0.467 1.00 0.00 H < ATOM 1276 HA LEU B 34 13.731 4.675 0.572 1.00 0.00 H < ATOM 1277 1HB LEU B 34 13.506 3.757 -1.719 1.00 0.00 H < ATOM 1278 2HB LEU B 34 12.987 2.206 -1.051 1.00 0.00 H < ATOM 1279 HG LEU B 34 10.961 3.328 -0.115 1.00 0.00 H < ATOM 1280 1HD1 LEU B 34 10.416 5.593 -0.888 1.00 0.00 H < ATOM 1281 2HD1 LEU B 34 11.892 5.575 0.106 1.00 0.00 H < ATOM 1282 3HD1 LEU B 34 12.012 5.713 -1.665 1.00 0.00 H < ATOM 1283 1HD2 LEU B 34 9.846 3.600 -2.304 1.00 0.00 H < ATOM 1284 2HD2 LEU B 34 11.434 3.692 -3.102 1.00 0.00 H < ATOM 1285 3HD2 LEU B 34 10.924 2.184 -2.307 1.00 0.00 H < ATOM 1286 N HIS B 35 13.003 1.645 1.748 1.00 0.00 N < ATOM 1287 CA HIS B 35 12.293 0.973 2.832 1.00 0.00 C < ATOM 1288 C HIS B 35 12.823 1.409 4.177 1.00 0.00 C < ATOM 1289 O HIS B 35 12.045 1.670 5.103 1.00 0.00 O < ATOM 1290 CB HIS B 35 12.403 -0.550 2.698 1.00 0.00 C < ATOM 1291 CG HIS B 35 11.198 -1.286 3.195 1.00 0.00 C < ATOM 1292 ND1 HIS B 35 10.843 -2.535 2.729 1.00 0.00 N < ATOM 1293 CD2 HIS B 35 10.264 -0.949 4.117 1.00 0.00 C < ATOM 1294 CE1 HIS B 35 9.745 -2.934 3.344 1.00 0.00 C < ATOM 1295 NE2 HIS B 35 9.374 -1.992 4.191 1.00 0.00 N < ATOM 1296 H HIS B 35 13.548 1.093 1.101 1.00 0.00 H < ATOM 1297 HA HIS B 35 11.237 1.244 2.806 1.00 0.00 H < ATOM 1298 1HB HIS B 35 12.526 -0.828 1.651 1.00 0.00 H < ATOM 1299 2HB HIS B 35 13.253 -0.916 3.273 1.00 0.00 H < ATOM 1300 HD1 HIS B 35 11.368 -3.097 2.091 1.00 0.00 H < ATOM 1301 HD2 HIS B 35 10.129 -0.070 4.746 1.00 0.00 H < ATOM 1302 HE1 HIS B 35 9.302 -3.904 3.114 1.00 0.00 H < ATOM 1303 N GLN B 36 14.142 1.448 4.314 1.00 0.00 N < ATOM 1304 CA GLN B 36 14.779 1.874 5.558 1.00 0.00 C < ATOM 1305 C GLN B 36 14.386 3.303 5.959 1.00 0.00 C < ATOM 1306 O GLN B 36 14.099 3.555 7.138 1.00 0.00 O < ATOM 1307 CB GLN B 36 16.301 1.772 5.429 1.00 0.00 C < ATOM 1308 CG GLN B 36 16.827 0.348 5.369 1.00 0.00 C < ATOM 1309 CD GLN B 36 18.325 0.294 5.138 1.00 0.00 C < ATOM 1310 OE1 GLN B 36 19.066 1.184 5.564 1.00 0.00 O < ATOM 1311 NE2 GLN B 36 18.780 -0.754 4.460 1.00 0.00 N < ATOM 1312 H GLN B 36 14.722 1.174 3.533 1.00 0.00 H < ATOM 1313 HA GLN B 36 14.445 1.236 6.376 1.00 0.00 H < ATOM 1314 1HB GLN B 36 16.625 2.289 4.526 1.00 0.00 H < ATOM 1315 2HB GLN B 36 16.772 2.269 6.277 1.00 0.00 H < ATOM 1316 1HG GLN B 36 16.608 -0.149 6.314 1.00 0.00 H < ATOM 1317 2HG GLN B 36 16.335 -0.175 4.550 1.00 0.00 H < ATOM 1318 1HE2 GLN B 36 19.760 -0.844 4.277 1.00 0.00 H < ATOM 1319 2HE2 GLN B 36 18.144 -1.453 4.133 1.00 0.00 H < ATOM 1320 N LEU B 37 14.344 4.232 4.996 1.00 0.00 N < ATOM 1321 CA LEU B 37 13.895 5.602 5.275 1.00 0.00 C < ATOM 1322 C LEU B 37 12.416 5.652 5.648 1.00 0.00 C < ATOM 1323 O LEU B 37 12.030 6.411 6.539 1.00 0.00 O < ATOM 1324 CB LEU B 37 14.163 6.501 4.062 1.00 0.00 C < ATOM 1325 CG LEU B 37 15.642 6.795 3.780 1.00 0.00 C < ATOM 1326 CD1 LEU B 37 15.785 7.523 2.450 1.00 0.00 C < ATOM 1327 CD2 LEU B 37 16.221 7.627 4.915 1.00 0.00 C < ATOM 1328 H LEU B 37 14.627 3.988 4.057 1.00 0.00 H < ATOM 1329 HA LEU B 37 14.436 5.995 6.134 1.00 0.00 H < ATOM 1330 1HB LEU B 37 13.751 5.867 3.277 1.00 0.00 H < ATOM 1331 2HB LEU B 37 13.594 7.429 4.114 1.00 0.00 H < ATOM 1332 HG LEU B 37 16.165 5.838 3.767 1.00 0.00 H < ATOM 1333 1HD1 LEU B 37 16.838 7.726 2.257 1.00 0.00 H < ATOM 1334 2HD1 LEU B 37 15.384 6.900 1.649 1.00 0.00 H < ATOM 1335 3HD1 LEU B 37 15.234 8.462 2.489 1.00 0.00 H < ATOM 1336 1HD2 LEU B 37 17.272 7.834 4.714 1.00 0.00 H < ATOM 1337 2HD2 LEU B 37 15.674 8.566 4.993 1.00 0.00 H < ATOM 1338 3HD2 LEU B 37 16.133 7.076 5.852 1.00 0.00 H < ATOM 1339 N GLN B 38 11.589 4.856 4.974 1.00 0.00 N < ATOM 1340 CA GLN B 38 10.152 4.886 5.228 1.00 0.00 C < ATOM 1341 C GLN B 38 9.837 4.478 6.667 1.00 0.00 C < ATOM 1342 O GLN B 38 8.994 5.107 7.307 1.00 0.00 O < ATOM 1343 CB GLN B 38 9.415 3.966 4.250 1.00 0.00 C < ATOM 1344 CG GLN B 38 7.902 4.074 4.315 1.00 0.00 C < ATOM 1345 CD GLN B 38 7.398 5.432 3.865 1.00 0.00 C < ATOM 1346 OE1 GLN B 38 7.717 5.896 2.767 1.00 0.00 O < ATOM 1347 NE2 GLN B 38 6.606 6.079 4.713 1.00 0.00 N < ATOM 1348 H GLN B 38 11.952 4.221 4.277 1.00 0.00 H < ATOM 1349 HA GLN B 38 9.781 5.903 5.106 1.00 0.00 H < ATOM 1350 1HB GLN B 38 9.726 4.196 3.231 1.00 0.00 H < ATOM 1351 2HB GLN B 38 9.688 2.930 4.450 1.00 0.00 H < ATOM 1352 1HG GLN B 38 7.466 3.315 3.665 1.00 0.00 H < ATOM 1353 2HG GLN B 38 7.580 3.914 5.344 1.00 0.00 H < ATOM 1354 1HE2 GLN B 38 6.243 6.980 4.471 1.00 0.00 H < ATOM 1355 2HE2 GLN B 38 6.372 5.667 5.593 1.00 0.00 H < ATOM 1356 N HIS B 39 10.522 3.434 7.202 1.00 0.00 N < ATOM 1357 CA HIS B 39 10.281 3.054 8.591 1.00 0.00 C < ATOM 1358 C HIS B 39 10.733 4.143 9.535 1.00 0.00 C < ATOM 1359 O HIS B 39 10.048 4.430 10.521 1.00 0.00 O < ATOM 1360 CB HIS B 39 10.996 1.739 8.927 1.00 0.00 C < ATOM 1361 CG HIS B 39 10.287 0.523 8.419 1.00 0.00 C < ATOM 1362 ND1 HIS B 39 10.360 -0.699 9.054 1.00 0.00 N < ATOM 1363 CD2 HIS B 39 9.495 0.340 7.336 1.00 0.00 C < ATOM 1364 CE1 HIS B 39 9.639 -1.582 8.384 1.00 0.00 C < ATOM 1365 NE2 HIS B 39 9.105 -0.977 7.339 1.00 0.00 N < ATOM 1366 H HIS B 39 11.196 2.913 6.658 1.00 0.00 H < ATOM 1367 HA HIS B 39 9.213 2.916 8.756 1.00 0.00 H < ATOM 1368 1HB HIS B 39 11.992 1.729 8.482 1.00 0.00 H < ATOM 1369 2HB HIS B 39 11.078 1.624 10.007 1.00 0.00 H < ATOM 1370 HD1 HIS B 39 10.807 -0.886 9.929 1.00 0.00 H < ATOM 1371 HD2 HIS B 39 9.153 1.009 6.546 1.00 0.00 H < ATOM 1372 HE1 HIS B 39 9.566 -2.614 8.729 1.00 0.00 H < ATOM 1373 N GLU B 40 11.902 4.724 9.281 1.00 0.00 N < ATOM 1374 CA GLU B 40 12.377 5.833 10.107 1.00 0.00 C < ATOM 1375 C GLU B 40 11.369 6.988 10.132 1.00 0.00 C < ATOM 1376 O GLU B 40 11.055 7.524 11.207 1.00 0.00 O < ATOM 1377 CB GLU B 40 13.733 6.330 9.600 1.00 0.00 C < ATOM 1378 CG GLU B 40 14.334 7.463 10.420 1.00 0.00 C < ATOM 1379 CD GLU B 40 15.680 7.869 9.887 1.00 0.00 C < ATOM 1380 OE1 GLU B 40 16.124 7.274 8.935 1.00 0.00 O < ATOM 1381 OE2 GLU B 40 16.214 8.844 10.360 1.00 0.00 O < ATOM 1382 H GLU B 40 12.473 4.404 8.512 1.00 0.00 H < ATOM 1383 HA GLU B 40 12.490 5.503 11.140 1.00 0.00 H < ATOM 1384 1HB GLU B 40 14.410 5.475 9.613 1.00 0.00 H < ATOM 1385 2HB GLU B 40 13.587 6.663 8.573 1.00 0.00 H < ATOM 1386 1HG GLU B 40 13.690 8.339 10.484 1.00 0.00 H < ATOM 1387 2HG GLU B 40 14.452 7.027 11.411 1.00 0.00 H < ATOM 1388 N TYR B 41 10.870 7.376 8.959 1.00 0.00 N < ATOM 1389 CA TYR B 41 9.843 8.424 8.864 1.00 0.00 C < ATOM 1390 C TYR B 41 8.585 8.032 9.648 1.00 0.00 C < ATOM 1391 O TYR B 41 8.094 8.815 10.473 1.00 0.00 O < ATOM 1392 CB TYR B 41 9.485 8.695 7.400 1.00 0.00 C < ATOM 1393 CG TYR B 41 8.345 9.672 7.219 1.00 0.00 C < ATOM 1394 CD1 TYR B 41 8.557 11.040 7.303 1.00 0.00 C < ATOM 1395 CD2 TYR B 41 7.058 9.222 6.963 1.00 0.00 C < ATOM 1396 CE1 TYR B 41 7.519 11.936 7.139 1.00 0.00 C < ATOM 1397 CE2 TYR B 41 6.012 10.109 6.796 1.00 0.00 C < ATOM 1398 CZ TYR B 41 6.247 11.467 6.885 1.00 0.00 C < ATOM 1399 OH TYR B 41 5.209 12.354 6.718 1.00 0.00 O < ATOM 1400 H TYR B 41 11.207 6.939 8.113 1.00 0.00 H < ATOM 1401 HA TYR B 41 10.214 9.347 9.307 1.00 0.00 H < ATOM 1402 1HB TYR B 41 10.381 9.088 6.917 1.00 0.00 H < ATOM 1403 2HB TYR B 41 9.220 7.738 6.950 1.00 0.00 H < ATOM 1404 HD1 TYR B 41 9.565 11.403 7.505 1.00 0.00 H < ATOM 1405 HD2 TYR B 41 6.879 8.149 6.895 1.00 0.00 H < ATOM 1406 HE1 TYR B 41 7.701 13.008 7.208 1.00 0.00 H < ATOM 1407 HE2 TYR B 41 5.008 9.735 6.594 1.00 0.00 H < ATOM 1408 HH TYR B 41 4.370 11.921 6.543 1.00 0.00 H < ATOM 1409 N ASP B 42 8.072 6.828 9.397 1.00 0.00 N < ATOM 1410 CA ASP B 42 6.854 6.350 10.063 1.00 0.00 C < ATOM 1411 C ASP B 42 6.987 6.390 11.589 1.00 0.00 C < ATOM 1412 O ASP B 42 6.071 6.846 12.281 1.00 0.00 O < ATOM 1413 CB ASP B 42 6.527 4.923 9.614 1.00 0.00 C < ATOM 1414 CG ASP B 42 6.071 4.848 8.163 1.00 0.00 C < ATOM 1415 OD1 ASP B 42 5.790 5.877 7.595 1.00 0.00 O < ATOM 1416 OD2 ASP B 42 6.007 3.763 7.637 1.00 0.00 O < ATOM 1417 H ASP B 42 8.536 6.228 8.730 1.00 0.00 H < ATOM 1418 HA ASP B 42 6.018 7.003 9.813 1.00 0.00 H < ATOM 1419 1HB ASP B 42 7.408 4.293 9.736 1.00 0.00 H < ATOM 1420 2HB ASP B 42 5.741 4.514 10.249 1.00 0.00 H < ATOM 1421 N GLN B 43 8.120 5.921 12.109 1.00 0.00 N < ATOM 1422 CA GLN B 43 8.354 5.921 13.558 1.00 0.00 C < ATOM 1423 C GLN B 43 8.374 7.343 14.134 1.00 0.00 C < ATOM 1424 O GLN B 43 7.862 7.574 15.236 1.00 0.00 O < ATOM 1425 CB GLN B 43 9.674 5.217 13.881 1.00 0.00 C < ATOM 1426 CG GLN B 43 9.634 3.708 13.707 1.00 0.00 C < ATOM 1427 CD GLN B 43 10.996 3.068 13.899 1.00 0.00 C < ATOM 1428 OE1 GLN B 43 12.004 3.758 14.073 1.00 0.00 O < ATOM 1429 NE2 GLN B 43 11.035 1.741 13.863 1.00 0.00 N < ATOM 1430 H GLN B 43 8.836 5.557 11.496 1.00 0.00 H < ATOM 1431 HA GLN B 43 7.536 5.403 14.059 1.00 0.00 H < ATOM 1432 1HB GLN B 43 10.429 5.645 13.222 1.00 0.00 H < ATOM 1433 2HB GLN B 43 9.915 5.460 14.916 1.00 0.00 H < ATOM 1434 1HG GLN B 43 8.895 3.076 14.199 1.00 0.00 H < ATOM 1435 2HG GLN B 43 9.421 3.750 12.638 1.00 0.00 H < ATOM 1436 1HE2 GLN B 43 11.906 1.261 13.983 1.00 0.00 H < ATOM 1437 2HE2 GLN B 43 10.194 1.218 13.715 1.00 0.00 H < ATOM 1438 N GLN B 44 8.940 8.291 13.389 1.00 0.00 N < ATOM 1439 CA GLN B 44 8.947 9.696 13.803 1.00 0.00 C < ATOM 1440 C GLN B 44 7.531 10.290 13.823 1.00 0.00 C < ATOM 1441 O GLN B 44 7.225 11.141 14.658 1.00 0.00 O < ATOM 1442 CB GLN B 44 9.838 10.519 12.868 1.00 0.00 C < ATOM 1443 CG GLN B 44 10.044 11.957 13.312 1.00 0.00 C < ATOM 1444 CD GLN B 44 10.773 12.055 14.638 1.00 0.00 C < ATOM 1445 OE1 GLN B 44 11.782 11.380 14.860 1.00 0.00 O < ATOM 1446 NE2 GLN B 44 10.263 12.895 15.532 1.00 0.00 N < ATOM 1447 H GLN B 44 9.376 8.032 12.515 1.00 0.00 H < ATOM 1448 HA GLN B 44 9.323 9.773 14.823 1.00 0.00 H < ATOM 1449 1HB GLN B 44 10.799 10.006 12.818 1.00 0.00 H < ATOM 1450 2HB GLN B 44 9.365 10.500 11.886 1.00 0.00 H < ATOM 1451 1HG GLN B 44 10.445 12.726 12.652 1.00 0.00 H < ATOM 1452 2HG GLN B 44 8.984 12.147 13.485 1.00 0.00 H < ATOM 1453 1HE2 GLN B 44 10.701 13.002 16.426 1.00 0.00 H < ATOM 1454 2HE2 GLN B 44 9.442 13.422 15.312 1.00 0.00 H < ATOM 1455 N GLN B 45 6.679 9.836 12.906 1.00 0.00 N < ATOM 1456 CA GLN B 45 5.306 10.341 12.782 1.00 0.00 C < ATOM 1457 C GLN B 45 4.368 9.681 13.795 1.00 0.00 C < ATOM 1458 O GLN B 45 3.377 10.282 14.210 1.00 0.00 O < ATOM 1459 CB GLN B 45 4.776 10.106 11.365 1.00 0.00 C < ATOM 1460 CG GLN B 45 5.501 10.900 10.291 1.00 0.00 C < ATOM 1461 CD GLN B 45 5.430 12.395 10.530 1.00 0.00 C < ATOM 1462 OE1 GLN B 45 4.350 12.955 10.741 1.00 0.00 O < ATOM 1463 NE2 GLN B 45 6.583 13.055 10.494 1.00 0.00 N < ATOM 1464 H GLN B 45 6.997 9.114 12.274 1.00 0.00 H < ATOM 1465 HA GLN B 45 5.289 11.409 13.000 1.00 0.00 H < ATOM 1466 1HB GLN B 45 4.875 9.038 11.165 1.00 0.00 H < ATOM 1467 2HB GLN B 45 3.721 10.378 11.374 1.00 0.00 H < ATOM 1468 1HG GLN B 45 6.513 10.661 9.962 1.00 0.00 H < ATOM 1469 2HG GLN B 45 4.794 10.642 9.501 1.00 0.00 H < ATOM 1470 1HE2 GLN B 45 6.598 14.045 10.645 1.00 0.00 H < ATOM 1471 2HE2 GLN B 45 7.436 12.563 10.318 1.00 0.00 H < ATOM 1472 N THR B 46 4.682 8.445 14.184 1.00 0.00 N < ATOM 1473 CA THR B 46 3.891 7.700 15.168 1.00 0.00 C < ATOM 1474 C THR B 46 4.320 8.029 16.594 1.00 0.00 C < ATOM 1475 O THR B 46 4.616 9.178 16.916 1.00 0.00 O < ATOM 1476 OXT THR B 46 4.372 7.161 17.420 1.00 0.00 O < ATOM 1477 CB THR B 46 4.005 6.179 14.951 1.00 0.00 C < ATOM 1478 OG1 THR B 46 3.512 5.842 13.648 1.00 0.00 O < ATOM 1479 CG2 THR B 46 3.203 5.429 16.003 1.00 0.00 C < ATOM 1480 H THR B 46 5.500 8.011 13.780 1.00 0.00 H < ATOM 1481 HA THR B 46 2.842 7.985 15.090 1.00 0.00 H < ATOM 1482 HB THR B 46 5.053 5.888 15.020 1.00 0.00 H < ATOM 1483 HG1 THR B 46 3.231 6.640 13.196 1.00 0.00 H < ATOM 1484 1HG2 THR B 46 3.296 4.356 15.833 1.00 0.00 H < ATOM 1485 2HG2 THR B 46 3.583 5.675 16.994 1.00 0.00 H < ATOM 1486 3HG2 THR B 46 2.156 5.717 15.934 1.00 0.00 H < HETATM 1487 ZN ZN B 47 6.263 5.185 -8.318 1.00 0.00 ZN --- > HETATM 739 ZN ZN A 47 7.194 -2.611 5.728 1.00 0.00 ZN > TER > ATOM 741 N GLY B 1 9.730 14.514 11.228 1.00 0.00 N > ATOM 742 CA GLY B 1 8.822 14.172 10.100 1.00 0.00 C > ATOM 743 C GLY B 1 9.339 14.573 8.733 1.00 0.00 C > ATOM 744 O GLY B 1 9.762 13.722 7.956 1.00 0.00 O > ATOM 745 1H GLY B 1 9.416 15.124 11.956 1.00 0.00 H > ATOM 746 2H GLY B 1 10.089 13.789 11.818 1.00 0.00 H > ATOM 747 3H GLY B 1 10.601 14.971 11.048 1.00 0.00 H > ATOM 748 1HA GLY B 1 8.665 13.092 10.084 1.00 0.00 H > ATOM 749 2HA GLY B 1 7.867 14.674 10.247 1.00 0.00 H > ATOM 750 N SER B 2 9.303 15.873 8.443 1.00 0.00 N > ATOM 751 CA SER B 2 9.710 16.404 7.136 1.00 0.00 C > ATOM 752 C SER B 2 10.961 15.757 6.527 1.00 0.00 C > ATOM 753 O SER B 2 10.898 15.267 5.404 1.00 0.00 O > ATOM 754 CB SER B 2 9.926 17.900 7.260 1.00 0.00 C > ATOM 755 OG SER B 2 8.719 18.597 7.397 1.00 0.00 O > ATOM 756 H SER B 2 8.981 16.511 9.155 1.00 0.00 H > ATOM 757 HA SER B 2 8.923 16.348 6.382 1.00 0.00 H > ATOM 758 1HB SER B 2 10.548 18.090 8.134 1.00 0.00 H > ATOM 759 2HB SER B 2 10.440 18.253 6.366 1.00 0.00 H > ATOM 760 HG SER B 2 7.986 17.976 7.363 1.00 0.00 H > ATOM 761 N PRO B 3 12.099 15.772 7.245 1.00 0.00 N > ATOM 762 CA PRO B 3 13.327 15.241 6.637 1.00 0.00 C > ATOM 763 C PRO B 3 13.231 13.754 6.252 1.00 0.00 C > ATOM 764 O PRO B 3 13.976 13.296 5.373 1.00 0.00 O > ATOM 765 CB PRO B 3 14.389 15.477 7.716 1.00 0.00 C > ATOM 766 CG PRO B 3 13.609 15.650 8.974 1.00 0.00 C > ATOM 767 CD PRO B 3 12.347 16.363 8.567 1.00 0.00 C > ATOM 768 HA PRO B 3 13.581 15.735 5.688 1.00 0.00 H > ATOM 769 1HB PRO B 3 15.083 14.627 7.792 1.00 0.00 H > ATOM 770 2HB PRO B 3 14.995 16.369 7.498 1.00 0.00 H > ATOM 771 1HG PRO B 3 13.381 14.678 9.437 1.00 0.00 H > ATOM 772 2HG PRO B 3 14.172 16.235 9.715 1.00 0.00 H > ATOM 773 1HD PRO B 3 11.519 16.175 9.266 1.00 0.00 H > ATOM 774 2HD PRO B 3 12.484 17.453 8.517 1.00 0.00 H > ATOM 775 N LEU B 4 12.330 13.015 6.898 1.00 0.00 N > ATOM 776 CA LEU B 4 12.137 11.586 6.604 1.00 0.00 C > ATOM 777 C LEU B 4 11.306 11.388 5.339 1.00 0.00 C > ATOM 778 O LEU B 4 11.621 10.537 4.506 1.00 0.00 O > ATOM 779 CB LEU B 4 11.467 10.882 7.791 1.00 0.00 C > ATOM 780 CG LEU B 4 12.297 10.848 9.081 1.00 0.00 C > ATOM 781 CD1 LEU B 4 11.476 10.245 10.214 1.00 0.00 C > ATOM 782 CD2 LEU B 4 13.567 10.043 8.849 1.00 0.00 C > ATOM 783 H LEU B 4 11.764 13.451 7.611 1.00 0.00 H > ATOM 784 HA LEU B 4 13.102 11.118 6.416 1.00 0.00 H > ATOM 785 1HB LEU B 4 10.604 11.533 7.920 1.00 0.00 H > ATOM 786 2HB LEU B 4 11.130 9.879 7.529 1.00 0.00 H > ATOM 787 HG LEU B 4 12.588 11.873 9.306 1.00 0.00 H > ATOM 788 1HD1 LEU B 4 12.073 10.224 11.126 1.00 0.00 H > ATOM 789 2HD1 LEU B 4 10.584 10.849 10.379 1.00 0.00 H > ATOM 790 3HD1 LEU B 4 11.183 9.229 9.950 1.00 0.00 H > ATOM 791 1HD2 LEU B 4 14.155 10.020 9.767 1.00 0.00 H > ATOM 792 2HD2 LEU B 4 13.306 9.025 8.559 1.00 0.00 H > ATOM 793 3HD2 LEU B 4 14.152 10.506 8.055 1.00 0.00 H > ATOM 794 N LEU B 5 10.236 12.165 5.198 1.00 0.00 N > ATOM 795 CA LEU B 5 9.420 12.116 3.989 1.00 0.00 C > ATOM 796 C LEU B 5 10.206 12.598 2.763 1.00 0.00 C > ATOM 797 O LEU B 5 10.044 12.062 1.669 1.00 0.00 O > ATOM 798 CB LEU B 5 8.152 12.958 4.178 1.00 0.00 C > ATOM 799 CG LEU B 5 7.097 12.806 3.075 1.00 0.00 C > ATOM 800 CD1 LEU B 5 6.647 11.355 2.979 1.00 0.00 C > ATOM 801 CD2 LEU B 5 5.916 13.720 3.370 1.00 0.00 C > ATOM 802 H LEU B 5 9.979 12.801 5.940 1.00 0.00 H > ATOM 803 HA LEU B 5 9.134 11.084 3.783 1.00 0.00 H > ATOM 804 1HB LEU B 5 7.786 12.521 5.106 1.00 0.00 H > ATOM 805 2HB LEU B 5 8.386 14.009 4.339 1.00 0.00 H > ATOM 806 HG LEU B 5 7.552 13.141 2.143 1.00 0.00 H > ATOM 807 1HD1 LEU B 5 5.897 11.255 2.193 1.00 0.00 H > ATOM 808 2HD1 LEU B 5 7.503 10.722 2.744 1.00 0.00 H > ATOM 809 3HD1 LEU B 5 6.216 11.044 3.931 1.00 0.00 H > ATOM 810 1HD2 LEU B 5 5.168 13.610 2.584 1.00 0.00 H > ATOM 811 2HD2 LEU B 5 5.478 13.448 4.330 1.00 0.00 H > ATOM 812 3HD2 LEU B 5 6.257 14.754 3.406 1.00 0.00 H > ATOM 813 N GLN B 6 11.049 13.611 2.946 1.00 0.00 N > ATOM 814 CA GLN B 6 11.886 14.129 1.859 1.00 0.00 C > ATOM 815 C GLN B 6 12.867 13.059 1.368 1.00 0.00 C > ATOM 816 O GLN B 6 13.082 12.904 0.158 1.00 0.00 O > ATOM 817 CB GLN B 6 12.658 15.369 2.320 1.00 0.00 C > ATOM 818 CG GLN B 6 11.798 16.608 2.495 1.00 0.00 C > ATOM 819 CD GLN B 6 12.539 17.734 3.189 1.00 0.00 C > ATOM 820 OE1 GLN B 6 13.646 17.544 3.701 1.00 0.00 O > ATOM 821 NE2 GLN B 6 11.932 18.916 3.213 1.00 0.00 N > ATOM 822 H GLN B 6 11.113 14.033 3.860 1.00 0.00 H > ATOM 823 HA GLN B 6 11.259 14.392 1.009 1.00 0.00 H > ATOM 824 1HB GLN B 6 13.132 15.110 3.267 1.00 0.00 H > ATOM 825 2HB GLN B 6 13.426 15.557 1.570 1.00 0.00 H > ATOM 826 1HG GLN B 6 11.215 17.041 1.683 1.00 0.00 H > ATOM 827 2HG GLN B 6 11.123 16.143 3.216 1.00 0.00 H > ATOM 828 1HE2 GLN B 6 12.374 19.696 3.657 1.00 0.00 H > ATOM 829 2HE2 GLN B 6 11.034 19.026 2.787 1.00 0.00 H > ATOM 830 N GLN B 7 13.459 12.327 2.311 1.00 0.00 N > ATOM 831 CA GLN B 7 14.375 11.224 1.991 1.00 0.00 C > ATOM 832 C GLN B 7 13.647 10.107 1.255 1.00 0.00 C > ATOM 833 O GLN B 7 14.190 9.515 0.317 1.00 0.00 O > ATOM 834 CB GLN B 7 15.019 10.668 3.264 1.00 0.00 C > ATOM 835 CG GLN B 7 16.195 9.740 3.011 1.00 0.00 C > ATOM 836 CD GLN B 7 17.395 10.468 2.438 1.00 0.00 C > ATOM 837 OE1 GLN B 7 17.873 11.451 3.010 1.00 0.00 O > ATOM 838 NE2 GLN B 7 17.886 9.992 1.300 1.00 0.00 N > ATOM 839 H GLN B 7 13.266 12.541 3.279 1.00 0.00 H > ATOM 840 HA GLN B 7 15.158 11.582 1.322 1.00 0.00 H > ATOM 841 1HB GLN B 7 15.345 11.525 3.853 1.00 0.00 H > ATOM 842 2HB GLN B 7 14.238 10.133 3.803 1.00 0.00 H > ATOM 843 1HG GLN B 7 16.558 9.032 3.756 1.00 0.00 H > ATOM 844 2HG GLN B 7 15.704 9.195 2.203 1.00 0.00 H > ATOM 845 1HE2 GLN B 7 18.677 10.431 0.873 1.00 0.00 H > ATOM 846 2HE2 GLN B 7 17.466 9.193 0.868 1.00 0.00 H > ATOM 847 N ILE B 8 12.422 9.818 1.683 1.00 0.00 N > ATOM 848 CA ILE B 8 11.544 8.872 0.989 1.00 0.00 C > ATOM 849 C ILE B 8 11.240 9.331 -0.447 1.00 0.00 C > ATOM 850 O ILE B 8 11.312 8.523 -1.383 1.00 0.00 O > ATOM 851 CB ILE B 8 10.219 8.677 1.748 1.00 0.00 C > ATOM 852 CG1 ILE B 8 10.457 7.907 3.049 1.00 0.00 C > ATOM 853 CG2 ILE B 8 9.207 7.952 0.874 1.00 0.00 C > ATOM 854 CD1 ILE B 8 9.261 7.887 3.974 1.00 0.00 C > ATOM 855 H ILE B 8 12.090 10.272 2.522 1.00 0.00 H > ATOM 856 HA ILE B 8 12.039 7.909 0.866 1.00 0.00 H > ATOM 857 HB ILE B 8 9.824 9.652 2.028 1.00 0.00 H > ATOM 858 1HG1 ILE B 8 10.725 6.886 2.777 1.00 0.00 H > ATOM 859 2HG1 ILE B 8 11.300 8.379 3.555 1.00 0.00 H > ATOM 860 1HG2 ILE B 8 8.277 7.822 1.426 1.00 0.00 H > ATOM 861 2HG2 ILE B 8 9.017 8.537 -0.025 1.00 0.00 H > ATOM 862 3HG2 ILE B 8 9.602 6.975 0.593 1.00 0.00 H > ATOM 863 1HD1 ILE B 8 9.506 7.323 4.874 1.00 0.00 H > ATOM 864 2HD1 ILE B 8 8.994 8.908 4.248 1.00 0.00 H > ATOM 865 3HD1 ILE B 8 8.419 7.414 3.471 1.00 0.00 H > ATOM 866 N HIS B 9 10.913 10.614 -0.626 1.00 0.00 N > ATOM 867 CA HIS B 9 10.682 11.169 -1.970 1.00 0.00 C > ATOM 868 C HIS B 9 11.926 10.994 -2.847 1.00 0.00 C > ATOM 869 O HIS B 9 11.846 10.533 -3.989 1.00 0.00 O > ATOM 870 CB HIS B 9 10.308 12.653 -1.893 1.00 0.00 C > ATOM 871 CG HIS B 9 10.027 13.273 -3.226 1.00 0.00 C > ATOM 872 ND1 HIS B 9 8.844 13.069 -3.906 1.00 0.00 N > ATOM 873 CD2 HIS B 9 10.774 14.089 -4.006 1.00 0.00 C > ATOM 874 CE1 HIS B 9 8.876 13.736 -5.047 1.00 0.00 C > ATOM 875 NE2 HIS B 9 10.035 14.362 -5.131 1.00 0.00 N > ATOM 876 H HIS B 9 10.821 11.217 0.178 1.00 0.00 H > ATOM 877 HA HIS B 9 9.872 10.626 -2.457 1.00 0.00 H > ATOM 878 1HB HIS B 9 9.424 12.774 -1.267 1.00 0.00 H > ATOM 879 2HB HIS B 9 11.120 13.209 -1.423 1.00 0.00 H > ATOM 880 HD2 HIS B 9 11.774 14.460 -3.783 1.00 0.00 H > ATOM 881 HE1 HIS B 9 8.080 13.764 -5.791 1.00 0.00 H > ATOM 882 HE2 HIS B 9 10.336 14.948 -5.897 1.00 0.00 H > ATOM 883 N ASN B 10 13.070 11.403 -2.310 1.00 0.00 N > ATOM 884 CA ASN B 10 14.320 11.375 -3.060 1.00 0.00 C > ATOM 885 C ASN B 10 14.720 9.967 -3.493 1.00 0.00 C > ATOM 886 O ASN B 10 15.026 9.760 -4.667 1.00 0.00 O > ATOM 887 CB ASN B 10 15.445 12.008 -2.261 1.00 0.00 C > ATOM 888 CG ASN B 10 15.358 13.507 -2.176 1.00 0.00 C > ATOM 889 OD1 ASN B 10 14.658 14.154 -2.962 1.00 0.00 O > ATOM 890 ND2 ASN B 10 16.127 14.066 -1.277 1.00 0.00 N > ATOM 891 H ASN B 10 13.074 11.740 -1.359 1.00 0.00 H > ATOM 892 HA ASN B 10 14.209 11.942 -3.985 1.00 0.00 H > ATOM 893 1HB ASN B 10 15.730 11.610 -1.286 1.00 0.00 H > ATOM 894 2HB ASN B 10 16.203 11.741 -2.998 1.00 0.00 H > ATOM 895 1HD2 ASN B 10 16.122 15.060 -1.164 1.00 0.00 H > ATOM 896 2HD2 ASN B 10 16.720 13.501 -0.704 1.00 0.00 H > ATOM 897 N ILE B 11 14.716 8.999 -2.575 1.00 0.00 N > ATOM 898 CA ILE B 11 15.124 7.632 -2.939 1.00 0.00 C > ATOM 899 C ILE B 11 14.166 7.061 -3.985 1.00 0.00 C > ATOM 900 O ILE B 11 14.592 6.434 -4.959 1.00 0.00 O > ATOM 901 CB ILE B 11 15.159 6.695 -1.718 1.00 0.00 C > ATOM 902 CG1 ILE B 11 16.235 7.149 -0.728 1.00 0.00 C > ATOM 903 CG2 ILE B 11 15.405 5.260 -2.154 1.00 0.00 C > ATOM 904 CD1 ILE B 11 17.632 7.156 -1.304 1.00 0.00 C > ATOM 905 H ILE B 11 14.433 9.191 -1.625 1.00 0.00 H > ATOM 906 HA ILE B 11 16.105 7.638 -3.413 1.00 0.00 H > ATOM 907 HB ILE B 11 14.205 6.757 -1.195 1.00 0.00 H > ATOM 908 1HG1 ILE B 11 15.972 8.155 -0.401 1.00 0.00 H > ATOM 909 2HG1 ILE B 11 16.198 6.470 0.124 1.00 0.00 H > ATOM 910 1HG2 ILE B 11 15.427 4.611 -1.279 1.00 0.00 H > ATOM 911 2HG2 ILE B 11 14.606 4.940 -2.822 1.00 0.00 H > ATOM 912 3HG2 ILE B 11 16.361 5.197 -2.676 1.00 0.00 H > ATOM 913 1HD1 ILE B 11 18.339 7.488 -0.544 1.00 0.00 H > ATOM 914 2HD1 ILE B 11 17.897 6.149 -1.630 1.00 0.00 H > ATOM 915 3HD1 ILE B 11 17.672 7.834 -2.156 1.00 0.00 H > ATOM 916 N HIS B 12 12.842 7.290 -3.807 1.00 0.00 N > ATOM 917 CA HIS B 12 11.862 6.839 -4.790 1.00 0.00 C > ATOM 918 C HIS B 12 12.203 7.354 -6.169 1.00 0.00 C > ATOM 919 O HIS B 12 12.175 6.589 -7.150 1.00 0.00 O > ATOM 920 CB HIS B 12 10.449 7.285 -4.406 1.00 0.00 C > ATOM 921 CG HIS B 12 9.446 7.118 -5.504 1.00 0.00 C > ATOM 922 ND1 HIS B 12 8.690 8.167 -5.989 1.00 0.00 N > ATOM 923 CD2 HIS B 12 9.073 6.027 -6.212 1.00 0.00 C > ATOM 924 CE1 HIS B 12 7.895 7.726 -6.947 1.00 0.00 C > ATOM 925 NE2 HIS B 12 8.109 6.430 -7.102 1.00 0.00 N > ATOM 926 H HIS B 12 12.523 7.779 -2.983 1.00 0.00 H > ATOM 927 HA HIS B 12 11.876 5.750 -4.852 1.00 0.00 H > ATOM 928 1HB HIS B 12 10.086 6.699 -3.561 1.00 0.00 H > ATOM 929 2HB HIS B 12 10.449 8.342 -4.140 1.00 0.00 H > ATOM 930 HD1 HIS B 12 8.777 9.127 -5.726 1.00 0.00 H > ATOM 931 HD2 HIS B 12 9.389 4.984 -6.187 1.00 0.00 H > ATOM 932 HE1 HIS B 12 7.215 8.405 -7.460 1.00 0.00 H > ATOM 933 N SER B 13 12.483 8.649 -6.291 1.00 0.00 N > ATOM 934 CA SER B 13 12.890 9.238 -7.575 1.00 0.00 C > ATOM 935 C SER B 13 14.184 8.623 -8.109 1.00 0.00 C > ATOM 936 O SER B 13 14.295 8.358 -9.307 1.00 0.00 O > ATOM 937 CB SER B 13 13.067 10.736 -7.424 1.00 0.00 C > ATOM 938 OG SER B 13 11.848 11.358 -7.125 1.00 0.00 O > ATOM 939 H SER B 13 12.413 9.243 -5.478 1.00 0.00 H > ATOM 940 HA SER B 13 12.119 9.174 -8.345 1.00 0.00 H > ATOM 941 1HB SER B 13 13.787 10.939 -6.632 1.00 0.00 H > ATOM 942 2HB SER B 13 13.472 11.149 -8.347 1.00 0.00 H > ATOM 943 HG SER B 13 11.687 11.189 -6.193 1.00 0.00 H > ATOM 944 N PHE B 14 15.160 8.390 -7.232 1.00 0.00 N > ATOM 945 CA PHE B 14 16.437 7.790 -7.654 1.00 0.00 C > ATOM 946 C PHE B 14 16.245 6.385 -8.249 1.00 0.00 C > ATOM 947 O PHE B 14 16.952 6.005 -9.183 1.00 0.00 O > ATOM 948 CB PHE B 14 17.408 7.728 -6.474 1.00 0.00 C > ATOM 949 CG PHE B 14 17.800 9.077 -5.941 1.00 0.00 C > ATOM 950 CD1 PHE B 14 17.587 10.223 -6.691 1.00 0.00 C > ATOM 951 CD2 PHE B 14 18.384 9.201 -4.689 1.00 0.00 C > ATOM 952 CE1 PHE B 14 17.949 11.465 -6.202 1.00 0.00 C > ATOM 953 CE2 PHE B 14 18.745 10.440 -4.197 1.00 0.00 C > ATOM 954 CZ PHE B 14 18.528 11.574 -4.955 1.00 0.00 C > ATOM 955 H PHE B 14 15.025 8.626 -6.260 1.00 0.00 H > ATOM 956 HA PHE B 14 16.885 8.393 -8.446 1.00 0.00 H > ATOM 957 1HB PHE B 14 16.957 7.184 -5.645 1.00 0.00 H > ATOM 958 2HB PHE B 14 18.330 7.231 -6.773 1.00 0.00 H > ATOM 959 HD1 PHE B 14 17.129 10.137 -7.677 1.00 0.00 H > ATOM 960 HD2 PHE B 14 18.557 8.305 -4.091 1.00 0.00 H > ATOM 961 HE1 PHE B 14 17.775 12.357 -6.802 1.00 0.00 H > ATOM 962 HE2 PHE B 14 19.202 10.524 -3.211 1.00 0.00 H > ATOM 963 HZ PHE B 14 18.814 12.550 -4.569 1.00 0.00 H > ATOM 964 N ILE B 15 15.314 5.606 -7.703 1.00 0.00 N > ATOM 965 CA ILE B 15 15.055 4.253 -8.211 1.00 0.00 C > ATOM 966 C ILE B 15 14.612 4.299 -9.687 1.00 0.00 C > ATOM 967 O ILE B 15 15.138 3.555 -10.520 1.00 0.00 O > ATOM 968 CB ILE B 15 13.978 3.545 -7.368 1.00 0.00 C > ATOM 969 CG1 ILE B 15 14.500 3.271 -5.956 1.00 0.00 C > ATOM 970 CG2 ILE B 15 13.542 2.251 -8.039 1.00 0.00 C > ATOM 971 CD1 ILE B 15 13.422 2.876 -4.972 1.00 0.00 C > ATOM 972 H ILE B 15 14.773 5.950 -6.923 1.00 0.00 H > ATOM 973 HA ILE B 15 15.969 3.661 -8.211 1.00 0.00 H > ATOM 974 HB ILE B 15 13.111 4.198 -7.263 1.00 0.00 H > ATOM 975 1HG1 ILE B 15 15.240 2.473 -5.990 1.00 0.00 H > ATOM 976 2HG1 ILE B 15 14.999 4.162 -5.573 1.00 0.00 H > ATOM 977 1HG2 ILE B 15 12.782 1.764 -7.430 1.00 0.00 H > ATOM 978 2HG2 ILE B 15 13.132 2.472 -9.023 1.00 0.00 H > ATOM 979 3HG2 ILE B 15 14.402 1.589 -8.144 1.00 0.00 H > ATOM 980 1HD1 ILE B 15 13.869 2.699 -3.994 1.00 0.00 H > ATOM 981 2HD1 ILE B 15 12.687 3.679 -4.895 1.00 0.00 H > ATOM 982 3HD1 ILE B 15 12.932 1.967 -5.316 1.00 0.00 H > ATOM 983 N HIS B 16 13.639 5.189 -10.028 1.00 0.00 N > ATOM 984 CA HIS B 16 13.167 5.290 -11.406 1.00 0.00 C > ATOM 985 C HIS B 16 14.279 5.728 -12.327 1.00 0.00 C > ATOM 986 O HIS B 16 14.361 5.270 -13.472 1.00 0.00 O > ATOM 987 CB HIS B 16 11.989 6.265 -11.506 1.00 0.00 C > ATOM 988 CG HIS B 16 10.683 5.677 -11.070 1.00 0.00 C > ATOM 989 ND1 HIS B 16 10.082 4.627 -11.729 1.00 0.00 N > ATOM 990 CD2 HIS B 16 9.861 5.996 -10.041 1.00 0.00 C > ATOM 991 CE1 HIS B 16 8.948 4.322 -11.124 1.00 0.00 C > ATOM 992 NE2 HIS B 16 8.790 5.138 -10.097 1.00 0.00 N > ATOM 993 H HIS B 16 13.235 5.788 -9.324 1.00 0.00 H > ATOM 994 HA HIS B 16 12.835 4.312 -11.755 1.00 0.00 H > ATOM 995 1HB HIS B 16 12.167 7.136 -10.872 1.00 0.00 H > ATOM 996 2HB HIS B 16 11.857 6.589 -12.537 1.00 0.00 H > ATOM 997 HD1 HIS B 16 10.470 4.108 -12.493 1.00 0.00 H > ATOM 998 HD2 HIS B 16 9.915 6.750 -9.257 1.00 0.00 H > ATOM 999 HE1 HIS B 16 8.322 3.511 -11.495 1.00 0.00 H > ATOM 1000 N GLN B 17 15.110 6.647 -11.859 1.00 0.00 N > ATOM 1001 CA GLN B 17 16.269 7.079 -12.631 1.00 0.00 C > ATOM 1002 C GLN B 17 17.264 5.936 -12.860 1.00 0.00 C > ATOM 1003 O GLN B 17 17.783 5.772 -13.977 1.00 0.00 O > ATOM 1004 CB GLN B 17 16.972 8.241 -11.924 1.00 0.00 C > ATOM 1005 CG GLN B 17 16.184 9.539 -11.924 1.00 0.00 C > ATOM 1006 CD GLN B 17 16.838 10.614 -11.077 1.00 0.00 C > ATOM 1007 OE1 GLN B 17 17.796 10.350 -10.344 1.00 0.00 O > ATOM 1008 NE2 GLN B 17 16.322 11.834 -11.168 1.00 0.00 N > ATOM 1009 H GLN B 17 14.942 7.059 -10.951 1.00 0.00 H > ATOM 1010 HA GLN B 17 15.949 7.399 -13.622 1.00 0.00 H > ATOM 1011 1HB GLN B 17 17.155 7.920 -10.898 1.00 0.00 H > ATOM 1012 2HB GLN B 17 17.924 8.389 -12.433 1.00 0.00 H > ATOM 1013 1HG GLN B 17 15.820 10.007 -12.838 1.00 0.00 H > ATOM 1014 2HG GLN B 17 15.340 9.126 -11.369 1.00 0.00 H > ATOM 1015 1HE2 GLN B 17 16.712 12.583 -10.632 1.00 0.00 H > ATOM 1016 2HE2 GLN B 17 15.544 12.004 -11.772 1.00 0.00 H > ATOM 1017 N ALA B 18 17.528 5.148 -11.814 1.00 0.00 N > ATOM 1018 CA ALA B 18 18.385 3.959 -11.924 1.00 0.00 C > ATOM 1019 C ALA B 18 17.792 2.915 -12.876 1.00 0.00 C > ATOM 1020 O ALA B 18 18.519 2.275 -13.647 1.00 0.00 O > ATOM 1021 CB ALA B 18 18.617 3.348 -10.549 1.00 0.00 C > ATOM 1022 H ALA B 18 17.124 5.382 -10.919 1.00 0.00 H > ATOM 1023 HA ALA B 18 19.346 4.258 -12.340 1.00 0.00 H > ATOM 1024 1HB ALA B 18 19.253 2.468 -10.646 1.00 0.00 H > ATOM 1025 2HB ALA B 18 19.104 4.078 -9.904 1.00 0.00 H > ATOM 1026 3HB ALA B 18 17.662 3.059 -10.114 1.00 0.00 H > ATOM 1027 N GLN B 19 16.473 2.737 -12.831 1.00 0.00 N > ATOM 1028 CA GLN B 19 15.805 1.802 -13.737 1.00 0.00 C > ATOM 1029 C GLN B 19 15.949 2.272 -15.193 1.00 0.00 C > ATOM 1030 O GLN B 19 16.270 1.467 -16.073 1.00 0.00 O > ATOM 1031 CB GLN B 19 14.325 1.660 -13.369 1.00 0.00 C > ATOM 1032 CG GLN B 19 14.076 0.917 -12.068 1.00 0.00 C > ATOM 1033 CD GLN B 19 12.617 0.946 -11.655 1.00 0.00 C > ATOM 1034 OE1 GLN B 19 11.867 1.849 -12.037 1.00 0.00 O > ATOM 1035 NE2 GLN B 19 12.205 -0.043 -10.871 1.00 0.00 N > ATOM 1036 H GLN B 19 15.920 3.253 -12.161 1.00 0.00 H > ATOM 1037 HA GLN B 19 16.277 0.821 -13.670 1.00 0.00 H > ATOM 1038 1HB GLN B 19 13.875 2.648 -13.284 1.00 0.00 H > ATOM 1039 2HB GLN B 19 13.802 1.129 -14.165 1.00 0.00 H > ATOM 1040 1HG GLN B 19 14.376 -0.124 -12.192 1.00 0.00 H > ATOM 1041 2HG GLN B 19 14.664 1.383 -11.277 1.00 0.00 H > ATOM 1042 1HE2 GLN B 19 11.252 -0.077 -10.566 1.00 0.00 H > ATOM 1043 2HE2 GLN B 19 12.846 -0.755 -10.585 1.00 0.00 H > ATOM 1044 N ALA B 20 15.733 3.566 -15.435 1.00 0.00 N > ATOM 1045 CA ALA B 20 15.885 4.149 -16.776 1.00 0.00 C > ATOM 1046 C ALA B 20 17.300 3.990 -17.335 1.00 0.00 C > ATOM 1047 O ALA B 20 17.472 3.781 -18.543 1.00 0.00 O > ATOM 1048 CB ALA B 20 15.497 5.620 -16.751 1.00 0.00 C > ATOM 1049 H ALA B 20 15.455 4.161 -14.668 1.00 0.00 H > ATOM 1050 HA ALA B 20 15.222 3.622 -17.463 1.00 0.00 H > ATOM 1051 1HB ALA B 20 15.612 6.042 -17.750 1.00 0.00 H > ATOM 1052 2HB ALA B 20 14.459 5.717 -16.435 1.00 0.00 H > ATOM 1053 3HB ALA B 20 16.141 6.153 -16.055 1.00 0.00 H > ATOM 1054 N ALA B 21 18.300 4.090 -16.457 1.00 0.00 N > ATOM 1055 CA ALA B 21 19.711 3.928 -16.832 1.00 0.00 C > ATOM 1056 C ALA B 21 20.151 2.460 -16.904 1.00 0.00 C > ATOM 1057 O ALA B 21 21.282 2.175 -17.300 1.00 0.00 O > ATOM 1058 CB ALA B 21 20.596 4.689 -15.854 1.00 0.00 C > ATOM 1059 H ALA B 21 18.067 4.287 -15.494 1.00 0.00 H > ATOM 1060 HA ALA B 21 19.857 4.337 -17.831 1.00 0.00 H > ATOM 1061 1HB ALA B 21 21.641 4.564 -16.137 1.00 0.00 H > ATOM 1062 2HB ALA B 21 20.338 5.748 -15.878 1.00 0.00 H > ATOM 1063 3HB ALA B 21 20.444 4.301 -14.849 1.00 0.00 H > ATOM 1064 N GLY B 22 19.276 1.532 -16.526 1.00 0.00 N > ATOM 1065 CA GLY B 22 19.632 0.114 -16.454 1.00 0.00 C > ATOM 1066 C GLY B 22 20.511 -0.258 -15.271 1.00 0.00 C > ATOM 1067 O GLY B 22 21.083 -1.346 -15.246 1.00 0.00 O > ATOM 1068 H GLY B 22 18.338 1.817 -16.283 1.00 0.00 H > ATOM 1069 1HA GLY B 22 18.721 -0.480 -16.380 1.00 0.00 H > ATOM 1070 2HA GLY B 22 20.172 -0.165 -17.358 1.00 0.00 H > ATOM 1071 N ARG B 23 20.606 0.637 -14.288 1.00 0.00 N > ATOM 1072 CA ARG B 23 21.510 0.450 -13.143 1.00 0.00 C > ATOM 1073 C ARG B 23 20.839 -0.405 -12.061 1.00 0.00 C > ATOM 1074 O ARG B 23 20.557 0.087 -10.960 1.00 0.00 O > ATOM 1075 CB ARG B 23 22.014 1.771 -12.581 1.00 0.00 C > ATOM 1076 CG ARG B 23 22.870 2.587 -13.537 1.00 0.00 C > ATOM 1077 CD ARG B 23 23.231 3.938 -13.034 1.00 0.00 C > ATOM 1078 NE ARG B 23 24.157 3.935 -11.914 1.00 0.00 N > ATOM 1079 CZ ARG B 23 24.490 5.025 -11.194 1.00 0.00 C > ATOM 1080 NH1 ARG B 23 24.007 6.209 -11.494 1.00 0.00 N > ATOM 1081 NH2 ARG B 23 25.337 4.874 -10.189 1.00 0.00 N > ATOM 1082 H ARG B 23 20.036 1.469 -14.334 1.00 0.00 H > ATOM 1083 HA ARG B 23 22.404 -0.086 -13.463 1.00 0.00 H > ATOM 1084 1HB ARG B 23 21.137 2.351 -12.297 1.00 0.00 H > ATOM 1085 2HB ARG B 23 22.596 1.534 -11.690 1.00 0.00 H > ATOM 1086 1HG ARG B 23 23.794 2.042 -13.728 1.00 0.00 H > ATOM 1087 2HG ARG B 23 22.322 2.711 -14.472 1.00 0.00 H > ATOM 1088 1HD ARG B 23 23.695 4.503 -13.841 1.00 0.00 H > ATOM 1089 2HD ARG B 23 22.325 4.447 -12.708 1.00 0.00 H > ATOM 1090 HE ARG B 23 24.677 3.167 -11.510 1.00 0.00 H > ATOM 1091 1HH1 ARG B 23 23.375 6.309 -12.276 1.00 0.00 H > ATOM 1092 2HH1 ARG B 23 24.269 7.012 -10.942 1.00 0.00 H > ATOM 1093 1HH2 ARG B 23 25.714 3.958 -9.983 1.00 0.00 H > ATOM 1094 2HH2 ARG B 23 25.604 5.672 -9.633 1.00 0.00 H > ATOM 1095 N MET B 24 20.607 -1.679 -12.373 1.00 0.00 N > ATOM 1096 CA MET B 24 19.865 -2.587 -11.487 1.00 0.00 C > ATOM 1097 C MET B 24 20.524 -2.815 -10.118 1.00 0.00 C > ATOM 1098 O MET B 24 19.826 -3.101 -9.141 1.00 0.00 O > ATOM 1099 CB MET B 24 19.670 -3.929 -12.189 1.00 0.00 C > ATOM 1100 CG MET B 24 18.678 -3.898 -13.343 1.00 0.00 C > ATOM 1101 SD MET B 24 17.093 -3.172 -12.879 1.00 0.00 S > ATOM 1102 CE MET B 24 16.575 -4.292 -11.581 1.00 0.00 C > ATOM 1103 H MET B 24 20.956 -2.030 -13.254 1.00 0.00 H > ATOM 1104 HA MET B 24 18.889 -2.162 -11.252 1.00 0.00 H > ATOM 1105 1HB MET B 24 20.647 -4.239 -12.558 1.00 0.00 H > ATOM 1106 2HB MET B 24 19.325 -4.636 -11.434 1.00 0.00 H > ATOM 1107 1HG MET B 24 19.116 -3.315 -14.152 1.00 0.00 H > ATOM 1108 2HG MET B 24 18.517 -4.923 -13.680 1.00 0.00 H > ATOM 1109 1HE MET B 24 15.608 -3.975 -11.191 1.00 0.00 H > ATOM 1110 2HE MET B 24 16.491 -5.303 -11.985 1.00 0.00 H > ATOM 1111 3HE MET B 24 17.311 -4.283 -10.777 1.00 0.00 H > ATOM 1112 N ASP B 25 21.850 -2.703 -10.043 1.00 0.00 N > ATOM 1113 CA ASP B 25 22.529 -2.805 -8.751 1.00 0.00 C > ATOM 1114 C ASP B 25 22.065 -1.691 -7.814 1.00 0.00 C > ATOM 1115 O ASP B 25 21.833 -1.928 -6.622 1.00 0.00 O > ATOM 1116 CB ASP B 25 24.048 -2.747 -8.932 1.00 0.00 C > ATOM 1117 CG ASP B 25 24.654 -3.989 -9.571 1.00 0.00 C > ATOM 1118 OD1 ASP B 25 23.978 -4.988 -9.640 1.00 0.00 O > ATOM 1119 OD2 ASP B 25 25.723 -3.887 -10.125 1.00 0.00 O > ATOM 1120 H ASP B 25 22.399 -2.548 -10.876 1.00 0.00 H > ATOM 1121 HA ASP B 25 22.274 -3.751 -8.273 1.00 0.00 H > ATOM 1122 1HB ASP B 25 24.388 -1.861 -9.469 1.00 0.00 H > ATOM 1123 2HB ASP B 25 24.363 -2.684 -7.890 1.00 0.00 H > ATOM 1124 N GLU B 26 21.916 -0.488 -8.369 1.00 0.00 N > ATOM 1125 CA GLU B 26 21.421 0.681 -7.626 1.00 0.00 C > ATOM 1126 C GLU B 26 19.927 0.564 -7.339 1.00 0.00 C > ATOM 1127 O GLU B 26 19.452 0.965 -6.274 1.00 0.00 O > ATOM 1128 CB GLU B 26 21.703 1.971 -8.400 1.00 0.00 C > ATOM 1129 CG GLU B 26 23.180 2.297 -8.562 1.00 0.00 C > ATOM 1130 CD GLU B 26 23.833 2.549 -7.231 1.00 0.00 C > ATOM 1131 OE1 GLU B 26 23.309 3.328 -6.472 1.00 0.00 O > ATOM 1132 OE2 GLU B 26 24.792 1.879 -6.926 1.00 0.00 O > ATOM 1133 H GLU B 26 22.157 -0.386 -9.345 1.00 0.00 H > ATOM 1134 HA GLU B 26 21.919 0.742 -6.658 1.00 0.00 H > ATOM 1135 1HB GLU B 26 21.247 1.857 -9.385 1.00 0.00 H > ATOM 1136 2HB GLU B 26 21.209 2.780 -7.862 1.00 0.00 H > ATOM 1137 1HG GLU B 26 23.737 1.529 -9.100 1.00 0.00 H > ATOM 1138 2HG GLU B 26 23.177 3.217 -9.145 1.00 0.00 H > ATOM 1139 N VAL B 27 19.175 0.025 -8.294 1.00 0.00 N > ATOM 1140 CA VAL B 27 17.743 -0.185 -8.083 1.00 0.00 C > ATOM 1141 C VAL B 27 17.487 -1.090 -6.870 1.00 0.00 C > ATOM 1142 O VAL B 27 16.632 -0.771 -6.047 1.00 0.00 O > ATOM 1143 CB VAL B 27 17.076 -0.804 -9.326 1.00 0.00 C > ATOM 1144 CG1 VAL B 27 15.650 -1.228 -9.010 1.00 0.00 C > ATOM 1145 CG2 VAL B 27 17.093 0.180 -10.486 1.00 0.00 C > ATOM 1146 H VAL B 27 19.588 -0.245 -9.176 1.00 0.00 H > ATOM 1147 HA VAL B 27 17.236 0.750 -7.845 1.00 0.00 H > ATOM 1148 HB VAL B 27 17.651 -1.675 -9.641 1.00 0.00 H > ATOM 1149 1HG1 VAL B 27 15.193 -1.663 -9.900 1.00 0.00 H > ATOM 1150 2HG1 VAL B 27 15.659 -1.968 -8.209 1.00 0.00 H > ATOM 1151 3HG1 VAL B 27 15.073 -0.359 -8.696 1.00 0.00 H > ATOM 1152 1HG2 VAL B 27 16.619 -0.273 -11.355 1.00 0.00 H > ATOM 1153 2HG2 VAL B 27 16.550 1.082 -10.205 1.00 0.00 H > ATOM 1154 3HG2 VAL B 27 18.124 0.437 -10.729 1.00 0.00 H > ATOM 1155 N ARG B 28 18.212 -2.206 -6.747 1.00 0.00 N > ATOM 1156 CA ARG B 28 18.043 -3.090 -5.577 1.00 0.00 C > ATOM 1157 C ARG B 28 18.436 -2.441 -4.249 1.00 0.00 C > ATOM 1158 O ARG B 28 17.695 -2.554 -3.270 1.00 0.00 O > ATOM 1159 CB ARG B 28 18.776 -4.410 -5.763 1.00 0.00 C > ATOM 1160 CG ARG B 28 18.184 -5.326 -6.823 1.00 0.00 C > ATOM 1161 CD ARG B 28 19.006 -6.526 -7.122 1.00 0.00 C > ATOM 1162 NE ARG B 28 18.450 -7.397 -8.146 1.00 0.00 N > ATOM 1163 CZ ARG B 28 19.095 -8.449 -8.688 1.00 0.00 C > ATOM 1164 NH1 ARG B 28 20.329 -8.741 -8.338 1.00 0.00 N > ATOM 1165 NH2 ARG B 28 18.463 -9.166 -9.601 1.00 0.00 N > ATOM 1166 H ARG B 28 18.886 -2.454 -7.458 1.00 0.00 H > ATOM 1167 HA ARG B 28 16.990 -3.352 -5.462 1.00 0.00 H > ATOM 1168 1HB ARG B 28 19.804 -4.168 -6.030 1.00 0.00 H > ATOM 1169 2HB ARG B 28 18.761 -4.920 -4.800 1.00 0.00 H > ATOM 1170 1HG ARG B 28 17.206 -5.666 -6.483 1.00 0.00 H > ATOM 1171 2HG ARG B 28 18.070 -4.758 -7.747 1.00 0.00 H > ATOM 1172 1HD ARG B 28 19.990 -6.206 -7.465 1.00 0.00 H > ATOM 1173 2HD ARG B 28 19.113 -7.118 -6.213 1.00 0.00 H > ATOM 1174 HE ARG B 28 17.546 -7.367 -8.597 1.00 0.00 H > ATOM 1175 1HH1 ARG B 28 20.805 -8.172 -7.653 1.00 0.00 H > ATOM 1176 2HH1 ARG B 28 20.795 -9.533 -8.757 1.00 0.00 H > ATOM 1177 1HH2 ARG B 28 17.522 -8.917 -9.872 1.00 0.00 H > ATOM 1178 2HH2 ARG B 28 18.924 -9.959 -10.024 1.00 0.00 H > ATOM 1179 N THR B 29 19.579 -1.759 -4.197 1.00 0.00 N > ATOM 1180 CA THR B 29 19.971 -1.100 -2.951 1.00 0.00 C > ATOM 1181 C THR B 29 18.989 0.021 -2.594 1.00 0.00 C > ATOM 1182 O THR B 29 18.557 0.104 -1.439 1.00 0.00 O > ATOM 1183 CB THR B 29 21.393 -0.516 -3.041 1.00 0.00 C > ATOM 1184 OG1 THR B 29 22.336 -1.578 -3.234 1.00 0.00 O > ATOM 1185 CG2 THR B 29 21.741 0.242 -1.769 1.00 0.00 C > ATOM 1186 H THR B 29 20.184 -1.688 -5.003 1.00 0.00 H > ATOM 1187 HA THR B 29 19.939 -1.816 -2.128 1.00 0.00 H > ATOM 1188 HB THR B 29 21.444 0.162 -3.893 1.00 0.00 H > ATOM 1189 HG1 THR B 29 21.869 -2.415 -3.291 1.00 0.00 H > ATOM 1190 1HG2 THR B 29 22.749 0.646 -1.853 1.00 0.00 H > ATOM 1191 2HG2 THR B 29 21.031 1.057 -1.627 1.00 0.00 H > ATOM 1192 3HG2 THR B 29 21.691 -0.435 -0.918 1.00 0.00 H > ATOM 1193 N LEU B 30 18.632 0.863 -3.570 1.00 0.00 N > ATOM 1194 CA LEU B 30 17.689 1.970 -3.318 1.00 0.00 C > ATOM 1195 C LEU B 30 16.287 1.470 -2.926 1.00 0.00 C > ATOM 1196 O LEU B 30 15.638 2.066 -2.063 1.00 0.00 O > ATOM 1197 CB LEU B 30 17.597 2.870 -4.557 1.00 0.00 C > ATOM 1198 CG LEU B 30 18.876 3.645 -4.898 1.00 0.00 C > ATOM 1199 CD1 LEU B 30 18.775 4.231 -6.299 1.00 0.00 C > ATOM 1200 CD2 LEU B 30 19.095 4.744 -3.869 1.00 0.00 C > ATOM 1201 H LEU B 30 19.013 0.742 -4.497 1.00 0.00 H > ATOM 1202 HA LEU B 30 18.038 2.562 -2.473 1.00 0.00 H > ATOM 1203 1HB LEU B 30 17.408 2.110 -5.313 1.00 0.00 H > ATOM 1204 2HB LEU B 30 16.745 3.547 -4.502 1.00 0.00 H > ATOM 1205 HG LEU B 30 19.709 2.945 -4.820 1.00 0.00 H > ATOM 1206 1HD1 LEU B 30 19.688 4.778 -6.532 1.00 0.00 H > ATOM 1207 2HD1 LEU B 30 18.643 3.424 -7.021 1.00 0.00 H > ATOM 1208 3HD1 LEU B 30 17.923 4.907 -6.349 1.00 0.00 H > ATOM 1209 1HD2 LEU B 30 20.005 5.293 -4.111 1.00 0.00 H > ATOM 1210 2HD2 LEU B 30 18.245 5.426 -3.878 1.00 0.00 H > ATOM 1211 3HD2 LEU B 30 19.193 4.300 -2.877 1.00 0.00 H > ATOM 1212 N GLN B 31 15.808 0.406 -3.567 1.00 0.00 N > ATOM 1213 CA GLN B 31 14.482 -0.122 -3.226 1.00 0.00 C > ATOM 1214 C GLN B 31 14.416 -0.593 -1.772 1.00 0.00 C > ATOM 1215 O GLN B 31 13.422 -0.343 -1.087 1.00 0.00 O > ATOM 1216 CB GLN B 31 14.114 -1.280 -4.158 1.00 0.00 C > ATOM 1217 CG GLN B 31 12.686 -1.776 -4.000 1.00 0.00 C > ATOM 1218 CD GLN B 31 11.665 -0.762 -4.479 1.00 0.00 C > ATOM 1219 OE1 GLN B 31 11.712 -0.307 -5.625 1.00 0.00 O > ATOM 1220 NE2 GLN B 31 10.737 -0.399 -3.602 1.00 0.00 N > ATOM 1221 H GLN B 31 16.347 -0.049 -4.291 1.00 0.00 H > ATOM 1222 HA GLN B 31 13.738 0.669 -3.324 1.00 0.00 H > ATOM 1223 1HB GLN B 31 14.272 -0.927 -5.177 1.00 0.00 H > ATOM 1224 2HB GLN B 31 14.811 -2.090 -3.944 1.00 0.00 H > ATOM 1225 1HG GLN B 31 12.363 -2.762 -4.336 1.00 0.00 H > ATOM 1226 2HG GLN B 31 12.708 -1.756 -2.909 1.00 0.00 H > ATOM 1227 1HE2 GLN B 31 10.037 0.267 -3.861 1.00 0.00 H > ATOM 1228 2HE2 GLN B 31 10.736 -0.792 -2.682 1.00 0.00 H > ATOM 1229 N GLU B 32 15.471 -1.249 -1.291 1.00 0.00 N > ATOM 1230 CA GLU B 32 15.564 -1.630 0.118 1.00 0.00 C > ATOM 1231 C GLU B 32 15.631 -0.398 1.036 1.00 0.00 C > ATOM 1232 O GLU B 32 14.974 -0.370 2.077 1.00 0.00 O > ATOM 1233 CB GLU B 32 16.785 -2.523 0.345 1.00 0.00 C > ATOM 1234 CG GLU B 32 16.661 -3.920 -0.246 1.00 0.00 C > ATOM 1235 CD GLU B 32 17.929 -4.707 -0.061 1.00 0.00 C > ATOM 1236 OE1 GLU B 32 18.890 -4.147 0.411 1.00 0.00 O > ATOM 1237 OE2 GLU B 32 17.905 -5.894 -0.283 1.00 0.00 O > ATOM 1238 H GLU B 32 16.227 -1.490 -1.917 1.00 0.00 H > ATOM 1239 HA GLU B 32 14.669 -2.179 0.412 1.00 0.00 H > ATOM 1240 1HB GLU B 32 17.639 -2.015 -0.103 1.00 0.00 H > ATOM 1241 2HB GLU B 32 16.931 -2.598 1.422 1.00 0.00 H > ATOM 1242 1HG GLU B 32 15.822 -4.488 0.154 1.00 0.00 H > ATOM 1243 2HG GLU B 32 16.501 -3.737 -1.308 1.00 0.00 H > ATOM 1244 N ASN B 33 16.389 0.627 0.645 1.00 0.00 N > ATOM 1245 CA ASN B 33 16.473 1.861 1.433 1.00 0.00 C > ATOM 1246 C ASN B 33 15.111 2.537 1.568 1.00 0.00 C > ATOM 1247 O ASN B 33 14.756 3.033 2.640 1.00 0.00 O > ATOM 1248 CB ASN B 33 17.479 2.830 0.839 1.00 0.00 C > ATOM 1249 CG ASN B 33 18.911 2.430 1.063 1.00 0.00 C > ATOM 1250 OD1 ASN B 33 19.217 1.609 1.935 1.00 0.00 O > ATOM 1251 ND2 ASN B 33 19.795 3.065 0.337 1.00 0.00 N > ATOM 1252 H ASN B 33 16.918 0.553 -0.213 1.00 0.00 H > ATOM 1253 HA ASN B 33 16.801 1.629 2.448 1.00 0.00 H > ATOM 1254 1HB ASN B 33 17.365 3.196 -0.182 1.00 0.00 H > ATOM 1255 2HB ASN B 33 17.222 3.623 1.540 1.00 0.00 H > ATOM 1256 1HD2 ASN B 33 20.767 2.849 0.433 1.00 0.00 H > ATOM 1257 2HD2 ASN B 33 19.498 3.764 -0.312 1.00 0.00 H > ATOM 1258 N LEU B 34 14.371 2.571 0.459 1.00 0.00 N > ATOM 1259 CA LEU B 34 13.046 3.206 0.409 1.00 0.00 C > ATOM 1260 C LEU B 34 12.072 2.546 1.383 1.00 0.00 C > ATOM 1261 O LEU B 34 11.380 3.239 2.129 1.00 0.00 O > ATOM 1262 CB LEU B 34 12.485 3.153 -1.018 1.00 0.00 C > ATOM 1263 CG LEU B 34 11.129 3.844 -1.212 1.00 0.00 C > ATOM 1264 CD1 LEU B 34 11.257 5.333 -0.920 1.00 0.00 C > ATOM 1265 CD2 LEU B 34 10.640 3.614 -2.634 1.00 0.00 C > ATOM 1266 H LEU B 34 14.742 2.139 -0.375 1.00 0.00 H > ATOM 1267 HA LEU B 34 13.129 4.247 0.717 1.00 0.00 H > ATOM 1268 1HB LEU B 34 13.266 3.708 -1.536 1.00 0.00 H > ATOM 1269 2HB LEU B 34 12.451 2.132 -1.400 1.00 0.00 H > ATOM 1270 HG LEU B 34 10.422 3.366 -0.535 1.00 0.00 H > ATOM 1271 1HD1 LEU B 34 10.289 5.815 -1.060 1.00 0.00 H > ATOM 1272 2HD1 LEU B 34 11.586 5.475 0.110 1.00 0.00 H > ATOM 1273 3HD1 LEU B 34 11.984 5.776 -1.598 1.00 0.00 H > ATOM 1274 1HD2 LEU B 34 9.677 4.104 -2.771 1.00 0.00 H > ATOM 1275 2HD2 LEU B 34 11.362 4.027 -3.339 1.00 0.00 H > ATOM 1276 3HD2 LEU B 34 10.530 2.544 -2.812 1.00 0.00 H > ATOM 1277 N HIS B 35 12.012 1.183 1.382 1.00 0.00 N > ATOM 1278 CA HIS B 35 11.115 0.456 2.277 1.00 0.00 C > ATOM 1279 C HIS B 35 11.489 0.686 3.721 1.00 0.00 C > ATOM 1280 O HIS B 35 10.612 0.861 4.575 1.00 0.00 O > ATOM 1281 CB HIS B 35 11.131 -1.045 1.967 1.00 0.00 C > ATOM 1282 CG HIS B 35 10.067 -1.818 2.681 1.00 0.00 C > ATOM 1283 ND1 HIS B 35 9.625 -3.051 2.249 1.00 0.00 N > ATOM 1284 CD2 HIS B 35 9.355 -1.534 3.798 1.00 0.00 C > ATOM 1285 CE1 HIS B 35 8.689 -3.492 3.069 1.00 0.00 C > ATOM 1286 NE2 HIS B 35 8.507 -2.591 4.017 1.00 0.00 N > ATOM 1287 H HIS B 35 12.602 0.663 0.749 1.00 0.00 H > ATOM 1288 HA HIS B 35 10.095 0.820 2.153 1.00 0.00 H > ATOM 1289 1HB HIS B 35 10.974 -1.212 0.901 1.00 0.00 H > ATOM 1290 2HB HIS B 35 12.086 -1.478 2.264 1.00 0.00 H > ATOM 1291 HD1 HIS B 35 10.001 -3.579 1.488 1.00 0.00 H > ATOM 1292 HD2 HIS B 35 9.356 -0.684 4.479 1.00 0.00 H > ATOM 1293 HE1 HIS B 35 8.211 -4.457 2.898 1.00 0.00 H > ATOM 1294 N GLN B 36 12.782 0.643 4.016 1.00 0.00 N > ATOM 1295 CA GLN B 36 13.276 0.900 5.367 1.00 0.00 C > ATOM 1296 C GLN B 36 12.989 2.334 5.834 1.00 0.00 C > ATOM 1297 O GLN B 36 12.620 2.540 6.999 1.00 0.00 O > ATOM 1298 CB GLN B 36 14.782 0.632 5.434 1.00 0.00 C > ATOM 1299 CG GLN B 36 15.160 -0.834 5.307 1.00 0.00 C > ATOM 1300 CD GLN B 36 16.653 -1.034 5.128 1.00 0.00 C > ATOM 1301 OE1 GLN B 36 17.410 -0.069 4.991 1.00 0.00 O > ATOM 1302 NE2 GLN B 36 17.084 -2.289 5.125 1.00 0.00 N > ATOM 1303 H GLN B 36 13.442 0.425 3.284 1.00 0.00 H > ATOM 1304 HA GLN B 36 12.760 0.250 6.074 1.00 0.00 H > ATOM 1305 1HB GLN B 36 15.239 1.202 4.626 1.00 0.00 H > ATOM 1306 2HB GLN B 36 15.128 1.019 6.392 1.00 0.00 H > ATOM 1307 1HG GLN B 36 14.801 -1.599 5.996 1.00 0.00 H > ATOM 1308 2HG GLN B 36 14.676 -0.965 4.338 1.00 0.00 H > ATOM 1309 1HE2 GLN B 36 18.060 -2.485 5.010 1.00 0.00 H > ATOM 1310 2HE2 GLN B 36 16.436 -3.042 5.237 1.00 0.00 H > ATOM 1311 N LEU B 37 13.125 3.321 4.939 1.00 0.00 N > ATOM 1312 CA LEU B 37 12.785 4.709 5.275 1.00 0.00 C > ATOM 1313 C LEU B 37 11.310 4.863 5.637 1.00 0.00 C > ATOM 1314 O LEU B 37 10.973 5.632 6.539 1.00 0.00 O > ATOM 1315 CB LEU B 37 13.140 5.636 4.106 1.00 0.00 C > ATOM 1316 CG LEU B 37 14.640 5.879 3.898 1.00 0.00 C > ATOM 1317 CD1 LEU B 37 14.881 6.509 2.532 1.00 0.00 C > ATOM 1318 CD2 LEU B 37 15.168 6.778 5.006 1.00 0.00 C > ATOM 1319 H LEU B 37 13.469 3.108 4.013 1.00 0.00 H > ATOM 1320 HA LEU B 37 13.345 5.019 6.156 1.00 0.00 H > ATOM 1321 1HB LEU B 37 12.739 5.045 3.284 1.00 0.00 H > ATOM 1322 2HB LEU B 37 12.605 6.584 4.166 1.00 0.00 H > ATOM 1323 HG LEU B 37 15.140 4.914 3.984 1.00 0.00 H > ATOM 1324 1HD1 LEU B 37 15.949 6.677 2.392 1.00 0.00 H > ATOM 1325 2HD1 LEU B 37 14.516 5.839 1.753 1.00 0.00 H > ATOM 1326 3HD1 LEU B 37 14.353 7.459 2.471 1.00 0.00 H > ATOM 1327 1HD2 LEU B 37 16.234 6.950 4.857 1.00 0.00 H > ATOM 1328 2HD2 LEU B 37 14.640 7.731 4.985 1.00 0.00 H > ATOM 1329 3HD2 LEU B 37 15.010 6.297 5.972 1.00 0.00 H > ATOM 1330 N GLN B 38 10.432 4.143 4.940 1.00 0.00 N > ATOM 1331 CA GLN B 38 9.008 4.191 5.259 1.00 0.00 C > ATOM 1332 C GLN B 38 8.751 3.754 6.701 1.00 0.00 C > ATOM 1333 O GLN B 38 7.914 4.352 7.378 1.00 0.00 O > ATOM 1334 CB GLN B 38 8.214 3.300 4.300 1.00 0.00 C > ATOM 1335 CG GLN B 38 6.709 3.479 4.387 1.00 0.00 C > ATOM 1336 CD GLN B 38 6.255 4.834 3.879 1.00 0.00 C > ATOM 1337 OE1 GLN B 38 6.569 5.226 2.751 1.00 0.00 O > ATOM 1338 NE2 GLN B 38 5.518 5.560 4.710 1.00 0.00 N > ATOM 1339 H GLN B 38 10.747 3.556 4.180 1.00 0.00 H > ATOM 1340 HA GLN B 38 8.650 5.216 5.178 1.00 0.00 H > ATOM 1341 1HB GLN B 38 8.557 3.539 3.292 1.00 0.00 H > ATOM 1342 2HB GLN B 38 8.477 2.269 4.536 1.00 0.00 H > ATOM 1343 1HG GLN B 38 6.004 2.731 4.023 1.00 0.00 H > ATOM 1344 2HG GLN B 38 6.687 3.494 5.477 1.00 0.00 H > ATOM 1345 1HE2 GLN B 38 5.190 6.463 4.429 1.00 0.00 H > ATOM 1346 2HE2 GLN B 38 5.289 5.205 5.617 1.00 0.00 H > ATOM 1347 N HIS B 39 9.479 2.721 7.198 1.00 0.00 N > ATOM 1348 CA HIS B 39 9.293 2.314 8.588 1.00 0.00 C > ATOM 1349 C HIS B 39 9.675 3.428 9.532 1.00 0.00 C > ATOM 1350 O HIS B 39 8.940 3.714 10.482 1.00 0.00 O > ATOM 1351 CB HIS B 39 10.113 1.057 8.901 1.00 0.00 C > ATOM 1352 CG HIS B 39 9.511 -0.203 8.364 1.00 0.00 C > ATOM 1353 ND1 HIS B 39 9.762 -1.441 8.918 1.00 0.00 N > ATOM 1354 CD2 HIS B 39 8.671 -0.417 7.324 1.00 0.00 C > ATOM 1355 CE1 HIS B 39 9.099 -2.364 8.240 1.00 0.00 C > ATOM 1356 NE2 HIS B 39 8.431 -1.769 7.270 1.00 0.00 N > ATOM 1357 H HIS B 39 10.148 2.225 6.625 1.00 0.00 H > ATOM 1358 HA HIS B 39 8.241 2.092 8.770 1.00 0.00 H > ATOM 1359 1HB HIS B 39 11.109 1.139 8.462 1.00 0.00 H > ATOM 1360 2HB HIS B 39 10.201 0.927 9.979 1.00 0.00 H > ATOM 1361 HD1 HIS B 39 10.286 -1.623 9.749 1.00 0.00 H > ATOM 1362 HD2 HIS B 39 8.204 0.249 6.599 1.00 0.00 H > ATOM 1363 HE1 HIS B 39 9.165 -3.415 8.525 1.00 0.00 H > ATOM 1364 N GLU B 40 10.840 4.036 9.320 1.00 0.00 N > ATOM 1365 CA GLU B 40 11.285 5.119 10.195 1.00 0.00 C > ATOM 1366 C GLU B 40 10.283 6.279 10.210 1.00 0.00 C > ATOM 1367 O GLU B 40 9.983 6.836 11.277 1.00 0.00 O > ATOM 1368 CB GLU B 40 12.664 5.621 9.761 1.00 0.00 C > ATOM 1369 CG GLU B 40 13.291 6.636 10.706 1.00 0.00 C > ATOM 1370 CD GLU B 40 14.685 6.995 10.275 1.00 0.00 C > ATOM 1371 OE1 GLU B 40 15.129 6.480 9.277 1.00 0.00 O > ATOM 1372 OE2 GLU B 40 15.266 7.867 10.878 1.00 0.00 O > ATOM 1373 H GLU B 40 11.428 3.752 8.549 1.00 0.00 H > ATOM 1374 HA GLU B 40 11.352 4.760 11.223 1.00 0.00 H > ATOM 1375 1HB GLU B 40 13.312 4.747 9.686 1.00 0.00 H > ATOM 1376 2HB GLU B 40 12.544 6.069 8.774 1.00 0.00 H > ATOM 1377 1HG GLU B 40 12.701 7.544 10.819 1.00 0.00 H > ATOM 1378 2HG GLU B 40 13.330 6.108 11.658 1.00 0.00 H > ATOM 1379 N TYR B 41 9.774 6.647 9.034 1.00 0.00 N > ATOM 1380 CA TYR B 41 8.740 7.688 8.931 1.00 0.00 C > ATOM 1381 C TYR B 41 7.476 7.284 9.699 1.00 0.00 C > ATOM 1382 O TYR B 41 6.979 8.053 10.535 1.00 0.00 O > ATOM 1383 CB TYR B 41 8.397 7.963 7.464 1.00 0.00 C > ATOM 1384 CG TYR B 41 7.337 9.024 7.272 1.00 0.00 C > ATOM 1385 CD1 TYR B 41 7.641 10.370 7.415 1.00 0.00 C > ATOM 1386 CD2 TYR B 41 6.035 8.677 6.945 1.00 0.00 C > ATOM 1387 CE1 TYR B 41 6.677 11.343 7.240 1.00 0.00 C > ATOM 1388 CE2 TYR B 41 5.063 9.641 6.766 1.00 0.00 C > ATOM 1389 CZ TYR B 41 5.387 10.975 6.915 1.00 0.00 C > ATOM 1390 OH TYR B 41 4.422 11.939 6.737 1.00 0.00 O > ATOM 1391 H TYR B 41 10.107 6.200 8.192 1.00 0.00 H > ATOM 1392 HA TYR B 41 9.099 8.612 9.382 1.00 0.00 H > ATOM 1393 1HB TYR B 41 9.319 8.275 6.971 1.00 0.00 H > ATOM 1394 2HB TYR B 41 8.055 7.023 7.032 1.00 0.00 H > ATOM 1395 HD1 TYR B 41 8.662 10.653 7.672 1.00 0.00 H > ATOM 1396 HD2 TYR B 41 5.784 7.622 6.830 1.00 0.00 H > ATOM 1397 HE1 TYR B 41 6.930 12.396 7.356 1.00 0.00 H > ATOM 1398 HE2 TYR B 41 4.045 9.347 6.509 1.00 0.00 H > ATOM 1399 HH TYR B 41 3.562 11.573 6.520 1.00 0.00 H > ATOM 1400 N ASP B 42 6.963 6.085 9.423 1.00 0.00 N > ATOM 1401 CA ASP B 42 5.733 5.601 10.062 1.00 0.00 C > ATOM 1402 C ASP B 42 5.847 5.608 11.591 1.00 0.00 C > ATOM 1403 O ASP B 42 4.920 6.045 12.280 1.00 0.00 O > ATOM 1404 CB ASP B 42 5.396 4.191 9.571 1.00 0.00 C > ATOM 1405 CG ASP B 42 4.929 4.124 8.123 1.00 0.00 C > ATOM 1406 OD1 ASP B 42 4.648 5.156 7.562 1.00 0.00 O > ATOM 1407 OD2 ASP B 42 5.006 3.067 7.544 1.00 0.00 O > ATOM 1408 H ASP B 42 7.435 5.493 8.753 1.00 0.00 H > ATOM 1409 HA ASP B 42 4.904 6.264 9.815 1.00 0.00 H > ATOM 1410 1HB ASP B 42 6.201 3.472 9.726 1.00 0.00 H > ATOM 1411 2HB ASP B 42 4.563 3.952 10.232 1.00 0.00 H > ATOM 1412 N GLN B 43 6.976 5.133 12.115 1.00 0.00 N > ATOM 1413 CA GLN B 43 7.194 5.110 13.566 1.00 0.00 C > ATOM 1414 C GLN B 43 7.211 6.523 14.165 1.00 0.00 C > ATOM 1415 O GLN B 43 6.677 6.740 15.259 1.00 0.00 O > ATOM 1416 CB GLN B 43 8.510 4.399 13.892 1.00 0.00 C > ATOM 1417 CG GLN B 43 8.481 2.897 13.661 1.00 0.00 C > ATOM 1418 CD GLN B 43 9.859 2.270 13.760 1.00 0.00 C > ATOM 1419 OE1 GLN B 43 10.867 2.970 13.882 1.00 0.00 O > ATOM 1420 NE2 GLN B 43 9.909 0.944 13.702 1.00 0.00 N > ATOM 1421 H GLN B 43 7.698 4.781 11.503 1.00 0.00 H > ATOM 1422 HA GLN B 43 6.371 4.585 14.050 1.00 0.00 H > ATOM 1423 1HB GLN B 43 9.277 4.853 13.265 1.00 0.00 H > ATOM 1424 2HB GLN B 43 8.729 4.605 14.939 1.00 0.00 H > ATOM 1425 1HG GLN B 43 7.775 2.237 14.165 1.00 0.00 H > ATOM 1426 2HG GLN B 43 8.213 2.977 12.607 1.00 0.00 H > ATOM 1427 1HE2 GLN B 43 10.790 0.472 13.762 1.00 0.00 H > ATOM 1428 2HE2 GLN B 43 9.066 0.415 13.599 1.00 0.00 H > ATOM 1429 N GLN B 44 7.797 7.479 13.446 1.00 0.00 N > ATOM 1430 CA GLN B 44 7.820 8.874 13.891 1.00 0.00 C > ATOM 1431 C GLN B 44 6.416 9.496 13.884 1.00 0.00 C > ATOM 1432 O GLN B 44 6.103 10.335 14.728 1.00 0.00 O > ATOM 1433 CB GLN B 44 8.753 9.699 13.001 1.00 0.00 C > ATOM 1434 CG GLN B 44 8.992 11.117 13.493 1.00 0.00 C > ATOM 1435 CD GLN B 44 9.717 11.152 14.824 1.00 0.00 C > ATOM 1436 OE1 GLN B 44 10.782 10.548 14.984 1.00 0.00 O > ATOM 1437 NE2 GLN B 44 9.143 11.859 15.792 1.00 0.00 N > ATOM 1438 H GLN B 44 8.238 7.234 12.571 1.00 0.00 H > ATOM 1439 HA GLN B 44 8.168 8.922 14.923 1.00 0.00 H > ATOM 1440 1HB GLN B 44 9.701 9.160 12.954 1.00 0.00 H > ATOM 1441 2HB GLN B 44 8.301 9.725 12.009 1.00 0.00 H > ATOM 1442 1HG GLN B 44 9.413 11.897 12.861 1.00 0.00 H > ATOM 1443 2HG GLN B 44 7.936 11.325 13.669 1.00 0.00 H > ATOM 1444 1HE2 GLN B 44 9.575 11.918 16.692 1.00 0.00 H > ATOM 1445 2HE2 GLN B 44 8.279 12.331 15.620 1.00 0.00 H > ATOM 1446 N GLN B 45 5.581 9.079 12.933 1.00 0.00 N > ATOM 1447 CA GLN B 45 4.217 9.601 12.793 1.00 0.00 C > ATOM 1448 C GLN B 45 3.254 8.936 13.780 1.00 0.00 C > ATOM 1449 O GLN B 45 2.277 9.551 14.207 1.00 0.00 O > ATOM 1450 CB GLN B 45 3.709 9.393 11.364 1.00 0.00 C > ATOM 1451 CG GLN B 45 4.457 10.198 10.315 1.00 0.00 C > ATOM 1452 CD GLN B 45 4.279 11.693 10.498 1.00 0.00 C > ATOM 1453 OE1 GLN B 45 3.154 12.193 10.578 1.00 0.00 O > ATOM 1454 NE2 GLN B 45 5.391 12.418 10.561 1.00 0.00 N > ATOM 1455 H GLN B 45 5.909 8.375 12.286 1.00 0.00 H > ATOM 1456 HA GLN B 45 4.207 10.665 13.027 1.00 0.00 H > ATOM 1457 1HB GLN B 45 3.803 8.328 11.148 1.00 0.00 H > ATOM 1458 2HB GLN B 45 2.656 9.672 11.360 1.00 0.00 H > ATOM 1459 1HG GLN B 45 5.502 10.014 10.064 1.00 0.00 H > ATOM 1460 2HG GLN B 45 3.824 9.873 9.488 1.00 0.00 H > ATOM 1461 1HE2 GLN B 45 5.335 13.410 10.681 1.00 0.00 H > ATOM 1462 2HE2 GLN B 45 6.284 11.972 10.490 1.00 0.00 H > ATOM 1463 N THR B 46 3.533 7.681 14.132 1.00 0.00 N > ATOM 1464 CA THR B 46 2.696 6.916 15.062 1.00 0.00 C > ATOM 1465 C THR B 46 3.149 7.105 16.506 1.00 0.00 C > ATOM 1466 O THR B 46 3.522 8.203 16.913 1.00 0.00 O > ATOM 1467 OXT THR B 46 3.145 6.174 17.263 1.00 0.00 O > ATOM 1468 CB THR B 46 2.707 5.413 14.729 1.00 0.00 C > ATOM 1469 OG1 THR B 46 2.163 5.207 13.419 1.00 0.00 O > ATOM 1470 CG2 THR B 46 1.884 4.635 15.743 1.00 0.00 C > ATOM 1471 H THR B 46 4.355 7.245 13.739 1.00 0.00 H > ATOM 1472 HA THR B 46 1.668 7.275 15.014 1.00 0.00 H > ATOM 1473 HB THR B 46 3.736 5.053 14.746 1.00 0.00 H > ATOM 1474 HG1 THR B 46 1.986 6.057 13.009 1.00 0.00 H > ATOM 1475 1HG2 THR B 46 1.904 3.574 15.490 1.00 0.00 H > ATOM 1476 2HG2 THR B 46 2.302 4.779 16.738 1.00 0.00 H > ATOM 1477 3HG2 THR B 46 0.856 4.991 15.725 1.00 0.00 H > TER > HETATM 1479 ZN ZN B 47 7.218 5.199 -8.627 1.00 0.00 ZN 1504,1551c1496,1543 < pose -512.865 61.7153 379.601 1.35051 24.3805 -19.3655 -210.87 1.53853 -79.587 -1.82012 0 -2.41127 0 2.32374 10.3491 4.5619 6.49395 145.079 -7.97261 1e-05 -7.2821 9.1313 -141 -336.649 < GLY:NtermProteinFull_1 -6.26454 0.73264 5.61933 0.00039 0 -0.14468 -0.58796 0 0 0 0 0 0 0 0 0 0.32102 0 0 0 1.59632 0 -3 -1.72748 < SER_2 -5.54523 2.52059 5.69634 0.00389 0.04638 -0.51255 -1.84535 0.02909 0 0 0 0 0 0 0 0 -0.00977 1.21878 0.59009 0 -0.57938 10.3484 -3 8.96127 < PRO_3 -7.41572 2.20559 4.90751 0.00502 0.08673 -0.30247 -0.43481 1.50944 0 0 0 0 0 0 0 0 0.07266 1.26854 -0.15079 0 -3.28642 9.94281 -3 5.40809 < LEU_4 -13.7957 1.5639 7.70354 0.03705 0.14848 -0.53925 -2.78826 0 0 0 0 0 0 0 0 0 0.14912 1.01694 -0.36775 0 3.32294 -0.35747 -3 -6.9065 < LEU_5 -14.0064 1.02409 7.46334 0.04045 0.36857 -0.64997 -2.84504 0 0 0 0 0 0 0 0 0 0.21248 1.94983 -0.55411 0 3.32294 -0.22227 -3 -6.89613 < GLN_6 -10.1028 0.45466 9.1862 0.01815 0.3838 -0.84703 -3.47749 0 0 0 0 0 0 0 0 0 0.12455 5.05465 0.00837 0 -2.9019 -0.3808 -3 -5.47966 < GLN_7 -11.9895 1.08845 9.19632 0.04803 1.6311 -0.42588 -3.21668 0 0 0 0 0 0 0 0 0 0.68935 5.0679 -0.20956 0 -2.9019 -0.32047 -3 -4.34288 < ILE_8 -18.3634 2.46261 6.85315 0.06385 0.14873 -0.45107 -3.78423 0 0 0 0 0 0 0 0 0 0.07725 1.00078 -0.70487 0 4.60748 -0.19805 -3 -11.2878 < HIS_9 -11.6353 0.2855 9.98957 0.01558 0.63138 -0.64384 -3.81505 0 0 0 0 0 0 0 0 0 0.0743 4.80843 0.13119 0 -0.6013 -0.18265 -3 -3.94217 < ASN_10 -11.939 0.46977 10.3288 0.01509 0.50432 -0.77092 -3.43523 0 0 0 0 0 0 0 0 0 -0.02284 2.20966 1.22215 0 -2.68052 0.21849 -3 -6.88029 < ILE_11 -18.4292 1.94775 6.45606 0.07488 0.22503 0.14533 -3.62298 0 0 0 0 0 0 0 0 0 0.18795 2.46547 -0.75359 0 4.60748 0.3434 -3 -9.3524 < HIS_D_12 -13.7484 3.89476 11.6591 0.01877 1.53495 0.11221 -12.0955 0 0 0 0 0 0 0.25202 0.07574 1.13346 0.20672 7.51764 -0.42568 0 -0.6013 0.13787 -3 -3.32762 < SER_13 -9.6562 0.46236 10.0272 0.00351 0.04832 -0.38394 -3.06043 0 0 0 0 0 0 0 0 0 0.14571 0.87328 0.598 0 -0.57938 0.18186 -3 -4.33972 < PHE_14 -14.4449 0.87267 7.93124 0.08643 0.48757 -0.42325 -4.21119 0 0 0 0 0 0 0 0 0 0.1389 5.82293 0.23556 0 2.43658 -0.25022 -3 -4.31768 < ILE_15 -18.5961 2.52776 7.16369 0.05482 0.14531 -0.32727 -4.45176 0 0 0 0 0 0 0 0 0 0.00864 0.19795 -0.73232 0 4.60748 -0.23292 -3 -12.6348 < HIS_D_16 -11.2994 3.45367 10.0613 0.01019 0.70739 -0.0208 -12.1904 0 0 0 0 0 0 0.34613 0.35724 0.14675 0.18791 6.85328 0.07759 0 -0.6013 -0.11624 -3 -5.02672 < GLN_17 -9.34098 0.47195 8.14882 0.01954 0.39442 -0.48688 -3.22065 0 0 0 0 0 0 0 0 0 0.15988 4.8884 0.16714 0 -2.9019 -0.1052 -3 -4.80547 < ALA_18 -12.4064 0.66441 6.34625 0.00267 0 -0.02112 -4.73237 0 0 0 0 0 0 0 0 0 0.17621 0 -0.59377 0 2.64936 -0.4604 -3 -11.3752 < LYS_19 -10.2586 0.98859 7.29974 0.02893 0.28794 -0.53629 -2.71275 0 0 0 0 0 0 0 0 0 0.13402 4.63557 0.08848 0 -1.42916 -0.57539 -3 -5.04894 < ALA_20 -4.75817 0.26077 4.01295 0.00283 0 -0.10264 -1.05053 0 0 0 0 0 0 0 0 0 0.04881 0 -0.76357 0 2.64936 -0.67936 -3 -3.37955 < ALA_21 -6.00692 0.36657 3.88922 0.00365 0 -0.33583 -1.26777 0 0 0 0 0 0 0 0 0 -0.10503 0 0.07818 0 2.64936 -1.13791 -3 -4.86648 < GLY_22 -4.09141 0.21763 4.37135 0.00029 0 -0.21487 -2.33976 0 0 0 0 0 0 0 0 0 -0.14307 0 -2.02522 0 1.59632 -1.25863 -3 -6.88738 < ARG_23 -11.5151 0.74526 8.75064 0.0259 0.69925 -0.49478 -3.81233 0 0 0 0 0 0 0 0 0 0.02081 3.92956 -0.00916 0 -0.18948 0.00362 -3 -4.84585 < MET_24 -7.69135 0.41297 6.04826 0.02611 0.20117 -0.39414 -1.96933 0 0 0 0 0 0 0 0 0 0.15839 2.02074 -0.20987 0 3.3147 0.48176 -3 -0.60058 < ASP_25 -5.35672 0.1857 6.04248 0.00814 0.58177 -0.43767 -1.66009 0 0 0 0 0 0 0 0 0 0.10398 2.58908 0.43057 0 -4.29148 -0.45217 -3 -5.2564 < GLU_26 -11.0929 0.9626 9.14046 0.01624 1.70316 -1.06453 -2.88722 0 0 0 0 0 0 0 0 0 0.43609 5.69109 -0.52407 0 -5.44906 -0.52372 -3 -6.59184 < VAL_27 -14.8307 1.50955 6.00322 0.04478 0.11034 -0.19693 -3.25563 0 0 0 0 0 0 0 0 0 -0.03356 0.61212 -0.52068 0 5.28538 -0.37391 -3 -8.64608 < ARG_28 -9.019 0.31962 8.48671 0.02014 0.36814 -0.74172 -2.67789 0 0 0 0 0 0 0 0 0 0.2015 3.17378 -0.03545 0 -0.18948 -0.27291 -3 -3.36656 < THR_29 -8.52543 0.20746 8.6171 0.02298 0.12894 -0.77468 -2.79378 0 0 0 0 0 0 0 0 0 0.05635 -0.00373 -0.04523 0 2.3035 -0.07792 -3 -3.88446 < LEU_30 -17.7663 2.25255 7.054 0.03256 0.15607 -0.44036 -4.03952 0 0 0 0 0 0 0 0 0 0.05983 0.46477 -0.57595 0 3.32294 -0.20144 -3 -12.6808 < GLN_31 -10.7563 0.62858 8.52149 0.02093 1.72162 -0.43472 -4.02037 0 0 0 0 0 0 0 0 0 1.02505 4.65617 -0.19967 0 -2.9019 -0.53587 -3 -5.27494 < GLU_32 -9.38642 0.58439 9.87335 0.01415 0.54006 -0.96309 -3.07447 0 0 0 0 0 0 0 0 0 0.16483 5.10144 -0.40157 0 -5.44906 -0.64446 -3 -6.64086 < ASN_33 -11.8127 0.40154 9.41845 0.01442 0.50256 -0.80135 -3.13433 0 0 0 0 0 0 0 0 0 -0.06586 2.02357 1.05634 0 -2.68052 -0.22935 -3 -8.30719 < LEU_34 -15.3125 1.58556 7.00379 0.03566 0.34211 -0.0766 -4.00943 0 0 0 0 0 0 0 0 0 -0.01112 0.8228 -0.39116 0 3.32294 0.22169 -3 -9.46621 < HIS_D_35 -10.2843 1.96209 9.97015 0.01556 0.97061 -0.05215 -7.12211 0 0 0 0 0 0 0.11506 0.33382 0.41885 0.06555 13.7983 -0.14559 0 -0.6013 -0.01796 -3 6.42658 < GLN_36 -8.81588 0.41533 8.75072 0.01308 0.41149 -0.73057 -3.26339 0 0 0 0 0 0 0 0 0 0.38282 5.5024 -0.0495 0 -2.9019 -0.18744 -3 -3.47284 < LEU_37 -14.3872 1.45605 7.84349 0.03457 0.15689 -0.62436 -4.46832 0 0 0 0 0 0 0 0 0 -0.07763 0.5053 -0.55101 0 3.32294 -0.38441 -3 -10.1737 < GLN_38 -13.5246 0.71066 12.0019 0.01978 1.66605 -0.20447 -5.15248 0 0 0 0 -1.20563 0 0 0 0 0.1814 4.81101 -0.11819 0 -2.9019 -0.44561 -3 -7.16214 < HIS_D_39 -11.7001 2.34266 11.2992 0.01247 0.66226 -0.45846 -7.80714 0 0 0 0 0 0 0.16456 0.00025 0.08213 0.3035 7.82428 -0.01867 0 -0.6013 -0.31683 -3 -1.21123 < GLU_40 -10.1604 0.33806 8.85596 0.01588 0.70062 -0.69042 -2.45656 0 0 0 0 0 0 0 0 0 0.27356 5.07623 -0.09131 0 -5.44906 -0.2376 -3 -6.82506 < TYR_41 -19.6337 1.59707 10.1369 0.04502 0.54451 -0.38659 -4.344 0 0 0 0 0 0 0 0 0 -0.00784 2.60032 -0.77191 1e-05 1.16446 -0.00518 -3 -12.061 < ASP_42 -11.9777 0.46594 14.5477 0.00789 0.5971 -0.18811 -6.27875 0 0 0 0 -1.20563 0 0 0 0 0.00387 2.77994 0.48129 0 -4.29148 0.20952 -3 -7.84835 < GLN_43 -8.05647 0.67798 8.41269 0.01831 0.39308 -0.99323 -1.07688 0 0 0 0 0 0 0 0 0 0.3573 5.03104 -0.38403 0 -2.9019 -0.20891 -3 -1.73102 < GLN_44 -6.86984 0.27089 6.803 0.04798 1.76507 -0.5101 -0.54277 0 0 0 0 0 0 0 0 0 -0.09722 4.78439 -0.5006 0 -2.9019 -0.65441 -3 -1.40551 < GLN_45 -8.88163 0.44985 7.61389 0.01756 1.39533 -0.80304 -1.1949 0 0 0 0 0 0 0 0 0 0.15758 4.34781 -0.31272 0 -2.9019 -0.52672 -3 -3.63889 < THR:CtermProteinFull_46 -4.13335 0.07999 6.2011 0.26642 0.28188 -0.40296 0.31414 0 0 0 0 0 0 0 0 0 0 0.0867 0 0 2.3035 -0.18331 -3 1.8141 < ZN_47 -1.75238 7.30058 2.11584 0 0 0.25715 -29.991 0 0 0 0 0 0 0.88224 0.76831 1.77997 0 0 0 0 0 0 -3 -21.6393 --- > pose -522.15 65.8697 376.975 1.47327 24.9703 -19.4236 -217.652 0.45238 -79.6009 -1.42431 0 -2.93073 0 1.56546 5.20072 0.74644 7.5478 136.526 -9.89091 8e-05 -8.75484 8.41655 -138 -370.084 > GLY:NtermProteinFull_1 -6.20302 0.70132 5.68073 0.00042 0 -0.00707 -0.79938 0 0 0 0 0 0 0 0 0 0.09426 0 0 0 1.59632 0 -3 -1.93642 > SER_2 -5.94901 2.87399 6.06329 0.00449 0.048 -0.55575 -1.96595 0.03344 0 0 0 0 0 0 0 0 -0.02758 1.68174 0.53658 0 -0.57938 10.3484 -3 9.51225 > PRO_3 -7.78976 2.47644 5.0146 0.00493 0.08566 -0.32549 -0.31268 0.41893 0 0 0 0 0 0 0 0 -0.1752 1.22111 -0.56108 0 -3.28642 9.89089 -3 3.66193 > LEU_4 -14.4626 1.68034 7.72826 0.0352 0.14565 -0.45879 -2.64176 0 0 0 0 0 0 0 0 0 0.53852 0.64094 -0.39418 0 3.32294 -0.39266 -3 -7.25816 > LEU_5 -12.1183 0.89139 6.3498 0.04415 0.36042 -0.19741 -3.17427 0 0 0 0 0 0 0 0 0 0.15644 2.48467 -0.58993 0 3.32294 -0.24821 -3 -5.71834 > GLN_6 -10.6998 0.65154 9.57234 0.02036 0.40644 -0.88665 -4.18329 0 0 0 0 0 0 0 0 0 0.24609 5.09101 -0.0881 0 -2.9019 -0.48794 -3 -6.2599 > GLN_7 -11.9364 1.02943 8.52484 0.03764 1.51327 -0.42221 -2.82528 0 0 0 0 0 0 0 0 0 0.99749 5.38533 -0.23473 0 -2.9019 -0.41695 -3 -4.2495 > ILE_8 -17.1148 2.04406 6.75164 0.06254 0.14641 -0.42531 -3.36411 0 0 0 0 0 0 0 0 0 0.19161 0.3533 -0.78441 0 4.60748 -0.22224 -3 -10.7539 > HIS_9 -9.61728 0.34888 9.8165 0.00872 1.24396 -0.29706 -4.88104 0 0 0 0 0 0 0 0 0 0.04058 2.42956 -0.46551 0 -0.6013 0.2058 -3 -4.76819 > ASN_10 -12.0888 0.47207 10.0994 0.01549 0.5013 -0.82236 -3.91474 0 0 0 0 0 0 0 0 0 -0.01738 2.2875 1.18577 0 -2.68052 0.74891 -3 -7.21337 > ILE_11 -18.4124 2.22712 6.0638 0.07565 0.22684 0.08267 -3.55367 0 0 0 0 0 0 0 0 0 0.09851 2.47776 -0.67499 0 4.60748 0.47616 -3 -9.30507 > HIS_D_12 -13.9808 3.4429 11.2533 0.01433 1.47307 -0.20927 -12.7161 0 0 0 0 0 0 0.19995 0.00329 0.27282 0.23619 7.92902 -0.42168 0 -0.6013 0.14954 -3 -5.95464 > SER_13 -9.54012 0.51899 10.0727 0.00305 0.04833 -0.84123 -4.87035 0 0 0 0 0 0 0 0 0 -0.00079 0.868 0.59141 0 -0.57938 0.19316 -3 -6.53621 > PHE_14 -15.2474 0.93534 7.99242 0.08336 0.50673 -0.43046 -4.08107 0 0 0 0 0 0 0 0 0 -0.02768 6.01608 0.41244 0 2.43658 -0.28108 -3 -4.68479 > ILE_15 -19.5163 3.41852 7.28855 0.05227 0.14085 -0.54522 -4.35906 0 0 0 0 0 0 0 0 0 -0.06 0.17395 -0.81002 0 4.60748 -0.1147 -3 -12.7236 > HIS_D_16 -11.8267 3.05843 10.607 0.00861 0.75109 0.05904 -13.2396 0 0 0 0 0 0 0.19219 0.11547 0.03646 0.40815 4.5809 0.21628 0 -0.6013 -0.10755 -3 -8.74153 > GLN_17 -9.87237 0.54225 8.36539 0.02018 0.39951 -0.49685 -3.31132 0 0 0 0 0 0 0 0 0 0.51588 4.78099 0.01273 0 -2.9019 -0.34725 -3 -5.29276 > ALA_18 -12.7395 0.72157 6.58842 0.00267 0 -0.04166 -4.71986 0 0 0 0 0 0 0 0 0 0.18978 0 -0.48196 0 2.64936 -0.53588 -3 -11.3671 > GLN_19 -12.2001 1.23802 8.51775 0.01428 0.38331 -0.60634 -3.43125 0 0 0 0 0 0 0 0 0 0.17596 4.57417 0.12553 0 -2.9019 -0.45587 0 -4.56641 > ALA_20 -4.83026 0.26673 4.09185 0.00283 0 -0.08741 -1.27214 0 0 0 0 0 0 0 0 0 0.06076 0 -0.70899 0 2.64936 -0.61548 -3 -3.44275 > ALA_21 -6.00355 0.41585 3.78543 0.00351 0 -0.31106 -0.98136 0 0 0 0 0 0 0 0 0 0.06016 0 0.0454 0 2.64936 -1.15508 -3 -4.49134 > GLY_22 -4.4708 0.3254 4.66109 0.00021 0 -0.25319 -3.02386 0 0 0 0 0 0 0 0 0 0.0354 0 -2.49554 0 1.59632 -1.44604 -3 -8.07102 > ARG_23 -11.5042 0.83858 8.5256 0.02486 0.7034 -0.108 -3.69524 0 0 0 0 0 0 0 0 0 0.10582 3.50648 0.17246 0 -0.18948 -0.38327 -3 -5.00294 > MET_24 -9.32573 0.8436 5.80719 0.03591 0.23017 -0.46644 -2.29295 0 0 0 0 0 0 0 0 0 0.52602 2.38458 -0.31307 0 3.3147 0.21857 -3 -2.03747 > ASP_25 -5.24212 0.25484 5.98409 0.008 0.57881 -0.38953 -1.65743 0 0 0 0 0 0 0 0 0 0.22022 2.59159 0.48092 0 -4.29148 -0.46282 -3 -4.92492 > GLU_26 -11.2501 0.9337 9.13688 0.01498 1.6513 -0.71438 -3.36652 0 0 0 0 0 0 0 0 0 0.32774 5.57567 -0.57189 0 -5.44906 -0.48971 -3 -7.20141 > VAL_27 -16.4005 2.02092 5.36805 0.04055 0.10839 -0.13713 -2.80093 0 0 0 0 0 0 0 0 0 0.05381 -0.01332 -0.45034 0 5.28538 -0.31157 -3 -10.2367 > ARG_28 -8.40694 0.28292 8.26719 0.02082 0.37548 -0.84733 -2.43181 0 0 0 0 0 0 0 0 0 0.10106 3.43214 -0.02608 0 -0.18948 -0.17702 -3 -2.59906 > THR_29 -8.41613 0.19466 8.43794 0.02404 0.12937 -0.7872 -2.61921 0 0 0 0 0 0 0 0 0 0.01635 0.05466 -0.05188 0 2.3035 -0.03336 -3 -3.74727 > LEU_30 -17.8377 2.14153 6.98623 0.02854 0.14966 -0.45846 -4.237 0 0 0 0 0 0 0 0 0 0.01044 0.97171 -0.54938 0 3.32294 -0.15582 -3 -12.6273 > GLN_31 -10.8225 0.89111 8.2829 0.04816 1.61877 -0.60365 -4.01925 0 0 0 0 0 0 0 0 0 0.76913 4.8407 -0.18988 0 -2.9019 -0.5102 -3 -5.59658 > GLU_32 -9.22572 0.65024 9.609 0.01391 0.53724 -0.85903 -2.98086 0 0 0 0 0 0 0 0 0 0.18357 5.09348 -0.43049 0 -5.44906 -0.64515 -3 -6.50287 > ASN_33 -12.0943 0.61603 9.71557 0.01518 0.50404 -0.82093 -3.28533 0 0 0 0 0 0 0 0 0 -0.06253 2.01612 1.09652 0 -2.68052 -0.20781 -3 -8.18791 > LEU_34 -16.0515 1.94784 6.41422 0.03681 0.33647 -0.19551 -3.52178 0 0 0 0 0 0 0 0 0 0.00955 1.2327 -0.41075 0 3.32294 0.17792 -3 -9.70111 > HIS_D_35 -9.91464 1.63438 9.54609 0.08841 1.30086 0.08551 -6.86979 0 0 0 0 0 0 0.11265 0.09489 0.01053 0.19238 7.25906 0.00151 0 -0.6013 -0.16644 -3 -0.22592 > GLN_36 -9.6793 0.64198 9.15372 0.02211 0.42655 -0.69204 -3.67226 0 0 0 0 0 0 0 0 0 0.44925 5.08047 -0.27801 0 -2.9019 -0.39865 -3 -4.84809 > LEU_37 -15.5841 1.99707 7.66509 0.02851 0.15773 -0.61049 -4.37669 0 0 0 0 0 0 0 0 0 0.19268 1.25276 -0.5549 0 3.32294 -0.58744 -3 -10.0968 > GLN_38 -12.9951 0.61349 11.9641 0.04081 1.5621 -0.4078 -4.81448 0 0 0 0 -1.46536 0 0 0 0 0.15193 4.97151 -0.26993 0 -2.9019 -0.56596 -3 -7.11659 > HIS_D_39 -12.1142 2.21155 11.6124 0.01317 0.6576 -0.47874 -7.66201 0 0 0 0 0 0 0.08326 0.0836 0.02143 -0.00209 8.07917 -0.29658 0 -0.6013 -0.20951 -3 -1.60219 > GLU_40 -9.90737 0.35804 8.18669 0.01446 0.69994 -0.78535 -2.60605 0 0 0 0 0 0 0 0 0 0.37757 5.65791 -0.2848 0 -5.44906 -0.33616 -3 -7.07419 > TYR_41 -19.5618 1.60993 9.80657 0.04326 0.51002 -0.63255 -4.12068 0 0 0 0 0 0 0 0 0 -0.00227 2.64933 -0.72338 8e-05 1.16446 -0.21285 -3 -12.4699 > ASP_42 -11.8807 0.39293 14.5257 0.00811 0.58276 -0.11746 -6.13892 0 0 0 0 -1.46536 0 0 0 0 0.02278 2.7255 0.47886 0 -4.29148 0.21391 -3 -7.94336 > GLN_43 -8.16338 0.54701 8.45414 0.02076 0.41644 -1.0985 -0.97631 0 0 0 0 0 0 0 0 0 0.23054 5.10743 -0.34804 0 -2.9019 -0.23883 -3 -1.95065 > GLN_44 -7.18942 0.23754 6.71612 0.04691 1.77096 -0.37727 -0.52359 0 0 0 0 0 0 0 0 0 -0.06961 4.54874 -0.48232 0 -2.9019 -0.62151 -3 -1.84535 > GLN_45 -8.63647 0.37941 7.37108 0.01551 1.29877 -0.83193 -1.41784 0 0 0 0 0 0 0 0 0 0.00633 4.43282 -0.30449 0 -2.9019 -0.49557 -3 -4.08427 > THR:CtermProteinFull_46 -4.18729 0.08833 6.28485 0.30457 0.28263 -0.4354 0.22301 0 0 0 0 0 0 0 0 0 0 0.09839 0 0 2.3035 -0.17011 -3 1.79247 > ZN_47 -1.76309 7.8985 2.13831 0 0 0.25438 -30.7249 0 0 0 0 0 0 0.58683 0.2981 0.34126 0 0 0 0 0 0 -3 -23.9706 1556c1548 < LEU_52 -0.11399 0 -0.00591 0 0 0.00911 0.0359 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.07488 --- > LEU_52 -0.58871 0.03533 -0.10569 0 0 0.03647 0.0389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.58371 1559,1560c1551,1552 < ILE_55 -0.00043 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00043 < HIS_56 -0.54612 0 0.67519 0 0 -0.12377 -0.12064 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11533 --- > ILE_55 -0.112 0 -0.00496 0 0 -0.03523 0.00424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14795 > HIS_56 -0.36742 0 0.45955 0 0 -0.0028 0.14067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.23 1563c1555 < HIS_D_59 -0.73666 6e-05 0.75364 0 0 0.29084 0.22936 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.53723 --- > HIS_D_59 -1.29314 0.01032 1.22219 0 0 0.21382 0.05492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.20811 1566,1567c1558,1559 < ILE_62 -7e-05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -7e-05 < HIS_D_63 -0.7681 0.00076 0.73962 0 0 0.30872 0.31643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.59742 --- > ILE_62 -0.00176 0 0 0 0 0 0.00249 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00074 > HIS_D_63 -0.70717 0 0.68846 0 0 0.31649 0.30924 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.60702 1570c1562 < LYS_66 -0.01177 0 0.00941 0 0 -0.00382 0.0598 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05362 --- > GLN_66 -0.00594 0 0 0 0 0 0.01452 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00857 1582c1574 < GLN_78 -3e-05 0 0 0 0 0 0.00572 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 --- > GLN_78 -0.00408 0 0.00423 0 0 -0.00189 0.01799 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01626 1585,1586c1577,1578 < LEU_81 -6e-05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -6e-05 < HIS_D_82 -1.01616 1.27534 1.05717 0 0 0.33954 -4.63825 0 0 0 0 0 0 0.11645 0.33504 0.4178 0 0 0 0 0 0 0 -2.11308 --- > LEU_81 -0.00591 0 0 0 0 0 0.00746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00155 > HIS_D_82 -1.04891 1.28563 1.06571 0 0 0.34693 -4.94993 0 0 0 0 0 0 0.11099 0.09517 0.01037 0 0 0 0 0 0 0 -3.08404 1589,1590c1581,1582 < GLN_85 -0.11635 0 0.1124 0 0 -0.01778 0.07559 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05387 < HIS_D_86 -1.01784 1.17846 1.03282 0 0 0.37732 -4.69319 0 0 0 0 0 0 0.16765 0.00029 0.08196 0 0 0 0 0 0 0 -2.87254 --- > GLN_85 -0.39209 0 0.18014 0 0 -0.09032 0.17869 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.12357 > HIS_D_86 -1.16504 1.36181 1.1326 0 0 0.32149 -4.77756 0 0 0 0 0 0 0.0837 0.08416 0.02162 0 0 0 0 0 0 0 -2.93722 1592,1593c1584,1585 < TYR_88 -0.18207 0 0.03698 0 0 0.0261 0.06662 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05237 < ASP_89 -0.40006 0 0.65931 0 0 -0.16658 -0.32261 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22994 --- > TYR_88 -0.50287 0.03525 -0.04364 0 0 0.02294 0.0226 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.46573 > ASP_89 -0.51554 0 0.72127 0 0 -0.00559 -0.07131 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12882 1596,1598c1588,1590 < GLN_92 -0.03167 0 -9e-05 0 0 0 0.02626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 < THR:CtermProteinFull_93 -0.00016 0 0 0 0 0 0.0025 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00234 < ZN_94 -0.58637 2.46105 0.70674 0 0 0.08573 -10.0088 0 0 0 0 0 0 0.27963 0.33407 0.50098 0 0 0 0 0 0 0 -6.22698 --- > GLN_92 -0.03012 0 0.00125 0 0 -0.00292 -0.00953 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04132 > THR:CtermProteinFull_93 -0.04471 0 0.08624 0 0 -0.03274 -0.0608 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05201 > ZN_94 -0.59056 2.63468 0.7188 0 0 0.08405 -10.3634 0 0 0 0 0 0 0.1959 0.17849 0.03196 0 0 0 0 0 0 0 -7.11012 1609c1601 < TOTAL_SCORE: -336.649 --- > TOTAL_SCORE: -370.084 1611,1658c1603,1650 < TOTAL_WTD: fa_atr: -512.865 fa_rep: 61.715 fa_sol: 379.601 fa_intra_rep: 1.351 fa_intra_sol_xover4: 24.381 lk_ball_wtd: -19.365 fa_elec: -210.870 pro_close: 1.539 hbond_sr_bb: -79.587 hbond_lr_bb: -1.820 hbond_bb_sc: 0.000 hbond_sc: -2.411 dslf_fa13: 0.000 atom_pair_constraint: 2.324 angle_constraint: 10.349 dihedral_constraint: 4.562 omega: 6.494 fa_dun: 145.079 p_aa_pp: -7.973 yhh_planarity: 0.000 ref: -7.282 rama_prepro: 9.131 res_type_constraint: -141.000 < RSD_WTD: 1 fa_atr: -6.265 fa_rep: 0.733 fa_sol: 5.619 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.145 fa_elec: -0.588 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.321 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.596 rama_prepro: 0.000 res_type_constraint: -3.000 < RSD_WTD: 2 fa_atr: -5.545 fa_rep: 2.521 fa_sol: 5.696 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.046 lk_ball_wtd: -0.513 fa_elec: -1.845 pro_close: 0.029 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.010 fa_dun: 1.219 p_aa_pp: 0.590 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 10.348 res_type_constraint: -3.000 < RSD_WTD: 3 fa_atr: -7.416 fa_rep: 2.206 fa_sol: 4.908 fa_intra_rep: 0.005 fa_intra_sol_xover4: 0.087 lk_ball_wtd: -0.302 fa_elec: -0.435 pro_close: 1.509 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.073 fa_dun: 1.269 p_aa_pp: -0.151 yhh_planarity: 0.000 ref: -3.286 rama_prepro: 9.943 res_type_constraint: -3.000 < RSD_WTD: 4 fa_atr: -13.796 fa_rep: 1.564 fa_sol: 7.704 fa_intra_rep: 0.037 fa_intra_sol_xover4: 0.148 lk_ball_wtd: -0.539 fa_elec: -2.788 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.149 fa_dun: 1.017 p_aa_pp: -0.368 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.357 res_type_constraint: -3.000 < RSD_WTD: 5 fa_atr: -14.006 fa_rep: 1.024 fa_sol: 7.463 fa_intra_rep: 0.040 fa_intra_sol_xover4: 0.369 lk_ball_wtd: -0.650 fa_elec: -2.845 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.212 fa_dun: 1.950 p_aa_pp: -0.554 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.222 res_type_constraint: -3.000 < RSD_WTD: 6 fa_atr: -10.103 fa_rep: 0.455 fa_sol: 9.186 fa_intra_rep: 0.018 fa_intra_sol_xover4: 0.384 lk_ball_wtd: -0.847 fa_elec: -3.477 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.125 fa_dun: 5.055 p_aa_pp: 0.008 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.381 res_type_constraint: -3.000 < RSD_WTD: 7 fa_atr: -11.990 fa_rep: 1.088 fa_sol: 9.196 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.631 lk_ball_wtd: -0.426 fa_elec: -3.217 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.689 fa_dun: 5.068 p_aa_pp: -0.210 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.320 res_type_constraint: -3.000 < RSD_WTD: 8 fa_atr: -18.363 fa_rep: 2.463 fa_sol: 6.853 fa_intra_rep: 0.064 fa_intra_sol_xover4: 0.149 lk_ball_wtd: -0.451 fa_elec: -3.784 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.077 fa_dun: 1.001 p_aa_pp: -0.705 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.198 res_type_constraint: -3.000 < RSD_WTD: 9 fa_atr: -11.635 fa_rep: 0.286 fa_sol: 9.990 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.631 lk_ball_wtd: -0.644 fa_elec: -3.815 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.074 fa_dun: 4.808 p_aa_pp: 0.131 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.183 res_type_constraint: -3.000 < RSD_WTD: 10 fa_atr: -11.939 fa_rep: 0.470 fa_sol: 10.329 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.504 lk_ball_wtd: -0.771 fa_elec: -3.435 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.023 fa_dun: 2.210 p_aa_pp: 1.222 yhh_planarity: 0.000 ref: -2.681 rama_prepro: 0.218 res_type_constraint: -3.000 < RSD_WTD: 11 fa_atr: -18.429 fa_rep: 1.948 fa_sol: 6.456 fa_intra_rep: 0.075 fa_intra_sol_xover4: 0.225 lk_ball_wtd: 0.145 fa_elec: -3.623 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.188 fa_dun: 2.465 p_aa_pp: -0.754 yhh_planarity: 0.000 ref: 4.607 rama_prepro: 0.343 res_type_constraint: -3.000 < RSD_WTD: 12 fa_atr: -13.748 fa_rep: 3.895 fa_sol: 11.659 fa_intra_rep: 0.019 fa_intra_sol_xover4: 1.535 lk_ball_wtd: 0.112 fa_elec: -12.095 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.252 angle_constraint: 0.076 dihedral_constraint: 1.133 omega: 0.207 fa_dun: 7.518 p_aa_pp: -0.426 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.138 res_type_constraint: -3.000 < RSD_WTD: 13 fa_atr: -9.656 fa_rep: 0.462 fa_sol: 10.027 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.384 fa_elec: -3.060 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.146 fa_dun: 0.873 p_aa_pp: 0.598 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 0.182 res_type_constraint: -3.000 < RSD_WTD: 14 fa_atr: -14.445 fa_rep: 0.873 fa_sol: 7.931 fa_intra_rep: 0.086 fa_intra_sol_xover4: 0.488 lk_ball_wtd: -0.423 fa_elec: -4.211 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.139 fa_dun: 5.823 p_aa_pp: 0.236 yhh_planarity: 0.000 ref: 2.437 rama_prepro: -0.250 res_type_constraint: -3.000 < RSD_WTD: 15 fa_atr: -18.596 fa_rep: 2.528 fa_sol: 7.164 fa_intra_rep: 0.055 fa_intra_sol_xover4: 0.145 lk_ball_wtd: -0.327 fa_elec: -4.452 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.009 fa_dun: 0.198 p_aa_pp: -0.732 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.233 res_type_constraint: -3.000 < RSD_WTD: 16 fa_atr: -11.299 fa_rep: 3.454 fa_sol: 10.061 fa_intra_rep: 0.010 fa_intra_sol_xover4: 0.707 lk_ball_wtd: -0.021 fa_elec: -12.190 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.346 angle_constraint: 0.357 dihedral_constraint: 0.147 omega: 0.188 fa_dun: 6.853 p_aa_pp: 0.078 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.116 res_type_constraint: -3.000 < RSD_WTD: 17 fa_atr: -9.341 fa_rep: 0.472 fa_sol: 8.149 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.394 lk_ball_wtd: -0.487 fa_elec: -3.221 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.160 fa_dun: 4.888 p_aa_pp: 0.167 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.105 res_type_constraint: -3.000 < RSD_WTD: 18 fa_atr: -12.406 fa_rep: 0.664 fa_sol: 6.346 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.021 fa_elec: -4.732 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.176 fa_dun: 0.000 p_aa_pp: -0.594 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.460 res_type_constraint: -3.000 < RSD_WTD: 19 fa_atr: -10.259 fa_rep: 0.989 fa_sol: 7.300 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.288 lk_ball_wtd: -0.536 fa_elec: -2.713 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.134 fa_dun: 4.636 p_aa_pp: 0.088 yhh_planarity: 0.000 ref: -1.429 rama_prepro: -0.575 res_type_constraint: -3.000 < RSD_WTD: 20 fa_atr: -4.758 fa_rep: 0.261 fa_sol: 4.013 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.103 fa_elec: -1.051 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.049 fa_dun: 0.000 p_aa_pp: -0.764 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.679 res_type_constraint: -3.000 < RSD_WTD: 21 fa_atr: -6.007 fa_rep: 0.367 fa_sol: 3.889 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.336 fa_elec: -1.268 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.105 fa_dun: 0.000 p_aa_pp: 0.078 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -1.138 res_type_constraint: -3.000 < RSD_WTD: 22 fa_atr: -4.091 fa_rep: 0.218 fa_sol: 4.371 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.215 fa_elec: -2.340 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.143 fa_dun: 0.000 p_aa_pp: -2.025 yhh_planarity: 0.000 ref: 1.596 rama_prepro: -1.259 res_type_constraint: -3.000 < RSD_WTD: 23 fa_atr: -11.515 fa_rep: 0.745 fa_sol: 8.751 fa_intra_rep: 0.026 fa_intra_sol_xover4: 0.699 lk_ball_wtd: -0.495 fa_elec: -3.812 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.021 fa_dun: 3.930 p_aa_pp: -0.009 yhh_planarity: 0.000 ref: -0.189 rama_prepro: 0.004 res_type_constraint: -3.000 < RSD_WTD: 24 fa_atr: -7.691 fa_rep: 0.413 fa_sol: 6.048 fa_intra_rep: 0.026 fa_intra_sol_xover4: 0.201 lk_ball_wtd: -0.394 fa_elec: -1.969 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.158 fa_dun: 2.021 p_aa_pp: -0.210 yhh_planarity: 0.000 ref: 3.315 rama_prepro: 0.482 res_type_constraint: -3.000 < RSD_WTD: 25 fa_atr: -5.357 fa_rep: 0.186 fa_sol: 6.042 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.582 lk_ball_wtd: -0.438 fa_elec: -1.660 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.104 fa_dun: 2.589 p_aa_pp: 0.431 yhh_planarity: 0.000 ref: -4.291 rama_prepro: -0.452 res_type_constraint: -3.000 < RSD_WTD: 26 fa_atr: -11.093 fa_rep: 0.963 fa_sol: 9.140 fa_intra_rep: 0.016 fa_intra_sol_xover4: 1.703 lk_ball_wtd: -1.065 fa_elec: -2.887 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.436 fa_dun: 5.691 p_aa_pp: -0.524 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.524 res_type_constraint: -3.000 < RSD_WTD: 27 fa_atr: -14.831 fa_rep: 1.510 fa_sol: 6.003 fa_intra_rep: 0.045 fa_intra_sol_xover4: 0.110 lk_ball_wtd: -0.197 fa_elec: -3.256 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.034 fa_dun: 0.612 p_aa_pp: -0.521 yhh_planarity: 0.000 ref: 5.285 rama_prepro: -0.374 res_type_constraint: -3.000 < RSD_WTD: 28 fa_atr: -9.019 fa_rep: 0.320 fa_sol: 8.487 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.368 lk_ball_wtd: -0.742 fa_elec: -2.678 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.202 fa_dun: 3.174 p_aa_pp: -0.035 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.273 res_type_constraint: -3.000 < RSD_WTD: 29 fa_atr: -8.525 fa_rep: 0.207 fa_sol: 8.617 fa_intra_rep: 0.023 fa_intra_sol_xover4: 0.129 lk_ball_wtd: -0.775 fa_elec: -2.794 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.056 fa_dun: -0.004 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.078 res_type_constraint: -3.000 < RSD_WTD: 30 fa_atr: -17.766 fa_rep: 2.253 fa_sol: 7.054 fa_intra_rep: 0.033 fa_intra_sol_xover4: 0.156 lk_ball_wtd: -0.440 fa_elec: -4.040 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.060 fa_dun: 0.465 p_aa_pp: -0.576 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.201 res_type_constraint: -3.000 < RSD_WTD: 31 fa_atr: -10.756 fa_rep: 0.629 fa_sol: 8.521 fa_intra_rep: 0.021 fa_intra_sol_xover4: 1.722 lk_ball_wtd: -0.435 fa_elec: -4.020 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 1.025 fa_dun: 4.656 p_aa_pp: -0.200 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.536 res_type_constraint: -3.000 < RSD_WTD: 32 fa_atr: -9.386 fa_rep: 0.584 fa_sol: 9.873 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.540 lk_ball_wtd: -0.963 fa_elec: -3.074 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.165 fa_dun: 5.101 p_aa_pp: -0.402 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.644 res_type_constraint: -3.000 < RSD_WTD: 33 fa_atr: -11.813 fa_rep: 0.402 fa_sol: 9.418 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.503 lk_ball_wtd: -0.801 fa_elec: -3.134 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.066 fa_dun: 2.024 p_aa_pp: 1.056 yhh_planarity: 0.000 ref: -2.681 rama_prepro: -0.229 res_type_constraint: -3.000 < RSD_WTD: 34 fa_atr: -15.312 fa_rep: 1.586 fa_sol: 7.004 fa_intra_rep: 0.036 fa_intra_sol_xover4: 0.342 lk_ball_wtd: -0.077 fa_elec: -4.009 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.011 fa_dun: 0.823 p_aa_pp: -0.391 yhh_planarity: 0.000 ref: 3.323 rama_prepro: 0.222 res_type_constraint: -3.000 < RSD_WTD: 35 fa_atr: -10.284 fa_rep: 1.962 fa_sol: 9.970 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.971 lk_ball_wtd: -0.052 fa_elec: -7.122 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.115 angle_constraint: 0.334 dihedral_constraint: 0.419 omega: 0.066 fa_dun: 13.798 p_aa_pp: -0.146 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.018 res_type_constraint: -3.000 < RSD_WTD: 36 fa_atr: -8.816 fa_rep: 0.415 fa_sol: 8.751 fa_intra_rep: 0.013 fa_intra_sol_xover4: 0.411 lk_ball_wtd: -0.731 fa_elec: -3.263 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.383 fa_dun: 5.502 p_aa_pp: -0.049 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.187 res_type_constraint: -3.000 < RSD_WTD: 37 fa_atr: -14.387 fa_rep: 1.456 fa_sol: 7.843 fa_intra_rep: 0.035 fa_intra_sol_xover4: 0.157 lk_ball_wtd: -0.624 fa_elec: -4.468 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.078 fa_dun: 0.505 p_aa_pp: -0.551 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.384 res_type_constraint: -3.000 < RSD_WTD: 38 fa_atr: -13.525 fa_rep: 0.711 fa_sol: 12.002 fa_intra_rep: 0.020 fa_intra_sol_xover4: 1.666 lk_ball_wtd: -0.204 fa_elec: -5.152 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.206 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.181 fa_dun: 4.811 p_aa_pp: -0.118 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.446 res_type_constraint: -3.000 < RSD_WTD: 39 fa_atr: -11.700 fa_rep: 2.343 fa_sol: 11.299 fa_intra_rep: 0.012 fa_intra_sol_xover4: 0.662 lk_ball_wtd: -0.458 fa_elec: -7.807 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.165 angle_constraint: 0.000 dihedral_constraint: 0.082 omega: 0.303 fa_dun: 7.824 p_aa_pp: -0.019 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.317 res_type_constraint: -3.000 < RSD_WTD: 40 fa_atr: -10.160 fa_rep: 0.338 fa_sol: 8.856 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.701 lk_ball_wtd: -0.690 fa_elec: -2.457 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.274 fa_dun: 5.076 p_aa_pp: -0.091 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.238 res_type_constraint: -3.000 < RSD_WTD: 41 fa_atr: -19.634 fa_rep: 1.597 fa_sol: 10.137 fa_intra_rep: 0.045 fa_intra_sol_xover4: 0.545 lk_ball_wtd: -0.387 fa_elec: -4.344 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.008 fa_dun: 2.600 p_aa_pp: -0.772 yhh_planarity: 0.000 ref: 1.164 rama_prepro: -0.005 res_type_constraint: -3.000 < RSD_WTD: 42 fa_atr: -11.978 fa_rep: 0.466 fa_sol: 14.548 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.597 lk_ball_wtd: -0.188 fa_elec: -6.279 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.206 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.004 fa_dun: 2.780 p_aa_pp: 0.481 yhh_planarity: 0.000 ref: -4.291 rama_prepro: 0.210 res_type_constraint: -3.000 < RSD_WTD: 43 fa_atr: -8.056 fa_rep: 0.678 fa_sol: 8.413 fa_intra_rep: 0.018 fa_intra_sol_xover4: 0.393 lk_ball_wtd: -0.993 fa_elec: -1.077 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.357 fa_dun: 5.031 p_aa_pp: -0.384 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.209 res_type_constraint: -3.000 < RSD_WTD: 44 fa_atr: -6.870 fa_rep: 0.271 fa_sol: 6.803 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.765 lk_ball_wtd: -0.510 fa_elec: -0.543 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.097 fa_dun: 4.784 p_aa_pp: -0.501 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.654 res_type_constraint: -3.000 < RSD_WTD: 45 fa_atr: -8.882 fa_rep: 0.450 fa_sol: 7.614 fa_intra_rep: 0.018 fa_intra_sol_xover4: 1.395 lk_ball_wtd: -0.803 fa_elec: -1.195 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.158 fa_dun: 4.348 p_aa_pp: -0.313 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.527 res_type_constraint: -3.000 < RSD_WTD: 46 fa_atr: -4.133 fa_rep: 0.080 fa_sol: 6.201 fa_intra_rep: 0.266 fa_intra_sol_xover4: 0.282 lk_ball_wtd: -0.403 fa_elec: 0.314 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.087 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.183 res_type_constraint: -3.000 < RSD_WTD: 47 fa_atr: -1.752 fa_rep: 7.301 fa_sol: 2.116 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.257 fa_elec: -29.991 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.882 angle_constraint: 0.768 dihedral_constraint: 1.780 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: -3.000 --- > TOTAL_WTD: fa_atr: -522.150 fa_rep: 65.870 fa_sol: 376.975 fa_intra_rep: 1.473 fa_intra_sol_xover4: 24.970 lk_ball_wtd: -19.424 fa_elec: -217.652 pro_close: 0.452 hbond_sr_bb: -79.601 hbond_lr_bb: -1.424 hbond_bb_sc: 0.000 hbond_sc: -2.931 dslf_fa13: 0.000 atom_pair_constraint: 1.565 angle_constraint: 5.201 dihedral_constraint: 0.746 omega: 7.548 fa_dun: 136.526 p_aa_pp: -9.891 yhh_planarity: 0.000 ref: -8.755 rama_prepro: 8.417 res_type_constraint: -138.000 > RSD_WTD: 1 fa_atr: -6.203 fa_rep: 0.701 fa_sol: 5.681 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.007 fa_elec: -0.799 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.094 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.596 rama_prepro: 0.000 res_type_constraint: -3.000 > RSD_WTD: 2 fa_atr: -5.949 fa_rep: 2.874 fa_sol: 6.063 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.556 fa_elec: -1.966 pro_close: 0.033 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.028 fa_dun: 1.682 p_aa_pp: 0.537 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 10.348 res_type_constraint: -3.000 > RSD_WTD: 3 fa_atr: -7.790 fa_rep: 2.476 fa_sol: 5.015 fa_intra_rep: 0.005 fa_intra_sol_xover4: 0.086 lk_ball_wtd: -0.325 fa_elec: -0.313 pro_close: 0.419 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.175 fa_dun: 1.221 p_aa_pp: -0.561 yhh_planarity: 0.000 ref: -3.286 rama_prepro: 9.891 res_type_constraint: -3.000 > RSD_WTD: 4 fa_atr: -14.463 fa_rep: 1.680 fa_sol: 7.728 fa_intra_rep: 0.035 fa_intra_sol_xover4: 0.146 lk_ball_wtd: -0.459 fa_elec: -2.642 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.539 fa_dun: 0.641 p_aa_pp: -0.394 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.393 res_type_constraint: -3.000 > RSD_WTD: 5 fa_atr: -12.118 fa_rep: 0.891 fa_sol: 6.350 fa_intra_rep: 0.044 fa_intra_sol_xover4: 0.360 lk_ball_wtd: -0.197 fa_elec: -3.174 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.156 fa_dun: 2.485 p_aa_pp: -0.590 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.248 res_type_constraint: -3.000 > RSD_WTD: 6 fa_atr: -10.700 fa_rep: 0.652 fa_sol: 9.572 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.406 lk_ball_wtd: -0.887 fa_elec: -4.183 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.246 fa_dun: 5.091 p_aa_pp: -0.088 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.488 res_type_constraint: -3.000 > RSD_WTD: 7 fa_atr: -11.936 fa_rep: 1.029 fa_sol: 8.525 fa_intra_rep: 0.038 fa_intra_sol_xover4: 1.513 lk_ball_wtd: -0.422 fa_elec: -2.825 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.997 fa_dun: 5.385 p_aa_pp: -0.235 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.417 res_type_constraint: -3.000 > RSD_WTD: 8 fa_atr: -17.115 fa_rep: 2.044 fa_sol: 6.752 fa_intra_rep: 0.063 fa_intra_sol_xover4: 0.146 lk_ball_wtd: -0.425 fa_elec: -3.364 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.192 fa_dun: 0.353 p_aa_pp: -0.784 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.222 res_type_constraint: -3.000 > RSD_WTD: 9 fa_atr: -9.617 fa_rep: 0.349 fa_sol: 9.816 fa_intra_rep: 0.009 fa_intra_sol_xover4: 1.244 lk_ball_wtd: -0.297 fa_elec: -4.881 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.041 fa_dun: 2.430 p_aa_pp: -0.466 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.206 res_type_constraint: -3.000 > RSD_WTD: 10 fa_atr: -12.089 fa_rep: 0.472 fa_sol: 10.099 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.501 lk_ball_wtd: -0.822 fa_elec: -3.915 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.017 fa_dun: 2.287 p_aa_pp: 1.186 yhh_planarity: 0.000 ref: -2.681 rama_prepro: 0.749 res_type_constraint: -3.000 > RSD_WTD: 11 fa_atr: -18.412 fa_rep: 2.227 fa_sol: 6.064 fa_intra_rep: 0.076 fa_intra_sol_xover4: 0.227 lk_ball_wtd: 0.083 fa_elec: -3.554 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.099 fa_dun: 2.478 p_aa_pp: -0.675 yhh_planarity: 0.000 ref: 4.607 rama_prepro: 0.476 res_type_constraint: -3.000 > RSD_WTD: 12 fa_atr: -13.981 fa_rep: 3.443 fa_sol: 11.253 fa_intra_rep: 0.014 fa_intra_sol_xover4: 1.473 lk_ball_wtd: -0.209 fa_elec: -12.716 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.200 angle_constraint: 0.003 dihedral_constraint: 0.273 omega: 0.236 fa_dun: 7.929 p_aa_pp: -0.422 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.150 res_type_constraint: -3.000 > RSD_WTD: 13 fa_atr: -9.540 fa_rep: 0.519 fa_sol: 10.073 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.841 fa_elec: -4.870 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.001 fa_dun: 0.868 p_aa_pp: 0.591 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 0.193 res_type_constraint: -3.000 > RSD_WTD: 14 fa_atr: -15.247 fa_rep: 0.935 fa_sol: 7.992 fa_intra_rep: 0.083 fa_intra_sol_xover4: 0.507 lk_ball_wtd: -0.430 fa_elec: -4.081 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.028 fa_dun: 6.016 p_aa_pp: 0.412 yhh_planarity: 0.000 ref: 2.437 rama_prepro: -0.281 res_type_constraint: -3.000 > RSD_WTD: 15 fa_atr: -19.516 fa_rep: 3.419 fa_sol: 7.289 fa_intra_rep: 0.052 fa_intra_sol_xover4: 0.141 lk_ball_wtd: -0.545 fa_elec: -4.359 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.060 fa_dun: 0.174 p_aa_pp: -0.810 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.115 res_type_constraint: -3.000 > RSD_WTD: 16 fa_atr: -11.827 fa_rep: 3.058 fa_sol: 10.607 fa_intra_rep: 0.009 fa_intra_sol_xover4: 0.751 lk_ball_wtd: 0.059 fa_elec: -13.240 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.192 angle_constraint: 0.115 dihedral_constraint: 0.036 omega: 0.408 fa_dun: 4.581 p_aa_pp: 0.216 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.108 res_type_constraint: -3.000 > RSD_WTD: 17 fa_atr: -9.872 fa_rep: 0.542 fa_sol: 8.365 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.400 lk_ball_wtd: -0.497 fa_elec: -3.311 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.516 fa_dun: 4.781 p_aa_pp: 0.013 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.347 res_type_constraint: -3.000 > RSD_WTD: 18 fa_atr: -12.740 fa_rep: 0.722 fa_sol: 6.588 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.042 fa_elec: -4.720 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.190 fa_dun: 0.000 p_aa_pp: -0.482 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.536 res_type_constraint: -3.000 > RSD_WTD: 19 fa_atr: -12.200 fa_rep: 1.238 fa_sol: 8.518 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.383 lk_ball_wtd: -0.606 fa_elec: -3.431 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.176 fa_dun: 4.574 p_aa_pp: 0.126 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.456 res_type_constraint: 0.000 > RSD_WTD: 20 fa_atr: -4.830 fa_rep: 0.267 fa_sol: 4.092 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.087 fa_elec: -1.272 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.061 fa_dun: 0.000 p_aa_pp: -0.709 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.615 res_type_constraint: -3.000 > RSD_WTD: 21 fa_atr: -6.004 fa_rep: 0.416 fa_sol: 3.785 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.311 fa_elec: -0.981 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.060 fa_dun: 0.000 p_aa_pp: 0.045 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -1.155 res_type_constraint: -3.000 > RSD_WTD: 22 fa_atr: -4.471 fa_rep: 0.325 fa_sol: 4.661 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.253 fa_elec: -3.024 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.035 fa_dun: 0.000 p_aa_pp: -2.496 yhh_planarity: 0.000 ref: 1.596 rama_prepro: -1.446 res_type_constraint: -3.000 > RSD_WTD: 23 fa_atr: -11.504 fa_rep: 0.839 fa_sol: 8.526 fa_intra_rep: 0.025 fa_intra_sol_xover4: 0.703 lk_ball_wtd: -0.108 fa_elec: -3.695 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.106 fa_dun: 3.506 p_aa_pp: 0.172 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.383 res_type_constraint: -3.000 > RSD_WTD: 24 fa_atr: -9.326 fa_rep: 0.844 fa_sol: 5.807 fa_intra_rep: 0.036 fa_intra_sol_xover4: 0.230 lk_ball_wtd: -0.466 fa_elec: -2.293 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.526 fa_dun: 2.385 p_aa_pp: -0.313 yhh_planarity: 0.000 ref: 3.315 rama_prepro: 0.219 res_type_constraint: -3.000 > RSD_WTD: 25 fa_atr: -5.242 fa_rep: 0.255 fa_sol: 5.984 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.579 lk_ball_wtd: -0.390 fa_elec: -1.657 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.220 fa_dun: 2.592 p_aa_pp: 0.481 yhh_planarity: 0.000 ref: -4.291 rama_prepro: -0.463 res_type_constraint: -3.000 > RSD_WTD: 26 fa_atr: -11.250 fa_rep: 0.934 fa_sol: 9.137 fa_intra_rep: 0.015 fa_intra_sol_xover4: 1.651 lk_ball_wtd: -0.714 fa_elec: -3.367 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.328 fa_dun: 5.576 p_aa_pp: -0.572 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.490 res_type_constraint: -3.000 > RSD_WTD: 27 fa_atr: -16.401 fa_rep: 2.021 fa_sol: 5.368 fa_intra_rep: 0.041 fa_intra_sol_xover4: 0.108 lk_ball_wtd: -0.137 fa_elec: -2.801 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.054 fa_dun: -0.013 p_aa_pp: -0.450 yhh_planarity: 0.000 ref: 5.285 rama_prepro: -0.312 res_type_constraint: -3.000 > RSD_WTD: 28 fa_atr: -8.407 fa_rep: 0.283 fa_sol: 8.267 fa_intra_rep: 0.021 fa_intra_sol_xover4: 0.375 lk_ball_wtd: -0.847 fa_elec: -2.432 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.101 fa_dun: 3.432 p_aa_pp: -0.026 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.177 res_type_constraint: -3.000 > RSD_WTD: 29 fa_atr: -8.416 fa_rep: 0.195 fa_sol: 8.438 fa_intra_rep: 0.024 fa_intra_sol_xover4: 0.129 lk_ball_wtd: -0.787 fa_elec: -2.619 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.016 fa_dun: 0.055 p_aa_pp: -0.052 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.033 res_type_constraint: -3.000 > RSD_WTD: 30 fa_atr: -17.838 fa_rep: 2.142 fa_sol: 6.986 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.150 lk_ball_wtd: -0.458 fa_elec: -4.237 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.010 fa_dun: 0.972 p_aa_pp: -0.549 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.156 res_type_constraint: -3.000 > RSD_WTD: 31 fa_atr: -10.822 fa_rep: 0.891 fa_sol: 8.283 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.619 lk_ball_wtd: -0.604 fa_elec: -4.019 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.769 fa_dun: 4.841 p_aa_pp: -0.190 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.510 res_type_constraint: -3.000 > RSD_WTD: 32 fa_atr: -9.226 fa_rep: 0.650 fa_sol: 9.609 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.537 lk_ball_wtd: -0.859 fa_elec: -2.981 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.184 fa_dun: 5.093 p_aa_pp: -0.430 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.645 res_type_constraint: -3.000 > RSD_WTD: 33 fa_atr: -12.094 fa_rep: 0.616 fa_sol: 9.716 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.504 lk_ball_wtd: -0.821 fa_elec: -3.285 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.063 fa_dun: 2.016 p_aa_pp: 1.097 yhh_planarity: 0.000 ref: -2.681 rama_prepro: -0.208 res_type_constraint: -3.000 > RSD_WTD: 34 fa_atr: -16.052 fa_rep: 1.948 fa_sol: 6.414 fa_intra_rep: 0.037 fa_intra_sol_xover4: 0.336 lk_ball_wtd: -0.196 fa_elec: -3.522 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.010 fa_dun: 1.233 p_aa_pp: -0.411 yhh_planarity: 0.000 ref: 3.323 rama_prepro: 0.178 res_type_constraint: -3.000 > RSD_WTD: 35 fa_atr: -9.915 fa_rep: 1.634 fa_sol: 9.546 fa_intra_rep: 0.088 fa_intra_sol_xover4: 1.301 lk_ball_wtd: 0.086 fa_elec: -6.870 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.113 angle_constraint: 0.095 dihedral_constraint: 0.011 omega: 0.192 fa_dun: 7.259 p_aa_pp: 0.002 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.166 res_type_constraint: -3.000 > RSD_WTD: 36 fa_atr: -9.679 fa_rep: 0.642 fa_sol: 9.154 fa_intra_rep: 0.022 fa_intra_sol_xover4: 0.427 lk_ball_wtd: -0.692 fa_elec: -3.672 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.449 fa_dun: 5.080 p_aa_pp: -0.278 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.399 res_type_constraint: -3.000 > RSD_WTD: 37 fa_atr: -15.584 fa_rep: 1.997 fa_sol: 7.665 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.158 lk_ball_wtd: -0.610 fa_elec: -4.377 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.193 fa_dun: 1.253 p_aa_pp: -0.555 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.587 res_type_constraint: -3.000 > RSD_WTD: 38 fa_atr: -12.995 fa_rep: 0.613 fa_sol: 11.964 fa_intra_rep: 0.041 fa_intra_sol_xover4: 1.562 lk_ball_wtd: -0.408 fa_elec: -4.814 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.465 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.152 fa_dun: 4.972 p_aa_pp: -0.270 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.566 res_type_constraint: -3.000 > RSD_WTD: 39 fa_atr: -12.114 fa_rep: 2.212 fa_sol: 11.612 fa_intra_rep: 0.013 fa_intra_sol_xover4: 0.658 lk_ball_wtd: -0.479 fa_elec: -7.662 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.083 angle_constraint: 0.084 dihedral_constraint: 0.021 omega: -0.002 fa_dun: 8.079 p_aa_pp: -0.297 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.210 res_type_constraint: -3.000 > RSD_WTD: 40 fa_atr: -9.907 fa_rep: 0.358 fa_sol: 8.187 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.700 lk_ball_wtd: -0.785 fa_elec: -2.606 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.378 fa_dun: 5.658 p_aa_pp: -0.285 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.336 res_type_constraint: -3.000 > RSD_WTD: 41 fa_atr: -19.562 fa_rep: 1.610 fa_sol: 9.807 fa_intra_rep: 0.043 fa_intra_sol_xover4: 0.510 lk_ball_wtd: -0.633 fa_elec: -4.121 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.002 fa_dun: 2.649 p_aa_pp: -0.723 yhh_planarity: 0.000 ref: 1.164 rama_prepro: -0.213 res_type_constraint: -3.000 > RSD_WTD: 42 fa_atr: -11.881 fa_rep: 0.393 fa_sol: 14.526 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.583 lk_ball_wtd: -0.117 fa_elec: -6.139 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.465 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.023 fa_dun: 2.725 p_aa_pp: 0.479 yhh_planarity: 0.000 ref: -4.291 rama_prepro: 0.214 res_type_constraint: -3.000 > RSD_WTD: 43 fa_atr: -8.163 fa_rep: 0.547 fa_sol: 8.454 fa_intra_rep: 0.021 fa_intra_sol_xover4: 0.416 lk_ball_wtd: -1.098 fa_elec: -0.976 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.231 fa_dun: 5.107 p_aa_pp: -0.348 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.239 res_type_constraint: -3.000 > RSD_WTD: 44 fa_atr: -7.189 fa_rep: 0.238 fa_sol: 6.716 fa_intra_rep: 0.047 fa_intra_sol_xover4: 1.771 lk_ball_wtd: -0.377 fa_elec: -0.524 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.070 fa_dun: 4.549 p_aa_pp: -0.482 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.622 res_type_constraint: -3.000 > RSD_WTD: 45 fa_atr: -8.636 fa_rep: 0.379 fa_sol: 7.371 fa_intra_rep: 0.016 fa_intra_sol_xover4: 1.299 lk_ball_wtd: -0.832 fa_elec: -1.418 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.006 fa_dun: 4.433 p_aa_pp: -0.304 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.496 res_type_constraint: -3.000 > RSD_WTD: 46 fa_atr: -4.187 fa_rep: 0.088 fa_sol: 6.285 fa_intra_rep: 0.305 fa_intra_sol_xover4: 0.283 lk_ball_wtd: -0.435 fa_elec: 0.223 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.098 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.170 res_type_constraint: -3.000 > RSD_WTD: 47 fa_atr: -1.763 fa_rep: 7.899 fa_sol: 2.138 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.254 fa_elec: -30.725 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.587 angle_constraint: 0.298 dihedral_constraint: 0.341 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: -3.000 1663c1655 < RSD_WTD: 52 fa_atr: -0.114 fa_rep: 0.000 fa_sol: -0.006 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.009 fa_elec: 0.036 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 52 fa_atr: -0.589 fa_rep: 0.035 fa_sol: -0.106 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.036 fa_elec: 0.039 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1666,1667c1658,1659 < RSD_WTD: 55 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 56 fa_atr: -0.546 fa_rep: 0.000 fa_sol: 0.675 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.124 fa_elec: -0.121 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 55 fa_atr: -0.112 fa_rep: 0.000 fa_sol: -0.005 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.035 fa_elec: 0.004 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 56 fa_atr: -0.367 fa_rep: 0.000 fa_sol: 0.460 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.003 fa_elec: 0.141 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1670c1662 < RSD_WTD: 59 fa_atr: -0.737 fa_rep: 0.000 fa_sol: 0.754 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.291 fa_elec: 0.229 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 59 fa_atr: -1.293 fa_rep: 0.010 fa_sol: 1.222 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.214 fa_elec: 0.055 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1673,1674c1665,1666 < RSD_WTD: 62 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 63 fa_atr: -0.768 fa_rep: 0.001 fa_sol: 0.740 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.309 fa_elec: 0.316 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 62 fa_atr: -0.002 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.002 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 63 fa_atr: -0.707 fa_rep: 0.000 fa_sol: 0.688 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.316 fa_elec: 0.309 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1677c1669 < RSD_WTD: 66 fa_atr: -0.012 fa_rep: 0.000 fa_sol: 0.009 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.004 fa_elec: 0.060 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 66 fa_atr: -0.006 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.015 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1689c1681 < RSD_WTD: 78 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.006 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 78 fa_atr: -0.004 fa_rep: 0.000 fa_sol: 0.004 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.002 fa_elec: 0.018 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1692,1693c1684,1685 < RSD_WTD: 81 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 82 fa_atr: -1.016 fa_rep: 1.275 fa_sol: 1.057 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.340 fa_elec: -4.638 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.116 angle_constraint: 0.335 dihedral_constraint: 0.418 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 81 fa_atr: -0.006 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.007 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 82 fa_atr: -1.049 fa_rep: 1.286 fa_sol: 1.066 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.347 fa_elec: -4.950 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.111 angle_constraint: 0.095 dihedral_constraint: 0.010 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1696,1697c1688,1689 < RSD_WTD: 85 fa_atr: -0.116 fa_rep: 0.000 fa_sol: 0.112 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.018 fa_elec: 0.076 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 86 fa_atr: -1.018 fa_rep: 1.178 fa_sol: 1.033 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.377 fa_elec: -4.693 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.168 angle_constraint: 0.000 dihedral_constraint: 0.082 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 85 fa_atr: -0.392 fa_rep: 0.000 fa_sol: 0.180 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.090 fa_elec: 0.179 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 86 fa_atr: -1.165 fa_rep: 1.362 fa_sol: 1.133 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.321 fa_elec: -4.778 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.084 angle_constraint: 0.084 dihedral_constraint: 0.022 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1699,1700c1691,1692 < RSD_WTD: 88 fa_atr: -0.182 fa_rep: 0.000 fa_sol: 0.037 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.026 fa_elec: 0.067 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 89 fa_atr: -0.400 fa_rep: 0.000 fa_sol: 0.659 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.167 fa_elec: -0.323 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 88 fa_atr: -0.503 fa_rep: 0.035 fa_sol: -0.044 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.023 fa_elec: 0.023 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 89 fa_atr: -0.516 fa_rep: 0.000 fa_sol: 0.721 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.006 fa_elec: -0.071 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1703,1705c1695,1697 < RSD_WTD: 92 fa_atr: -0.032 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.026 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 93 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.003 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 94 fa_atr: -0.586 fa_rep: 2.461 fa_sol: 0.707 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.086 fa_elec: -10.009 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.280 angle_constraint: 0.334 dihedral_constraint: 0.501 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 92 fa_atr: -0.030 fa_rep: 0.000 fa_sol: 0.001 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.003 fa_elec: -0.010 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 93 fa_atr: -0.045 fa_rep: 0.000 fa_sol: 0.086 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.033 fa_elec: -0.061 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 94 fa_atr: -0.591 fa_rep: 2.635 fa_sol: 0.719 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.084 fa_elec: -10.363 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.196 angle_constraint: 0.178 dihedral_constraint: 0.032 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62155/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0002.pdb /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/1YZM_1_H12H16_1_ZNX.1YZM_1_H35H39_1_ZNX_360_INPUT_0002.pdb 12,754c12,748 < ATOM 1 N GLY A 1 -5.570 14.621 1.255 1.00 0.00 N < ATOM 2 CA GLY A 1 -4.271 14.235 1.869 1.00 0.00 C < ATOM 3 C GLY A 1 -4.372 13.159 2.931 1.00 0.00 C < ATOM 4 O GLY A 1 -4.079 11.996 2.665 1.00 0.00 O < ATOM 5 1H GLY A 1 -5.894 15.565 1.322 1.00 0.00 H < ATOM 6 2H GLY A 1 -5.710 14.510 0.270 1.00 0.00 H < ATOM 7 3H GLY A 1 -6.415 14.177 1.552 1.00 0.00 H < ATOM 8 1HA GLY A 1 -3.606 13.861 1.089 1.00 0.00 H < ATOM 9 2HA GLY A 1 -3.824 15.112 2.336 1.00 0.00 H < ATOM 10 N SER A 2 -4.788 13.550 4.135 1.00 0.00 N < ATOM 11 CA SER A 2 -4.819 12.649 5.294 1.00 0.00 C < ATOM 12 C SER A 2 -5.358 11.240 5.013 1.00 0.00 C < ATOM 13 O SER A 2 -4.672 10.264 5.306 1.00 0.00 O < ATOM 14 CB SER A 2 -5.640 13.292 6.395 1.00 0.00 C < ATOM 15 OG SER A 2 -5.027 14.444 6.904 1.00 0.00 O < ATOM 16 H SER A 2 -5.093 14.505 4.246 1.00 0.00 H < ATOM 17 HA SER A 2 -3.846 12.528 5.774 1.00 0.00 H < ATOM 18 1HB SER A 2 -6.616 13.557 5.991 1.00 0.00 H < ATOM 19 2HB SER A 2 -5.766 12.571 7.202 1.00 0.00 H < ATOM 20 HG SER A 2 -4.196 14.593 6.445 1.00 0.00 H < ATOM 21 N PRO A 3 -6.584 11.123 4.472 1.00 0.00 N < ATOM 22 CA PRO A 3 -7.151 9.779 4.286 1.00 0.00 C < ATOM 23 C PRO A 3 -6.360 8.908 3.294 1.00 0.00 C < ATOM 24 O PRO A 3 -6.436 7.673 3.363 1.00 0.00 O < ATOM 25 CB PRO A 3 -8.571 10.060 3.784 1.00 0.00 C < ATOM 26 CG PRO A 3 -8.494 11.427 3.197 1.00 0.00 C < ATOM 27 CD PRO A 3 -7.579 12.202 4.106 1.00 0.00 C < ATOM 28 HA PRO A 3 -7.146 9.183 5.210 1.00 0.00 H < ATOM 29 1HB PRO A 3 -8.885 9.321 3.032 1.00 0.00 H < ATOM 30 2HB PRO A 3 -9.304 10.019 4.603 1.00 0.00 H < ATOM 31 1HG PRO A 3 -8.099 11.398 2.170 1.00 0.00 H < ATOM 32 2HG PRO A 3 -9.488 11.894 3.145 1.00 0.00 H < ATOM 33 1HD PRO A 3 -7.122 13.065 3.600 1.00 0.00 H < ATOM 34 2HD PRO A 3 -8.104 12.589 4.991 1.00 0.00 H < ATOM 35 N LEU A 4 -5.614 9.541 2.389 1.00 0.00 N < ATOM 36 CA LEU A 4 -4.775 8.814 1.424 1.00 0.00 C < ATOM 37 C LEU A 4 -3.536 8.230 2.096 1.00 0.00 C < ATOM 38 O LEU A 4 -3.175 7.076 1.858 1.00 0.00 O < ATOM 39 CB LEU A 4 -4.364 9.739 0.271 1.00 0.00 C < ATOM 40 CG LEU A 4 -5.496 10.128 -0.688 1.00 0.00 C < ATOM 41 CD1 LEU A 4 -5.002 11.169 -1.684 1.00 0.00 C < ATOM 42 CD2 LEU A 4 -6.000 8.888 -1.411 1.00 0.00 C < ATOM 43 H LEU A 4 -5.627 10.550 2.367 1.00 0.00 H < ATOM 44 HA LEU A 4 -5.332 7.971 1.017 1.00 0.00 H < ATOM 45 1HB LEU A 4 -4.046 10.607 0.845 1.00 0.00 H < ATOM 46 2HB LEU A 4 -3.515 9.340 -0.285 1.00 0.00 H < ATOM 47 HG LEU A 4 -6.314 10.517 -0.083 1.00 0.00 H < ATOM 48 1HD1 LEU A 4 -5.812 11.439 -2.362 1.00 0.00 H < ATOM 49 2HD1 LEU A 4 -4.668 12.057 -1.147 1.00 0.00 H < ATOM 50 3HD1 LEU A 4 -4.172 10.758 -2.259 1.00 0.00 H < ATOM 51 1HD2 LEU A 4 -6.805 9.166 -2.092 1.00 0.00 H < ATOM 52 2HD2 LEU A 4 -5.184 8.438 -1.978 1.00 0.00 H < ATOM 53 3HD2 LEU A 4 -6.374 8.168 -0.684 1.00 0.00 H < ATOM 54 N LEU A 5 -2.874 9.028 2.928 1.00 0.00 N < ATOM 55 CA LEU A 5 -1.694 8.560 3.648 1.00 0.00 C < ATOM 56 C LEU A 5 -2.051 7.451 4.648 1.00 0.00 C < ATOM 57 O LEU A 5 -1.302 6.489 4.804 1.00 0.00 O < ATOM 58 CB LEU A 5 -1.018 9.734 4.367 1.00 0.00 C < ATOM 59 CG LEU A 5 0.318 9.402 5.046 1.00 0.00 C < ATOM 60 CD1 LEU A 5 1.319 8.905 4.012 1.00 0.00 C < ATOM 61 CD2 LEU A 5 0.847 10.637 5.760 1.00 0.00 C < ATOM 62 H LEU A 5 -3.190 9.977 3.067 1.00 0.00 H < ATOM 63 HA LEU A 5 -0.987 8.120 2.944 1.00 0.00 H < ATOM 64 1HB LEU A 5 -0.850 10.390 3.515 1.00 0.00 H < ATOM 65 2HB LEU A 5 -1.692 10.217 5.072 1.00 0.00 H < ATOM 66 HG LEU A 5 0.118 8.641 5.801 1.00 0.00 H < ATOM 67 1HD1 LEU A 5 2.265 8.671 4.502 1.00 0.00 H < ATOM 68 2HD1 LEU A 5 0.930 8.007 3.531 1.00 0.00 H < ATOM 69 3HD1 LEU A 5 1.482 9.678 3.262 1.00 0.00 H < ATOM 70 1HD2 LEU A 5 1.795 10.398 6.242 1.00 0.00 H < ATOM 71 2HD2 LEU A 5 0.997 11.438 5.036 1.00 0.00 H < ATOM 72 3HD2 LEU A 5 0.127 10.958 6.513 1.00 0.00 H < ATOM 73 N GLN A 6 -3.187 7.591 5.324 1.00 0.00 N < ATOM 74 CA GLN A 6 -3.659 6.572 6.267 1.00 0.00 C < ATOM 75 C GLN A 6 -3.881 5.233 5.557 1.00 0.00 C < ATOM 76 O GLN A 6 -3.505 4.172 6.074 1.00 0.00 O < ATOM 77 CB GLN A 6 -4.957 7.024 6.942 1.00 0.00 C < ATOM 78 CG GLN A 6 -4.773 8.128 7.968 1.00 0.00 C < ATOM 79 CD GLN A 6 -6.094 8.656 8.494 1.00 0.00 C < ATOM 80 OE1 GLN A 6 -7.167 8.265 8.023 1.00 0.00 O < ATOM 81 NE2 GLN A 6 -6.026 9.551 9.474 1.00 0.00 N < ATOM 82 H GLN A 6 -3.739 8.425 5.183 1.00 0.00 H < ATOM 83 HA GLN A 6 -2.900 6.401 7.029 1.00 0.00 H < ATOM 84 1HB GLN A 6 -5.622 7.364 6.148 1.00 0.00 H < ATOM 85 2HB GLN A 6 -5.385 6.144 7.421 1.00 0.00 H < ATOM 86 1HG GLN A 6 -4.088 8.042 8.811 1.00 0.00 H < ATOM 87 2HG GLN A 6 -4.376 8.848 7.251 1.00 0.00 H < ATOM 88 1HE2 GLN A 6 -6.866 9.934 9.860 1.00 0.00 H < ATOM 89 2HE2 GLN A 6 -5.137 9.842 9.825 1.00 0.00 H < ATOM 90 N GLN A 7 -4.492 5.289 4.375 1.00 0.00 N < ATOM 91 CA GLN A 7 -4.737 4.092 3.559 1.00 0.00 C < ATOM 92 C GLN A 7 -3.428 3.498 3.057 1.00 0.00 C < ATOM 93 O GLN A 7 -3.265 2.275 3.025 1.00 0.00 O < ATOM 94 CB GLN A 7 -5.641 4.424 2.368 1.00 0.00 C < ATOM 95 CG GLN A 7 -6.073 3.212 1.559 1.00 0.00 C < ATOM 96 CD GLN A 7 -6.982 2.286 2.344 1.00 0.00 C < ATOM 97 OE1 GLN A 7 -7.936 2.729 2.989 1.00 0.00 O < ATOM 98 NE2 GLN A 7 -6.687 0.992 2.298 1.00 0.00 N < ATOM 99 H GLN A 7 -4.796 6.188 4.032 1.00 0.00 H < ATOM 100 HA GLN A 7 -5.216 3.326 4.168 1.00 0.00 H < ATOM 101 1HB GLN A 7 -6.518 4.931 2.770 1.00 0.00 H < ATOM 102 2HB GLN A 7 -5.084 5.111 1.732 1.00 0.00 H < ATOM 103 1HG GLN A 7 -6.469 3.289 0.547 1.00 0.00 H < ATOM 104 2HG GLN A 7 -5.076 2.771 1.525 1.00 0.00 H < ATOM 105 1HE2 GLN A 7 -7.250 0.332 2.795 1.00 0.00 H < ATOM 106 2HE2 GLN A 7 -5.903 0.675 1.764 1.00 0.00 H < ATOM 107 N ILE A 8 -2.499 4.364 2.662 1.00 0.00 N < ATOM 108 CA ILE A 8 -1.152 3.950 2.261 1.00 0.00 C < ATOM 109 C ILE A 8 -0.422 3.218 3.400 1.00 0.00 C < ATOM 110 O ILE A 8 0.203 2.175 3.163 1.00 0.00 O < ATOM 111 CB ILE A 8 -0.306 5.157 1.814 1.00 0.00 C < ATOM 112 CG1 ILE A 8 -0.779 5.663 0.448 1.00 0.00 C < ATOM 113 CG2 ILE A 8 1.168 4.784 1.766 1.00 0.00 C < ATOM 114 CD1 ILE A 8 -0.212 7.012 0.069 1.00 0.00 C < ATOM 115 H ILE A 8 -2.740 5.345 2.639 1.00 0.00 H < ATOM 116 HA ILE A 8 -1.199 3.219 1.455 1.00 0.00 H < ATOM 117 HB ILE A 8 -0.452 5.973 2.518 1.00 0.00 H < ATOM 118 1HG1 ILE A 8 -0.481 4.921 -0.294 1.00 0.00 H < ATOM 119 2HG1 ILE A 8 -1.866 5.722 0.484 1.00 0.00 H < ATOM 120 1HG2 ILE A 8 1.752 5.647 1.447 1.00 0.00 H < ATOM 121 2HG2 ILE A 8 1.496 4.470 2.755 1.00 0.00 H < ATOM 122 3HG2 ILE A 8 1.314 3.966 1.059 1.00 0.00 H < ATOM 123 1HD1 ILE A 8 -0.592 7.305 -0.910 1.00 0.00 H < ATOM 124 2HD1 ILE A 8 -0.511 7.755 0.809 1.00 0.00 H < ATOM 125 3HD1 ILE A 8 0.875 6.955 0.031 1.00 0.00 H < ATOM 126 N HIS A 9 -0.505 3.747 4.623 1.00 0.00 N < ATOM 127 CA HIS A 9 0.110 3.090 5.789 1.00 0.00 C < ATOM 128 C HIS A 9 -0.534 1.724 6.041 1.00 0.00 C < ATOM 129 O HIS A 9 0.141 0.750 6.388 1.00 0.00 O < ATOM 130 CB HIS A 9 -0.020 3.963 7.041 1.00 0.00 C < ATOM 131 CG HIS A 9 0.935 5.115 7.073 1.00 0.00 C < ATOM 132 ND1 HIS A 9 0.821 6.151 7.977 1.00 0.00 N < ATOM 133 CD2 HIS A 9 2.020 5.396 6.313 1.00 0.00 C < ATOM 134 CE1 HIS A 9 1.796 7.019 7.771 1.00 0.00 C < ATOM 135 NE2 HIS A 9 2.536 6.585 6.768 1.00 0.00 N < ATOM 136 H HIS A 9 -1.001 4.616 4.753 1.00 0.00 H < ATOM 137 HA HIS A 9 1.167 2.910 5.592 1.00 0.00 H < ATOM 138 1HB HIS A 9 -1.034 4.358 7.106 1.00 0.00 H < ATOM 139 2HB HIS A 9 0.151 3.354 7.928 1.00 0.00 H < ATOM 140 HD2 HIS A 9 2.410 4.792 5.493 1.00 0.00 H < ATOM 141 HE1 HIS A 9 1.962 7.938 8.334 1.00 0.00 H < ATOM 142 HE2 HIS A 9 3.351 7.047 6.391 1.00 0.00 H < ATOM 143 N ASN A 10 -1.853 1.675 5.898 1.00 0.00 N < ATOM 144 CA ASN A 10 -2.598 0.434 6.079 1.00 0.00 C < ATOM 145 C ASN A 10 -2.214 -0.640 5.065 1.00 0.00 C < ATOM 146 O ASN A 10 -1.983 -1.784 5.455 1.00 0.00 O < ATOM 147 CB ASN A 10 -4.093 0.686 6.021 1.00 0.00 C < ATOM 148 CG ASN A 10 -4.636 1.390 7.234 1.00 0.00 C < ATOM 149 OD1 ASN A 10 -4.019 1.390 8.305 1.00 0.00 O < ATOM 150 ND2 ASN A 10 -5.824 1.920 7.094 1.00 0.00 N < ATOM 151 H ASN A 10 -2.353 2.518 5.657 1.00 0.00 H < ATOM 152 HA ASN A 10 -2.370 0.005 7.056 1.00 0.00 H < ATOM 153 1HB ASN A 10 -4.554 1.108 5.127 1.00 0.00 H < ATOM 154 2HB ASN A 10 -4.338 -0.374 6.090 1.00 0.00 H < ATOM 155 1HD2 ASN A 10 -6.249 2.404 7.860 1.00 0.00 H < ATOM 156 2HD2 ASN A 10 -6.308 1.841 6.222 1.00 0.00 H < ATOM 157 N ILE A 11 -2.132 -0.295 3.779 1.00 0.00 N < ATOM 158 CA ILE A 11 -1.782 -1.301 2.763 1.00 0.00 C < ATOM 159 C ILE A 11 -0.357 -1.804 2.994 1.00 0.00 C < ATOM 160 O ILE A 11 -0.090 -3.007 2.924 1.00 0.00 O < ATOM 161 CB ILE A 11 -1.898 -0.743 1.333 1.00 0.00 C < ATOM 162 CG1 ILE A 11 -3.352 -0.383 1.017 1.00 0.00 C < ATOM 163 CG2 ILE A 11 -1.365 -1.747 0.324 1.00 0.00 C < ATOM 164 CD1 ILE A 11 -4.301 -1.557 1.086 1.00 0.00 C < ATOM 165 H ILE A 11 -2.307 0.656 3.489 1.00 0.00 H < ATOM 166 HA ILE A 11 -2.420 -2.180 2.856 1.00 0.00 H < ATOM 167 HB ILE A 11 -1.324 0.181 1.264 1.00 0.00 H < ATOM 168 1HG1 ILE A 11 -3.661 0.377 1.734 1.00 0.00 H < ATOM 169 2HG1 ILE A 11 -3.371 0.039 0.012 1.00 0.00 H < ATOM 170 1HG2 ILE A 11 -1.455 -1.336 -0.682 1.00 0.00 H < ATOM 171 2HG2 ILE A 11 -0.317 -1.956 0.537 1.00 0.00 H < ATOM 172 3HG2 ILE A 11 -1.940 -2.671 0.391 1.00 0.00 H < ATOM 173 1HD1 ILE A 11 -5.311 -1.223 0.849 1.00 0.00 H < ATOM 174 2HD1 ILE A 11 -3.994 -2.317 0.367 1.00 0.00 H < ATOM 175 3HD1 ILE A 11 -4.286 -1.981 2.089 1.00 0.00 H < ATOM 176 N HIS A 12 0.588 -0.880 3.295 1.00 0.00 N < ATOM 177 CA HIS A 12 1.956 -1.279 3.610 1.00 0.00 C < ATOM 178 C HIS A 12 1.982 -2.268 4.751 1.00 0.00 C < ATOM 179 O HIS A 12 2.672 -3.301 4.670 1.00 0.00 O < ATOM 180 CB HIS A 12 2.819 -0.062 3.961 1.00 0.00 C < ATOM 181 CG HIS A 12 4.026 -0.398 4.778 1.00 0.00 C < ATOM 182 ND1 HIS A 12 4.043 -0.308 6.155 1.00 0.00 N < ATOM 183 CD2 HIS A 12 5.259 -0.822 4.414 1.00 0.00 C < ATOM 184 CE1 HIS A 12 5.235 -0.661 6.602 1.00 0.00 C < ATOM 185 NE2 HIS A 12 5.990 -0.979 5.564 1.00 0.00 N < ATOM 186 H HIS A 12 0.347 0.101 3.303 1.00 0.00 H < ATOM 187 HA HIS A 12 2.401 -1.781 2.750 1.00 0.00 H < ATOM 188 1HB HIS A 12 3.181 0.417 3.051 1.00 0.00 H < ATOM 189 2HB HIS A 12 2.238 0.654 4.540 1.00 0.00 H < ATOM 190 HD1 HIS A 12 3.263 -0.091 6.742 1.00 0.00 H < ATOM 191 HD2 HIS A 12 5.713 -1.037 3.446 1.00 0.00 H < ATOM 192 HE1 HIS A 12 5.451 -0.657 7.669 1.00 0.00 H < ATOM 193 N SER A 13 1.284 -1.969 5.843 1.00 0.00 N < ATOM 194 CA SER A 13 1.195 -2.890 6.985 1.00 0.00 C < ATOM 195 C SER A 13 0.574 -4.232 6.598 1.00 0.00 C < ATOM 196 O SER A 13 1.048 -5.283 7.033 1.00 0.00 O < ATOM 197 CB SER A 13 0.396 -2.251 8.104 1.00 0.00 C < ATOM 198 OG SER A 13 1.056 -1.145 8.658 1.00 0.00 O < ATOM 199 H SER A 13 0.803 -1.083 5.888 1.00 0.00 H < ATOM 200 HA SER A 13 2.154 -3.067 7.474 1.00 0.00 H < ATOM 201 1HB SER A 13 -0.565 -1.929 7.705 1.00 0.00 H < ATOM 202 2HB SER A 13 0.233 -2.994 8.884 1.00 0.00 H < ATOM 203 HG SER A 13 1.890 -1.011 8.202 1.00 0.00 H < ATOM 204 N PHE A 14 -0.480 -4.209 5.783 1.00 0.00 N < ATOM 205 CA PHE A 14 -1.113 -5.454 5.319 1.00 0.00 C < ATOM 206 C PHE A 14 -0.142 -6.325 4.505 1.00 0.00 C < ATOM 207 O PHE A 14 -0.168 -7.552 4.616 1.00 0.00 O < ATOM 208 CB PHE A 14 -2.355 -5.136 4.483 1.00 0.00 C < ATOM 209 CG PHE A 14 -3.466 -4.498 5.267 1.00 0.00 C < ATOM 210 CD1 PHE A 14 -3.482 -4.562 6.652 1.00 0.00 C < ATOM 211 CD2 PHE A 14 -4.498 -3.835 4.621 1.00 0.00 C < ATOM 212 CE1 PHE A 14 -4.504 -3.976 7.375 1.00 0.00 C < ATOM 213 CE2 PHE A 14 -5.520 -3.247 5.340 1.00 0.00 C < ATOM 214 CZ PHE A 14 -5.524 -3.318 6.719 1.00 0.00 C < ATOM 215 H PHE A 14 -0.853 -3.323 5.474 1.00 0.00 H < ATOM 216 HA PHE A 14 -1.413 -6.058 6.176 1.00 0.00 H < ATOM 217 1HB PHE A 14 -2.100 -4.444 3.682 1.00 0.00 H < ATOM 218 2HB PHE A 14 -2.762 -6.052 4.054 1.00 0.00 H < ATOM 219 HD1 PHE A 14 -2.675 -5.082 7.170 1.00 0.00 H < ATOM 220 HD2 PHE A 14 -4.496 -3.779 3.531 1.00 0.00 H < ATOM 221 HE1 PHE A 14 -4.504 -4.034 8.463 1.00 0.00 H < ATOM 222 HE2 PHE A 14 -6.324 -2.727 4.820 1.00 0.00 H < ATOM 223 HZ PHE A 14 -6.330 -2.858 7.286 1.00 0.00 H < ATOM 224 N ILE A 15 0.694 -5.707 3.675 1.00 0.00 N < ATOM 225 CA ILE A 15 1.687 -6.454 2.892 1.00 0.00 C < ATOM 226 C ILE A 15 2.656 -7.212 3.821 1.00 0.00 C < ATOM 227 O ILE A 15 2.959 -8.385 3.584 1.00 0.00 O < ATOM 228 CB ILE A 15 2.481 -5.513 1.969 1.00 0.00 C < ATOM 229 CG1 ILE A 15 1.581 -4.972 0.855 1.00 0.00 C < ATOM 230 CG2 ILE A 15 3.684 -6.235 1.381 1.00 0.00 C < ATOM 231 CD1 ILE A 15 2.187 -3.822 0.084 1.00 0.00 C < ATOM 232 H ILE A 15 0.647 -4.703 3.579 1.00 0.00 H < ATOM 233 HA ILE A 15 1.203 -7.230 2.299 1.00 0.00 H < ATOM 234 HB ILE A 15 2.829 -4.652 2.539 1.00 0.00 H < ATOM 235 1HG1 ILE A 15 1.352 -5.772 0.152 1.00 0.00 H < ATOM 236 2HG1 ILE A 15 0.636 -4.634 1.283 1.00 0.00 H < ATOM 237 1HG2 ILE A 15 4.234 -5.555 0.730 1.00 0.00 H < ATOM 238 2HG2 ILE A 15 4.335 -6.572 2.187 1.00 0.00 H < ATOM 239 3HG2 ILE A 15 3.346 -7.095 0.804 1.00 0.00 H < ATOM 240 1HD1 ILE A 15 1.490 -3.493 -0.687 1.00 0.00 H < ATOM 241 2HD1 ILE A 15 2.392 -2.995 0.765 1.00 0.00 H < ATOM 242 3HD1 ILE A 15 3.116 -4.147 -0.383 1.00 0.00 H < ATOM 243 N HIS A 16 3.149 -6.545 4.901 1.00 0.00 N < ATOM 244 CA HIS A 16 4.041 -7.207 5.848 1.00 0.00 C < ATOM 245 C HIS A 16 3.384 -8.429 6.444 1.00 0.00 C < ATOM 246 O HIS A 16 4.035 -9.463 6.630 1.00 0.00 O < ATOM 247 CB HIS A 16 4.464 -6.244 6.961 1.00 0.00 C < ATOM 248 CG HIS A 16 5.694 -5.453 6.638 1.00 0.00 C < ATOM 249 ND1 HIS A 16 6.918 -6.043 6.410 1.00 0.00 N < ATOM 250 CD2 HIS A 16 5.887 -4.119 6.508 1.00 0.00 C < ATOM 251 CE1 HIS A 16 7.813 -5.107 6.150 1.00 0.00 C < ATOM 252 NE2 HIS A 16 7.214 -3.930 6.203 1.00 0.00 N < ATOM 253 H HIS A 16 2.899 -5.579 5.055 1.00 0.00 H < ATOM 254 HA HIS A 16 4.937 -7.552 5.331 1.00 0.00 H < ATOM 255 1HB HIS A 16 3.670 -5.520 7.154 1.00 0.00 H < ATOM 256 2HB HIS A 16 4.679 -6.798 7.874 1.00 0.00 H < ATOM 257 HD1 HIS A 16 7.101 -7.026 6.359 1.00 0.00 H < ATOM 258 HD2 HIS A 16 5.221 -3.262 6.597 1.00 0.00 H < ATOM 259 HE1 HIS A 16 8.849 -5.372 5.940 1.00 0.00 H < ATOM 260 N GLN A 17 2.112 -8.308 6.792 1.00 0.00 N < ATOM 261 CA GLN A 17 1.365 -9.442 7.324 1.00 0.00 C < ATOM 262 C GLN A 17 1.194 -10.554 6.283 1.00 0.00 C < ATOM 263 O GLN A 17 1.400 -11.740 6.594 1.00 0.00 O < ATOM 264 CB GLN A 17 -0.010 -8.983 7.818 1.00 0.00 C < ATOM 265 CG GLN A 17 0.034 -8.119 9.066 1.00 0.00 C < ATOM 266 CD GLN A 17 -1.331 -7.572 9.439 1.00 0.00 C < ATOM 267 OE1 GLN A 17 -2.310 -7.753 8.709 1.00 0.00 O < ATOM 268 NE2 GLN A 17 -1.405 -6.895 10.579 1.00 0.00 N < ATOM 269 H GLN A 17 1.646 -7.417 6.688 1.00 0.00 H < ATOM 270 HA GLN A 17 1.917 -9.888 8.150 1.00 0.00 H < ATOM 271 1HB GLN A 17 -0.469 -8.428 7.000 1.00 0.00 H < ATOM 272 2HB GLN A 17 -0.590 -9.885 8.015 1.00 0.00 H < ATOM 273 1HG GLN A 17 0.532 -8.433 9.983 1.00 0.00 H < ATOM 274 2HG GLN A 17 0.610 -7.321 8.596 1.00 0.00 H < ATOM 275 1HE2 GLN A 17 -2.279 -6.511 10.877 1.00 0.00 H < ATOM 276 2HE2 GLN A 17 -0.587 -6.770 11.140 1.00 0.00 H < ATOM 277 N ALA A 18 0.825 -10.180 5.055 1.00 0.00 N < ATOM 278 CA ALA A 18 0.668 -11.143 3.956 1.00 0.00 C < ATOM 279 C ALA A 18 1.977 -11.879 3.651 1.00 0.00 C < ATOM 280 O ALA A 18 1.976 -13.084 3.369 1.00 0.00 O < ATOM 281 CB ALA A 18 0.156 -10.438 2.708 1.00 0.00 C < ATOM 282 H ALA A 18 0.647 -9.202 4.881 1.00 0.00 H < ATOM 283 HA ALA A 18 -0.059 -11.899 4.253 1.00 0.00 H < ATOM 284 1HB ALA A 18 0.044 -11.164 1.902 1.00 0.00 H < ATOM 285 2HB ALA A 18 -0.811 -9.981 2.919 1.00 0.00 H < ATOM 286 3HB ALA A 18 0.865 -9.670 2.407 1.00 0.00 H < ATOM 287 N LYS A 19 3.098 -11.163 3.705 1.00 0.00 N < ATOM 288 CA LYS A 19 4.403 -11.785 3.484 1.00 0.00 C < ATOM 289 C LYS A 19 4.712 -12.795 4.600 1.00 0.00 C < ATOM 290 O LYS A 19 5.120 -13.926 4.315 1.00 0.00 O < ATOM 291 CB LYS A 19 5.501 -10.722 3.407 1.00 0.00 C < ATOM 292 CG LYS A 19 5.508 -9.919 2.113 1.00 0.00 C < ATOM 293 CD LYS A 19 6.577 -8.836 2.141 1.00 0.00 C < ATOM 294 CE LYS A 19 7.975 -9.438 2.139 1.00 0.00 C < ATOM 295 NZ LYS A 19 9.031 -8.390 2.093 1.00 0.00 N < ATOM 296 H LYS A 19 3.052 -10.173 3.902 1.00 0.00 H < ATOM 297 HA LYS A 19 4.393 -12.341 2.545 1.00 0.00 H < ATOM 298 1HB LYS A 19 5.353 -10.049 4.252 1.00 0.00 H < ATOM 299 2HB LYS A 19 6.455 -11.239 3.518 1.00 0.00 H < ATOM 300 1HG LYS A 19 5.701 -10.600 1.283 1.00 0.00 H < ATOM 301 2HG LYS A 19 4.529 -9.460 1.984 1.00 0.00 H < ATOM 302 1HD LYS A 19 6.453 -8.203 1.261 1.00 0.00 H < ATOM 303 2HD LYS A 19 6.441 -8.238 3.041 1.00 0.00 H < ATOM 304 1HE LYS A 19 8.093 -10.032 3.044 1.00 0.00 H < ATOM 305 2HE LYS A 19 8.067 -10.085 1.266 1.00 0.00 H < ATOM 306 1HZ LYS A 19 9.941 -8.830 2.092 1.00 0.00 H < ATOM 307 2HZ LYS A 19 8.923 -7.839 1.252 1.00 0.00 H < ATOM 308 3HZ LYS A 19 8.947 -7.791 2.901 1.00 0.00 H < ATOM 309 N ALA A 20 4.499 -12.394 5.854 1.00 0.00 N < ATOM 310 CA ALA A 20 4.720 -13.277 7.008 1.00 0.00 C < ATOM 311 C ALA A 20 3.878 -14.554 6.949 1.00 0.00 C < ATOM 312 O ALA A 20 4.340 -15.624 7.364 1.00 0.00 O < ATOM 313 CB ALA A 20 4.437 -12.526 8.300 1.00 0.00 C < ATOM 314 H ALA A 20 4.174 -11.451 6.011 1.00 0.00 H < ATOM 315 HA ALA A 20 5.763 -13.597 7.009 1.00 0.00 H < ATOM 316 1HB ALA A 20 4.605 -13.189 9.149 1.00 0.00 H < ATOM 317 2HB ALA A 20 5.103 -11.667 8.375 1.00 0.00 H < ATOM 318 3HB ALA A 20 3.403 -12.187 8.304 1.00 0.00 H < ATOM 319 N ALA A 21 2.652 -14.432 6.437 1.00 0.00 N < ATOM 320 CA ALA A 21 1.735 -15.570 6.281 1.00 0.00 C < ATOM 321 C ALA A 21 1.987 -16.378 5.002 1.00 0.00 C < ATOM 322 O ALA A 21 1.327 -17.393 4.774 1.00 0.00 O < ATOM 323 CB ALA A 21 0.294 -15.079 6.311 1.00 0.00 C < ATOM 324 H ALA A 21 2.349 -13.514 6.145 1.00 0.00 H < ATOM 325 HA ALA A 21 1.890 -16.260 7.111 1.00 0.00 H < ATOM 326 1HB ALA A 21 -0.381 -15.928 6.195 1.00 0.00 H < ATOM 327 2HB ALA A 21 0.097 -14.586 7.263 1.00 0.00 H < ATOM 328 3HB ALA A 21 0.133 -14.375 5.497 1.00 0.00 H < ATOM 329 N GLY A 22 2.930 -15.941 4.170 1.00 0.00 N < ATOM 330 CA GLY A 22 3.210 -16.610 2.898 1.00 0.00 C < ATOM 331 C GLY A 22 2.110 -16.474 1.857 1.00 0.00 C < ATOM 332 O GLY A 22 1.978 -17.332 0.986 1.00 0.00 O < ATOM 333 H GLY A 22 3.467 -15.125 4.426 1.00 0.00 H < ATOM 334 1HA GLY A 22 4.118 -16.188 2.465 1.00 0.00 H < ATOM 335 2HA GLY A 22 3.356 -17.674 3.078 1.00 0.00 H < ATOM 336 N ARG A 23 1.333 -15.395 1.940 1.00 0.00 N < ATOM 337 CA ARG A 23 0.187 -15.185 1.043 1.00 0.00 C < ATOM 338 C ARG A 23 0.591 -14.316 -0.154 1.00 0.00 C < ATOM 339 O ARG A 23 0.264 -13.122 -0.200 1.00 0.00 O < ATOM 340 CB ARG A 23 -1.020 -14.610 1.770 1.00 0.00 C < ATOM 341 CG ARG A 23 -1.560 -15.477 2.897 1.00 0.00 C < ATOM 342 CD ARG A 23 -2.598 -14.819 3.732 1.00 0.00 C < ATOM 343 NE ARG A 23 -3.876 -14.630 3.065 1.00 0.00 N < ATOM 344 CZ ARG A 23 -4.870 -13.845 3.526 1.00 0.00 C < ATOM 345 NH1 ARG A 23 -4.755 -13.208 4.669 1.00 0.00 N < ATOM 346 NH2 ARG A 23 -5.976 -13.753 2.807 1.00 0.00 N < ATOM 347 H ARG A 23 1.543 -14.701 2.641 1.00 0.00 H < ATOM 348 HA ARG A 23 -0.149 -16.142 0.642 1.00 0.00 H < ATOM 349 1HB ARG A 23 -0.718 -13.644 2.172 1.00 0.00 H < ATOM 350 2HB ARG A 23 -1.800 -14.464 1.024 1.00 0.00 H < ATOM 351 1HG ARG A 23 -1.997 -16.377 2.464 1.00 0.00 H < ATOM 352 2HG ARG A 23 -0.730 -15.755 3.548 1.00 0.00 H < ATOM 353 1HD ARG A 23 -2.779 -15.429 4.617 1.00 0.00 H < ATOM 354 2HD ARG A 23 -2.237 -13.837 4.034 1.00 0.00 H < ATOM 355 HE ARG A 23 -4.216 -15.026 2.199 1.00 0.00 H < ATOM 356 1HH1 ARG A 23 -3.911 -13.304 5.214 1.00 0.00 H < ATOM 357 2HH1 ARG A 23 -5.512 -12.625 4.996 1.00 0.00 H < ATOM 358 1HH2 ARG A 23 -6.055 -14.265 1.938 1.00 0.00 H < ATOM 359 2HH2 ARG A 23 -6.737 -13.173 3.128 1.00 0.00 H < ATOM 360 N MET A 24 1.281 -14.922 -1.119 1.00 0.00 N < ATOM 361 CA MET A 24 1.824 -14.197 -2.276 1.00 0.00 C < ATOM 362 C MET A 24 0.762 -13.529 -3.161 1.00 0.00 C < ATOM 363 O MET A 24 1.016 -12.460 -3.724 1.00 0.00 O < ATOM 364 CB MET A 24 2.664 -15.154 -3.120 1.00 0.00 C < ATOM 365 CG MET A 24 3.972 -15.584 -2.472 1.00 0.00 C < ATOM 366 SD MET A 24 5.078 -14.196 -2.148 1.00 0.00 S < ATOM 367 CE MET A 24 5.507 -13.709 -3.817 1.00 0.00 C < ATOM 368 H MET A 24 1.433 -15.918 -1.048 1.00 0.00 H < ATOM 369 HA MET A 24 2.454 -13.375 -1.937 1.00 0.00 H < ATOM 370 1HB MET A 24 2.048 -16.031 -3.313 1.00 0.00 H < ATOM 371 2HB MET A 24 2.877 -14.644 -4.061 1.00 0.00 H < ATOM 372 1HG MET A 24 3.738 -16.082 -1.532 1.00 0.00 H < ATOM 373 2HG MET A 24 4.467 -16.287 -3.143 1.00 0.00 H < ATOM 374 1HE MET A 24 6.188 -12.858 -3.784 1.00 0.00 H < ATOM 375 2HE MET A 24 5.992 -14.544 -4.327 1.00 0.00 H < ATOM 376 3HE MET A 24 4.603 -13.429 -4.359 1.00 0.00 H < ATOM 377 N ASP A 25 -0.410 -14.149 -3.298 1.00 0.00 N < ATOM 378 CA ASP A 25 -1.482 -13.541 -4.085 1.00 0.00 C < ATOM 379 C ASP A 25 -1.918 -12.216 -3.462 1.00 0.00 C < ATOM 380 O ASP A 25 -2.168 -11.237 -4.176 1.00 0.00 O < ATOM 381 CB ASP A 25 -2.677 -14.492 -4.199 1.00 0.00 C < ATOM 382 CG ASP A 25 -2.444 -15.689 -5.111 1.00 0.00 C < ATOM 383 OD1 ASP A 25 -1.479 -15.679 -5.838 1.00 0.00 O < ATOM 384 OD2 ASP A 25 -3.136 -16.667 -4.962 1.00 0.00 O < ATOM 385 H ASP A 25 -0.570 -15.045 -2.859 1.00 0.00 H < ATOM 386 HA ASP A 25 -1.121 -13.318 -5.090 1.00 0.00 H < ATOM 387 1HB ASP A 25 -3.050 -14.838 -3.236 1.00 0.00 H < ATOM 388 2HB ASP A 25 -3.409 -13.826 -4.656 1.00 0.00 H < ATOM 389 N GLU A 26 -1.987 -12.194 -2.131 1.00 0.00 N < ATOM 390 CA GLU A 26 -2.354 -10.991 -1.368 1.00 0.00 C < ATOM 391 C GLU A 26 -1.237 -9.952 -1.399 1.00 0.00 C < ATOM 392 O GLU A 26 -1.492 -8.750 -1.491 1.00 0.00 O < ATOM 393 CB GLU A 26 -2.688 -11.353 0.081 1.00 0.00 C < ATOM 394 CG GLU A 26 -3.988 -12.125 0.253 1.00 0.00 C < ATOM 395 CD GLU A 26 -5.167 -11.324 -0.228 1.00 0.00 C < ATOM 396 OE1 GLU A 26 -5.322 -10.210 0.212 1.00 0.00 O < ATOM 397 OE2 GLU A 26 -5.846 -11.779 -1.118 1.00 0.00 O < ATOM 398 H GLU A 26 -1.775 -13.048 -1.634 1.00 0.00 H < ATOM 399 HA GLU A 26 -3.228 -10.520 -1.818 1.00 0.00 H < ATOM 400 1HB GLU A 26 -1.859 -11.952 0.459 1.00 0.00 H < ATOM 401 2HB GLU A 26 -2.744 -10.418 0.638 1.00 0.00 H < ATOM 402 1HG GLU A 26 -3.984 -13.097 -0.242 1.00 0.00 H < ATOM 403 2HG GLU A 26 -4.061 -12.267 1.330 1.00 0.00 H < ATOM 404 N VAL A 27 0.008 -10.410 -1.308 1.00 0.00 N < ATOM 405 CA VAL A 27 1.146 -9.496 -1.409 1.00 0.00 C < ATOM 406 C VAL A 27 1.171 -8.789 -2.771 1.00 0.00 C < ATOM 407 O VAL A 27 1.381 -7.579 -2.820 1.00 0.00 O < ATOM 408 CB VAL A 27 2.481 -10.234 -1.198 1.00 0.00 C < ATOM 409 CG1 VAL A 27 3.648 -9.355 -1.620 1.00 0.00 C < ATOM 410 CG2 VAL A 27 2.632 -10.657 0.255 1.00 0.00 C < ATOM 411 H VAL A 27 0.179 -11.396 -1.169 1.00 0.00 H < ATOM 412 HA VAL A 27 1.073 -8.691 -0.679 1.00 0.00 H < ATOM 413 HB VAL A 27 2.481 -11.147 -1.795 1.00 0.00 H < ATOM 414 1HG1 VAL A 27 4.585 -9.893 -1.464 1.00 0.00 H < ATOM 415 2HG1 VAL A 27 3.549 -9.100 -2.675 1.00 0.00 H < ATOM 416 3HG1 VAL A 27 3.651 -8.443 -1.024 1.00 0.00 H < ATOM 417 1HG2 VAL A 27 3.580 -11.178 0.387 1.00 0.00 H < ATOM 418 2HG2 VAL A 27 2.610 -9.774 0.895 1.00 0.00 H < ATOM 419 3HG2 VAL A 27 1.813 -11.323 0.528 1.00 0.00 H < ATOM 420 N ARG A 28 0.958 -9.520 -3.869 1.00 0.00 N < ATOM 421 CA ARG A 28 0.945 -8.889 -5.204 1.00 0.00 C < ATOM 422 C ARG A 28 -0.208 -7.905 -5.412 1.00 0.00 C < ATOM 423 O ARG A 28 0.009 -6.811 -5.936 1.00 0.00 O < ATOM 424 CB ARG A 28 0.965 -9.929 -6.314 1.00 0.00 C < ATOM 425 CG ARG A 28 2.281 -10.676 -6.466 1.00 0.00 C < ATOM 426 CD ARG A 28 2.257 -11.758 -7.483 1.00 0.00 C < ATOM 427 NE ARG A 28 3.517 -12.465 -7.641 1.00 0.00 N < ATOM 428 CZ ARG A 28 3.697 -13.542 -8.430 1.00 0.00 C < ATOM 429 NH1 ARG A 28 2.695 -14.062 -9.105 1.00 0.00 N < ATOM 430 NH2 ARG A 28 4.904 -14.078 -8.491 1.00 0.00 N < ATOM 431 H ARG A 28 0.804 -10.515 -3.794 1.00 0.00 H < ATOM 432 HA ARG A 28 1.849 -8.295 -5.341 1.00 0.00 H < ATOM 433 1HB ARG A 28 0.171 -10.641 -6.098 1.00 0.00 H < ATOM 434 2HB ARG A 28 0.741 -9.406 -7.244 1.00 0.00 H < ATOM 435 1HG ARG A 28 3.055 -9.963 -6.754 1.00 0.00 H < ATOM 436 2HG ARG A 28 2.539 -11.123 -5.506 1.00 0.00 H < ATOM 437 1HD ARG A 28 1.503 -12.492 -7.201 1.00 0.00 H < ATOM 438 2HD ARG A 28 2.000 -11.329 -8.451 1.00 0.00 H < ATOM 439 HE ARG A 28 4.416 -12.284 -7.215 1.00 0.00 H < ATOM 440 1HH1 ARG A 28 1.775 -13.652 -9.034 1.00 0.00 H < ATOM 441 2HH1 ARG A 28 2.850 -14.870 -9.691 1.00 0.00 H < ATOM 442 1HH2 ARG A 28 5.659 -13.677 -7.953 1.00 0.00 H < ATOM 443 2HH2 ARG A 28 5.065 -14.886 -9.075 1.00 0.00 H < ATOM 444 N THR A 29 -1.424 -8.269 -5.008 1.00 0.00 N < ATOM 445 CA THR A 29 -2.541 -7.332 -5.144 1.00 0.00 C < ATOM 446 C THR A 29 -2.318 -6.087 -4.279 1.00 0.00 C < ATOM 447 O THR A 29 -2.510 -4.969 -4.766 1.00 0.00 O < ATOM 448 CB THR A 29 -3.879 -7.986 -4.754 1.00 0.00 C < ATOM 449 OG1 THR A 29 -4.153 -9.082 -5.636 1.00 0.00 O < ATOM 450 CG2 THR A 29 -5.012 -6.974 -4.840 1.00 0.00 C < ATOM 451 H THR A 29 -1.593 -9.181 -4.608 1.00 0.00 H < ATOM 452 HA THR A 29 -2.609 -6.986 -6.176 1.00 0.00 H < ATOM 453 HB THR A 29 -3.806 -8.362 -3.734 1.00 0.00 H < ATOM 454 HG1 THR A 29 -3.438 -9.168 -6.271 1.00 0.00 H < ATOM 455 1HG2 THR A 29 -5.949 -7.456 -4.561 1.00 0.00 H < ATOM 456 2HG2 THR A 29 -4.811 -6.146 -4.162 1.00 0.00 H < ATOM 457 3HG2 THR A 29 -5.086 -6.599 -5.860 1.00 0.00 H < ATOM 458 N LEU A 30 -1.908 -6.275 -3.019 1.00 0.00 N < ATOM 459 CA LEU A 30 -1.650 -5.134 -2.120 1.00 0.00 C < ATOM 460 C LEU A 30 -0.475 -4.264 -2.598 1.00 0.00 C < ATOM 461 O LEU A 30 -0.516 -3.039 -2.458 1.00 0.00 O < ATOM 462 CB LEU A 30 -1.384 -5.641 -0.697 1.00 0.00 C < ATOM 463 CG LEU A 30 -2.586 -6.290 0.001 1.00 0.00 C < ATOM 464 CD1 LEU A 30 -2.143 -6.943 1.303 1.00 0.00 C < ATOM 465 CD2 LEU A 30 -3.653 -5.238 0.261 1.00 0.00 C < ATOM 466 H LEU A 30 -1.771 -7.215 -2.675 1.00 0.00 H < ATOM 467 HA LEU A 30 -2.519 -4.476 -2.108 1.00 0.00 H < ATOM 468 1HB LEU A 30 -0.628 -6.392 -0.916 1.00 0.00 H < ATOM 469 2HB LEU A 30 -0.952 -4.864 -0.066 1.00 0.00 H < ATOM 470 HG LEU A 30 -3.002 -7.025 -0.689 1.00 0.00 H < ATOM 471 1HD1 LEU A 30 -3.003 -7.401 1.790 1.00 0.00 H < ATOM 472 2HD1 LEU A 30 -1.397 -7.709 1.090 1.00 0.00 H < ATOM 473 3HD1 LEU A 30 -1.714 -6.188 1.960 1.00 0.00 H < ATOM 474 1HD2 LEU A 30 -4.507 -5.701 0.756 1.00 0.00 H < ATOM 475 2HD2 LEU A 30 -3.244 -4.454 0.898 1.00 0.00 H < ATOM 476 3HD2 LEU A 30 -3.975 -4.804 -0.687 1.00 0.00 H < ATOM 477 N GLN A 31 0.577 -4.882 -3.131 1.00 0.00 N < ATOM 478 CA GLN A 31 1.717 -4.102 -3.626 1.00 0.00 C < ATOM 479 C GLN A 31 1.311 -3.169 -4.770 1.00 0.00 C < ATOM 480 O GLN A 31 1.750 -2.018 -4.813 1.00 0.00 O < ATOM 481 CB GLN A 31 2.840 -5.033 -4.089 1.00 0.00 C < ATOM 482 CG GLN A 31 4.119 -4.316 -4.487 1.00 0.00 C < ATOM 483 CD GLN A 31 4.783 -3.623 -3.312 1.00 0.00 C < ATOM 484 OE1 GLN A 31 5.042 -4.240 -2.275 1.00 0.00 O < ATOM 485 NE2 GLN A 31 5.062 -2.334 -3.467 1.00 0.00 N < ATOM 486 H GLN A 31 0.604 -5.890 -3.200 1.00 0.00 H < ATOM 487 HA GLN A 31 2.093 -3.460 -2.829 1.00 0.00 H < ATOM 488 1HB GLN A 31 3.082 -5.736 -3.292 1.00 0.00 H < ATOM 489 2HB GLN A 31 2.500 -5.614 -4.946 1.00 0.00 H < ATOM 490 1HG GLN A 31 4.820 -5.044 -4.895 1.00 0.00 H < ATOM 491 2HG GLN A 31 3.882 -3.563 -5.239 1.00 0.00 H < ATOM 492 1HE2 GLN A 31 5.501 -1.824 -2.726 1.00 0.00 H < ATOM 493 2HE2 GLN A 31 4.835 -1.872 -4.325 1.00 0.00 H < ATOM 494 N GLU A 32 0.461 -3.647 -5.677 1.00 0.00 N < ATOM 495 CA GLU A 32 -0.108 -2.796 -6.722 1.00 0.00 C < ATOM 496 C GLU A 32 -0.995 -1.687 -6.131 1.00 0.00 C < ATOM 497 O GLU A 32 -0.914 -0.537 -6.566 1.00 0.00 O < ATOM 498 CB GLU A 32 -0.911 -3.640 -7.713 1.00 0.00 C < ATOM 499 CG GLU A 32 -0.068 -4.561 -8.584 1.00 0.00 C < ATOM 500 CD GLU A 32 -0.930 -5.423 -9.463 1.00 0.00 C < ATOM 501 OE1 GLU A 32 -2.130 -5.349 -9.343 1.00 0.00 O < ATOM 502 OE2 GLU A 32 -0.397 -6.070 -10.333 1.00 0.00 O < ATOM 503 H GLU A 32 0.202 -4.623 -5.643 1.00 0.00 H < ATOM 504 HA GLU A 32 0.693 -2.289 -7.262 1.00 0.00 H < ATOM 505 1HB GLU A 32 -1.612 -4.236 -7.129 1.00 0.00 H < ATOM 506 2HB GLU A 32 -1.464 -2.948 -8.348 1.00 0.00 H < ATOM 507 1HG GLU A 32 0.660 -4.031 -9.198 1.00 0.00 H < ATOM 508 2HG GLU A 32 0.455 -5.187 -7.863 1.00 0.00 H < ATOM 509 N ASN A 33 -1.809 -2.012 -5.127 1.00 0.00 N < ATOM 510 CA ASN A 33 -2.656 -1.009 -4.473 1.00 0.00 C < ATOM 511 C ASN A 33 -1.823 0.085 -3.810 1.00 0.00 C < ATOM 512 O ASN A 33 -2.169 1.267 -3.873 1.00 0.00 O < ATOM 513 CB ASN A 33 -3.582 -1.646 -3.453 1.00 0.00 C < ATOM 514 CG ASN A 33 -4.698 -2.447 -4.067 1.00 0.00 C < ATOM 515 OD1 ASN A 33 -5.035 -2.278 -5.244 1.00 0.00 O < ATOM 516 ND2 ASN A 33 -5.325 -3.257 -3.253 1.00 0.00 N < ATOM 517 H ASN A 33 -1.846 -2.970 -4.810 1.00 0.00 H < ATOM 518 HA ASN A 33 -3.279 -0.510 -5.217 1.00 0.00 H < ATOM 519 1HB ASN A 33 -3.180 -2.189 -2.597 1.00 0.00 H < ATOM 520 2HB ASN A 33 -3.979 -0.687 -3.122 1.00 0.00 H < ATOM 521 1HD2 ASN A 33 -6.078 -3.821 -3.593 1.00 0.00 H < ATOM 522 2HD2 ASN A 33 -5.051 -3.311 -2.294 1.00 0.00 H < ATOM 523 N LEU A 34 -0.738 -0.331 -3.156 1.00 0.00 N < ATOM 524 CA LEU A 34 0.159 0.589 -2.441 1.00 0.00 C < ATOM 525 C LEU A 34 0.782 1.612 -3.389 1.00 0.00 C < ATOM 526 O LEU A 34 0.766 2.809 -3.102 1.00 0.00 O < ATOM 527 CB LEU A 34 1.270 -0.196 -1.733 1.00 0.00 C < ATOM 528 CG LEU A 34 2.292 0.647 -0.960 1.00 0.00 C < ATOM 529 CD1 LEU A 34 1.587 1.401 0.160 1.00 0.00 C < ATOM 530 CD2 LEU A 34 3.384 -0.257 -0.408 1.00 0.00 C < ATOM 531 H LEU A 34 -0.530 -1.320 -3.157 1.00 0.00 H < ATOM 532 HA LEU A 34 -0.410 1.157 -1.708 1.00 0.00 H < ATOM 533 1HB LEU A 34 0.812 -0.888 -1.028 1.00 0.00 H < ATOM 534 2HB LEU A 34 1.815 -0.777 -2.477 1.00 0.00 H < ATOM 535 HG LEU A 34 2.736 1.385 -1.630 1.00 0.00 H < ATOM 536 1HD1 LEU A 34 2.313 2.000 0.709 1.00 0.00 H < ATOM 537 2HD1 LEU A 34 0.825 2.054 -0.265 1.00 0.00 H < ATOM 538 3HD1 LEU A 34 1.118 0.688 0.838 1.00 0.00 H < ATOM 539 1HD2 LEU A 34 4.111 0.343 0.141 1.00 0.00 H < ATOM 540 2HD2 LEU A 34 2.941 -0.994 0.263 1.00 0.00 H < ATOM 541 3HD2 LEU A 34 3.883 -0.769 -1.230 1.00 0.00 H < ATOM 542 N HIS A 35 1.343 1.140 -4.540 1.00 0.00 N < ATOM 543 CA HIS A 35 1.978 2.034 -5.504 1.00 0.00 C < ATOM 544 C HIS A 35 0.976 3.002 -6.085 1.00 0.00 C < ATOM 545 O HIS A 35 1.264 4.198 -6.220 1.00 0.00 O < ATOM 546 CB HIS A 35 2.648 1.238 -6.629 1.00 0.00 C < ATOM 547 CG HIS A 35 3.882 1.888 -7.173 1.00 0.00 C < ATOM 548 ND1 HIS A 35 4.897 1.174 -7.774 1.00 0.00 N < ATOM 549 CD2 HIS A 35 4.266 3.187 -7.207 1.00 0.00 C < ATOM 550 CE1 HIS A 35 5.850 2.005 -8.155 1.00 0.00 C < ATOM 551 NE2 HIS A 35 5.492 3.231 -7.823 1.00 0.00 N < ATOM 552 H HIS A 35 1.317 0.148 -4.732 1.00 0.00 H < ATOM 553 HA HIS A 35 2.742 2.632 -5.005 1.00 0.00 H < ATOM 554 1HB HIS A 35 2.949 0.255 -6.268 1.00 0.00 H < ATOM 555 2HB HIS A 35 1.961 1.122 -7.466 1.00 0.00 H < ATOM 556 HD1 HIS A 35 4.891 0.195 -7.974 1.00 0.00 H < ATOM 557 HD2 HIS A 35 3.796 4.107 -6.858 1.00 0.00 H < ATOM 558 HE1 HIS A 35 6.745 1.632 -8.654 1.00 0.00 H < ATOM 559 N GLN A 36 -0.185 2.494 -6.477 1.00 0.00 N < ATOM 560 CA GLN A 36 -1.246 3.329 -7.036 1.00 0.00 C < ATOM 561 C GLN A 36 -1.703 4.426 -6.064 1.00 0.00 C < ATOM 562 O GLN A 36 -1.888 5.578 -6.480 1.00 0.00 O < ATOM 563 CB GLN A 36 -2.442 2.459 -7.435 1.00 0.00 C < ATOM 564 CG GLN A 36 -2.187 1.564 -8.636 1.00 0.00 C < ATOM 565 CD GLN A 36 -3.359 0.647 -8.933 1.00 0.00 C < ATOM 566 OE1 GLN A 36 -4.516 0.996 -8.685 1.00 0.00 O < ATOM 567 NE2 GLN A 36 -3.065 -0.533 -9.465 1.00 0.00 N < ATOM 568 H GLN A 36 -0.338 1.499 -6.386 1.00 0.00 H < ATOM 569 HA GLN A 36 -0.873 3.852 -7.917 1.00 0.00 H < ATOM 570 1HB GLN A 36 -2.726 1.825 -6.596 1.00 0.00 H < ATOM 571 2HB GLN A 36 -3.295 3.098 -7.666 1.00 0.00 H < ATOM 572 1HG GLN A 36 -2.012 2.189 -9.511 1.00 0.00 H < ATOM 573 2HG GLN A 36 -1.312 0.946 -8.436 1.00 0.00 H < ATOM 574 1HE2 GLN A 36 -3.796 -1.181 -9.683 1.00 0.00 H < ATOM 575 2HE2 GLN A 36 -2.112 -0.776 -9.650 1.00 0.00 H < ATOM 576 N LEU A 37 -1.862 4.092 -4.777 1.00 0.00 N < ATOM 577 CA LEU A 37 -2.211 5.097 -3.766 1.00 0.00 C < ATOM 578 C LEU A 37 -1.091 6.113 -3.559 1.00 0.00 C < ATOM 579 O LEU A 37 -1.360 7.304 -3.390 1.00 0.00 O < ATOM 580 CB LEU A 37 -2.550 4.411 -2.436 1.00 0.00 C < ATOM 581 CG LEU A 37 -3.859 3.610 -2.430 1.00 0.00 C < ATOM 582 CD1 LEU A 37 -3.982 2.822 -1.133 1.00 0.00 C < ATOM 583 CD2 LEU A 37 -5.037 4.559 -2.598 1.00 0.00 C < ATOM 584 H LEU A 37 -1.738 3.131 -4.494 1.00 0.00 H < ATOM 585 HA LEU A 37 -3.076 5.667 -4.101 1.00 0.00 H < ATOM 586 1HB LEU A 37 -1.699 3.736 -2.363 1.00 0.00 H < ATOM 587 2HB LEU A 37 -2.530 5.113 -1.603 1.00 0.00 H < ATOM 588 HG LEU A 37 -3.838 2.949 -3.297 1.00 0.00 H < ATOM 589 1HD1 LEU A 37 -4.913 2.255 -1.139 1.00 0.00 H < ATOM 590 2HD1 LEU A 37 -3.140 2.133 -1.045 1.00 0.00 H < ATOM 591 3HD1 LEU A 37 -3.978 3.509 -0.288 1.00 0.00 H < ATOM 592 1HD2 LEU A 37 -5.966 3.989 -2.594 1.00 0.00 H < ATOM 593 2HD2 LEU A 37 -5.047 5.275 -1.776 1.00 0.00 H < ATOM 594 3HD2 LEU A 37 -4.944 5.093 -3.544 1.00 0.00 H < ATOM 595 N GLN A 38 0.159 5.653 -3.568 1.00 0.00 N < ATOM 596 CA GLN A 38 1.285 6.548 -3.319 1.00 0.00 C < ATOM 597 C GLN A 38 1.371 7.637 -4.387 1.00 0.00 C < ATOM 598 O GLN A 38 1.612 8.799 -4.055 1.00 0.00 O < ATOM 599 CB GLN A 38 2.596 5.759 -3.270 1.00 0.00 C < ATOM 600 CG GLN A 38 3.799 6.577 -2.831 1.00 0.00 C < ATOM 601 CD GLN A 38 3.690 7.041 -1.391 1.00 0.00 C < ATOM 602 OE1 GLN A 38 3.485 6.235 -0.479 1.00 0.00 O < ATOM 603 NE2 GLN A 38 3.825 8.345 -1.178 1.00 0.00 N < ATOM 604 H GLN A 38 0.338 4.675 -3.747 1.00 0.00 H < ATOM 605 HA GLN A 38 1.142 7.058 -2.368 1.00 0.00 H < ATOM 606 1HB GLN A 38 2.490 4.921 -2.582 1.00 0.00 H < ATOM 607 2HB GLN A 38 2.811 5.348 -4.256 1.00 0.00 H < ATOM 608 1HG GLN A 38 4.696 5.965 -2.926 1.00 0.00 H < ATOM 609 2HG GLN A 38 3.879 7.457 -3.469 1.00 0.00 H < ATOM 610 1HE2 GLN A 38 3.762 8.710 -0.249 1.00 0.00 H < ATOM 611 2HE2 GLN A 38 3.990 8.963 -1.947 1.00 0.00 H < ATOM 612 N HIS A 39 1.156 7.285 -5.681 1.00 0.00 N < ATOM 613 CA HIS A 39 1.179 8.312 -6.719 1.00 0.00 C < ATOM 614 C HIS A 39 0.035 9.282 -6.544 1.00 0.00 C < ATOM 615 O HIS A 39 0.217 10.491 -6.717 1.00 0.00 O < ATOM 616 CB HIS A 39 1.120 7.678 -8.114 1.00 0.00 C < ATOM 617 CG HIS A 39 2.427 7.114 -8.573 1.00 0.00 C < ATOM 618 ND1 HIS A 39 2.785 7.057 -9.904 1.00 0.00 N < ATOM 619 CD2 HIS A 39 3.461 6.580 -7.880 1.00 0.00 C < ATOM 620 CE1 HIS A 39 3.986 6.512 -10.010 1.00 0.00 C < ATOM 621 NE2 HIS A 39 4.416 6.215 -8.798 1.00 0.00 N < ATOM 622 H HIS A 39 0.981 6.325 -5.943 1.00 0.00 H < ATOM 623 HA HIS A 39 2.099 8.892 -6.644 1.00 0.00 H < ATOM 624 1HB HIS A 39 0.403 6.855 -8.122 1.00 0.00 H < ATOM 625 2HB HIS A 39 0.825 8.424 -8.851 1.00 0.00 H < ATOM 626 HD1 HIS A 39 2.272 7.439 -10.672 1.00 0.00 H < ATOM 627 HD2 HIS A 39 3.633 6.414 -6.817 1.00 0.00 H < ATOM 628 HE1 HIS A 39 4.450 6.380 -10.987 1.00 0.00 H < ATOM 629 N GLU A 40 -1.158 8.772 -6.251 1.00 0.00 N < ATOM 630 CA GLU A 40 -2.301 9.649 -5.998 1.00 0.00 C < ATOM 631 C GLU A 40 -2.013 10.635 -4.860 1.00 0.00 C < ATOM 632 O GLU A 40 -2.284 11.839 -4.989 1.00 0.00 O < ATOM 633 CB GLU A 40 -3.545 8.819 -5.673 1.00 0.00 C < ATOM 634 CG GLU A 40 -4.803 9.640 -5.430 1.00 0.00 C < ATOM 635 CD GLU A 40 -5.988 8.757 -5.157 1.00 0.00 C < ATOM 636 OE1 GLU A 40 -5.830 7.560 -5.178 1.00 0.00 O < ATOM 637 OE2 GLU A 40 -7.026 9.277 -4.818 1.00 0.00 O < ATOM 638 H GLU A 40 -1.285 7.771 -6.200 1.00 0.00 H < ATOM 639 HA GLU A 40 -2.506 10.253 -6.882 1.00 0.00 H < ATOM 640 1HB GLU A 40 -3.709 8.146 -6.515 1.00 0.00 H < ATOM 641 2HB GLU A 40 -3.315 8.235 -4.781 1.00 0.00 H < ATOM 642 1HG GLU A 40 -4.698 10.366 -4.624 1.00 0.00 H < ATOM 643 2HG GLU A 40 -4.951 10.165 -6.373 1.00 0.00 H < ATOM 644 N TYR A 41 -1.475 10.130 -3.750 1.00 0.00 N < ATOM 645 CA TYR A 41 -1.088 10.987 -2.620 1.00 0.00 C < ATOM 646 C TYR A 41 -0.049 12.029 -3.050 1.00 0.00 C < ATOM 647 O TYR A 41 -0.225 13.229 -2.798 1.00 0.00 O < ATOM 648 CB TYR A 41 -0.538 10.143 -1.467 1.00 0.00 C < ATOM 649 CG TYR A 41 -0.000 10.958 -0.312 1.00 0.00 C < ATOM 650 CD1 TYR A 41 -0.854 11.496 0.639 1.00 0.00 C < ATOM 651 CD2 TYR A 41 1.361 11.186 -0.177 1.00 0.00 C < ATOM 652 CE1 TYR A 41 -0.368 12.241 1.696 1.00 0.00 C < ATOM 653 CE2 TYR A 41 1.859 11.928 0.876 1.00 0.00 C < ATOM 654 CZ TYR A 41 0.991 12.456 1.811 1.00 0.00 C < ATOM 655 OH TYR A 41 1.481 13.195 2.862 1.00 0.00 O < ATOM 656 H TYR A 41 -1.330 9.133 -3.683 1.00 0.00 H < ATOM 657 HA TYR A 41 -1.956 11.540 -2.260 1.00 0.00 H < ATOM 658 1HB TYR A 41 -1.352 9.507 -1.116 1.00 0.00 H < ATOM 659 2HB TYR A 41 0.258 9.520 -1.876 1.00 0.00 H < ATOM 660 HD1 TYR A 41 -1.926 11.323 0.541 1.00 0.00 H < ATOM 661 HD2 TYR A 41 2.042 10.769 -0.919 1.00 0.00 H < ATOM 662 HE1 TYR A 41 -1.050 12.658 2.435 1.00 0.00 H < ATOM 663 HE2 TYR A 41 2.932 12.096 0.965 1.00 0.00 H < ATOM 664 HH TYR A 41 2.438 13.279 2.847 1.00 0.00 H < ATOM 665 N ASP A 42 1.022 11.575 -3.702 1.00 0.00 N < ATOM 666 CA ASP A 42 2.100 12.469 -4.141 1.00 0.00 C < ATOM 667 C ASP A 42 1.573 13.600 -5.030 1.00 0.00 C < ATOM 668 O ASP A 42 1.945 14.763 -4.842 1.00 0.00 O < ATOM 669 CB ASP A 42 3.173 11.680 -4.896 1.00 0.00 C < ATOM 670 CG ASP A 42 3.968 10.746 -3.993 1.00 0.00 C < ATOM 671 OD1 ASP A 42 3.860 10.874 -2.797 1.00 0.00 O < ATOM 672 OD2 ASP A 42 4.676 9.915 -4.509 1.00 0.00 O < ATOM 673 H ASP A 42 1.092 10.586 -3.898 1.00 0.00 H < ATOM 674 HA ASP A 42 2.556 12.950 -3.275 1.00 0.00 H < ATOM 675 1HB ASP A 42 2.703 11.088 -5.682 1.00 0.00 H < ATOM 676 2HB ASP A 42 3.864 12.373 -5.377 1.00 0.00 H < ATOM 677 N GLN A 43 0.711 13.263 -5.989 1.00 0.00 N < ATOM 678 CA GLN A 43 0.140 14.270 -6.891 1.00 0.00 C < ATOM 679 C GLN A 43 -0.706 15.302 -6.133 1.00 0.00 C < ATOM 680 O GLN A 43 -0.673 16.494 -6.462 1.00 0.00 O < ATOM 681 CB GLN A 43 -0.716 13.594 -7.965 1.00 0.00 C < ATOM 682 CG GLN A 43 0.083 12.844 -9.017 1.00 0.00 C < ATOM 683 CD GLN A 43 -0.805 12.073 -9.976 1.00 0.00 C < ATOM 684 OE1 GLN A 43 -2.026 12.016 -9.806 1.00 0.00 O < ATOM 685 NE2 GLN A 43 -0.194 11.469 -10.989 1.00 0.00 N < ATOM 686 H GLN A 43 0.444 12.296 -6.099 1.00 0.00 H < ATOM 687 HA GLN A 43 0.943 14.830 -7.369 1.00 0.00 H < ATOM 688 1HB GLN A 43 -1.383 12.904 -7.448 1.00 0.00 H < ATOM 689 2HB GLN A 43 -1.304 14.379 -8.440 1.00 0.00 H < ATOM 690 1HG GLN A 43 0.877 13.311 -9.599 1.00 0.00 H < ATOM 691 2HG GLN A 43 0.519 12.138 -8.309 1.00 0.00 H < ATOM 692 1HE2 GLN A 43 -0.727 10.944 -11.656 1.00 0.00 H < ATOM 693 2HE2 GLN A 43 0.799 11.537 -11.089 1.00 0.00 H < ATOM 694 N GLN A 44 -1.441 14.855 -5.116 1.00 0.00 N < ATOM 695 CA GLN A 44 -2.225 15.761 -4.274 1.00 0.00 C < ATOM 696 C GLN A 44 -1.325 16.703 -3.459 1.00 0.00 C < ATOM 697 O GLN A 44 -1.692 17.850 -3.208 1.00 0.00 O < ATOM 698 CB GLN A 44 -3.123 14.960 -3.327 1.00 0.00 C < ATOM 699 CG GLN A 44 -4.099 15.808 -2.528 1.00 0.00 C < ATOM 700 CD GLN A 44 -5.101 16.525 -3.412 1.00 0.00 C < ATOM 701 OE1 GLN A 44 -5.683 15.931 -4.324 1.00 0.00 O < ATOM 702 NE2 GLN A 44 -5.306 17.811 -3.150 1.00 0.00 N < ATOM 703 H GLN A 44 -1.456 13.864 -4.921 1.00 0.00 H < ATOM 704 HA GLN A 44 -2.842 16.401 -4.904 1.00 0.00 H < ATOM 705 1HB GLN A 44 -3.672 14.247 -3.944 1.00 0.00 H < ATOM 706 2HB GLN A 44 -2.463 14.420 -2.649 1.00 0.00 H < ATOM 707 1HG GLN A 44 -4.631 15.431 -1.656 1.00 0.00 H < ATOM 708 2HG GLN A 44 -3.344 16.528 -2.207 1.00 0.00 H < ATOM 709 1HE2 GLN A 44 -5.956 18.337 -3.701 1.00 0.00 H < ATOM 710 2HE2 GLN A 44 -4.812 18.255 -2.403 1.00 0.00 H < ATOM 711 N GLN A 45 -0.155 16.211 -3.056 1.00 0.00 N < ATOM 712 CA GLN A 45 0.788 16.983 -2.238 1.00 0.00 C < ATOM 713 C GLN A 45 1.628 17.936 -3.092 1.00 0.00 C < ATOM 714 O GLN A 45 2.065 18.981 -2.612 1.00 0.00 O < ATOM 715 CB GLN A 45 1.713 16.044 -1.459 1.00 0.00 C < ATOM 716 CG GLN A 45 1.004 15.202 -0.411 1.00 0.00 C < ATOM 717 CD GLN A 45 0.287 16.049 0.623 1.00 0.00 C < ATOM 718 OE1 GLN A 45 0.872 16.962 1.212 1.00 0.00 O < ATOM 719 NE2 GLN A 45 -0.986 15.748 0.853 1.00 0.00 N < ATOM 720 H GLN A 45 0.086 15.268 -3.329 1.00 0.00 H < ATOM 721 HA GLN A 45 0.236 17.608 -1.537 1.00 0.00 H < ATOM 722 1HB GLN A 45 2.192 15.394 -2.193 1.00 0.00 H < ATOM 723 2HB GLN A 45 2.466 16.669 -0.981 1.00 0.00 H < ATOM 724 1HG GLN A 45 0.354 14.365 -0.667 1.00 0.00 H < ATOM 725 2HG GLN A 45 1.926 14.822 0.032 1.00 0.00 H < ATOM 726 1HE2 GLN A 45 -1.511 16.273 1.526 1.00 0.00 H < ATOM 727 2HE2 GLN A 45 -1.422 14.998 0.354 1.00 0.00 H < ATOM 728 N THR A 46 1.854 17.566 -4.353 1.00 0.00 N < ATOM 729 CA THR A 46 2.618 18.391 -5.294 1.00 0.00 C < ATOM 730 C THR A 46 1.731 19.424 -5.980 1.00 0.00 C < ATOM 731 O THR A 46 0.850 20.014 -5.357 1.00 0.00 O < ATOM 732 OXT THR A 46 1.887 19.673 -7.143 1.00 0.00 O < ATOM 733 CB THR A 46 3.305 17.531 -6.372 1.00 0.00 C < ATOM 734 OG1 THR A 46 4.218 16.619 -5.748 1.00 0.00 O < ATOM 735 CG2 THR A 46 4.064 18.409 -7.353 1.00 0.00 C < ATOM 736 H THR A 46 1.479 16.681 -4.666 1.00 0.00 H < ATOM 737 HA THR A 46 3.383 18.951 -4.757 1.00 0.00 H < ATOM 738 HB THR A 46 2.546 16.961 -6.908 1.00 0.00 H < ATOM 739 HG1 THR A 46 4.190 16.739 -4.796 1.00 0.00 H < ATOM 740 1HG2 THR A 46 4.542 17.783 -8.106 1.00 0.00 H < ATOM 741 2HG2 THR A 46 3.370 19.096 -7.837 1.00 0.00 H < ATOM 742 3HG2 THR A 46 4.823 18.977 -6.819 1.00 0.00 H < HETATM 743 ZN ZN A 47 7.922 -1.921 5.785 1.00 0.00 ZN --- > ATOM 1 N GLY A 1 -4.518 15.424 0.736 1.00 0.00 N > ATOM 2 CA GLY A 1 -3.299 14.844 1.363 1.00 0.00 C > ATOM 3 C GLY A 1 -3.570 13.710 2.333 1.00 0.00 C > ATOM 4 O GLY A 1 -3.317 12.551 2.017 1.00 0.00 O > ATOM 5 1H GLY A 1 -4.734 16.391 0.866 1.00 0.00 H > ATOM 6 2H GLY A 1 -4.626 15.404 -0.258 1.00 0.00 H > ATOM 7 3H GLY A 1 -5.420 15.061 0.967 1.00 0.00 H > ATOM 8 1HA GLY A 1 -2.648 14.453 0.580 1.00 0.00 H > ATOM 9 2HA GLY A 1 -2.776 15.624 1.913 1.00 0.00 H > ATOM 10 N SER A 2 -4.085 14.049 3.513 1.00 0.00 N > ATOM 11 CA SER A 2 -4.342 13.070 4.576 1.00 0.00 C > ATOM 12 C SER A 2 -4.925 11.731 4.106 1.00 0.00 C > ATOM 13 O SER A 2 -4.346 10.688 4.396 1.00 0.00 O > ATOM 14 CB SER A 2 -5.270 13.690 5.603 1.00 0.00 C > ATOM 15 OG SER A 2 -4.625 14.666 6.374 1.00 0.00 O > ATOM 16 H SER A 2 -4.305 15.021 3.676 1.00 0.00 H > ATOM 17 HA SER A 2 -3.459 12.840 5.175 1.00 0.00 H > ATOM 18 1HB SER A 2 -6.109 14.147 5.081 1.00 0.00 H > ATOM 19 2HB SER A 2 -5.638 12.903 6.261 1.00 0.00 H > ATOM 20 HG SER A 2 -3.705 14.728 6.106 1.00 0.00 H > ATOM 21 N PRO A 3 -6.073 11.747 3.405 1.00 0.00 N > ATOM 22 CA PRO A 3 -6.693 10.468 3.029 1.00 0.00 C > ATOM 23 C PRO A 3 -5.801 9.593 2.130 1.00 0.00 C > ATOM 24 O PRO A 3 -5.980 8.367 2.094 1.00 0.00 O > ATOM 25 CB PRO A 3 -7.977 10.893 2.309 1.00 0.00 C > ATOM 26 CG PRO A 3 -7.730 12.309 1.915 1.00 0.00 C > ATOM 27 CD PRO A 3 -6.907 12.897 3.029 1.00 0.00 C > ATOM 28 HA PRO A 3 -6.895 9.822 3.896 1.00 0.00 H > ATOM 29 1HB PRO A 3 -8.172 10.263 1.429 1.00 0.00 H > ATOM 30 2HB PRO A 3 -8.854 10.810 2.968 1.00 0.00 H > ATOM 31 1HG PRO A 3 -7.196 12.367 0.955 1.00 0.00 H > ATOM 32 2HG PRO A 3 -8.675 12.857 1.790 1.00 0.00 H > ATOM 33 1HD PRO A 3 -6.303 13.753 2.694 1.00 0.00 H > ATOM 34 2HD PRO A 3 -7.530 13.250 3.864 1.00 0.00 H > ATOM 35 N LEU A 4 -4.860 10.211 1.419 1.00 0.00 N > ATOM 36 CA LEU A 4 -3.939 9.477 0.537 1.00 0.00 C > ATOM 37 C LEU A 4 -2.819 8.814 1.334 1.00 0.00 C > ATOM 38 O LEU A 4 -2.460 7.663 1.080 1.00 0.00 O > ATOM 39 CB LEU A 4 -3.350 10.417 -0.521 1.00 0.00 C > ATOM 40 CG LEU A 4 -4.364 11.002 -1.512 1.00 0.00 C > ATOM 41 CD1 LEU A 4 -3.681 12.015 -2.422 1.00 0.00 C > ATOM 42 CD2 LEU A 4 -4.985 9.878 -2.328 1.00 0.00 C > ATOM 43 H LEU A 4 -4.778 11.215 1.488 1.00 0.00 H > ATOM 44 HA LEU A 4 -4.477 8.674 0.034 1.00 0.00 H > ATOM 45 1HB LEU A 4 -2.969 11.202 0.130 1.00 0.00 H > ATOM 46 2HB LEU A 4 -2.519 9.954 -1.056 1.00 0.00 H > ATOM 47 HG LEU A 4 -5.157 11.467 -0.927 1.00 0.00 H > ATOM 48 1HD1 LEU A 4 -4.409 12.425 -3.123 1.00 0.00 H > ATOM 49 2HD1 LEU A 4 -3.264 12.822 -1.820 1.00 0.00 H > ATOM 50 3HD1 LEU A 4 -2.882 11.525 -2.977 1.00 0.00 H > ATOM 51 1HD2 LEU A 4 -5.706 10.296 -3.032 1.00 0.00 H > ATOM 52 2HD2 LEU A 4 -4.205 9.351 -2.878 1.00 0.00 H > ATOM 53 3HD2 LEU A 4 -5.492 9.181 -1.662 1.00 0.00 H > ATOM 54 N LEU A 5 -2.255 9.543 2.293 1.00 0.00 N > ATOM 55 CA LEU A 5 -1.233 8.979 3.169 1.00 0.00 C > ATOM 56 C LEU A 5 -1.805 7.859 4.050 1.00 0.00 C > ATOM 57 O LEU A 5 -1.129 6.867 4.313 1.00 0.00 O > ATOM 58 CB LEU A 5 -0.620 10.084 4.038 1.00 0.00 C > ATOM 59 CG LEU A 5 0.624 9.673 4.836 1.00 0.00 C > ATOM 60 CD1 LEU A 5 1.720 9.205 3.888 1.00 0.00 C > ATOM 61 CD2 LEU A 5 1.102 10.848 5.676 1.00 0.00 C > ATOM 62 H LEU A 5 -2.536 10.505 2.420 1.00 0.00 H > ATOM 63 HA LEU A 5 -0.447 8.523 2.567 1.00 0.00 H > ATOM 64 1HB LEU A 5 -0.345 10.791 3.257 1.00 0.00 H > ATOM 65 2HB LEU A 5 -1.360 10.538 4.696 1.00 0.00 H > ATOM 66 HG LEU A 5 0.324 8.876 5.517 1.00 0.00 H > ATOM 67 1HD1 LEU A 5 2.601 8.914 4.462 1.00 0.00 H > ATOM 68 2HD1 LEU A 5 1.365 8.349 3.314 1.00 0.00 H > ATOM 69 3HD1 LEU A 5 1.983 10.014 3.208 1.00 0.00 H > ATOM 70 1HD2 LEU A 5 1.986 10.552 6.242 1.00 0.00 H > ATOM 71 2HD2 LEU A 5 1.351 11.684 5.023 1.00 0.00 H > ATOM 72 3HD2 LEU A 5 0.313 11.147 6.365 1.00 0.00 H > ATOM 73 N GLN A 6 -3.044 8.023 4.506 1.00 0.00 N > ATOM 74 CA GLN A 6 -3.712 7.003 5.319 1.00 0.00 C > ATOM 75 C GLN A 6 -3.897 5.706 4.524 1.00 0.00 C > ATOM 76 O GLN A 6 -3.688 4.604 5.051 1.00 0.00 O > ATOM 77 CB GLN A 6 -5.072 7.510 5.808 1.00 0.00 C > ATOM 78 CG GLN A 6 -4.986 8.576 6.886 1.00 0.00 C > ATOM 79 CD GLN A 6 -6.327 9.231 7.160 1.00 0.00 C > ATOM 80 OE1 GLN A 6 -7.299 9.018 6.428 1.00 0.00 O > ATOM 81 NE2 GLN A 6 -6.388 10.036 8.215 1.00 0.00 N > ATOM 82 H GLN A 6 -3.536 8.876 4.284 1.00 0.00 H > ATOM 83 HA GLN A 6 -3.090 6.757 6.179 1.00 0.00 H > ATOM 84 1HB GLN A 6 -5.592 7.906 4.936 1.00 0.00 H > ATOM 85 2HB GLN A 6 -5.611 6.643 6.190 1.00 0.00 H > ATOM 86 1HG GLN A 6 -4.493 8.410 7.843 1.00 0.00 H > ATOM 87 2HG GLN A 6 -4.386 9.260 6.284 1.00 0.00 H > ATOM 88 1HE2 GLN A 6 -7.247 10.495 8.445 1.00 0.00 H > ATOM 89 2HE2 GLN A 6 -5.576 10.182 8.781 1.00 0.00 H > ATOM 90 N GLN A 7 -4.288 5.843 3.258 1.00 0.00 N > ATOM 91 CA GLN A 7 -4.448 4.695 2.355 1.00 0.00 C > ATOM 92 C GLN A 7 -3.112 4.007 2.109 1.00 0.00 C > ATOM 93 O GLN A 7 -3.041 2.775 2.056 1.00 0.00 O > ATOM 94 CB GLN A 7 -5.052 5.137 1.020 1.00 0.00 C > ATOM 95 CG GLN A 7 -5.531 3.991 0.145 1.00 0.00 C > ATOM 96 CD GLN A 7 -6.737 3.280 0.728 1.00 0.00 C > ATOM 97 OE1 GLN A 7 -7.757 3.906 1.030 1.00 0.00 O > ATOM 98 NE2 GLN A 7 -6.626 1.968 0.894 1.00 0.00 N > ATOM 99 H GLN A 7 -4.480 6.772 2.912 1.00 0.00 H > ATOM 100 HA GLN A 7 -5.102 3.956 2.816 1.00 0.00 H > ATOM 101 1HB GLN A 7 -5.888 5.796 1.255 1.00 0.00 H > ATOM 102 2HB GLN A 7 -4.282 5.702 0.496 1.00 0.00 H > ATOM 103 1HG GLN A 7 -5.691 4.094 -0.928 1.00 0.00 H > ATOM 104 2HG GLN A 7 -4.648 3.373 0.321 1.00 0.00 H > ATOM 105 1HE2 GLN A 7 -7.389 1.445 1.275 1.00 0.00 H > ATOM 106 2HE2 GLN A 7 -5.780 1.500 0.637 1.00 0.00 H > ATOM 107 N ILE A 8 -2.057 4.801 1.956 1.00 0.00 N > ATOM 108 CA ILE A 8 -0.688 4.287 1.857 1.00 0.00 C > ATOM 109 C ILE A 8 -0.279 3.517 3.124 1.00 0.00 C > ATOM 110 O ILE A 8 0.289 2.421 3.024 1.00 0.00 O > ATOM 111 CB ILE A 8 0.320 5.424 1.610 1.00 0.00 C > ATOM 112 CG1 ILE A 8 0.150 5.990 0.198 1.00 0.00 C > ATOM 113 CG2 ILE A 8 1.743 4.928 1.820 1.00 0.00 C > ATOM 114 CD1 ILE A 8 0.924 7.267 -0.044 1.00 0.00 C > ATOM 115 H ILE A 8 -2.212 5.797 1.905 1.00 0.00 H > ATOM 116 HA ILE A 8 -0.611 3.551 1.056 1.00 0.00 H > ATOM 117 HB ILE A 8 0.113 6.238 2.302 1.00 0.00 H > ATOM 118 1HG1 ILE A 8 0.485 5.224 -0.502 1.00 0.00 H > ATOM 119 2HG1 ILE A 8 -0.913 6.177 0.050 1.00 0.00 H > ATOM 120 1HG2 ILE A 8 2.443 5.743 1.641 1.00 0.00 H > ATOM 121 2HG2 ILE A 8 1.856 4.571 2.843 1.00 0.00 H > ATOM 122 3HG2 ILE A 8 1.951 4.112 1.126 1.00 0.00 H > ATOM 123 1HD1 ILE A 8 0.754 7.608 -1.066 1.00 0.00 H > ATOM 124 2HD1 ILE A 8 0.589 8.035 0.654 1.00 0.00 H > ATOM 125 3HD1 ILE A 8 1.987 7.083 0.102 1.00 0.00 H > ATOM 126 N HIS A 9 -0.571 4.074 4.302 1.00 0.00 N > ATOM 127 CA HIS A 9 -0.294 3.380 5.571 1.00 0.00 C > ATOM 128 C HIS A 9 -1.026 2.036 5.622 1.00 0.00 C > ATOM 129 O HIS A 9 -0.442 0.999 5.950 1.00 0.00 O > ATOM 130 CB HIS A 9 -0.708 4.241 6.768 1.00 0.00 C > ATOM 131 CG HIS A 9 -0.422 3.606 8.094 1.00 0.00 C > ATOM 132 ND1 HIS A 9 0.845 3.562 8.638 1.00 0.00 N > ATOM 133 CD2 HIS A 9 -1.236 2.991 8.982 1.00 0.00 C > ATOM 134 CE1 HIS A 9 0.796 2.945 9.807 1.00 0.00 C > ATOM 135 NE2 HIS A 9 -0.455 2.589 10.038 1.00 0.00 N > ATOM 136 H HIS A 9 -0.991 4.991 4.324 1.00 0.00 H > ATOM 137 HA HIS A 9 0.772 3.163 5.645 1.00 0.00 H > ATOM 138 1HB HIS A 9 -0.186 5.197 6.727 1.00 0.00 H > ATOM 139 2HB HIS A 9 -1.777 4.449 6.714 1.00 0.00 H > ATOM 140 HD2 HIS A 9 -2.311 2.841 8.880 1.00 0.00 H > ATOM 141 HE1 HIS A 9 1.643 2.763 10.467 1.00 0.00 H > ATOM 142 HE2 HIS A 9 -0.788 2.101 10.857 1.00 0.00 H > ATOM 143 N ASN A 10 -2.321 2.075 5.329 1.00 0.00 N > ATOM 144 CA ASN A 10 -3.162 0.887 5.418 1.00 0.00 C > ATOM 145 C ASN A 10 -2.713 -0.229 4.479 1.00 0.00 C > ATOM 146 O ASN A 10 -2.566 -1.368 4.922 1.00 0.00 O > ATOM 147 CB ASN A 10 -4.616 1.232 5.151 1.00 0.00 C > ATOM 148 CG ASN A 10 -5.281 1.969 6.281 1.00 0.00 C > ATOM 149 OD1 ASN A 10 -4.798 1.968 7.419 1.00 0.00 O > ATOM 150 ND2 ASN A 10 -6.427 2.530 5.991 1.00 0.00 N > ATOM 151 H ASN A 10 -2.732 2.949 5.036 1.00 0.00 H > ATOM 152 HA ASN A 10 -3.099 0.464 6.422 1.00 0.00 H > ATOM 153 1HB ASN A 10 -4.918 1.681 4.204 1.00 0.00 H > ATOM 154 2HB ASN A 10 -4.933 0.189 5.176 1.00 0.00 H > ATOM 155 1HD2 ASN A 10 -6.927 3.037 6.693 1.00 0.00 H > ATOM 156 2HD2 ASN A 10 -6.803 2.451 5.068 1.00 0.00 H > ATOM 157 N ILE A 11 -2.485 0.075 3.200 1.00 0.00 N > ATOM 158 CA ILE A 11 -2.080 -0.975 2.251 1.00 0.00 C > ATOM 159 C ILE A 11 -0.732 -1.564 2.666 1.00 0.00 C > ATOM 160 O ILE A 11 -0.538 -2.783 2.637 1.00 0.00 O > ATOM 161 CB ILE A 11 -1.979 -0.443 0.810 1.00 0.00 C > ATOM 162 CG1 ILE A 11 -3.356 -0.002 0.306 1.00 0.00 C > ATOM 163 CG2 ILE A 11 -1.387 -1.500 -0.108 1.00 0.00 C > ATOM 164 CD1 ILE A 11 -4.382 -1.112 0.283 1.00 0.00 C > ATOM 165 H ILE A 11 -2.586 1.023 2.870 1.00 0.00 H > ATOM 166 HA ILE A 11 -2.783 -1.808 2.276 1.00 0.00 H > ATOM 167 HB ILE A 11 -1.344 0.442 0.802 1.00 0.00 H > ATOM 168 1HG1 ILE A 11 -3.701 0.798 0.960 1.00 0.00 H > ATOM 169 2HG1 ILE A 11 -3.223 0.388 -0.704 1.00 0.00 H > ATOM 170 1HG2 ILE A 11 -1.323 -1.107 -1.123 1.00 0.00 H > ATOM 171 2HG2 ILE A 11 -0.390 -1.767 0.240 1.00 0.00 H > ATOM 172 3HG2 ILE A 11 -2.024 -2.386 -0.102 1.00 0.00 H > ATOM 173 1HD1 ILE A 11 -5.331 -0.723 -0.086 1.00 0.00 H > ATOM 174 2HD1 ILE A 11 -4.039 -1.913 -0.374 1.00 0.00 H > ATOM 175 3HD1 ILE A 11 -4.519 -1.503 1.290 1.00 0.00 H > ATOM 176 N HIS A 12 0.224 -0.699 3.083 1.00 0.00 N > ATOM 177 CA HIS A 12 1.517 -1.179 3.560 1.00 0.00 C > ATOM 178 C HIS A 12 1.343 -2.189 4.670 1.00 0.00 C > ATOM 179 O HIS A 12 1.986 -3.254 4.656 1.00 0.00 O > ATOM 180 CB HIS A 12 2.390 -0.019 4.049 1.00 0.00 C > ATOM 181 CG HIS A 12 3.596 -0.458 4.817 1.00 0.00 C > ATOM 182 ND1 HIS A 12 3.856 -0.032 6.104 1.00 0.00 N > ATOM 183 CD2 HIS A 12 4.614 -1.284 4.483 1.00 0.00 C > ATOM 184 CE1 HIS A 12 4.982 -0.576 6.527 1.00 0.00 C > ATOM 185 NE2 HIS A 12 5.462 -1.342 5.561 1.00 0.00 N > ATOM 186 H HIS A 12 0.044 0.295 3.065 1.00 0.00 H > ATOM 187 HA HIS A 12 2.042 -1.690 2.752 1.00 0.00 H > ATOM 188 1HB HIS A 12 2.755 0.560 3.199 1.00 0.00 H > ATOM 189 2HB HIS A 12 1.816 0.629 4.709 1.00 0.00 H > ATOM 190 HD1 HIS A 12 3.256 0.534 6.670 1.00 0.00 H > ATOM 191 HD2 HIS A 12 4.841 -1.854 3.581 1.00 0.00 H > ATOM 192 HE1 HIS A 12 5.362 -0.361 7.525 1.00 0.00 H > ATOM 193 N SER A 13 0.521 -1.873 5.668 1.00 0.00 N > ATOM 194 CA SER A 13 0.231 -2.812 6.762 1.00 0.00 C > ATOM 195 C SER A 13 -0.423 -4.100 6.261 1.00 0.00 C > ATOM 196 O SER A 13 -0.079 -5.188 6.723 1.00 0.00 O > ATOM 197 CB SER A 13 -0.673 -2.151 7.784 1.00 0.00 C > ATOM 198 OG SER A 13 -0.024 -1.076 8.407 1.00 0.00 O > ATOM 199 H SER A 13 0.085 -0.963 5.672 1.00 0.00 H > ATOM 200 HA SER A 13 1.108 -3.064 7.359 1.00 0.00 H > ATOM 201 1HB SER A 13 -1.580 -1.797 7.294 1.00 0.00 H > ATOM 202 2HB SER A 13 -0.970 -2.883 8.534 1.00 0.00 H > ATOM 203 HG SER A 13 -0.050 -0.351 7.777 1.00 0.00 H > ATOM 204 N PHE A 14 -1.358 -3.987 5.319 1.00 0.00 N > ATOM 205 CA PHE A 14 -2.033 -5.175 4.770 1.00 0.00 C > ATOM 206 C PHE A 14 -1.047 -6.132 4.081 1.00 0.00 C > ATOM 207 O PHE A 14 -1.217 -7.350 4.146 1.00 0.00 O > ATOM 208 CB PHE A 14 -3.126 -4.753 3.785 1.00 0.00 C > ATOM 209 CG PHE A 14 -4.237 -3.964 4.414 1.00 0.00 C > ATOM 210 CD1 PHE A 14 -4.412 -3.959 5.790 1.00 0.00 C > ATOM 211 CD2 PHE A 14 -5.112 -3.225 3.631 1.00 0.00 C > ATOM 212 CE1 PHE A 14 -5.435 -3.233 6.370 1.00 0.00 C > ATOM 213 CE2 PHE A 14 -6.134 -2.497 4.209 1.00 0.00 C > ATOM 214 CZ PHE A 14 -6.297 -2.502 5.579 1.00 0.00 C > ATOM 215 H PHE A 14 -1.610 -3.074 4.972 1.00 0.00 H > ATOM 216 HA PHE A 14 -2.492 -5.747 5.578 1.00 0.00 H > ATOM 217 1HB PHE A 14 -2.702 -4.127 3.001 1.00 0.00 H > ATOM 218 2HB PHE A 14 -3.585 -5.634 3.335 1.00 0.00 H > ATOM 219 HD1 PHE A 14 -3.730 -4.537 6.414 1.00 0.00 H > ATOM 220 HD2 PHE A 14 -4.985 -3.221 2.548 1.00 0.00 H > ATOM 221 HE1 PHE A 14 -5.560 -3.239 7.452 1.00 0.00 H > ATOM 222 HE2 PHE A 14 -6.814 -1.919 3.582 1.00 0.00 H > ATOM 223 HZ PHE A 14 -7.104 -1.931 6.035 1.00 0.00 H > ATOM 224 N ILE A 15 -0.035 -5.593 3.404 1.00 0.00 N > ATOM 225 CA ILE A 15 0.961 -6.430 2.722 1.00 0.00 C > ATOM 226 C ILE A 15 1.693 -7.338 3.730 1.00 0.00 C > ATOM 227 O ILE A 15 1.823 -8.545 3.503 1.00 0.00 O > ATOM 228 CB ILE A 15 1.984 -5.562 1.967 1.00 0.00 C > ATOM 229 CG1 ILE A 15 1.309 -4.836 0.800 1.00 0.00 C > ATOM 230 CG2 ILE A 15 3.141 -6.415 1.470 1.00 0.00 C > ATOM 231 CD1 ILE A 15 2.147 -3.728 0.203 1.00 0.00 C > ATOM 232 H ILE A 15 0.052 -4.588 3.357 1.00 0.00 H > ATOM 233 HA ILE A 15 0.476 -7.115 2.028 1.00 0.00 H > ATOM 234 HB ILE A 15 2.372 -4.793 2.634 1.00 0.00 H > ATOM 235 1HG1 ILE A 15 1.079 -5.552 0.011 1.00 0.00 H > ATOM 236 2HG1 ILE A 15 0.366 -4.406 1.135 1.00 0.00 H > ATOM 237 1HG2 ILE A 15 3.854 -5.786 0.938 1.00 0.00 H > ATOM 238 2HG2 ILE A 15 3.635 -6.886 2.319 1.00 0.00 H > ATOM 239 3HG2 ILE A 15 2.763 -7.185 0.797 1.00 0.00 H > ATOM 240 1HD1 ILE A 15 1.603 -3.262 -0.618 1.00 0.00 H > ATOM 241 2HD1 ILE A 15 2.361 -2.981 0.969 1.00 0.00 H > ATOM 242 3HD1 ILE A 15 3.083 -4.142 -0.172 1.00 0.00 H > ATOM 243 N HIS A 16 2.173 -6.763 4.867 1.00 0.00 N > ATOM 244 CA HIS A 16 2.879 -7.557 5.868 1.00 0.00 C > ATOM 245 C HIS A 16 1.975 -8.616 6.452 1.00 0.00 C > ATOM 246 O HIS A 16 2.422 -9.731 6.743 1.00 0.00 O > ATOM 247 CB HIS A 16 3.428 -6.663 6.984 1.00 0.00 C > ATOM 248 CG HIS A 16 4.692 -5.949 6.616 1.00 0.00 C > ATOM 249 ND1 HIS A 16 5.869 -6.612 6.345 1.00 0.00 N > ATOM 250 CD2 HIS A 16 4.962 -4.629 6.479 1.00 0.00 C > ATOM 251 CE1 HIS A 16 6.809 -5.732 6.052 1.00 0.00 C > ATOM 252 NE2 HIS A 16 6.285 -4.521 6.126 1.00 0.00 N > ATOM 253 H HIS A 16 2.043 -5.775 5.026 1.00 0.00 H > ATOM 254 HA HIS A 16 3.716 -8.079 5.402 1.00 0.00 H > ATOM 255 1HB HIS A 16 2.698 -5.893 7.242 1.00 0.00 H > ATOM 256 2HB HIS A 16 3.651 -7.260 7.867 1.00 0.00 H > ATOM 257 HD1 HIS A 16 5.989 -7.604 6.287 1.00 0.00 H > ATOM 258 HD2 HIS A 16 4.353 -3.732 6.591 1.00 0.00 H > ATOM 259 HE1 HIS A 16 7.818 -6.059 5.805 1.00 0.00 H > ATOM 260 N GLN A 17 0.717 -8.265 6.674 1.00 0.00 N > ATOM 261 CA GLN A 17 -0.261 -9.234 7.155 1.00 0.00 C > ATOM 262 C GLN A 17 -0.491 -10.365 6.147 1.00 0.00 C > ATOM 263 O GLN A 17 -0.558 -11.545 6.535 1.00 0.00 O > ATOM 264 CB GLN A 17 -1.590 -8.535 7.458 1.00 0.00 C > ATOM 265 CG GLN A 17 -1.548 -7.614 8.664 1.00 0.00 C > ATOM 266 CD GLN A 17 -2.831 -6.821 8.832 1.00 0.00 C > ATOM 267 OE1 GLN A 17 -3.699 -6.824 7.955 1.00 0.00 O > ATOM 268 NE2 GLN A 17 -2.957 -6.133 9.961 1.00 0.00 N > ATOM 269 H GLN A 17 0.426 -7.312 6.508 1.00 0.00 H > ATOM 270 HA GLN A 17 0.112 -9.711 8.061 1.00 0.00 H > ATOM 271 1HB GLN A 17 -1.856 -7.966 6.568 1.00 0.00 H > ATOM 272 2HB GLN A 17 -2.328 -9.321 7.621 1.00 0.00 H > ATOM 273 1HG GLN A 17 -1.229 -7.949 9.651 1.00 0.00 H > ATOM 274 2HG GLN A 17 -0.787 -6.956 8.243 1.00 0.00 H > ATOM 275 1HE2 GLN A 17 -3.781 -5.591 10.127 1.00 0.00 H > ATOM 276 2HE2 GLN A 17 -2.228 -6.156 10.645 1.00 0.00 H > ATOM 277 N ALA A 18 -0.608 -10.015 4.864 1.00 0.00 N > ATOM 278 CA ALA A 18 -0.730 -11.008 3.788 1.00 0.00 C > ATOM 279 C ALA A 18 0.513 -11.899 3.689 1.00 0.00 C > ATOM 280 O ALA A 18 0.409 -13.110 3.454 1.00 0.00 O > ATOM 281 CB ALA A 18 -0.990 -10.315 2.458 1.00 0.00 C > ATOM 282 H ALA A 18 -0.613 -9.033 4.629 1.00 0.00 H > ATOM 283 HA ALA A 18 -1.572 -11.663 4.010 1.00 0.00 H > ATOM 284 1HB ALA A 18 -1.079 -11.063 1.670 1.00 0.00 H > ATOM 285 2HB ALA A 18 -1.916 -9.744 2.520 1.00 0.00 H > ATOM 286 3HB ALA A 18 -0.164 -9.645 2.230 1.00 0.00 H > ATOM 287 N GLN A 19 1.692 -11.308 3.867 1.00 0.00 N > ATOM 288 CA GLN A 19 2.935 -12.081 3.846 1.00 0.00 C > ATOM 289 C GLN A 19 2.968 -13.076 5.016 1.00 0.00 C > ATOM 290 O GLN A 19 3.311 -14.247 4.823 1.00 0.00 O > ATOM 291 CB GLN A 19 4.149 -11.151 3.906 1.00 0.00 C > ATOM 292 CG GLN A 19 4.375 -10.339 2.642 1.00 0.00 C > ATOM 293 CD GLN A 19 5.479 -9.312 2.804 1.00 0.00 C > ATOM 294 OE1 GLN A 19 5.776 -8.869 3.917 1.00 0.00 O > ATOM 295 NE2 GLN A 19 6.094 -8.925 1.692 1.00 0.00 N > ATOM 296 H GLN A 19 1.736 -10.311 4.020 1.00 0.00 H > ATOM 297 HA GLN A 19 2.990 -12.667 2.927 1.00 0.00 H > ATOM 298 1HB GLN A 19 4.033 -10.455 4.737 1.00 0.00 H > ATOM 299 2HB GLN A 19 5.048 -11.738 4.094 1.00 0.00 H > ATOM 300 1HG GLN A 19 4.653 -11.015 1.833 1.00 0.00 H > ATOM 301 2HG GLN A 19 3.454 -9.815 2.390 1.00 0.00 H > ATOM 302 1HE2 GLN A 19 6.831 -8.249 1.736 1.00 0.00 H > ATOM 303 2HE2 GLN A 19 5.822 -9.310 0.810 1.00 0.00 H > ATOM 304 N ALA A 20 2.594 -12.616 6.211 1.00 0.00 N > ATOM 305 CA ALA A 20 2.536 -13.479 7.400 1.00 0.00 C > ATOM 306 C ALA A 20 1.569 -14.654 7.235 1.00 0.00 C > ATOM 307 O ALA A 20 1.837 -15.755 7.730 1.00 0.00 O > ATOM 308 CB ALA A 20 2.153 -12.657 8.621 1.00 0.00 C > ATOM 309 H ALA A 20 2.343 -11.642 6.297 1.00 0.00 H > ATOM 310 HA ALA A 20 3.522 -13.914 7.565 1.00 0.00 H > ATOM 311 1HB ALA A 20 2.114 -13.305 9.497 1.00 0.00 H > ATOM 312 2HB ALA A 20 2.896 -11.876 8.782 1.00 0.00 H > ATOM 313 3HB ALA A 20 1.177 -12.203 8.462 1.00 0.00 H > ATOM 314 N ALA A 21 0.454 -14.411 6.543 1.00 0.00 N > ATOM 315 CA ALA A 21 -0.556 -15.443 6.269 1.00 0.00 C > ATOM 316 C ALA A 21 -0.206 -16.325 5.064 1.00 0.00 C > ATOM 317 O ALA A 21 -0.916 -17.290 4.780 1.00 0.00 O > ATOM 318 CB ALA A 21 -1.916 -14.791 6.059 1.00 0.00 C > ATOM 319 H ALA A 21 0.306 -13.474 6.196 1.00 0.00 H > ATOM 320 HA ALA A 21 -0.614 -16.112 7.127 1.00 0.00 H > ATOM 321 1HB ALA A 21 -2.660 -15.562 5.855 1.00 0.00 H > ATOM 322 2HB ALA A 21 -2.199 -14.241 6.956 1.00 0.00 H > ATOM 323 3HB ALA A 21 -1.864 -14.106 5.215 1.00 0.00 H > ATOM 324 N GLY A 22 0.875 -16.005 4.356 1.00 0.00 N > ATOM 325 CA GLY A 22 1.234 -16.715 3.127 1.00 0.00 C > ATOM 326 C GLY A 22 0.367 -16.378 1.925 1.00 0.00 C > ATOM 327 O GLY A 22 0.400 -17.089 0.922 1.00 0.00 O > ATOM 328 H GLY A 22 1.463 -15.250 4.677 1.00 0.00 H > ATOM 329 1HA GLY A 22 2.264 -16.472 2.862 1.00 0.00 H > ATOM 330 2HA GLY A 22 1.149 -17.788 3.296 1.00 0.00 H > ATOM 331 N ARG A 23 -0.395 -15.289 2.020 1.00 0.00 N > ATOM 332 CA ARG A 23 -1.362 -14.916 0.976 1.00 0.00 C > ATOM 333 C ARG A 23 -0.671 -14.119 -0.138 1.00 0.00 C > ATOM 334 O ARG A 23 -0.955 -12.929 -0.324 1.00 0.00 O > ATOM 335 CB ARG A 23 -2.561 -14.168 1.538 1.00 0.00 C > ATOM 336 CG ARG A 23 -3.422 -14.972 2.501 1.00 0.00 C > ATOM 337 CD ARG A 23 -4.500 -14.189 3.158 1.00 0.00 C > ATOM 338 NE ARG A 23 -5.568 -13.768 2.265 1.00 0.00 N > ATOM 339 CZ ARG A 23 -6.554 -12.913 2.601 1.00 0.00 C > ATOM 340 NH1 ARG A 23 -6.636 -12.417 3.815 1.00 0.00 N > ATOM 341 NH2 ARG A 23 -7.453 -12.606 1.682 1.00 0.00 N > ATOM 342 H ARG A 23 -0.302 -14.703 2.836 1.00 0.00 H > ATOM 343 HA ARG A 23 -1.773 -15.815 0.516 1.00 0.00 H > ATOM 344 1HB ARG A 23 -2.176 -13.287 2.049 1.00 0.00 H > ATOM 345 2HB ARG A 23 -3.169 -13.858 0.688 1.00 0.00 H > ATOM 346 1HG ARG A 23 -3.887 -15.790 1.951 1.00 0.00 H > ATOM 347 2HG ARG A 23 -2.778 -15.380 3.282 1.00 0.00 H > ATOM 348 1HD ARG A 23 -4.951 -14.796 3.942 1.00 0.00 H > ATOM 349 2HD ARG A 23 -4.068 -13.291 3.596 1.00 0.00 H > ATOM 350 HE ARG A 23 -5.742 -14.027 1.303 1.00 0.00 H > ATOM 351 1HH1 ARG A 23 -5.951 -12.677 4.510 1.00 0.00 H > ATOM 352 2HH1 ARG A 23 -7.383 -11.779 4.046 1.00 0.00 H > ATOM 353 1HH2 ARG A 23 -7.386 -13.011 0.757 1.00 0.00 H > ATOM 354 2HH2 ARG A 23 -8.203 -11.969 1.905 1.00 0.00 H > ATOM 355 N MET A 24 0.213 -14.784 -0.880 1.00 0.00 N > ATOM 356 CA MET A 24 1.039 -14.127 -1.902 1.00 0.00 C > ATOM 357 C MET A 24 0.240 -13.482 -3.044 1.00 0.00 C > ATOM 358 O MET A 24 0.709 -12.514 -3.651 1.00 0.00 O > ATOM 359 CB MET A 24 2.026 -15.140 -2.479 1.00 0.00 C > ATOM 360 CG MET A 24 3.144 -15.544 -1.528 1.00 0.00 C > ATOM 361 SD MET A 24 4.007 -14.124 -0.826 1.00 0.00 S > ATOM 362 CE MET A 24 4.640 -13.346 -2.309 1.00 0.00 C > ATOM 363 H MET A 24 0.316 -15.778 -0.729 1.00 0.00 H > ATOM 364 HA MET A 24 1.595 -13.302 -1.457 1.00 0.00 H > ATOM 365 1HB MET A 24 1.450 -16.022 -2.758 1.00 0.00 H > ATOM 366 2HB MET A 24 2.458 -14.689 -3.374 1.00 0.00 H > ATOM 367 1HG MET A 24 2.708 -16.132 -0.722 1.00 0.00 H > ATOM 368 2HG MET A 24 3.855 -16.157 -2.082 1.00 0.00 H > ATOM 369 1HE MET A 24 5.199 -12.449 -2.040 1.00 0.00 H > ATOM 370 2HE MET A 24 5.298 -14.041 -2.833 1.00 0.00 H > ATOM 371 3HE MET A 24 3.809 -13.073 -2.961 1.00 0.00 H > ATOM 372 N ASP A 25 -0.946 -14.010 -3.346 1.00 0.00 N > ATOM 373 CA ASP A 25 -1.803 -13.381 -4.350 1.00 0.00 C > ATOM 374 C ASP A 25 -2.189 -11.968 -3.914 1.00 0.00 C > ATOM 375 O ASP A 25 -2.190 -11.036 -4.729 1.00 0.00 O > ATOM 376 CB ASP A 25 -3.059 -14.221 -4.594 1.00 0.00 C > ATOM 377 CG ASP A 25 -2.808 -15.526 -5.339 1.00 0.00 C > ATOM 378 OD1 ASP A 25 -1.745 -15.675 -5.895 1.00 0.00 O > ATOM 379 OD2 ASP A 25 -3.610 -16.420 -5.216 1.00 0.00 O > ATOM 380 H ASP A 25 -1.265 -14.851 -2.885 1.00 0.00 H > ATOM 381 HA ASP A 25 -1.261 -13.287 -5.292 1.00 0.00 H > ATOM 382 1HB ASP A 25 -3.628 -14.426 -3.688 1.00 0.00 H > ATOM 383 2HB ASP A 25 -3.623 -13.542 -5.233 1.00 0.00 H > ATOM 384 N GLU A 26 -2.494 -11.820 -2.625 1.00 0.00 N > ATOM 385 CA GLU A 26 -2.829 -10.519 -2.026 1.00 0.00 C > ATOM 386 C GLU A 26 -1.594 -9.633 -1.896 1.00 0.00 C > ATOM 387 O GLU A 26 -1.664 -8.416 -2.080 1.00 0.00 O > ATOM 388 CB GLU A 26 -3.481 -10.709 -0.654 1.00 0.00 C > ATOM 389 CG GLU A 26 -4.835 -11.403 -0.692 1.00 0.00 C > ATOM 390 CD GLU A 26 -5.849 -10.582 -1.440 1.00 0.00 C > ATOM 391 OE1 GLU A 26 -5.978 -9.418 -1.143 1.00 0.00 O > ATOM 392 OE2 GLU A 26 -6.413 -11.085 -2.383 1.00 0.00 O > ATOM 393 H GLU A 26 -2.491 -12.645 -2.042 1.00 0.00 H > ATOM 394 HA GLU A 26 -3.528 -9.984 -2.671 1.00 0.00 H > ATOM 395 1HB GLU A 26 -2.789 -11.299 -0.052 1.00 0.00 H > ATOM 396 2HB GLU A 26 -3.593 -9.719 -0.214 1.00 0.00 H > ATOM 397 1HG GLU A 26 -4.796 -12.406 -1.117 1.00 0.00 H > ATOM 398 2HG GLU A 26 -5.121 -11.465 0.357 1.00 0.00 H > ATOM 399 N VAL A 27 -0.458 -10.237 -1.561 1.00 0.00 N > ATOM 400 CA VAL A 27 0.790 -9.479 -1.474 1.00 0.00 C > ATOM 401 C VAL A 27 1.122 -8.801 -2.810 1.00 0.00 C > ATOM 402 O VAL A 27 1.473 -7.623 -2.820 1.00 0.00 O > ATOM 403 CB VAL A 27 1.968 -10.379 -1.057 1.00 0.00 C > ATOM 404 CG1 VAL A 27 3.286 -9.632 -1.198 1.00 0.00 C > ATOM 405 CG2 VAL A 27 1.784 -10.869 0.371 1.00 0.00 C > ATOM 406 H VAL A 27 -0.446 -11.228 -1.365 1.00 0.00 H > ATOM 407 HA VAL A 27 0.707 -8.660 -0.760 1.00 0.00 H > ATOM 408 HB VAL A 27 1.983 -11.263 -1.696 1.00 0.00 H > ATOM 409 1HG1 VAL A 27 4.108 -10.284 -0.898 1.00 0.00 H > ATOM 410 2HG1 VAL A 27 3.423 -9.330 -2.236 1.00 0.00 H > ATOM 411 3HG1 VAL A 27 3.273 -8.749 -0.559 1.00 0.00 H > ATOM 412 1HG2 VAL A 27 2.625 -11.504 0.649 1.00 0.00 H > ATOM 413 2HG2 VAL A 27 1.736 -10.014 1.045 1.00 0.00 H > ATOM 414 3HG2 VAL A 27 0.859 -11.441 0.444 1.00 0.00 H > ATOM 415 N ARG A 28 1.014 -9.521 -3.931 1.00 0.00 N > ATOM 416 CA ARG A 28 1.275 -8.908 -5.248 1.00 0.00 C > ATOM 417 C ARG A 28 0.291 -7.799 -5.620 1.00 0.00 C > ATOM 418 O ARG A 28 0.712 -6.737 -6.085 1.00 0.00 O > ATOM 419 CB ARG A 28 1.339 -9.956 -6.349 1.00 0.00 C > ATOM 420 CG ARG A 28 2.548 -10.877 -6.287 1.00 0.00 C > ATOM 421 CD ARG A 28 2.509 -12.004 -7.253 1.00 0.00 C > ATOM 422 NE ARG A 28 3.657 -12.894 -7.187 1.00 0.00 N > ATOM 423 CZ ARG A 28 3.759 -14.062 -7.850 1.00 0.00 C > ATOM 424 NH1 ARG A 28 2.772 -14.504 -8.599 1.00 0.00 N > ATOM 425 NH2 ARG A 28 4.869 -14.766 -7.710 1.00 0.00 N > ATOM 426 H ARG A 28 0.752 -10.495 -3.885 1.00 0.00 H > ATOM 427 HA ARG A 28 2.254 -8.427 -5.245 1.00 0.00 H > ATOM 428 1HB ARG A 28 0.430 -10.552 -6.275 1.00 0.00 H > ATOM 429 2HB ARG A 28 1.345 -9.420 -7.299 1.00 0.00 H > ATOM 430 1HG ARG A 28 3.443 -10.289 -6.493 1.00 0.00 H > ATOM 431 2HG ARG A 28 2.612 -11.297 -5.283 1.00 0.00 H > ATOM 432 1HD ARG A 28 1.620 -12.603 -7.063 1.00 0.00 H > ATOM 433 2HD ARG A 28 2.466 -11.602 -8.265 1.00 0.00 H > ATOM 434 HE ARG A 28 4.519 -12.797 -6.667 1.00 0.00 H > ATOM 435 1HH1 ARG A 28 1.923 -13.963 -8.682 1.00 0.00 H > ATOM 436 2HH1 ARG A 28 2.868 -15.382 -9.089 1.00 0.00 H > ATOM 437 1HH2 ARG A 28 5.610 -14.421 -7.117 1.00 0.00 H > ATOM 438 2HH2 ARG A 28 4.970 -15.645 -8.196 1.00 0.00 H > ATOM 439 N THR A 29 -1.008 -8.018 -5.422 1.00 0.00 N > ATOM 440 CA THR A 29 -1.975 -6.967 -5.738 1.00 0.00 C > ATOM 441 C THR A 29 -1.779 -5.751 -4.826 1.00 0.00 C > ATOM 442 O THR A 29 -1.756 -4.620 -5.320 1.00 0.00 O > ATOM 443 CB THR A 29 -3.424 -7.471 -5.604 1.00 0.00 C > ATOM 444 OG1 THR A 29 -3.659 -8.515 -6.557 1.00 0.00 O > ATOM 445 CG2 THR A 29 -4.408 -6.337 -5.848 1.00 0.00 C > ATOM 446 H THR A 29 -1.341 -8.899 -5.056 1.00 0.00 H > ATOM 447 HA THR A 29 -1.820 -6.617 -6.760 1.00 0.00 H > ATOM 448 HB THR A 29 -3.570 -7.868 -4.600 1.00 0.00 H > ATOM 449 HG1 THR A 29 -2.852 -8.688 -7.048 1.00 0.00 H > ATOM 450 1HG2 THR A 29 -5.426 -6.713 -5.750 1.00 0.00 H > ATOM 451 2HG2 THR A 29 -4.239 -5.546 -5.118 1.00 0.00 H > ATOM 452 3HG2 THR A 29 -4.264 -5.940 -6.852 1.00 0.00 H > ATOM 453 N LEU A 30 -1.628 -5.980 -3.516 1.00 0.00 N > ATOM 454 CA LEU A 30 -1.431 -4.871 -2.564 1.00 0.00 C > ATOM 455 C LEU A 30 -0.117 -4.109 -2.814 1.00 0.00 C > ATOM 456 O LEU A 30 -0.081 -2.882 -2.686 1.00 0.00 O > ATOM 457 CB LEU A 30 -1.462 -5.405 -1.126 1.00 0.00 C > ATOM 458 CG LEU A 30 -2.817 -5.954 -0.663 1.00 0.00 C > ATOM 459 CD1 LEU A 30 -2.648 -6.740 0.630 1.00 0.00 C > ATOM 460 CD2 LEU A 30 -3.793 -4.802 -0.469 1.00 0.00 C > ATOM 461 H LEU A 30 -1.649 -6.929 -3.170 1.00 0.00 H > ATOM 462 HA LEU A 30 -2.226 -4.137 -2.688 1.00 0.00 H > ATOM 463 1HB LEU A 30 -0.744 -6.218 -1.224 1.00 0.00 H > ATOM 464 2HB LEU A 30 -1.085 -4.671 -0.414 1.00 0.00 H > ATOM 465 HG LEU A 30 -3.202 -6.586 -1.464 1.00 0.00 H > ATOM 466 1HD1 LEU A 30 -3.616 -7.126 0.950 1.00 0.00 H > ATOM 467 2HD1 LEU A 30 -1.965 -7.573 0.461 1.00 0.00 H > ATOM 468 3HD1 LEU A 30 -2.244 -6.088 1.402 1.00 0.00 H > ATOM 469 1HD2 LEU A 30 -4.756 -5.194 -0.140 1.00 0.00 H > ATOM 470 2HD2 LEU A 30 -3.402 -4.117 0.284 1.00 0.00 H > ATOM 471 3HD2 LEU A 30 -3.920 -4.270 -1.412 1.00 0.00 H > ATOM 472 N GLN A 31 0.960 -4.821 -3.138 1.00 0.00 N > ATOM 473 CA GLN A 31 2.236 -4.147 -3.399 1.00 0.00 C > ATOM 474 C GLN A 31 2.140 -3.191 -4.590 1.00 0.00 C > ATOM 475 O GLN A 31 2.676 -2.082 -4.537 1.00 0.00 O > ATOM 476 CB GLN A 31 3.340 -5.176 -3.656 1.00 0.00 C > ATOM 477 CG GLN A 31 4.735 -4.581 -3.760 1.00 0.00 C > ATOM 478 CD GLN A 31 5.232 -4.037 -2.435 1.00 0.00 C > ATOM 479 OE1 GLN A 31 5.272 -4.753 -1.430 1.00 0.00 O > ATOM 480 NE2 GLN A 31 5.609 -2.764 -2.423 1.00 0.00 N > ATOM 481 H GLN A 31 0.912 -5.828 -3.209 1.00 0.00 H > ATOM 482 HA GLN A 31 2.508 -3.535 -2.539 1.00 0.00 H > ATOM 483 1HB GLN A 31 3.304 -5.890 -2.833 1.00 0.00 H > ATOM 484 2HB GLN A 31 3.086 -5.685 -4.587 1.00 0.00 H > ATOM 485 1HG GLN A 31 5.564 -5.101 -4.242 1.00 0.00 H > ATOM 486 2HG GLN A 31 4.424 -3.741 -4.384 1.00 0.00 H > ATOM 487 1HE2 GLN A 31 5.946 -2.350 -1.577 1.00 0.00 H > ATOM 488 2HE2 GLN A 31 5.559 -2.219 -3.260 1.00 0.00 H > ATOM 489 N GLU A 32 1.442 -3.600 -5.649 1.00 0.00 N > ATOM 490 CA GLU A 32 1.181 -2.716 -6.785 1.00 0.00 C > ATOM 491 C GLU A 32 0.297 -1.523 -6.385 1.00 0.00 C > ATOM 492 O GLU A 32 0.565 -0.393 -6.798 1.00 0.00 O > ATOM 493 CB GLU A 32 0.523 -3.500 -7.924 1.00 0.00 C > ATOM 494 CG GLU A 32 1.448 -4.483 -8.626 1.00 0.00 C > ATOM 495 CD GLU A 32 0.712 -5.276 -9.670 1.00 0.00 C > ATOM 496 OE1 GLU A 32 -0.485 -5.136 -9.761 1.00 0.00 O > ATOM 497 OE2 GLU A 32 1.356 -5.935 -10.451 1.00 0.00 O > ATOM 498 H GLU A 32 1.085 -4.545 -5.668 1.00 0.00 H > ATOM 499 HA GLU A 32 2.118 -2.293 -7.147 1.00 0.00 H > ATOM 500 1HB GLU A 32 -0.320 -4.040 -7.493 1.00 0.00 H > ATOM 501 2HB GLU A 32 0.157 -2.769 -8.644 1.00 0.00 H > ATOM 502 1HG GLU A 32 2.320 -4.012 -9.079 1.00 0.00 H > ATOM 503 2HG GLU A 32 1.770 -5.149 -7.827 1.00 0.00 H > ATOM 504 N ASN A 33 -0.727 -1.756 -5.564 1.00 0.00 N > ATOM 505 CA ASN A 33 -1.591 -0.670 -5.092 1.00 0.00 C > ATOM 506 C ASN A 33 -0.806 0.369 -4.294 1.00 0.00 C > ATOM 507 O ASN A 33 -1.023 1.574 -4.442 1.00 0.00 O > ATOM 508 CB ASN A 33 -2.744 -1.201 -4.259 1.00 0.00 C > ATOM 509 CG ASN A 33 -3.813 -1.880 -5.070 1.00 0.00 C > ATOM 510 OD1 ASN A 33 -3.905 -1.699 -6.290 1.00 0.00 O > ATOM 511 ND2 ASN A 33 -4.670 -2.596 -4.388 1.00 0.00 N > ATOM 512 H ASN A 33 -0.913 -2.701 -5.260 1.00 0.00 H > ATOM 513 HA ASN A 33 -2.019 -0.140 -5.945 1.00 0.00 H > ATOM 514 1HB ASN A 33 -2.558 -1.781 -3.355 1.00 0.00 H > ATOM 515 2HB ASN A 33 -3.090 -0.204 -3.988 1.00 0.00 H > ATOM 516 1HD2 ASN A 33 -5.408 -3.077 -4.863 1.00 0.00 H > ATOM 517 2HD2 ASN A 33 -4.586 -2.662 -3.395 1.00 0.00 H > ATOM 518 N LEU A 34 0.087 -0.119 -3.432 1.00 0.00 N > ATOM 519 CA LEU A 34 0.909 0.742 -2.569 1.00 0.00 C > ATOM 520 C LEU A 34 1.788 1.682 -3.391 1.00 0.00 C > ATOM 521 O LEU A 34 1.845 2.879 -3.110 1.00 0.00 O > ATOM 522 CB LEU A 34 1.775 -0.114 -1.636 1.00 0.00 C > ATOM 523 CG LEU A 34 2.633 0.674 -0.638 1.00 0.00 C > ATOM 524 CD1 LEU A 34 1.739 1.465 0.308 1.00 0.00 C > ATOM 525 CD2 LEU A 34 3.523 -0.286 0.137 1.00 0.00 C > ATOM 526 H LEU A 34 0.198 -1.121 -3.377 1.00 0.00 H > ATOM 527 HA LEU A 34 0.262 1.377 -1.966 1.00 0.00 H > ATOM 528 1HB LEU A 34 0.989 -0.653 -1.110 1.00 0.00 H > ATOM 529 2HB LEU A 34 2.391 -0.821 -2.193 1.00 0.00 H > ATOM 530 HG LEU A 34 3.280 1.334 -1.217 1.00 0.00 H > ATOM 531 1HD1 LEU A 34 2.358 2.021 1.013 1.00 0.00 H > ATOM 532 2HD1 LEU A 34 1.128 2.162 -0.266 1.00 0.00 H > ATOM 533 3HD1 LEU A 34 1.093 0.779 0.855 1.00 0.00 H > ATOM 534 1HD2 LEU A 34 4.133 0.275 0.845 1.00 0.00 H > ATOM 535 2HD2 LEU A 34 2.903 -1.001 0.677 1.00 0.00 H > ATOM 536 3HD2 LEU A 34 4.173 -0.820 -0.556 1.00 0.00 H > ATOM 537 N HIS A 35 2.490 1.137 -4.427 1.00 0.00 N > ATOM 538 CA HIS A 35 3.358 1.950 -5.274 1.00 0.00 C > ATOM 539 C HIS A 35 2.559 2.984 -6.032 1.00 0.00 C > ATOM 540 O HIS A 35 2.990 4.135 -6.166 1.00 0.00 O > ATOM 541 CB HIS A 35 4.142 1.073 -6.257 1.00 0.00 C > ATOM 542 CG HIS A 35 5.219 1.807 -6.992 1.00 0.00 C > ATOM 543 ND1 HIS A 35 6.291 1.168 -7.578 1.00 0.00 N > ATOM 544 CD2 HIS A 35 5.391 3.129 -7.236 1.00 0.00 C > ATOM 545 CE1 HIS A 35 7.074 2.063 -8.151 1.00 0.00 C > ATOM 546 NE2 HIS A 35 6.551 3.259 -7.960 1.00 0.00 N > ATOM 547 H HIS A 35 2.408 0.148 -4.614 1.00 0.00 H > ATOM 548 HA HIS A 35 4.073 2.495 -4.656 1.00 0.00 H > ATOM 549 1HB HIS A 35 4.630 0.256 -5.726 1.00 0.00 H > ATOM 550 2HB HIS A 35 3.470 0.665 -7.012 1.00 0.00 H > ATOM 551 HD1 HIS A 35 6.425 0.179 -7.641 1.00 0.00 H > ATOM 552 HD2 HIS A 35 4.807 4.012 -6.976 1.00 0.00 H > ATOM 553 HE1 HIS A 35 7.981 1.754 -8.672 1.00 0.00 H > ATOM 554 N GLN A 36 1.418 2.575 -6.573 1.00 0.00 N > ATOM 555 CA GLN A 36 0.530 3.490 -7.287 1.00 0.00 C > ATOM 556 C GLN A 36 -0.035 4.590 -6.377 1.00 0.00 C > ATOM 557 O GLN A 36 -0.126 5.751 -6.799 1.00 0.00 O > ATOM 558 CB GLN A 36 -0.623 2.710 -7.923 1.00 0.00 C > ATOM 559 CG GLN A 36 -0.208 1.815 -9.080 1.00 0.00 C > ATOM 560 CD GLN A 36 -1.319 0.880 -9.517 1.00 0.00 C > ATOM 561 OE1 GLN A 36 -2.380 0.818 -8.890 1.00 0.00 O > ATOM 562 NE2 GLN A 36 -1.080 0.144 -10.596 1.00 0.00 N > ATOM 563 H GLN A 36 1.158 1.603 -6.488 1.00 0.00 H > ATOM 564 HA GLN A 36 1.090 4.009 -8.065 1.00 0.00 H > ATOM 565 1HB GLN A 36 -1.069 2.107 -7.133 1.00 0.00 H > ATOM 566 2HB GLN A 36 -1.347 3.446 -8.271 1.00 0.00 H > ATOM 567 1HG GLN A 36 0.280 2.197 -9.976 1.00 0.00 H > ATOM 568 2HG GLN A 36 0.513 1.243 -8.492 1.00 0.00 H > ATOM 569 1HE2 GLN A 36 -1.776 -0.492 -10.933 1.00 0.00 H > ATOM 570 2HE2 GLN A 36 -0.205 0.224 -11.074 1.00 0.00 H > ATOM 571 N LEU A 37 -0.388 4.248 -5.131 1.00 0.00 N > ATOM 572 CA LEU A 37 -0.853 5.253 -4.167 1.00 0.00 C > ATOM 573 C LEU A 37 0.217 6.301 -3.875 1.00 0.00 C > ATOM 574 O LEU A 37 -0.101 7.482 -3.718 1.00 0.00 O > ATOM 575 CB LEU A 37 -1.290 4.571 -2.865 1.00 0.00 C > ATOM 576 CG LEU A 37 -2.611 3.796 -2.946 1.00 0.00 C > ATOM 577 CD1 LEU A 37 -2.760 2.891 -1.730 1.00 0.00 C > ATOM 578 CD2 LEU A 37 -3.772 4.776 -3.033 1.00 0.00 C > ATOM 579 H LEU A 37 -0.335 3.280 -4.847 1.00 0.00 H > ATOM 580 HA LEU A 37 -1.700 5.795 -4.585 1.00 0.00 H > ATOM 581 1HB LEU A 37 -0.458 3.879 -2.740 1.00 0.00 H > ATOM 582 2HB LEU A 37 -1.310 5.270 -2.030 1.00 0.00 H > ATOM 583 HG LEU A 37 -2.593 3.218 -3.870 1.00 0.00 H > ATOM 584 1HD1 LEU A 37 -3.701 2.343 -1.796 1.00 0.00 H > ATOM 585 2HD1 LEU A 37 -1.932 2.183 -1.699 1.00 0.00 H > ATOM 586 3HD1 LEU A 37 -2.754 3.495 -0.824 1.00 0.00 H > ATOM 587 1HD2 LEU A 37 -4.710 4.224 -3.091 1.00 0.00 H > ATOM 588 2HD2 LEU A 37 -3.778 5.412 -2.148 1.00 0.00 H > ATOM 589 3HD2 LEU A 37 -3.660 5.395 -3.924 1.00 0.00 H > ATOM 590 N GLN A 38 1.479 5.880 -3.798 1.00 0.00 N > ATOM 591 CA GLN A 38 2.568 6.827 -3.577 1.00 0.00 C > ATOM 592 C GLN A 38 2.618 7.879 -4.684 1.00 0.00 C > ATOM 593 O GLN A 38 2.860 9.052 -4.399 1.00 0.00 O > ATOM 594 CB GLN A 38 3.909 6.091 -3.501 1.00 0.00 C > ATOM 595 CG GLN A 38 5.065 6.954 -3.024 1.00 0.00 C > ATOM 596 CD GLN A 38 4.930 7.347 -1.565 1.00 0.00 C > ATOM 597 OE1 GLN A 38 4.772 6.491 -0.689 1.00 0.00 O > ATOM 598 NE2 GLN A 38 4.987 8.645 -1.296 1.00 0.00 N > ATOM 599 H GLN A 38 1.692 4.897 -3.892 1.00 0.00 H > ATOM 600 HA GLN A 38 2.401 7.365 -2.646 1.00 0.00 H > ATOM 601 1HB GLN A 38 3.769 5.251 -2.821 1.00 0.00 H > ATOM 602 2HB GLN A 38 4.120 5.715 -4.503 1.00 0.00 H > ATOM 603 1HG GLN A 38 6.108 6.695 -3.206 1.00 0.00 H > ATOM 604 2HG GLN A 38 4.793 7.811 -3.639 1.00 0.00 H > ATOM 605 1HE2 GLN A 38 4.904 8.964 -0.351 1.00 0.00 H > ATOM 606 2HE2 GLN A 38 5.113 9.305 -2.037 1.00 0.00 H > ATOM 607 N HIS A 39 2.372 7.481 -5.959 1.00 0.00 N > ATOM 608 CA HIS A 39 2.362 8.471 -7.033 1.00 0.00 C > ATOM 609 C HIS A 39 1.263 9.485 -6.820 1.00 0.00 C > ATOM 610 O HIS A 39 1.498 10.689 -6.960 1.00 0.00 O > ATOM 611 CB HIS A 39 2.192 7.793 -8.397 1.00 0.00 C > ATOM 612 CG HIS A 39 3.439 7.137 -8.901 1.00 0.00 C > ATOM 613 ND1 HIS A 39 3.676 6.925 -10.244 1.00 0.00 N > ATOM 614 CD2 HIS A 39 4.516 6.646 -8.244 1.00 0.00 C > ATOM 615 CE1 HIS A 39 4.849 6.331 -10.391 1.00 0.00 C > ATOM 616 NE2 HIS A 39 5.377 6.151 -9.194 1.00 0.00 N > ATOM 617 H HIS A 39 2.197 6.511 -6.183 1.00 0.00 H > ATOM 618 HA HIS A 39 3.303 9.021 -7.036 1.00 0.00 H > ATOM 619 1HB HIS A 39 1.431 7.014 -8.337 1.00 0.00 H > ATOM 620 2HB HIS A 39 1.901 8.529 -9.146 1.00 0.00 H > ATOM 621 HD1 HIS A 39 3.107 7.240 -11.002 1.00 0.00 H > ATOM 622 HD2 HIS A 39 4.778 6.589 -7.188 1.00 0.00 H > ATOM 623 HE1 HIS A 39 5.221 6.078 -11.384 1.00 0.00 H > ATOM 624 N GLU A 40 0.051 9.021 -6.530 1.00 0.00 N > ATOM 625 CA GLU A 40 -1.067 9.938 -6.318 1.00 0.00 C > ATOM 626 C GLU A 40 -0.784 10.915 -5.171 1.00 0.00 C > ATOM 627 O GLU A 40 -1.075 12.116 -5.283 1.00 0.00 O > ATOM 628 CB GLU A 40 -2.351 9.155 -6.036 1.00 0.00 C > ATOM 629 CG GLU A 40 -3.607 10.011 -5.965 1.00 0.00 C > ATOM 630 CD GLU A 40 -4.838 9.164 -5.799 1.00 0.00 C > ATOM 631 OE1 GLU A 40 -4.706 7.965 -5.732 1.00 0.00 O > ATOM 632 OE2 GLU A 40 -5.898 9.718 -5.627 1.00 0.00 O > ATOM 633 H GLU A 40 -0.107 8.026 -6.454 1.00 0.00 H > ATOM 634 HA GLU A 40 -1.219 10.549 -7.209 1.00 0.00 H > ATOM 635 1HB GLU A 40 -2.458 8.421 -6.836 1.00 0.00 H > ATOM 636 2HB GLU A 40 -2.208 8.640 -5.087 1.00 0.00 H > ATOM 637 1HG GLU A 40 -3.575 10.762 -5.177 1.00 0.00 H > ATOM 638 2HG GLU A 40 -3.635 10.506 -6.935 1.00 0.00 H > ATOM 639 N TYR A 41 -0.227 10.406 -4.072 1.00 0.00 N > ATOM 640 CA TYR A 41 0.171 11.257 -2.941 1.00 0.00 C > ATOM 641 C TYR A 41 1.225 12.284 -3.370 1.00 0.00 C > ATOM 642 O TYR A 41 1.058 13.489 -3.134 1.00 0.00 O > ATOM 643 CB TYR A 41 0.707 10.405 -1.788 1.00 0.00 C > ATOM 644 CG TYR A 41 1.140 11.208 -0.582 1.00 0.00 C > ATOM 645 CD1 TYR A 41 0.205 11.739 0.294 1.00 0.00 C > ATOM 646 CD2 TYR A 41 2.484 11.432 -0.323 1.00 0.00 C > ATOM 647 CE1 TYR A 41 0.595 12.473 1.397 1.00 0.00 C > ATOM 648 CE2 TYR A 41 2.886 12.163 0.778 1.00 0.00 C > ATOM 649 CZ TYR A 41 1.938 12.683 1.636 1.00 0.00 C > ATOM 650 OH TYR A 41 2.333 13.412 2.734 1.00 0.00 O > ATOM 651 H TYR A 41 -0.075 9.409 -4.015 1.00 0.00 H > ATOM 652 HA TYR A 41 -0.689 11.822 -2.583 1.00 0.00 H > ATOM 653 1HB TYR A 41 -0.087 9.715 -1.501 1.00 0.00 H > ATOM 654 2HB TYR A 41 1.556 9.840 -2.174 1.00 0.00 H > ATOM 655 HD1 TYR A 41 -0.854 11.568 0.099 1.00 0.00 H > ATOM 656 HD2 TYR A 41 3.228 11.020 -1.005 1.00 0.00 H > ATOM 657 HE1 TYR A 41 -0.150 12.884 2.077 1.00 0.00 H > ATOM 658 HE2 TYR A 41 3.947 12.327 0.964 1.00 0.00 H > ATOM 659 HH TYR A 41 3.287 13.502 2.801 1.00 0.00 H > ATOM 660 N ASP A 42 2.300 11.812 -4.002 1.00 0.00 N > ATOM 661 CA ASP A 42 3.397 12.690 -4.428 1.00 0.00 C > ATOM 662 C ASP A 42 2.902 13.818 -5.339 1.00 0.00 C > ATOM 663 O ASP A 42 3.292 14.976 -5.162 1.00 0.00 O > ATOM 664 CB ASP A 42 4.481 11.879 -5.143 1.00 0.00 C > ATOM 665 CG ASP A 42 5.281 10.957 -4.233 1.00 0.00 C > ATOM 666 OD1 ASP A 42 5.169 11.092 -3.038 1.00 0.00 O > ATOM 667 OD2 ASP A 42 5.871 10.030 -4.732 1.00 0.00 O > ATOM 668 H ASP A 42 2.360 10.822 -4.193 1.00 0.00 H > ATOM 669 HA ASP A 42 3.841 13.174 -3.558 1.00 0.00 H > ATOM 670 1HB ASP A 42 4.108 11.312 -5.997 1.00 0.00 H > ATOM 671 2HB ASP A 42 5.123 12.687 -5.495 1.00 0.00 H > ATOM 672 N GLN A 43 2.045 13.484 -6.303 1.00 0.00 N > ATOM 673 CA GLN A 43 1.496 14.489 -7.220 1.00 0.00 C > ATOM 674 C GLN A 43 0.652 15.537 -6.482 1.00 0.00 C > ATOM 675 O GLN A 43 0.712 16.727 -6.811 1.00 0.00 O > ATOM 676 CB GLN A 43 0.646 13.814 -8.300 1.00 0.00 C > ATOM 677 CG GLN A 43 1.448 13.019 -9.317 1.00 0.00 C > ATOM 678 CD GLN A 43 0.566 12.174 -10.216 1.00 0.00 C > ATOM 679 OE1 GLN A 43 -0.647 12.080 -10.009 1.00 0.00 O > ATOM 680 NE2 GLN A 43 1.172 11.548 -11.219 1.00 0.00 N > ATOM 681 H GLN A 43 1.766 12.519 -6.408 1.00 0.00 H > ATOM 682 HA GLN A 43 2.312 15.036 -7.693 1.00 0.00 H > ATOM 683 1HB GLN A 43 -0.052 13.155 -7.785 1.00 0.00 H > ATOM 684 2HB GLN A 43 0.093 14.604 -8.805 1.00 0.00 H > ATOM 685 1HG GLN A 43 2.225 13.468 -9.936 1.00 0.00 H > ATOM 686 2HG GLN A 43 1.909 12.367 -8.574 1.00 0.00 H > ATOM 687 1HE2 GLN A 43 0.642 10.975 -11.846 1.00 0.00 H > ATOM 688 2HE2 GLN A 43 2.159 11.649 -11.349 1.00 0.00 H > ATOM 689 N GLN A 44 -0.110 15.104 -5.479 1.00 0.00 N > ATOM 690 CA GLN A 44 -0.911 16.022 -4.667 1.00 0.00 C > ATOM 691 C GLN A 44 -0.028 16.949 -3.818 1.00 0.00 C > ATOM 692 O GLN A 44 -0.385 18.102 -3.580 1.00 0.00 O > ATOM 693 CB GLN A 44 -1.858 15.236 -3.756 1.00 0.00 C > ATOM 694 CG GLN A 44 -2.863 16.097 -3.009 1.00 0.00 C > ATOM 695 CD GLN A 44 -3.834 16.793 -3.943 1.00 0.00 C > ATOM 696 OE1 GLN A 44 -4.481 16.154 -4.778 1.00 0.00 O > ATOM 697 NE2 GLN A 44 -3.940 18.111 -3.811 1.00 0.00 N > ATOM 698 H GLN A 44 -0.136 14.115 -5.275 1.00 0.00 H > ATOM 699 HA GLN A 44 -1.494 16.672 -5.319 1.00 0.00 H > ATOM 700 1HB GLN A 44 -2.383 14.521 -4.390 1.00 0.00 H > ATOM 701 2HB GLN A 44 -1.233 14.698 -3.043 1.00 0.00 H > ATOM 702 1HG GLN A 44 -3.425 15.736 -2.149 1.00 0.00 H > ATOM 703 2HG GLN A 44 -2.122 16.825 -2.677 1.00 0.00 H > ATOM 704 1HE2 GLN A 44 -4.566 18.624 -4.400 1.00 0.00 H > ATOM 705 2HE2 GLN A 44 -3.396 18.590 -3.123 1.00 0.00 H > ATOM 706 N GLN A 45 1.118 16.438 -3.371 1.00 0.00 N > ATOM 707 CA GLN A 45 2.051 17.201 -2.533 1.00 0.00 C > ATOM 708 C GLN A 45 2.920 18.144 -3.369 1.00 0.00 C > ATOM 709 O GLN A 45 3.335 19.198 -2.889 1.00 0.00 O > ATOM 710 CB GLN A 45 2.947 16.253 -1.732 1.00 0.00 C > ATOM 711 CG GLN A 45 2.207 15.425 -0.696 1.00 0.00 C > ATOM 712 CD GLN A 45 1.595 16.279 0.398 1.00 0.00 C > ATOM 713 OE1 GLN A 45 2.280 17.088 1.030 1.00 0.00 O > ATOM 714 NE2 GLN A 45 0.299 16.101 0.632 1.00 0.00 N > ATOM 715 H GLN A 45 1.348 15.487 -3.624 1.00 0.00 H > ATOM 716 HA GLN A 45 1.490 17.833 -1.845 1.00 0.00 H > ATOM 717 1HB GLN A 45 3.433 15.594 -2.454 1.00 0.00 H > ATOM 718 2HB GLN A 45 3.699 16.870 -1.241 1.00 0.00 H > ATOM 719 1HG GLN A 45 1.483 14.654 -0.963 1.00 0.00 H > ATOM 720 2HG GLN A 45 3.108 14.953 -0.302 1.00 0.00 H > ATOM 721 1HE2 GLN A 45 -0.159 16.637 1.342 1.00 0.00 H > ATOM 722 2HE2 GLN A 45 -0.219 15.433 0.097 1.00 0.00 H > ATOM 723 N THR A 46 3.194 17.755 -4.615 1.00 0.00 N > ATOM 724 CA THR A 46 4.021 18.551 -5.528 1.00 0.00 C > ATOM 725 C THR A 46 3.175 19.528 -6.338 1.00 0.00 C > ATOM 726 O THR A 46 2.232 20.126 -5.824 1.00 0.00 O > ATOM 727 OXT THR A 46 3.427 19.723 -7.495 1.00 0.00 O > ATOM 728 CB THR A 46 4.816 17.657 -6.498 1.00 0.00 C > ATOM 729 OG1 THR A 46 5.710 16.819 -5.754 1.00 0.00 O > ATOM 730 CG2 THR A 46 5.615 18.506 -7.473 1.00 0.00 C > ATOM 731 H THR A 46 2.814 16.876 -4.936 1.00 0.00 H > ATOM 732 HA THR A 46 4.725 19.156 -4.956 1.00 0.00 H > ATOM 733 HB THR A 46 4.120 17.028 -7.052 1.00 0.00 H > ATOM 734 HG1 THR A 46 5.559 16.945 -4.814 1.00 0.00 H > ATOM 735 1HG2 THR A 46 6.170 17.856 -8.150 1.00 0.00 H > ATOM 736 2HG2 THR A 46 4.937 19.135 -8.048 1.00 0.00 H > ATOM 737 3HG2 THR A 46 6.312 19.133 -6.920 1.00 0.00 H 756,1498c750,1490 < ATOM 745 N GLY B 1 10.862 15.079 10.581 1.00 0.00 N < ATOM 746 CA GLY B 1 9.796 14.770 9.590 1.00 0.00 C < ATOM 747 C GLY B 1 10.120 15.187 8.168 1.00 0.00 C < ATOM 748 O GLY B 1 10.498 14.353 7.349 1.00 0.00 O < ATOM 749 1H GLY B 1 10.665 15.682 11.355 1.00 0.00 H < ATOM 750 2H GLY B 1 11.288 14.340 11.104 1.00 0.00 H < ATOM 751 3H GLY B 1 11.706 15.526 10.285 1.00 0.00 H < ATOM 752 1HA GLY B 1 9.619 13.694 9.580 1.00 0.00 H < ATOM 753 2HA GLY B 1 8.881 15.285 9.879 1.00 0.00 H < ATOM 754 N SER B 2 9.970 16.478 7.879 1.00 0.00 N < ATOM 755 CA SER B 2 10.125 17.009 6.519 1.00 0.00 C < ATOM 756 C SER B 2 11.323 16.458 5.734 1.00 0.00 C < ATOM 757 O SER B 2 11.137 15.947 4.634 1.00 0.00 O < ATOM 758 CB SER B 2 10.221 18.521 6.589 1.00 0.00 C < ATOM 759 OG SER B 2 9.024 19.105 7.024 1.00 0.00 O < ATOM 760 H SER B 2 9.740 17.111 8.631 1.00 0.00 H < ATOM 761 HA SER B 2 9.241 16.864 5.895 1.00 0.00 H < ATOM 762 1HB SER B 2 11.018 18.787 7.282 1.00 0.00 H < ATOM 763 2HB SER B 2 10.461 18.901 5.597 1.00 0.00 H < ATOM 764 HG SER B 2 8.374 18.416 7.189 1.00 0.00 H < ATOM 765 N PRO B 3 12.548 16.577 6.276 1.00 0.00 N < ATOM 766 CA PRO B 3 13.714 16.141 5.495 1.00 0.00 C < ATOM 767 C PRO B 3 13.723 14.631 5.193 1.00 0.00 C < ATOM 768 O PRO B 3 14.360 14.203 4.220 1.00 0.00 O < ATOM 769 CB PRO B 3 14.903 16.549 6.372 1.00 0.00 C < ATOM 770 CG PRO B 3 14.337 16.633 7.748 1.00 0.00 C < ATOM 771 CD PRO B 3 12.963 17.223 7.580 1.00 0.00 C < ATOM 772 HA PRO B 3 13.755 16.601 4.497 1.00 0.00 H < ATOM 773 1HB PRO B 3 15.714 15.808 6.320 1.00 0.00 H < ATOM 774 2HB PRO B 3 15.325 17.514 6.055 1.00 0.00 H < ATOM 775 1HG PRO B 3 14.286 15.640 8.219 1.00 0.00 H < ATOM 776 2HG PRO B 3 14.962 17.264 8.397 1.00 0.00 H < ATOM 777 1HD PRO B 3 12.299 16.977 8.421 1.00 0.00 H < ATOM 778 2HD PRO B 3 12.989 18.319 7.501 1.00 0.00 H < ATOM 779 N LEU B 4 13.030 13.842 6.013 1.00 0.00 N < ATOM 780 CA LEU B 4 12.924 12.391 5.795 1.00 0.00 C < ATOM 781 C LEU B 4 11.989 12.073 4.632 1.00 0.00 C < ATOM 782 O LEU B 4 12.298 11.232 3.786 1.00 0.00 O < ATOM 783 CB LEU B 4 12.437 11.694 7.071 1.00 0.00 C < ATOM 784 CG LEU B 4 13.450 11.657 8.223 1.00 0.00 C < ATOM 785 CD1 LEU B 4 12.796 11.091 9.476 1.00 0.00 C < ATOM 786 CD2 LEU B 4 14.653 10.820 7.816 1.00 0.00 C < ATOM 787 H LEU B 4 12.565 14.255 6.809 1.00 0.00 H < ATOM 788 HA LEU B 4 13.900 11.989 5.526 1.00 0.00 H < ATOM 789 1HB LEU B 4 11.606 12.349 7.326 1.00 0.00 H < ATOM 790 2HB LEU B 4 12.059 10.692 6.866 1.00 0.00 H < ATOM 791 HG LEU B 4 13.794 12.679 8.383 1.00 0.00 H < ATOM 792 1HD1 LEU B 4 13.523 11.068 10.288 1.00 0.00 H < ATOM 793 2HD1 LEU B 4 11.953 11.718 9.762 1.00 0.00 H < ATOM 794 3HD1 LEU B 4 12.445 10.078 9.277 1.00 0.00 H < ATOM 795 1HD2 LEU B 4 15.372 10.796 8.635 1.00 0.00 H < ATOM 796 2HD2 LEU B 4 14.330 9.804 7.587 1.00 0.00 H < ATOM 797 3HD2 LEU B 4 15.122 11.258 6.936 1.00 0.00 H < ATOM 798 N LEU B 5 10.835 12.734 4.594 1.00 0.00 N < ATOM 799 CA LEU B 5 9.882 12.529 3.508 1.00 0.00 C < ATOM 800 C LEU B 5 10.452 13.005 2.164 1.00 0.00 C < ATOM 801 O LEU B 5 10.242 12.364 1.137 1.00 0.00 O < ATOM 802 CB LEU B 5 8.567 13.254 3.820 1.00 0.00 C < ATOM 803 CG LEU B 5 7.429 13.001 2.824 1.00 0.00 C < ATOM 804 CD1 LEU B 5 7.094 11.516 2.780 1.00 0.00 C < ATOM 805 CD2 LEU B 5 6.210 13.818 3.225 1.00 0.00 C < ATOM 806 H LEU B 5 10.611 13.391 5.327 1.00 0.00 H < ATOM 807 HA LEU B 5 9.682 11.463 3.394 1.00 0.00 H < ATOM 808 1HB LEU B 5 8.334 12.792 4.779 1.00 0.00 H < ATOM 809 2HB LEU B 5 8.720 14.323 3.960 1.00 0.00 H < ATOM 810 HG LEU B 5 7.764 13.359 1.850 1.00 0.00 H < ATOM 811 1HD1 LEU B 5 6.285 11.344 2.070 1.00 0.00 H < ATOM 812 2HD1 LEU B 5 7.974 10.953 2.468 1.00 0.00 H < ATOM 813 3HD1 LEU B 5 6.783 11.184 3.770 1.00 0.00 H < ATOM 814 1HD2 LEU B 5 5.402 13.636 2.515 1.00 0.00 H < ATOM 815 2HD2 LEU B 5 5.888 13.524 4.224 1.00 0.00 H < ATOM 816 3HD2 LEU B 5 6.465 14.877 3.222 1.00 0.00 H < ATOM 817 N GLN B 6 11.163 14.129 2.175 1.00 0.00 N < ATOM 818 CA GLN B 6 11.801 14.654 0.964 1.00 0.00 C < ATOM 819 C GLN B 6 12.812 13.651 0.400 1.00 0.00 C < ATOM 820 O GLN B 6 12.868 13.424 -0.817 1.00 0.00 O < ATOM 821 CB GLN B 6 12.500 15.985 1.258 1.00 0.00 C < ATOM 822 CG GLN B 6 11.551 17.153 1.466 1.00 0.00 C < ATOM 823 CD GLN B 6 12.272 18.411 1.910 1.00 0.00 C < ATOM 824 OE1 GLN B 6 13.481 18.396 2.160 1.00 0.00 O < ATOM 825 NE2 GLN B 6 11.533 19.511 2.015 1.00 0.00 N < ATOM 826 H GLN B 6 11.265 14.634 3.043 1.00 0.00 H < ATOM 827 HA GLN B 6 11.048 14.808 0.192 1.00 0.00 H < ATOM 828 1HB GLN B 6 13.101 15.833 2.154 1.00 0.00 H < ATOM 829 2HB GLN B 6 13.154 16.190 0.411 1.00 0.00 H < ATOM 830 1HG GLN B 6 10.798 17.439 0.732 1.00 0.00 H < ATOM 831 2HG GLN B 6 11.060 16.712 2.335 1.00 0.00 H < ATOM 832 1HE2 GLN B 6 11.954 20.371 2.304 1.00 0.00 H < ATOM 833 2HE2 GLN B 6 10.556 19.479 1.804 1.00 0.00 H < ATOM 834 N GLN B 7 13.605 13.054 1.288 1.00 0.00 N < ATOM 835 CA GLN B 7 14.594 12.038 0.902 1.00 0.00 C < ATOM 836 C GLN B 7 13.909 10.776 0.395 1.00 0.00 C < ATOM 837 O GLN B 7 14.364 10.160 -0.573 1.00 0.00 O < ATOM 838 CB GLN B 7 15.503 11.691 2.084 1.00 0.00 C < ATOM 839 CG GLN B 7 16.654 10.764 1.731 1.00 0.00 C < ATOM 840 CD GLN B 7 17.656 11.414 0.796 1.00 0.00 C < ATOM 841 OE1 GLN B 7 18.078 12.554 1.011 1.00 0.00 O < ATOM 842 NE2 GLN B 7 18.039 10.695 -0.252 1.00 0.00 N < ATOM 843 H GLN B 7 13.519 13.312 2.260 1.00 0.00 H < ATOM 844 HA GLN B 7 15.204 12.416 0.081 1.00 0.00 H < ATOM 845 1HB GLN B 7 15.892 12.633 2.470 1.00 0.00 H < ATOM 846 2HB GLN B 7 14.873 11.222 2.839 1.00 0.00 H < ATOM 847 1HG GLN B 7 17.213 10.204 2.481 1.00 0.00 H < ATOM 848 2HG GLN B 7 16.037 10.076 1.151 1.00 0.00 H < ATOM 849 1HE2 GLN B 7 18.697 11.071 -0.904 1.00 0.00 H < ATOM 850 2HE2 GLN B 7 17.670 9.775 -0.390 1.00 0.00 H < ATOM 851 N ILE B 8 12.818 10.391 1.052 1.00 0.00 N < ATOM 852 CA ILE B 8 11.989 9.265 0.615 1.00 0.00 C < ATOM 853 C ILE B 8 11.431 9.487 -0.800 1.00 0.00 C < ATOM 854 O ILE B 8 11.466 8.568 -1.630 1.00 0.00 O < ATOM 855 CB ILE B 8 10.819 9.022 1.586 1.00 0.00 C < ATOM 856 CG1 ILE B 8 11.328 8.406 2.892 1.00 0.00 C < ATOM 857 CG2 ILE B 8 9.772 8.124 0.944 1.00 0.00 C < ATOM 858 CD1 ILE B 8 10.307 8.410 4.007 1.00 0.00 C < ATOM 859 H ILE B 8 12.557 10.900 1.884 1.00 0.00 H < ATOM 860 HA ILE B 8 12.587 8.358 0.531 1.00 0.00 H < ATOM 861 HB ILE B 8 10.368 9.978 1.845 1.00 0.00 H < ATOM 862 1HG1 ILE B 8 11.625 7.380 2.673 1.00 0.00 H < ATOM 863 2HG1 ILE B 8 12.204 8.978 3.200 1.00 0.00 H < ATOM 864 1HG2 ILE B 8 8.953 7.962 1.644 1.00 0.00 H < ATOM 865 2HG2 ILE B 8 9.390 8.599 0.042 1.00 0.00 H < ATOM 866 3HG2 ILE B 8 10.224 7.165 0.685 1.00 0.00 H < ATOM 867 1HD1 ILE B 8 10.740 7.958 4.900 1.00 0.00 H < ATOM 868 2HD1 ILE B 8 10.010 9.436 4.228 1.00 0.00 H < ATOM 869 3HD1 ILE B 8 9.432 7.837 3.702 1.00 0.00 H < ATOM 870 N HIS B 9 10.930 10.693 -1.081 1.00 0.00 N < ATOM 871 CA HIS B 9 10.425 11.023 -2.424 1.00 0.00 C < ATOM 872 C HIS B 9 11.553 10.952 -3.458 1.00 0.00 C < ATOM 873 O HIS B 9 11.361 10.488 -4.586 1.00 0.00 O < ATOM 874 CB HIS B 9 9.792 12.418 -2.444 1.00 0.00 C < ATOM 875 CG HIS B 9 8.431 12.470 -1.821 1.00 0.00 C < ATOM 876 ND1 HIS B 9 7.798 13.657 -1.517 1.00 0.00 N < ATOM 877 CD2 HIS B 9 7.584 11.484 -1.445 1.00 0.00 C < ATOM 878 CE1 HIS B 9 6.618 13.397 -0.981 1.00 0.00 C < ATOM 879 NE2 HIS B 9 6.465 12.087 -0.926 1.00 0.00 N < ATOM 880 H HIS B 9 10.898 11.395 -0.357 1.00 0.00 H < ATOM 881 HA HIS B 9 9.674 10.290 -2.723 1.00 0.00 H < ATOM 882 1HB HIS B 9 10.438 13.118 -1.913 1.00 0.00 H < ATOM 883 2HB HIS B 9 9.709 12.765 -3.474 1.00 0.00 H < ATOM 884 HD2 HIS B 9 7.758 10.411 -1.536 1.00 0.00 H < ATOM 885 HE1 HIS B 9 5.895 14.138 -0.642 1.00 0.00 H < ATOM 886 HE2 HIS B 9 5.658 11.601 -0.562 1.00 0.00 H < ATOM 887 N ASN B 10 12.720 11.451 -3.070 1.00 0.00 N < ATOM 888 CA ASN B 10 13.891 11.425 -3.939 1.00 0.00 C < ATOM 889 C ASN B 10 14.345 10.008 -4.280 1.00 0.00 C < ATOM 890 O ASN B 10 14.596 9.719 -5.449 1.00 0.00 O < ATOM 891 CB ASN B 10 15.040 12.201 -3.323 1.00 0.00 C < ATOM 892 CG ASN B 10 14.846 13.692 -3.343 1.00 0.00 C < ATOM 893 OD1 ASN B 10 14.049 14.223 -4.125 1.00 0.00 O < ATOM 894 ND2 ASN B 10 15.626 14.374 -2.544 1.00 0.00 N < ATOM 895 H ASN B 10 12.800 11.858 -2.149 1.00 0.00 H < ATOM 896 HA ASN B 10 13.651 11.890 -4.896 1.00 0.00 H < ATOM 897 1HB ASN B 10 15.458 11.908 -2.358 1.00 0.00 H < ATOM 898 2HB ASN B 10 15.735 11.926 -4.117 1.00 0.00 H < ATOM 899 1HD2 ASN B 10 15.552 15.370 -2.505 1.00 0.00 H < ATOM 900 2HD2 ASN B 10 16.295 13.899 -1.974 1.00 0.00 H < ATOM 901 N ILE B 11 14.445 9.121 -3.287 1.00 0.00 N < ATOM 902 CA ILE B 11 14.896 7.748 -3.565 1.00 0.00 C < ATOM 903 C ILE B 11 13.880 7.034 -4.457 1.00 0.00 C < ATOM 904 O ILE B 11 14.249 6.348 -5.414 1.00 0.00 O < ATOM 905 CB ILE B 11 15.098 6.934 -2.273 1.00 0.00 C < ATOM 906 CG1 ILE B 11 16.228 7.536 -1.435 1.00 0.00 C < ATOM 907 CG2 ILE B 11 15.392 5.479 -2.601 1.00 0.00 C < ATOM 908 CD1 ILE B 11 17.568 7.549 -2.134 1.00 0.00 C < ATOM 909 H ILE B 11 14.214 9.380 -2.340 1.00 0.00 H < ATOM 910 HA ILE B 11 15.827 7.756 -4.131 1.00 0.00 H < ATOM 911 HB ILE B 11 14.193 6.995 -1.670 1.00 0.00 H < ATOM 912 1HG1 ILE B 11 15.939 8.556 -1.185 1.00 0.00 H < ATOM 913 2HG1 ILE B 11 16.303 6.946 -0.521 1.00 0.00 H < ATOM 914 1HG2 ILE B 11 15.532 4.918 -1.677 1.00 0.00 H < ATOM 915 2HG2 ILE B 11 14.557 5.056 -3.159 1.00 0.00 H < ATOM 916 3HG2 ILE B 11 16.299 5.417 -3.204 1.00 0.00 H < ATOM 917 1HD1 ILE B 11 18.318 7.989 -1.477 1.00 0.00 H < ATOM 918 2HD1 ILE B 11 17.860 6.528 -2.384 1.00 0.00 H < ATOM 919 3HD1 ILE B 11 17.497 8.138 -3.048 1.00 0.00 H < ATOM 920 N HIS B 12 12.568 7.204 -4.164 1.00 0.00 N < ATOM 921 CA HIS B 12 11.528 6.625 -5.010 1.00 0.00 C < ATOM 922 C HIS B 12 11.683 7.078 -6.443 1.00 0.00 C < ATOM 923 O HIS B 12 11.618 6.253 -7.372 1.00 0.00 O < ATOM 924 CB HIS B 12 10.132 6.995 -4.499 1.00 0.00 C < ATOM 925 CG HIS B 12 9.067 6.908 -5.545 1.00 0.00 C < ATOM 926 ND1 HIS B 12 8.652 8.000 -6.281 1.00 0.00 N < ATOM 927 CD2 HIS B 12 8.330 5.860 -5.982 1.00 0.00 C < ATOM 928 CE1 HIS B 12 7.705 7.627 -7.122 1.00 0.00 C < ATOM 929 NE2 HIS B 12 7.491 6.332 -6.961 1.00 0.00 N < ATOM 930 H HIS B 12 12.299 7.736 -3.350 1.00 0.00 H < ATOM 931 HA HIS B 12 11.617 5.538 -5.014 1.00 0.00 H < ATOM 932 1HB HIS B 12 9.836 6.321 -3.695 1.00 0.00 H < ATOM 933 2HB HIS B 12 10.127 8.020 -4.132 1.00 0.00 H < ATOM 934 HD1 HIS B 12 9.051 8.917 -6.251 1.00 0.00 H < ATOM 935 HD2 HIS B 12 8.302 4.806 -5.704 1.00 0.00 H < ATOM 936 HE1 HIS B 12 7.244 8.350 -7.794 1.00 0.00 H < ATOM 937 N SER B 13 11.842 8.380 -6.665 1.00 0.00 N < ATOM 938 CA SER B 13 12.060 8.917 -8.016 1.00 0.00 C < ATOM 939 C SER B 13 13.324 8.352 -8.665 1.00 0.00 C < ATOM 940 O SER B 13 13.314 8.020 -9.851 1.00 0.00 O < ATOM 941 CB SER B 13 12.135 10.430 -7.965 1.00 0.00 C < ATOM 942 OG SER B 13 10.910 11.007 -7.604 1.00 0.00 O < ATOM 943 H SER B 13 11.811 9.016 -5.882 1.00 0.00 H < ATOM 944 HA SER B 13 11.213 8.762 -8.685 1.00 0.00 H < ATOM 945 1HB SER B 13 12.891 10.716 -7.234 1.00 0.00 H < ATOM 946 2HB SER B 13 12.424 10.799 -8.948 1.00 0.00 H < ATOM 947 HG SER B 13 10.263 10.313 -7.452 1.00 0.00 H < ATOM 948 N PHE B 14 14.408 8.235 -7.900 1.00 0.00 N < ATOM 949 CA PHE B 14 15.655 7.657 -8.427 1.00 0.00 C < ATOM 950 C PHE B 14 15.468 6.200 -8.880 1.00 0.00 C < ATOM 951 O PHE B 14 16.046 5.783 -9.883 1.00 0.00 O < ATOM 952 CB PHE B 14 16.762 7.738 -7.375 1.00 0.00 C < ATOM 953 CG PHE B 14 17.186 9.142 -7.049 1.00 0.00 C < ATOM 954 CD1 PHE B 14 16.871 10.192 -7.898 1.00 0.00 C < ATOM 955 CD2 PHE B 14 17.903 9.415 -5.894 1.00 0.00 C < ATOM 956 CE1 PHE B 14 17.261 11.484 -7.600 1.00 0.00 C < ATOM 957 CE2 PHE B 14 18.294 10.705 -5.592 1.00 0.00 C < ATOM 958 CZ PHE B 14 17.973 11.741 -6.447 1.00 0.00 C < ATOM 959 H PHE B 14 14.378 8.548 -6.941 1.00 0.00 H < ATOM 960 HA PHE B 14 15.973 8.208 -9.314 1.00 0.00 H < ATOM 961 1HB PHE B 14 16.426 7.289 -6.441 1.00 0.00 H < ATOM 962 2HB PHE B 14 17.652 7.217 -7.726 1.00 0.00 H < ATOM 963 HD1 PHE B 14 16.308 9.988 -8.810 1.00 0.00 H < ATOM 964 HD2 PHE B 14 18.158 8.596 -5.219 1.00 0.00 H < ATOM 965 HE1 PHE B 14 17.006 12.299 -8.276 1.00 0.00 H < ATOM 966 HE2 PHE B 14 18.856 10.906 -4.680 1.00 0.00 H < ATOM 967 HZ PHE B 14 18.283 12.758 -6.211 1.00 0.00 H < ATOM 968 N ILE B 15 14.686 5.419 -8.137 1.00 0.00 N < ATOM 969 CA ILE B 15 14.413 4.027 -8.517 1.00 0.00 C < ATOM 970 C ILE B 15 13.720 3.962 -9.893 1.00 0.00 C < ATOM 971 O ILE B 15 14.088 3.142 -10.739 1.00 0.00 O < ATOM 972 CB ILE B 15 13.536 3.330 -7.461 1.00 0.00 C < ATOM 973 CG1 ILE B 15 14.322 3.128 -6.163 1.00 0.00 C < ATOM 974 CG2 ILE B 15 13.023 1.999 -7.989 1.00 0.00 C < ATOM 975 CD1 ILE B 15 13.464 2.726 -4.985 1.00 0.00 C < ATOM 976 H ILE B 15 14.271 5.789 -7.295 1.00 0.00 H < ATOM 977 HA ILE B 15 15.343 3.474 -8.645 1.00 0.00 H < ATOM 978 HB ILE B 15 12.685 3.965 -7.218 1.00 0.00 H < ATOM 979 1HG1 ILE B 15 15.079 2.359 -6.312 1.00 0.00 H < ATOM 980 2HG1 ILE B 15 14.842 4.051 -5.905 1.00 0.00 H < ATOM 981 1HG2 ILE B 15 12.406 1.519 -7.229 1.00 0.00 H < ATOM 982 2HG2 ILE B 15 12.429 2.168 -8.886 1.00 0.00 H < ATOM 983 3HG2 ILE B 15 13.868 1.353 -8.230 1.00 0.00 H < ATOM 984 1HD1 ILE B 15 14.092 2.602 -4.103 1.00 0.00 H < ATOM 985 2HD1 ILE B 15 12.720 3.501 -4.795 1.00 0.00 H < ATOM 986 3HD1 ILE B 15 12.961 1.786 -5.206 1.00 0.00 H < ATOM 987 N HIS B 16 12.707 4.840 -10.133 1.00 0.00 N < ATOM 988 CA HIS B 16 12.029 4.867 -11.425 1.00 0.00 C < ATOM 989 C HIS B 16 13.010 5.127 -12.544 1.00 0.00 C < ATOM 990 O HIS B 16 12.909 4.526 -13.618 1.00 0.00 O < ATOM 991 CB HIS B 16 10.925 5.929 -11.438 1.00 0.00 C < ATOM 992 CG HIS B 16 9.599 5.424 -10.960 1.00 0.00 C < ATOM 993 ND1 HIS B 16 8.912 4.415 -11.601 1.00 0.00 N < ATOM 994 CD2 HIS B 16 8.833 5.791 -9.905 1.00 0.00 C < ATOM 995 CE1 HIS B 16 7.782 4.180 -10.960 1.00 0.00 C < ATOM 996 NE2 HIS B 16 7.709 5.002 -9.927 1.00 0.00 N < ATOM 997 H HIS B 16 12.416 5.484 -9.412 1.00 0.00 H < ATOM 998 HA HIS B 16 11.575 3.895 -11.624 1.00 0.00 H < ATOM 999 1HB HIS B 16 11.196 6.761 -10.786 1.00 0.00 H < ATOM 1000 2HB HIS B 16 10.772 6.298 -12.452 1.00 0.00 H < ATOM 1001 HD1 HIS B 16 9.242 3.875 -12.377 1.00 0.00 H < ATOM 1002 HD2 HIS B 16 8.959 6.538 -9.123 1.00 0.00 H < ATOM 1003 HE1 HIS B 16 7.094 3.412 -11.310 1.00 0.00 H < ATOM 1004 N GLN B 17 13.929 6.055 -12.322 1.00 0.00 N < ATOM 1005 CA GLN B 17 14.960 6.345 -13.312 1.00 0.00 C < ATOM 1006 C GLN B 17 15.904 5.156 -13.522 1.00 0.00 C < ATOM 1007 O GLN B 17 16.217 4.801 -14.671 1.00 0.00 O < ATOM 1008 CB GLN B 17 15.766 7.576 -12.888 1.00 0.00 C < ATOM 1009 CG GLN B 17 14.993 8.881 -12.957 1.00 0.00 C < ATOM 1010 CD GLN B 17 15.781 10.051 -12.397 1.00 0.00 C < ATOM 1011 OE1 GLN B 17 16.878 9.879 -11.859 1.00 0.00 O < ATOM 1012 NE2 GLN B 17 15.223 11.250 -12.518 1.00 0.00 N < ATOM 1013 H GLN B 17 13.921 6.571 -11.453 1.00 0.00 H < ATOM 1014 HA GLN B 17 14.495 6.532 -14.279 1.00 0.00 H < ATOM 1015 1HB GLN B 17 16.099 7.397 -11.866 1.00 0.00 H < ATOM 1016 2HB GLN B 17 16.633 7.626 -13.548 1.00 0.00 H < ATOM 1017 1HG GLN B 17 14.487 9.219 -13.861 1.00 0.00 H < ATOM 1018 2HG GLN B 17 14.250 8.579 -12.218 1.00 0.00 H < ATOM 1019 1HE2 GLN B 17 15.696 12.059 -12.167 1.00 0.00 H < ATOM 1020 2HE2 GLN B 17 14.332 11.345 -12.959 1.00 0.00 H < ATOM 1021 N ALA B 18 16.355 4.543 -12.424 1.00 0.00 N < ATOM 1022 CA ALA B 18 17.231 3.365 -12.488 1.00 0.00 C < ATOM 1023 C ALA B 18 16.564 2.196 -13.219 1.00 0.00 C < ATOM 1024 O ALA B 18 17.213 1.472 -13.985 1.00 0.00 O < ATOM 1025 CB ALA B 18 17.649 2.943 -11.087 1.00 0.00 C < ATOM 1026 H ALA B 18 16.082 4.904 -11.522 1.00 0.00 H < ATOM 1027 HA ALA B 18 18.125 3.624 -13.055 1.00 0.00 H < ATOM 1028 1HB ALA B 18 18.298 2.069 -11.149 1.00 0.00 H < ATOM 1029 2HB ALA B 18 18.186 3.759 -10.605 1.00 0.00 H < ATOM 1030 3HB ALA B 18 16.764 2.695 -10.503 1.00 0.00 H < ATOM 1031 N LYS B 19 15.267 2.003 -12.989 1.00 0.00 N < ATOM 1032 CA LYS B 19 14.526 0.947 -13.679 1.00 0.00 C < ATOM 1033 C LYS B 19 14.459 1.237 -15.187 1.00 0.00 C < ATOM 1034 O LYS B 19 14.731 0.347 -16.000 1.00 0.00 O < ATOM 1035 CB LYS B 19 13.116 0.810 -13.100 1.00 0.00 C < ATOM 1036 CG LYS B 19 13.063 0.145 -11.730 1.00 0.00 C < ATOM 1037 CD LYS B 19 11.641 0.110 -11.188 1.00 0.00 C < ATOM 1038 CE LYS B 19 10.755 -0.811 -12.015 1.00 0.00 C < ATOM 1039 NZ LYS B 19 9.380 -0.912 -11.453 1.00 0.00 N < ATOM 1040 H LYS B 19 14.782 2.592 -12.327 1.00 0.00 H < ATOM 1041 HA LYS B 19 15.043 -0.006 -13.560 1.00 0.00 H < ATOM 1042 1HB LYS B 19 12.700 1.815 -13.032 1.00 0.00 H < ATOM 1043 2HB LYS B 19 12.534 0.223 -13.811 1.00 0.00 H < ATOM 1044 1HG LYS B 19 13.442 -0.874 -11.824 1.00 0.00 H < ATOM 1045 2HG LYS B 19 13.699 0.706 -11.047 1.00 0.00 H < ATOM 1046 1HD LYS B 19 11.671 -0.243 -10.157 1.00 0.00 H < ATOM 1047 2HD LYS B 19 11.235 1.121 -11.214 1.00 0.00 H < ATOM 1048 1HE LYS B 19 10.706 -0.419 -13.029 1.00 0.00 H < ATOM 1049 2HE LYS B 19 11.214 -1.801 -12.031 1.00 0.00 H < ATOM 1050 1HZ LYS B 19 8.827 -1.531 -12.028 1.00 0.00 H < ATOM 1051 2HZ LYS B 19 9.427 -1.277 -10.512 1.00 0.00 H < ATOM 1052 3HZ LYS B 19 8.956 0.004 -11.438 1.00 0.00 H < ATOM 1053 N ALA B 20 14.121 2.474 -15.550 1.00 0.00 N < ATOM 1054 CA ALA B 20 14.057 2.889 -16.960 1.00 0.00 C < ATOM 1055 C ALA B 20 15.390 2.709 -17.691 1.00 0.00 C < ATOM 1056 O ALA B 20 15.405 2.359 -18.878 1.00 0.00 O < ATOM 1057 CB ALA B 20 13.601 4.336 -17.057 1.00 0.00 C < ATOM 1058 H ALA B 20 13.903 3.147 -14.829 1.00 0.00 H < ATOM 1059 HA ALA B 20 13.335 2.257 -17.477 1.00 0.00 H < ATOM 1060 1HB ALA B 20 13.556 4.633 -18.104 1.00 0.00 H < ATOM 1061 2HB ALA B 20 12.612 4.437 -16.610 1.00 0.00 H < ATOM 1062 3HB ALA B 20 14.306 4.975 -16.529 1.00 0.00 H < ATOM 1063 N ALA B 21 16.494 2.951 -16.982 1.00 0.00 N < ATOM 1064 CA ALA B 21 17.847 2.791 -17.531 1.00 0.00 C < ATOM 1065 C ALA B 21 18.353 1.344 -17.478 1.00 0.00 C < ATOM 1066 O ALA B 21 19.451 1.057 -17.957 1.00 0.00 O < ATOM 1067 CB ALA B 21 18.814 3.708 -16.796 1.00 0.00 C < ATOM 1068 H ALA B 21 16.385 3.256 -16.025 1.00 0.00 H < ATOM 1069 HA ALA B 21 17.831 3.067 -18.585 1.00 0.00 H < ATOM 1070 1HB ALA B 21 19.816 3.584 -17.208 1.00 0.00 H < ATOM 1071 2HB ALA B 21 18.498 4.744 -16.917 1.00 0.00 H < ATOM 1072 3HB ALA B 21 18.824 3.453 -15.738 1.00 0.00 H < ATOM 1073 N GLY B 22 17.570 0.435 -16.903 1.00 0.00 N < ATOM 1074 CA GLY B 22 17.984 -0.961 -16.752 1.00 0.00 C < ATOM 1075 C GLY B 22 19.113 -1.182 -15.758 1.00 0.00 C < ATOM 1076 O GLY B 22 19.859 -2.151 -15.880 1.00 0.00 O < ATOM 1077 H GLY B 22 16.663 0.719 -16.561 1.00 0.00 H < ATOM 1078 1HA GLY B 22 17.133 -1.552 -16.411 1.00 0.00 H < ATOM 1079 2HA GLY B 22 18.323 -1.339 -17.716 1.00 0.00 H < ATOM 1080 N ARG B 23 19.228 -0.294 -14.771 1.00 0.00 N < ATOM 1081 CA ARG B 23 20.322 -0.350 -13.791 1.00 0.00 C < ATOM 1082 C ARG B 23 19.878 -1.102 -12.530 1.00 0.00 C < ATOM 1083 O ARG B 23 19.594 -0.480 -11.498 1.00 0.00 O < ATOM 1084 CB ARG B 23 20.871 1.029 -13.456 1.00 0.00 C < ATOM 1085 CG ARG B 23 21.446 1.792 -14.640 1.00 0.00 C < ATOM 1086 CD ARG B 23 21.787 3.209 -14.348 1.00 0.00 C < ATOM 1087 NE ARG B 23 22.942 3.384 -13.482 1.00 0.00 N < ATOM 1088 CZ ARG B 23 23.281 4.544 -12.886 1.00 0.00 C < ATOM 1089 NH1 ARG B 23 22.584 5.639 -13.088 1.00 0.00 N < ATOM 1090 NH2 ARG B 23 24.353 4.556 -12.110 1.00 0.00 N < ATOM 1091 H ARG B 23 18.538 0.439 -14.697 1.00 0.00 H < ATOM 1092 HA ARG B 23 21.165 -0.901 -14.210 1.00 0.00 H < ATOM 1093 1HB ARG B 23 20.052 1.601 -13.023 1.00 0.00 H < ATOM 1094 2HB ARG B 23 21.651 0.887 -12.708 1.00 0.00 H < ATOM 1095 1HG ARG B 23 22.356 1.289 -14.969 1.00 0.00 H < ATOM 1096 2HG ARG B 23 20.714 1.781 -15.448 1.00 0.00 H < ATOM 1097 1HD ARG B 23 22.000 3.722 -15.284 1.00 0.00 H < ATOM 1098 2HD ARG B 23 20.937 3.682 -13.859 1.00 0.00 H < ATOM 1099 HE ARG B 23 23.641 2.711 -13.197 1.00 0.00 H < ATOM 1100 1HH1 ARG B 23 21.780 5.616 -13.698 1.00 0.00 H < ATOM 1101 2HH1 ARG B 23 22.857 6.498 -12.632 1.00 0.00 H < ATOM 1102 1HH2 ARG B 23 24.889 3.708 -11.980 1.00 0.00 H < ATOM 1103 2HH2 ARG B 23 24.631 5.411 -11.651 1.00 0.00 H < ATOM 1104 N MET B 24 19.839 -2.431 -12.616 1.00 0.00 N < ATOM 1105 CA MET B 24 19.337 -3.279 -11.527 1.00 0.00 C < ATOM 1106 C MET B 24 20.140 -3.174 -10.222 1.00 0.00 C < ATOM 1107 O MET B 24 19.562 -3.280 -9.136 1.00 0.00 O < ATOM 1108 CB MET B 24 19.309 -4.733 -11.993 1.00 0.00 C < ATOM 1109 CG MET B 24 18.248 -5.039 -13.041 1.00 0.00 C < ATOM 1110 SD MET B 24 16.573 -4.734 -12.445 1.00 0.00 S < ATOM 1111 CE MET B 24 16.413 -6.022 -11.212 1.00 0.00 C < ATOM 1112 H MET B 24 20.169 -2.867 -13.467 1.00 0.00 H < ATOM 1113 HA MET B 24 18.328 -2.973 -11.252 1.00 0.00 H < ATOM 1114 1HB MET B 24 20.295 -4.956 -12.398 1.00 0.00 H < ATOM 1115 2HB MET B 24 19.131 -5.347 -11.109 1.00 0.00 H < ATOM 1116 1HG MET B 24 18.439 -4.411 -13.910 1.00 0.00 H < ATOM 1117 2HG MET B 24 18.342 -6.088 -13.323 1.00 0.00 H < ATOM 1118 1HE MET B 24 15.427 -5.965 -10.751 1.00 0.00 H < ATOM 1119 2HE MET B 24 16.538 -6.997 -11.685 1.00 0.00 H < ATOM 1120 3HE MET B 24 17.179 -5.891 -10.446 1.00 0.00 H < ATOM 1121 N ASP B 25 21.455 -2.980 -10.317 1.00 0.00 N < ATOM 1122 CA ASP B 25 22.269 -2.820 -9.112 1.00 0.00 C < ATOM 1123 C ASP B 25 21.840 -1.575 -8.338 1.00 0.00 C < ATOM 1124 O ASP B 25 21.767 -1.595 -7.103 1.00 0.00 O < ATOM 1125 CB ASP B 25 23.755 -2.737 -9.469 1.00 0.00 C < ATOM 1126 CG ASP B 25 24.368 -4.054 -9.924 1.00 0.00 C < ATOM 1127 OD1 ASP B 25 23.742 -5.072 -9.744 1.00 0.00 O < ATOM 1128 OD2 ASP B 25 25.378 -4.019 -10.586 1.00 0.00 O < ATOM 1129 H ASP B 25 21.903 -2.942 -11.221 1.00 0.00 H < ATOM 1130 HA ASP B 25 22.120 -3.674 -8.450 1.00 0.00 H < ATOM 1131 1HB ASP B 25 23.984 -1.960 -10.199 1.00 0.00 H < ATOM 1132 2HB ASP B 25 24.170 -2.460 -8.500 1.00 0.00 H < ATOM 1133 N GLU B 26 21.542 -0.505 -9.076 1.00 0.00 N < ATOM 1134 CA GLU B 26 21.077 0.764 -8.496 1.00 0.00 C < ATOM 1135 C GLU B 26 19.651 0.642 -7.965 1.00 0.00 C < ATOM 1136 O GLU B 26 19.315 1.199 -6.918 1.00 0.00 O < ATOM 1137 CB GLU B 26 21.154 1.890 -9.530 1.00 0.00 C < ATOM 1138 CG GLU B 26 22.570 2.319 -9.887 1.00 0.00 C < ATOM 1139 CD GLU B 26 23.301 2.847 -8.684 1.00 0.00 C < ATOM 1140 OE1 GLU B 26 22.785 3.729 -8.039 1.00 0.00 O < ATOM 1141 OE2 GLU B 26 24.320 2.294 -8.342 1.00 0.00 O < ATOM 1142 H GLU B 26 21.643 -0.582 -10.078 1.00 0.00 H < ATOM 1143 HA GLU B 26 21.703 1.032 -7.644 1.00 0.00 H < ATOM 1144 1HB GLU B 26 20.647 1.534 -10.427 1.00 0.00 H < ATOM 1145 2HB GLU B 26 20.611 2.739 -9.117 1.00 0.00 H < ATOM 1146 1HG GLU B 26 23.159 1.527 -10.351 1.00 0.00 H < ATOM 1147 2HG GLU B 26 22.420 3.125 -10.603 1.00 0.00 H < ATOM 1148 N VAL B 27 18.802 -0.074 -8.695 1.00 0.00 N < ATOM 1149 CA VAL B 27 17.436 -0.312 -8.227 1.00 0.00 C < ATOM 1150 C VAL B 27 17.431 -1.078 -6.896 1.00 0.00 C < ATOM 1151 O VAL B 27 16.690 -0.708 -5.989 1.00 0.00 O < ATOM 1152 CB VAL B 27 16.613 -1.096 -9.265 1.00 0.00 C < ATOM 1153 CG1 VAL B 27 15.323 -1.610 -8.645 1.00 0.00 C < ATOM 1154 CG2 VAL B 27 16.311 -0.225 -10.475 1.00 0.00 C < ATOM 1155 H VAL B 27 19.093 -0.463 -9.581 1.00 0.00 H < ATOM 1156 HA VAL B 27 16.923 0.625 -8.010 1.00 0.00 H < ATOM 1157 HB VAL B 27 17.205 -1.940 -9.622 1.00 0.00 H < ATOM 1158 1HG1 VAL B 27 14.754 -2.163 -9.394 1.00 0.00 H < ATOM 1159 2HG1 VAL B 27 15.558 -2.271 -7.810 1.00 0.00 H < ATOM 1160 3HG1 VAL B 27 14.731 -0.768 -8.288 1.00 0.00 H < ATOM 1161 1HG2 VAL B 27 15.730 -0.795 -11.199 1.00 0.00 H < ATOM 1162 2HG2 VAL B 27 15.742 0.650 -10.159 1.00 0.00 H < ATOM 1163 3HG2 VAL B 27 17.246 0.097 -10.934 1.00 0.00 H < ATOM 1164 N ARG B 28 18.244 -2.131 -6.767 1.00 0.00 N < ATOM 1165 CA ARG B 28 18.300 -2.889 -5.502 1.00 0.00 C < ATOM 1166 C ARG B 28 18.852 -2.086 -4.324 1.00 0.00 C < ATOM 1167 O ARG B 28 18.283 -2.134 -3.231 1.00 0.00 O < ATOM 1168 CB ARG B 28 19.068 -4.192 -5.665 1.00 0.00 C < ATOM 1169 CG ARG B 28 18.359 -5.252 -6.495 1.00 0.00 C < ATOM 1170 CD ARG B 28 19.161 -6.479 -6.733 1.00 0.00 C < ATOM 1171 NE ARG B 28 18.482 -7.500 -7.515 1.00 0.00 N < ATOM 1172 CZ ARG B 28 19.050 -8.647 -7.934 1.00 0.00 C < ATOM 1173 NH1 ARG B 28 20.315 -8.908 -7.684 1.00 0.00 N < ATOM 1174 NH2 ARG B 28 18.309 -9.496 -8.626 1.00 0.00 N < ATOM 1175 H ARG B 28 18.829 -2.417 -7.539 1.00 0.00 H < ATOM 1176 HA ARG B 28 17.292 -3.177 -5.199 1.00 0.00 H < ATOM 1177 1HB ARG B 28 20.019 -3.945 -6.134 1.00 0.00 H < ATOM 1178 2HB ARG B 28 19.248 -4.583 -4.663 1.00 0.00 H < ATOM 1179 1HG ARG B 28 17.445 -5.544 -5.979 1.00 0.00 H < ATOM 1180 2HG ARG B 28 18.108 -4.821 -7.465 1.00 0.00 H < ATOM 1181 1HD ARG B 28 20.071 -6.210 -7.269 1.00 0.00 H < ATOM 1182 2HD ARG B 28 19.423 -6.923 -5.773 1.00 0.00 H < ATOM 1183 HE ARG B 28 17.530 -7.525 -7.856 1.00 0.00 H < ATOM 1184 1HH1 ARG B 28 20.873 -8.241 -7.169 1.00 0.00 H < ATOM 1185 2HH1 ARG B 28 20.722 -9.774 -8.007 1.00 0.00 H < ATOM 1186 1HH2 ARG B 28 17.344 -9.273 -8.825 1.00 0.00 H < ATOM 1187 2HH2 ARG B 28 18.712 -10.363 -8.952 1.00 0.00 H < ATOM 1188 N THR B 29 19.941 -1.346 -4.523 1.00 0.00 N < ATOM 1189 CA THR B 29 20.466 -0.524 -3.431 1.00 0.00 C < ATOM 1190 C THR B 29 19.460 0.559 -3.030 1.00 0.00 C < ATOM 1191 O THR B 29 19.214 0.745 -1.834 1.00 0.00 O < ATOM 1192 CB THR B 29 21.800 0.141 -3.814 1.00 0.00 C < ATOM 1193 OG1 THR B 29 22.783 -0.868 -4.077 1.00 0.00 O < ATOM 1194 CG2 THR B 29 22.291 1.041 -2.690 1.00 0.00 C < ATOM 1195 H THR B 29 20.415 -1.339 -5.415 1.00 0.00 H < ATOM 1196 HA THR B 29 20.626 -1.143 -2.547 1.00 0.00 H < ATOM 1197 HB THR B 29 21.654 0.736 -4.716 1.00 0.00 H < ATOM 1198 HG1 THR B 29 22.389 -1.736 -3.960 1.00 0.00 H < ATOM 1199 1HG2 THR B 29 23.235 1.502 -2.980 1.00 0.00 H < ATOM 1200 2HG2 THR B 29 21.550 1.817 -2.496 1.00 0.00 H < ATOM 1201 3HG2 THR B 29 22.438 0.447 -1.788 1.00 0.00 H < ATOM 1202 N LEU B 30 18.879 1.257 -4.013 1.00 0.00 N < ATOM 1203 CA LEU B 30 17.884 2.307 -3.722 1.00 0.00 C < ATOM 1204 C LEU B 30 16.606 1.742 -3.078 1.00 0.00 C < ATOM 1205 O LEU B 30 16.019 2.384 -2.203 1.00 0.00 O < ATOM 1206 CB LEU B 30 17.533 3.065 -5.008 1.00 0.00 C < ATOM 1207 CG LEU B 30 18.671 3.905 -5.602 1.00 0.00 C < ATOM 1208 CD1 LEU B 30 18.273 4.425 -6.977 1.00 0.00 C < ATOM 1209 CD2 LEU B 30 18.997 5.057 -4.664 1.00 0.00 C < ATOM 1210 H LEU B 30 19.123 1.063 -4.974 1.00 0.00 H < ATOM 1211 HA LEU B 30 18.295 3.008 -2.995 1.00 0.00 H < ATOM 1212 1HB LEU B 30 17.314 2.219 -5.657 1.00 0.00 H < ATOM 1213 2HB LEU B 30 16.636 3.672 -4.887 1.00 0.00 H < ATOM 1214 HG LEU B 30 19.550 3.263 -5.660 1.00 0.00 H < ATOM 1215 1HD1 LEU B 30 19.088 5.019 -7.391 1.00 0.00 H < ATOM 1216 2HD1 LEU B 30 18.068 3.582 -7.638 1.00 0.00 H < ATOM 1217 3HD1 LEU B 30 17.382 5.043 -6.887 1.00 0.00 H < ATOM 1218 1HD2 LEU B 30 19.806 5.653 -5.087 1.00 0.00 H < ATOM 1219 2HD2 LEU B 30 18.113 5.683 -4.535 1.00 0.00 H < ATOM 1220 3HD2 LEU B 30 19.305 4.662 -3.695 1.00 0.00 H < ATOM 1221 N GLN B 31 16.156 0.569 -3.519 1.00 0.00 N < ATOM 1222 CA GLN B 31 14.955 -0.029 -2.925 1.00 0.00 C < ATOM 1223 C GLN B 31 15.148 -0.327 -1.436 1.00 0.00 C < ATOM 1224 O GLN B 31 14.240 -0.087 -0.636 1.00 0.00 O < ATOM 1225 CB GLN B 31 14.578 -1.315 -3.666 1.00 0.00 C < ATOM 1226 CG GLN B 31 13.265 -1.931 -3.214 1.00 0.00 C < ATOM 1227 CD GLN B 31 12.072 -1.051 -3.534 1.00 0.00 C < ATOM 1228 OE1 GLN B 31 11.880 -0.634 -4.679 1.00 0.00 O < ATOM 1229 NE2 GLN B 31 11.262 -0.763 -2.521 1.00 0.00 N < ATOM 1230 H GLN B 31 16.633 0.079 -4.263 1.00 0.00 H < ATOM 1231 HA GLN B 31 14.126 0.675 -2.989 1.00 0.00 H < ATOM 1232 1HB GLN B 31 14.504 -1.111 -4.734 1.00 0.00 H < ATOM 1233 2HB GLN B 31 15.363 -2.058 -3.528 1.00 0.00 H < ATOM 1234 1HG GLN B 31 13.131 -2.887 -3.721 1.00 0.00 H < ATOM 1235 2HG GLN B 31 13.299 -2.082 -2.135 1.00 0.00 H < ATOM 1236 1HE2 GLN B 31 10.458 -0.186 -2.672 1.00 0.00 H < ATOM 1237 2HE2 GLN B 31 11.455 -1.122 -1.608 1.00 0.00 H < ATOM 1238 N GLU B 32 16.325 -0.822 -1.057 1.00 0.00 N < ATOM 1239 CA GLU B 32 16.667 -0.999 0.354 1.00 0.00 C < ATOM 1240 C GLU B 32 16.728 0.347 1.097 1.00 0.00 C < ATOM 1241 O GLU B 32 16.224 0.455 2.216 1.00 0.00 O < ATOM 1242 CB GLU B 32 18.002 -1.735 0.487 1.00 0.00 C < ATOM 1243 CG GLU B 32 17.960 -3.196 0.063 1.00 0.00 C < ATOM 1244 CD GLU B 32 19.323 -3.825 0.133 1.00 0.00 C < ATOM 1245 OE1 GLU B 32 20.264 -3.128 0.431 1.00 0.00 O < ATOM 1246 OE2 GLU B 32 19.410 -5.023 -0.001 1.00 0.00 O < ATOM 1247 H GLU B 32 17.000 -1.082 -1.763 1.00 0.00 H < ATOM 1248 HA GLU B 32 15.893 -1.585 0.851 1.00 0.00 H < ATOM 1249 1HB GLU B 32 18.723 -1.200 -0.130 1.00 0.00 H < ATOM 1250 2HB GLU B 32 18.300 -1.670 1.533 1.00 0.00 H < ATOM 1251 1HG GLU B 32 17.256 -3.795 0.640 1.00 0.00 H < ATOM 1252 2HG GLU B 32 17.633 -3.153 -0.975 1.00 0.00 H < ATOM 1253 N ASN B 33 17.307 1.373 0.475 1.00 0.00 N < ATOM 1254 CA ASN B 33 17.368 2.704 1.088 1.00 0.00 C < ATOM 1255 C ASN B 33 15.974 3.277 1.331 1.00 0.00 C < ATOM 1256 O ASN B 33 15.717 3.890 2.370 1.00 0.00 O < ATOM 1257 CB ASN B 33 18.185 3.666 0.246 1.00 0.00 C < ATOM 1258 CG ASN B 33 19.663 3.389 0.273 1.00 0.00 C < ATOM 1259 OD1 ASN B 33 20.172 2.712 1.175 1.00 0.00 O < ATOM 1260 ND2 ASN B 33 20.365 3.976 -0.662 1.00 0.00 N < ATOM 1261 H ASN B 33 17.713 1.234 -0.440 1.00 0.00 H < ATOM 1262 HA ASN B 33 17.846 2.637 2.067 1.00 0.00 H < ATOM 1263 1HB ASN B 33 17.885 3.906 -0.775 1.00 0.00 H < ATOM 1264 2HB ASN B 33 17.975 4.514 0.896 1.00 0.00 H < ATOM 1265 1HD2 ASN B 33 21.355 3.836 -0.704 1.00 0.00 H < ATOM 1266 2HD2 ASN B 33 19.913 4.563 -1.332 1.00 0.00 H < ATOM 1267 N LEU B 34 15.093 3.089 0.349 1.00 0.00 N < ATOM 1268 CA LEU B 34 13.715 3.598 0.411 1.00 0.00 C < ATOM 1269 C LEU B 34 12.950 2.999 1.589 1.00 0.00 C < ATOM 1270 O LEU B 34 12.317 3.731 2.351 1.00 0.00 O < ATOM 1271 CB LEU B 34 12.973 3.284 -0.895 1.00 0.00 C < ATOM 1272 CG LEU B 34 11.512 3.747 -0.957 1.00 0.00 C < ATOM 1273 CD1 LEU B 34 11.454 5.264 -0.843 1.00 0.00 C < ATOM 1274 CD2 LEU B 34 10.885 3.272 -2.259 1.00 0.00 C < ATOM 1275 H LEU B 34 15.391 2.574 -0.467 1.00 0.00 H < ATOM 1276 HA LEU B 34 13.731 4.675 0.572 1.00 0.00 H < ATOM 1277 1HB LEU B 34 13.506 3.757 -1.719 1.00 0.00 H < ATOM 1278 2HB LEU B 34 12.987 2.206 -1.051 1.00 0.00 H < ATOM 1279 HG LEU B 34 10.961 3.328 -0.115 1.00 0.00 H < ATOM 1280 1HD1 LEU B 34 10.416 5.593 -0.888 1.00 0.00 H < ATOM 1281 2HD1 LEU B 34 11.892 5.575 0.106 1.00 0.00 H < ATOM 1282 3HD1 LEU B 34 12.012 5.713 -1.665 1.00 0.00 H < ATOM 1283 1HD2 LEU B 34 9.846 3.600 -2.304 1.00 0.00 H < ATOM 1284 2HD2 LEU B 34 11.434 3.692 -3.102 1.00 0.00 H < ATOM 1285 3HD2 LEU B 34 10.924 2.184 -2.307 1.00 0.00 H < ATOM 1286 N HIS B 35 13.003 1.645 1.748 1.00 0.00 N < ATOM 1287 CA HIS B 35 12.293 0.973 2.832 1.00 0.00 C < ATOM 1288 C HIS B 35 12.823 1.409 4.177 1.00 0.00 C < ATOM 1289 O HIS B 35 12.045 1.670 5.103 1.00 0.00 O < ATOM 1290 CB HIS B 35 12.403 -0.550 2.698 1.00 0.00 C < ATOM 1291 CG HIS B 35 11.198 -1.286 3.195 1.00 0.00 C < ATOM 1292 ND1 HIS B 35 10.843 -2.535 2.729 1.00 0.00 N < ATOM 1293 CD2 HIS B 35 10.264 -0.949 4.117 1.00 0.00 C < ATOM 1294 CE1 HIS B 35 9.745 -2.934 3.344 1.00 0.00 C < ATOM 1295 NE2 HIS B 35 9.374 -1.992 4.191 1.00 0.00 N < ATOM 1296 H HIS B 35 13.548 1.093 1.101 1.00 0.00 H < ATOM 1297 HA HIS B 35 11.237 1.244 2.806 1.00 0.00 H < ATOM 1298 1HB HIS B 35 12.526 -0.828 1.651 1.00 0.00 H < ATOM 1299 2HB HIS B 35 13.253 -0.916 3.273 1.00 0.00 H < ATOM 1300 HD1 HIS B 35 11.368 -3.097 2.091 1.00 0.00 H < ATOM 1301 HD2 HIS B 35 10.129 -0.070 4.746 1.00 0.00 H < ATOM 1302 HE1 HIS B 35 9.302 -3.904 3.114 1.00 0.00 H < ATOM 1303 N GLN B 36 14.142 1.448 4.314 1.00 0.00 N < ATOM 1304 CA GLN B 36 14.779 1.874 5.558 1.00 0.00 C < ATOM 1305 C GLN B 36 14.386 3.303 5.959 1.00 0.00 C < ATOM 1306 O GLN B 36 14.099 3.555 7.138 1.00 0.00 O < ATOM 1307 CB GLN B 36 16.301 1.772 5.429 1.00 0.00 C < ATOM 1308 CG GLN B 36 16.827 0.348 5.369 1.00 0.00 C < ATOM 1309 CD GLN B 36 18.325 0.294 5.138 1.00 0.00 C < ATOM 1310 OE1 GLN B 36 19.066 1.184 5.564 1.00 0.00 O < ATOM 1311 NE2 GLN B 36 18.780 -0.754 4.460 1.00 0.00 N < ATOM 1312 H GLN B 36 14.722 1.174 3.533 1.00 0.00 H < ATOM 1313 HA GLN B 36 14.445 1.236 6.376 1.00 0.00 H < ATOM 1314 1HB GLN B 36 16.625 2.289 4.526 1.00 0.00 H < ATOM 1315 2HB GLN B 36 16.772 2.269 6.277 1.00 0.00 H < ATOM 1316 1HG GLN B 36 16.608 -0.149 6.314 1.00 0.00 H < ATOM 1317 2HG GLN B 36 16.335 -0.175 4.550 1.00 0.00 H < ATOM 1318 1HE2 GLN B 36 19.760 -0.844 4.277 1.00 0.00 H < ATOM 1319 2HE2 GLN B 36 18.144 -1.453 4.133 1.00 0.00 H < ATOM 1320 N LEU B 37 14.344 4.232 4.996 1.00 0.00 N < ATOM 1321 CA LEU B 37 13.895 5.602 5.275 1.00 0.00 C < ATOM 1322 C LEU B 37 12.416 5.652 5.648 1.00 0.00 C < ATOM 1323 O LEU B 37 12.030 6.411 6.539 1.00 0.00 O < ATOM 1324 CB LEU B 37 14.163 6.501 4.062 1.00 0.00 C < ATOM 1325 CG LEU B 37 15.642 6.795 3.780 1.00 0.00 C < ATOM 1326 CD1 LEU B 37 15.785 7.523 2.450 1.00 0.00 C < ATOM 1327 CD2 LEU B 37 16.221 7.627 4.915 1.00 0.00 C < ATOM 1328 H LEU B 37 14.627 3.988 4.057 1.00 0.00 H < ATOM 1329 HA LEU B 37 14.436 5.995 6.134 1.00 0.00 H < ATOM 1330 1HB LEU B 37 13.751 5.867 3.277 1.00 0.00 H < ATOM 1331 2HB LEU B 37 13.594 7.429 4.114 1.00 0.00 H < ATOM 1332 HG LEU B 37 16.165 5.838 3.767 1.00 0.00 H < ATOM 1333 1HD1 LEU B 37 16.838 7.726 2.257 1.00 0.00 H < ATOM 1334 2HD1 LEU B 37 15.384 6.900 1.649 1.00 0.00 H < ATOM 1335 3HD1 LEU B 37 15.234 8.462 2.489 1.00 0.00 H < ATOM 1336 1HD2 LEU B 37 17.272 7.834 4.714 1.00 0.00 H < ATOM 1337 2HD2 LEU B 37 15.674 8.566 4.993 1.00 0.00 H < ATOM 1338 3HD2 LEU B 37 16.133 7.076 5.852 1.00 0.00 H < ATOM 1339 N GLN B 38 11.589 4.856 4.974 1.00 0.00 N < ATOM 1340 CA GLN B 38 10.152 4.886 5.228 1.00 0.00 C < ATOM 1341 C GLN B 38 9.837 4.478 6.667 1.00 0.00 C < ATOM 1342 O GLN B 38 8.994 5.107 7.307 1.00 0.00 O < ATOM 1343 CB GLN B 38 9.415 3.966 4.250 1.00 0.00 C < ATOM 1344 CG GLN B 38 7.902 4.074 4.315 1.00 0.00 C < ATOM 1345 CD GLN B 38 7.398 5.432 3.865 1.00 0.00 C < ATOM 1346 OE1 GLN B 38 7.717 5.896 2.767 1.00 0.00 O < ATOM 1347 NE2 GLN B 38 6.606 6.079 4.713 1.00 0.00 N < ATOM 1348 H GLN B 38 11.952 4.221 4.277 1.00 0.00 H < ATOM 1349 HA GLN B 38 9.781 5.903 5.106 1.00 0.00 H < ATOM 1350 1HB GLN B 38 9.726 4.196 3.231 1.00 0.00 H < ATOM 1351 2HB GLN B 38 9.688 2.930 4.450 1.00 0.00 H < ATOM 1352 1HG GLN B 38 7.466 3.315 3.665 1.00 0.00 H < ATOM 1353 2HG GLN B 38 7.580 3.914 5.344 1.00 0.00 H < ATOM 1354 1HE2 GLN B 38 6.243 6.980 4.471 1.00 0.00 H < ATOM 1355 2HE2 GLN B 38 6.372 5.667 5.593 1.00 0.00 H < ATOM 1356 N HIS B 39 10.522 3.434 7.202 1.00 0.00 N < ATOM 1357 CA HIS B 39 10.281 3.054 8.591 1.00 0.00 C < ATOM 1358 C HIS B 39 10.733 4.143 9.535 1.00 0.00 C < ATOM 1359 O HIS B 39 10.048 4.430 10.521 1.00 0.00 O < ATOM 1360 CB HIS B 39 10.996 1.739 8.927 1.00 0.00 C < ATOM 1361 CG HIS B 39 10.287 0.523 8.419 1.00 0.00 C < ATOM 1362 ND1 HIS B 39 10.360 -0.699 9.054 1.00 0.00 N < ATOM 1363 CD2 HIS B 39 9.495 0.340 7.336 1.00 0.00 C < ATOM 1364 CE1 HIS B 39 9.639 -1.582 8.384 1.00 0.00 C < ATOM 1365 NE2 HIS B 39 9.105 -0.977 7.339 1.00 0.00 N < ATOM 1366 H HIS B 39 11.196 2.913 6.658 1.00 0.00 H < ATOM 1367 HA HIS B 39 9.213 2.916 8.756 1.00 0.00 H < ATOM 1368 1HB HIS B 39 11.992 1.729 8.482 1.00 0.00 H < ATOM 1369 2HB HIS B 39 11.078 1.624 10.007 1.00 0.00 H < ATOM 1370 HD1 HIS B 39 10.807 -0.886 9.929 1.00 0.00 H < ATOM 1371 HD2 HIS B 39 9.153 1.009 6.546 1.00 0.00 H < ATOM 1372 HE1 HIS B 39 9.566 -2.614 8.729 1.00 0.00 H < ATOM 1373 N GLU B 40 11.902 4.724 9.281 1.00 0.00 N < ATOM 1374 CA GLU B 40 12.377 5.833 10.107 1.00 0.00 C < ATOM 1375 C GLU B 40 11.369 6.988 10.132 1.00 0.00 C < ATOM 1376 O GLU B 40 11.055 7.524 11.207 1.00 0.00 O < ATOM 1377 CB GLU B 40 13.733 6.330 9.600 1.00 0.00 C < ATOM 1378 CG GLU B 40 14.334 7.463 10.420 1.00 0.00 C < ATOM 1379 CD GLU B 40 15.680 7.869 9.887 1.00 0.00 C < ATOM 1380 OE1 GLU B 40 16.124 7.274 8.935 1.00 0.00 O < ATOM 1381 OE2 GLU B 40 16.214 8.844 10.360 1.00 0.00 O < ATOM 1382 H GLU B 40 12.473 4.404 8.512 1.00 0.00 H < ATOM 1383 HA GLU B 40 12.490 5.503 11.140 1.00 0.00 H < ATOM 1384 1HB GLU B 40 14.410 5.475 9.613 1.00 0.00 H < ATOM 1385 2HB GLU B 40 13.587 6.663 8.573 1.00 0.00 H < ATOM 1386 1HG GLU B 40 13.690 8.339 10.484 1.00 0.00 H < ATOM 1387 2HG GLU B 40 14.452 7.027 11.411 1.00 0.00 H < ATOM 1388 N TYR B 41 10.870 7.376 8.959 1.00 0.00 N < ATOM 1389 CA TYR B 41 9.843 8.424 8.864 1.00 0.00 C < ATOM 1390 C TYR B 41 8.585 8.032 9.648 1.00 0.00 C < ATOM 1391 O TYR B 41 8.094 8.815 10.473 1.00 0.00 O < ATOM 1392 CB TYR B 41 9.485 8.695 7.400 1.00 0.00 C < ATOM 1393 CG TYR B 41 8.345 9.672 7.219 1.00 0.00 C < ATOM 1394 CD1 TYR B 41 8.557 11.040 7.303 1.00 0.00 C < ATOM 1395 CD2 TYR B 41 7.058 9.222 6.963 1.00 0.00 C < ATOM 1396 CE1 TYR B 41 7.519 11.936 7.139 1.00 0.00 C < ATOM 1397 CE2 TYR B 41 6.012 10.109 6.796 1.00 0.00 C < ATOM 1398 CZ TYR B 41 6.247 11.467 6.885 1.00 0.00 C < ATOM 1399 OH TYR B 41 5.209 12.354 6.718 1.00 0.00 O < ATOM 1400 H TYR B 41 11.207 6.939 8.113 1.00 0.00 H < ATOM 1401 HA TYR B 41 10.214 9.347 9.307 1.00 0.00 H < ATOM 1402 1HB TYR B 41 10.381 9.088 6.917 1.00 0.00 H < ATOM 1403 2HB TYR B 41 9.220 7.738 6.950 1.00 0.00 H < ATOM 1404 HD1 TYR B 41 9.565 11.403 7.505 1.00 0.00 H < ATOM 1405 HD2 TYR B 41 6.879 8.149 6.895 1.00 0.00 H < ATOM 1406 HE1 TYR B 41 7.701 13.008 7.208 1.00 0.00 H < ATOM 1407 HE2 TYR B 41 5.008 9.735 6.594 1.00 0.00 H < ATOM 1408 HH TYR B 41 4.370 11.921 6.543 1.00 0.00 H < ATOM 1409 N ASP B 42 8.072 6.828 9.397 1.00 0.00 N < ATOM 1410 CA ASP B 42 6.854 6.350 10.063 1.00 0.00 C < ATOM 1411 C ASP B 42 6.987 6.390 11.589 1.00 0.00 C < ATOM 1412 O ASP B 42 6.071 6.846 12.281 1.00 0.00 O < ATOM 1413 CB ASP B 42 6.527 4.923 9.614 1.00 0.00 C < ATOM 1414 CG ASP B 42 6.071 4.848 8.163 1.00 0.00 C < ATOM 1415 OD1 ASP B 42 5.790 5.877 7.595 1.00 0.00 O < ATOM 1416 OD2 ASP B 42 6.007 3.763 7.637 1.00 0.00 O < ATOM 1417 H ASP B 42 8.536 6.228 8.730 1.00 0.00 H < ATOM 1418 HA ASP B 42 6.018 7.003 9.813 1.00 0.00 H < ATOM 1419 1HB ASP B 42 7.408 4.293 9.736 1.00 0.00 H < ATOM 1420 2HB ASP B 42 5.741 4.514 10.249 1.00 0.00 H < ATOM 1421 N GLN B 43 8.120 5.921 12.109 1.00 0.00 N < ATOM 1422 CA GLN B 43 8.354 5.921 13.558 1.00 0.00 C < ATOM 1423 C GLN B 43 8.374 7.343 14.134 1.00 0.00 C < ATOM 1424 O GLN B 43 7.862 7.574 15.236 1.00 0.00 O < ATOM 1425 CB GLN B 43 9.674 5.217 13.881 1.00 0.00 C < ATOM 1426 CG GLN B 43 9.634 3.708 13.707 1.00 0.00 C < ATOM 1427 CD GLN B 43 10.996 3.068 13.899 1.00 0.00 C < ATOM 1428 OE1 GLN B 43 12.004 3.758 14.073 1.00 0.00 O < ATOM 1429 NE2 GLN B 43 11.035 1.741 13.863 1.00 0.00 N < ATOM 1430 H GLN B 43 8.836 5.557 11.496 1.00 0.00 H < ATOM 1431 HA GLN B 43 7.536 5.403 14.059 1.00 0.00 H < ATOM 1432 1HB GLN B 43 10.429 5.645 13.222 1.00 0.00 H < ATOM 1433 2HB GLN B 43 9.915 5.460 14.916 1.00 0.00 H < ATOM 1434 1HG GLN B 43 8.895 3.076 14.199 1.00 0.00 H < ATOM 1435 2HG GLN B 43 9.421 3.750 12.638 1.00 0.00 H < ATOM 1436 1HE2 GLN B 43 11.906 1.261 13.983 1.00 0.00 H < ATOM 1437 2HE2 GLN B 43 10.194 1.218 13.715 1.00 0.00 H < ATOM 1438 N GLN B 44 8.940 8.291 13.389 1.00 0.00 N < ATOM 1439 CA GLN B 44 8.947 9.696 13.803 1.00 0.00 C < ATOM 1440 C GLN B 44 7.531 10.290 13.823 1.00 0.00 C < ATOM 1441 O GLN B 44 7.225 11.141 14.658 1.00 0.00 O < ATOM 1442 CB GLN B 44 9.838 10.519 12.868 1.00 0.00 C < ATOM 1443 CG GLN B 44 10.044 11.957 13.312 1.00 0.00 C < ATOM 1444 CD GLN B 44 10.773 12.055 14.638 1.00 0.00 C < ATOM 1445 OE1 GLN B 44 11.782 11.380 14.860 1.00 0.00 O < ATOM 1446 NE2 GLN B 44 10.263 12.895 15.532 1.00 0.00 N < ATOM 1447 H GLN B 44 9.376 8.032 12.515 1.00 0.00 H < ATOM 1448 HA GLN B 44 9.323 9.773 14.823 1.00 0.00 H < ATOM 1449 1HB GLN B 44 10.799 10.006 12.818 1.00 0.00 H < ATOM 1450 2HB GLN B 44 9.365 10.500 11.886 1.00 0.00 H < ATOM 1451 1HG GLN B 44 10.445 12.726 12.652 1.00 0.00 H < ATOM 1452 2HG GLN B 44 8.984 12.147 13.485 1.00 0.00 H < ATOM 1453 1HE2 GLN B 44 10.701 13.002 16.426 1.00 0.00 H < ATOM 1454 2HE2 GLN B 44 9.442 13.422 15.312 1.00 0.00 H < ATOM 1455 N GLN B 45 6.679 9.836 12.906 1.00 0.00 N < ATOM 1456 CA GLN B 45 5.306 10.341 12.782 1.00 0.00 C < ATOM 1457 C GLN B 45 4.368 9.681 13.795 1.00 0.00 C < ATOM 1458 O GLN B 45 3.377 10.282 14.210 1.00 0.00 O < ATOM 1459 CB GLN B 45 4.776 10.106 11.365 1.00 0.00 C < ATOM 1460 CG GLN B 45 5.501 10.900 10.291 1.00 0.00 C < ATOM 1461 CD GLN B 45 5.430 12.395 10.530 1.00 0.00 C < ATOM 1462 OE1 GLN B 45 4.350 12.955 10.741 1.00 0.00 O < ATOM 1463 NE2 GLN B 45 6.583 13.055 10.494 1.00 0.00 N < ATOM 1464 H GLN B 45 6.997 9.114 12.274 1.00 0.00 H < ATOM 1465 HA GLN B 45 5.289 11.409 13.000 1.00 0.00 H < ATOM 1466 1HB GLN B 45 4.875 9.038 11.165 1.00 0.00 H < ATOM 1467 2HB GLN B 45 3.721 10.378 11.374 1.00 0.00 H < ATOM 1468 1HG GLN B 45 6.513 10.661 9.962 1.00 0.00 H < ATOM 1469 2HG GLN B 45 4.794 10.642 9.501 1.00 0.00 H < ATOM 1470 1HE2 GLN B 45 6.598 14.045 10.645 1.00 0.00 H < ATOM 1471 2HE2 GLN B 45 7.436 12.563 10.318 1.00 0.00 H < ATOM 1472 N THR B 46 4.682 8.445 14.184 1.00 0.00 N < ATOM 1473 CA THR B 46 3.891 7.700 15.168 1.00 0.00 C < ATOM 1474 C THR B 46 4.320 8.029 16.594 1.00 0.00 C < ATOM 1475 O THR B 46 4.616 9.178 16.916 1.00 0.00 O < ATOM 1476 OXT THR B 46 4.372 7.161 17.420 1.00 0.00 O < ATOM 1477 CB THR B 46 4.005 6.179 14.951 1.00 0.00 C < ATOM 1478 OG1 THR B 46 3.512 5.842 13.648 1.00 0.00 O < ATOM 1479 CG2 THR B 46 3.203 5.429 16.003 1.00 0.00 C < ATOM 1480 H THR B 46 5.500 8.011 13.780 1.00 0.00 H < ATOM 1481 HA THR B 46 2.842 7.985 15.090 1.00 0.00 H < ATOM 1482 HB THR B 46 5.053 5.888 15.020 1.00 0.00 H < ATOM 1483 HG1 THR B 46 3.231 6.640 13.196 1.00 0.00 H < ATOM 1484 1HG2 THR B 46 3.296 4.356 15.833 1.00 0.00 H < ATOM 1485 2HG2 THR B 46 3.583 5.675 16.994 1.00 0.00 H < ATOM 1486 3HG2 THR B 46 2.156 5.717 15.934 1.00 0.00 H < HETATM 1487 ZN ZN B 47 6.263 5.185 -8.318 1.00 0.00 ZN --- > HETATM 739 ZN ZN A 47 7.194 -2.611 5.728 1.00 0.00 ZN > TER > ATOM 741 N GLY B 1 9.730 14.514 11.228 1.00 0.00 N > ATOM 742 CA GLY B 1 8.822 14.172 10.100 1.00 0.00 C > ATOM 743 C GLY B 1 9.339 14.573 8.733 1.00 0.00 C > ATOM 744 O GLY B 1 9.762 13.722 7.956 1.00 0.00 O > ATOM 745 1H GLY B 1 9.416 15.124 11.956 1.00 0.00 H > ATOM 746 2H GLY B 1 10.089 13.789 11.818 1.00 0.00 H > ATOM 747 3H GLY B 1 10.601 14.971 11.048 1.00 0.00 H > ATOM 748 1HA GLY B 1 8.665 13.092 10.084 1.00 0.00 H > ATOM 749 2HA GLY B 1 7.867 14.674 10.247 1.00 0.00 H > ATOM 750 N SER B 2 9.303 15.873 8.443 1.00 0.00 N > ATOM 751 CA SER B 2 9.710 16.404 7.136 1.00 0.00 C > ATOM 752 C SER B 2 10.961 15.757 6.527 1.00 0.00 C > ATOM 753 O SER B 2 10.898 15.267 5.404 1.00 0.00 O > ATOM 754 CB SER B 2 9.926 17.900 7.260 1.00 0.00 C > ATOM 755 OG SER B 2 8.719 18.597 7.397 1.00 0.00 O > ATOM 756 H SER B 2 8.981 16.511 9.155 1.00 0.00 H > ATOM 757 HA SER B 2 8.923 16.348 6.382 1.00 0.00 H > ATOM 758 1HB SER B 2 10.548 18.090 8.134 1.00 0.00 H > ATOM 759 2HB SER B 2 10.440 18.253 6.366 1.00 0.00 H > ATOM 760 HG SER B 2 7.986 17.976 7.363 1.00 0.00 H > ATOM 761 N PRO B 3 12.099 15.772 7.245 1.00 0.00 N > ATOM 762 CA PRO B 3 13.327 15.241 6.637 1.00 0.00 C > ATOM 763 C PRO B 3 13.231 13.754 6.252 1.00 0.00 C > ATOM 764 O PRO B 3 13.976 13.296 5.373 1.00 0.00 O > ATOM 765 CB PRO B 3 14.389 15.477 7.716 1.00 0.00 C > ATOM 766 CG PRO B 3 13.609 15.650 8.974 1.00 0.00 C > ATOM 767 CD PRO B 3 12.347 16.363 8.567 1.00 0.00 C > ATOM 768 HA PRO B 3 13.581 15.735 5.688 1.00 0.00 H > ATOM 769 1HB PRO B 3 15.083 14.627 7.792 1.00 0.00 H > ATOM 770 2HB PRO B 3 14.995 16.369 7.498 1.00 0.00 H > ATOM 771 1HG PRO B 3 13.381 14.678 9.437 1.00 0.00 H > ATOM 772 2HG PRO B 3 14.172 16.235 9.715 1.00 0.00 H > ATOM 773 1HD PRO B 3 11.519 16.175 9.266 1.00 0.00 H > ATOM 774 2HD PRO B 3 12.484 17.453 8.517 1.00 0.00 H > ATOM 775 N LEU B 4 12.330 13.015 6.898 1.00 0.00 N > ATOM 776 CA LEU B 4 12.137 11.586 6.604 1.00 0.00 C > ATOM 777 C LEU B 4 11.306 11.388 5.339 1.00 0.00 C > ATOM 778 O LEU B 4 11.621 10.537 4.506 1.00 0.00 O > ATOM 779 CB LEU B 4 11.467 10.882 7.791 1.00 0.00 C > ATOM 780 CG LEU B 4 12.297 10.848 9.081 1.00 0.00 C > ATOM 781 CD1 LEU B 4 11.476 10.245 10.214 1.00 0.00 C > ATOM 782 CD2 LEU B 4 13.567 10.043 8.849 1.00 0.00 C > ATOM 783 H LEU B 4 11.764 13.451 7.611 1.00 0.00 H > ATOM 784 HA LEU B 4 13.102 11.118 6.416 1.00 0.00 H > ATOM 785 1HB LEU B 4 10.604 11.533 7.920 1.00 0.00 H > ATOM 786 2HB LEU B 4 11.130 9.879 7.529 1.00 0.00 H > ATOM 787 HG LEU B 4 12.588 11.873 9.306 1.00 0.00 H > ATOM 788 1HD1 LEU B 4 12.073 10.224 11.126 1.00 0.00 H > ATOM 789 2HD1 LEU B 4 10.584 10.849 10.379 1.00 0.00 H > ATOM 790 3HD1 LEU B 4 11.183 9.229 9.950 1.00 0.00 H > ATOM 791 1HD2 LEU B 4 14.155 10.020 9.767 1.00 0.00 H > ATOM 792 2HD2 LEU B 4 13.306 9.025 8.559 1.00 0.00 H > ATOM 793 3HD2 LEU B 4 14.152 10.506 8.055 1.00 0.00 H > ATOM 794 N LEU B 5 10.236 12.165 5.198 1.00 0.00 N > ATOM 795 CA LEU B 5 9.420 12.116 3.989 1.00 0.00 C > ATOM 796 C LEU B 5 10.206 12.598 2.763 1.00 0.00 C > ATOM 797 O LEU B 5 10.044 12.062 1.669 1.00 0.00 O > ATOM 798 CB LEU B 5 8.152 12.958 4.178 1.00 0.00 C > ATOM 799 CG LEU B 5 7.097 12.806 3.075 1.00 0.00 C > ATOM 800 CD1 LEU B 5 6.647 11.355 2.979 1.00 0.00 C > ATOM 801 CD2 LEU B 5 5.916 13.720 3.370 1.00 0.00 C > ATOM 802 H LEU B 5 9.979 12.801 5.940 1.00 0.00 H > ATOM 803 HA LEU B 5 9.134 11.084 3.783 1.00 0.00 H > ATOM 804 1HB LEU B 5 7.786 12.521 5.106 1.00 0.00 H > ATOM 805 2HB LEU B 5 8.386 14.009 4.339 1.00 0.00 H > ATOM 806 HG LEU B 5 7.552 13.141 2.143 1.00 0.00 H > ATOM 807 1HD1 LEU B 5 5.897 11.255 2.193 1.00 0.00 H > ATOM 808 2HD1 LEU B 5 7.503 10.722 2.744 1.00 0.00 H > ATOM 809 3HD1 LEU B 5 6.216 11.044 3.931 1.00 0.00 H > ATOM 810 1HD2 LEU B 5 5.168 13.610 2.584 1.00 0.00 H > ATOM 811 2HD2 LEU B 5 5.478 13.448 4.330 1.00 0.00 H > ATOM 812 3HD2 LEU B 5 6.257 14.754 3.406 1.00 0.00 H > ATOM 813 N GLN B 6 11.049 13.611 2.946 1.00 0.00 N > ATOM 814 CA GLN B 6 11.886 14.129 1.859 1.00 0.00 C > ATOM 815 C GLN B 6 12.867 13.059 1.368 1.00 0.00 C > ATOM 816 O GLN B 6 13.082 12.904 0.158 1.00 0.00 O > ATOM 817 CB GLN B 6 12.658 15.369 2.320 1.00 0.00 C > ATOM 818 CG GLN B 6 11.798 16.608 2.495 1.00 0.00 C > ATOM 819 CD GLN B 6 12.539 17.734 3.189 1.00 0.00 C > ATOM 820 OE1 GLN B 6 13.646 17.544 3.701 1.00 0.00 O > ATOM 821 NE2 GLN B 6 11.932 18.916 3.213 1.00 0.00 N > ATOM 822 H GLN B 6 11.113 14.033 3.860 1.00 0.00 H > ATOM 823 HA GLN B 6 11.259 14.392 1.009 1.00 0.00 H > ATOM 824 1HB GLN B 6 13.132 15.110 3.267 1.00 0.00 H > ATOM 825 2HB GLN B 6 13.426 15.557 1.570 1.00 0.00 H > ATOM 826 1HG GLN B 6 11.215 17.041 1.683 1.00 0.00 H > ATOM 827 2HG GLN B 6 11.123 16.143 3.216 1.00 0.00 H > ATOM 828 1HE2 GLN B 6 12.374 19.696 3.657 1.00 0.00 H > ATOM 829 2HE2 GLN B 6 11.034 19.026 2.787 1.00 0.00 H > ATOM 830 N GLN B 7 13.459 12.327 2.311 1.00 0.00 N > ATOM 831 CA GLN B 7 14.375 11.224 1.991 1.00 0.00 C > ATOM 832 C GLN B 7 13.647 10.107 1.255 1.00 0.00 C > ATOM 833 O GLN B 7 14.190 9.515 0.317 1.00 0.00 O > ATOM 834 CB GLN B 7 15.019 10.668 3.264 1.00 0.00 C > ATOM 835 CG GLN B 7 16.195 9.740 3.011 1.00 0.00 C > ATOM 836 CD GLN B 7 17.395 10.468 2.438 1.00 0.00 C > ATOM 837 OE1 GLN B 7 17.873 11.451 3.010 1.00 0.00 O > ATOM 838 NE2 GLN B 7 17.886 9.992 1.300 1.00 0.00 N > ATOM 839 H GLN B 7 13.266 12.541 3.279 1.00 0.00 H > ATOM 840 HA GLN B 7 15.158 11.582 1.322 1.00 0.00 H > ATOM 841 1HB GLN B 7 15.345 11.525 3.853 1.00 0.00 H > ATOM 842 2HB GLN B 7 14.238 10.133 3.803 1.00 0.00 H > ATOM 843 1HG GLN B 7 16.558 9.032 3.756 1.00 0.00 H > ATOM 844 2HG GLN B 7 15.704 9.195 2.203 1.00 0.00 H > ATOM 845 1HE2 GLN B 7 18.677 10.431 0.873 1.00 0.00 H > ATOM 846 2HE2 GLN B 7 17.466 9.193 0.868 1.00 0.00 H > ATOM 847 N ILE B 8 12.422 9.818 1.683 1.00 0.00 N > ATOM 848 CA ILE B 8 11.544 8.872 0.989 1.00 0.00 C > ATOM 849 C ILE B 8 11.240 9.331 -0.447 1.00 0.00 C > ATOM 850 O ILE B 8 11.312 8.523 -1.383 1.00 0.00 O > ATOM 851 CB ILE B 8 10.219 8.677 1.748 1.00 0.00 C > ATOM 852 CG1 ILE B 8 10.457 7.907 3.049 1.00 0.00 C > ATOM 853 CG2 ILE B 8 9.207 7.952 0.874 1.00 0.00 C > ATOM 854 CD1 ILE B 8 9.261 7.887 3.974 1.00 0.00 C > ATOM 855 H ILE B 8 12.090 10.272 2.522 1.00 0.00 H > ATOM 856 HA ILE B 8 12.039 7.909 0.866 1.00 0.00 H > ATOM 857 HB ILE B 8 9.824 9.652 2.028 1.00 0.00 H > ATOM 858 1HG1 ILE B 8 10.725 6.886 2.777 1.00 0.00 H > ATOM 859 2HG1 ILE B 8 11.300 8.379 3.555 1.00 0.00 H > ATOM 860 1HG2 ILE B 8 8.277 7.822 1.426 1.00 0.00 H > ATOM 861 2HG2 ILE B 8 9.017 8.537 -0.025 1.00 0.00 H > ATOM 862 3HG2 ILE B 8 9.602 6.975 0.593 1.00 0.00 H > ATOM 863 1HD1 ILE B 8 9.506 7.323 4.874 1.00 0.00 H > ATOM 864 2HD1 ILE B 8 8.994 8.908 4.248 1.00 0.00 H > ATOM 865 3HD1 ILE B 8 8.419 7.414 3.471 1.00 0.00 H > ATOM 866 N HIS B 9 10.913 10.614 -0.626 1.00 0.00 N > ATOM 867 CA HIS B 9 10.682 11.169 -1.970 1.00 0.00 C > ATOM 868 C HIS B 9 11.926 10.994 -2.847 1.00 0.00 C > ATOM 869 O HIS B 9 11.846 10.533 -3.989 1.00 0.00 O > ATOM 870 CB HIS B 9 10.308 12.653 -1.893 1.00 0.00 C > ATOM 871 CG HIS B 9 10.027 13.273 -3.226 1.00 0.00 C > ATOM 872 ND1 HIS B 9 8.844 13.069 -3.906 1.00 0.00 N > ATOM 873 CD2 HIS B 9 10.774 14.089 -4.006 1.00 0.00 C > ATOM 874 CE1 HIS B 9 8.876 13.736 -5.047 1.00 0.00 C > ATOM 875 NE2 HIS B 9 10.035 14.362 -5.131 1.00 0.00 N > ATOM 876 H HIS B 9 10.821 11.217 0.178 1.00 0.00 H > ATOM 877 HA HIS B 9 9.872 10.626 -2.457 1.00 0.00 H > ATOM 878 1HB HIS B 9 9.424 12.774 -1.267 1.00 0.00 H > ATOM 879 2HB HIS B 9 11.120 13.209 -1.423 1.00 0.00 H > ATOM 880 HD2 HIS B 9 11.774 14.460 -3.783 1.00 0.00 H > ATOM 881 HE1 HIS B 9 8.080 13.764 -5.791 1.00 0.00 H > ATOM 882 HE2 HIS B 9 10.336 14.948 -5.897 1.00 0.00 H > ATOM 883 N ASN B 10 13.070 11.403 -2.310 1.00 0.00 N > ATOM 884 CA ASN B 10 14.320 11.375 -3.060 1.00 0.00 C > ATOM 885 C ASN B 10 14.720 9.967 -3.493 1.00 0.00 C > ATOM 886 O ASN B 10 15.026 9.760 -4.667 1.00 0.00 O > ATOM 887 CB ASN B 10 15.445 12.008 -2.261 1.00 0.00 C > ATOM 888 CG ASN B 10 15.358 13.507 -2.176 1.00 0.00 C > ATOM 889 OD1 ASN B 10 14.658 14.154 -2.962 1.00 0.00 O > ATOM 890 ND2 ASN B 10 16.127 14.066 -1.277 1.00 0.00 N > ATOM 891 H ASN B 10 13.074 11.740 -1.359 1.00 0.00 H > ATOM 892 HA ASN B 10 14.209 11.942 -3.985 1.00 0.00 H > ATOM 893 1HB ASN B 10 15.730 11.610 -1.286 1.00 0.00 H > ATOM 894 2HB ASN B 10 16.203 11.741 -2.998 1.00 0.00 H > ATOM 895 1HD2 ASN B 10 16.122 15.060 -1.164 1.00 0.00 H > ATOM 896 2HD2 ASN B 10 16.720 13.501 -0.704 1.00 0.00 H > ATOM 897 N ILE B 11 14.716 8.999 -2.575 1.00 0.00 N > ATOM 898 CA ILE B 11 15.124 7.632 -2.939 1.00 0.00 C > ATOM 899 C ILE B 11 14.166 7.061 -3.985 1.00 0.00 C > ATOM 900 O ILE B 11 14.592 6.434 -4.959 1.00 0.00 O > ATOM 901 CB ILE B 11 15.159 6.695 -1.718 1.00 0.00 C > ATOM 902 CG1 ILE B 11 16.235 7.149 -0.728 1.00 0.00 C > ATOM 903 CG2 ILE B 11 15.405 5.260 -2.154 1.00 0.00 C > ATOM 904 CD1 ILE B 11 17.632 7.156 -1.304 1.00 0.00 C > ATOM 905 H ILE B 11 14.433 9.191 -1.625 1.00 0.00 H > ATOM 906 HA ILE B 11 16.105 7.638 -3.413 1.00 0.00 H > ATOM 907 HB ILE B 11 14.205 6.757 -1.195 1.00 0.00 H > ATOM 908 1HG1 ILE B 11 15.972 8.155 -0.401 1.00 0.00 H > ATOM 909 2HG1 ILE B 11 16.198 6.470 0.124 1.00 0.00 H > ATOM 910 1HG2 ILE B 11 15.427 4.611 -1.279 1.00 0.00 H > ATOM 911 2HG2 ILE B 11 14.606 4.940 -2.822 1.00 0.00 H > ATOM 912 3HG2 ILE B 11 16.361 5.197 -2.676 1.00 0.00 H > ATOM 913 1HD1 ILE B 11 18.339 7.488 -0.544 1.00 0.00 H > ATOM 914 2HD1 ILE B 11 17.897 6.149 -1.630 1.00 0.00 H > ATOM 915 3HD1 ILE B 11 17.672 7.834 -2.156 1.00 0.00 H > ATOM 916 N HIS B 12 12.842 7.290 -3.807 1.00 0.00 N > ATOM 917 CA HIS B 12 11.862 6.839 -4.790 1.00 0.00 C > ATOM 918 C HIS B 12 12.203 7.354 -6.169 1.00 0.00 C > ATOM 919 O HIS B 12 12.175 6.589 -7.150 1.00 0.00 O > ATOM 920 CB HIS B 12 10.449 7.285 -4.406 1.00 0.00 C > ATOM 921 CG HIS B 12 9.446 7.118 -5.504 1.00 0.00 C > ATOM 922 ND1 HIS B 12 8.690 8.167 -5.989 1.00 0.00 N > ATOM 923 CD2 HIS B 12 9.073 6.027 -6.212 1.00 0.00 C > ATOM 924 CE1 HIS B 12 7.895 7.726 -6.947 1.00 0.00 C > ATOM 925 NE2 HIS B 12 8.109 6.430 -7.102 1.00 0.00 N > ATOM 926 H HIS B 12 12.523 7.779 -2.983 1.00 0.00 H > ATOM 927 HA HIS B 12 11.876 5.750 -4.852 1.00 0.00 H > ATOM 928 1HB HIS B 12 10.086 6.699 -3.561 1.00 0.00 H > ATOM 929 2HB HIS B 12 10.449 8.342 -4.140 1.00 0.00 H > ATOM 930 HD1 HIS B 12 8.777 9.127 -5.726 1.00 0.00 H > ATOM 931 HD2 HIS B 12 9.389 4.984 -6.187 1.00 0.00 H > ATOM 932 HE1 HIS B 12 7.215 8.405 -7.460 1.00 0.00 H > ATOM 933 N SER B 13 12.483 8.649 -6.291 1.00 0.00 N > ATOM 934 CA SER B 13 12.890 9.238 -7.575 1.00 0.00 C > ATOM 935 C SER B 13 14.184 8.623 -8.109 1.00 0.00 C > ATOM 936 O SER B 13 14.295 8.358 -9.307 1.00 0.00 O > ATOM 937 CB SER B 13 13.067 10.736 -7.424 1.00 0.00 C > ATOM 938 OG SER B 13 11.848 11.358 -7.125 1.00 0.00 O > ATOM 939 H SER B 13 12.413 9.243 -5.478 1.00 0.00 H > ATOM 940 HA SER B 13 12.119 9.174 -8.345 1.00 0.00 H > ATOM 941 1HB SER B 13 13.787 10.939 -6.632 1.00 0.00 H > ATOM 942 2HB SER B 13 13.472 11.149 -8.347 1.00 0.00 H > ATOM 943 HG SER B 13 11.687 11.189 -6.193 1.00 0.00 H > ATOM 944 N PHE B 14 15.160 8.390 -7.232 1.00 0.00 N > ATOM 945 CA PHE B 14 16.437 7.790 -7.654 1.00 0.00 C > ATOM 946 C PHE B 14 16.245 6.385 -8.249 1.00 0.00 C > ATOM 947 O PHE B 14 16.952 6.005 -9.183 1.00 0.00 O > ATOM 948 CB PHE B 14 17.408 7.728 -6.474 1.00 0.00 C > ATOM 949 CG PHE B 14 17.800 9.077 -5.941 1.00 0.00 C > ATOM 950 CD1 PHE B 14 17.587 10.223 -6.691 1.00 0.00 C > ATOM 951 CD2 PHE B 14 18.384 9.201 -4.689 1.00 0.00 C > ATOM 952 CE1 PHE B 14 17.949 11.465 -6.202 1.00 0.00 C > ATOM 953 CE2 PHE B 14 18.745 10.440 -4.197 1.00 0.00 C > ATOM 954 CZ PHE B 14 18.528 11.574 -4.955 1.00 0.00 C > ATOM 955 H PHE B 14 15.025 8.626 -6.260 1.00 0.00 H > ATOM 956 HA PHE B 14 16.885 8.393 -8.446 1.00 0.00 H > ATOM 957 1HB PHE B 14 16.957 7.184 -5.645 1.00 0.00 H > ATOM 958 2HB PHE B 14 18.330 7.231 -6.773 1.00 0.00 H > ATOM 959 HD1 PHE B 14 17.129 10.137 -7.677 1.00 0.00 H > ATOM 960 HD2 PHE B 14 18.557 8.305 -4.091 1.00 0.00 H > ATOM 961 HE1 PHE B 14 17.775 12.357 -6.802 1.00 0.00 H > ATOM 962 HE2 PHE B 14 19.202 10.524 -3.211 1.00 0.00 H > ATOM 963 HZ PHE B 14 18.814 12.550 -4.569 1.00 0.00 H > ATOM 964 N ILE B 15 15.314 5.606 -7.703 1.00 0.00 N > ATOM 965 CA ILE B 15 15.055 4.253 -8.211 1.00 0.00 C > ATOM 966 C ILE B 15 14.612 4.299 -9.687 1.00 0.00 C > ATOM 967 O ILE B 15 15.138 3.555 -10.520 1.00 0.00 O > ATOM 968 CB ILE B 15 13.978 3.545 -7.368 1.00 0.00 C > ATOM 969 CG1 ILE B 15 14.500 3.271 -5.956 1.00 0.00 C > ATOM 970 CG2 ILE B 15 13.542 2.251 -8.039 1.00 0.00 C > ATOM 971 CD1 ILE B 15 13.422 2.876 -4.972 1.00 0.00 C > ATOM 972 H ILE B 15 14.773 5.950 -6.923 1.00 0.00 H > ATOM 973 HA ILE B 15 15.969 3.661 -8.211 1.00 0.00 H > ATOM 974 HB ILE B 15 13.111 4.198 -7.263 1.00 0.00 H > ATOM 975 1HG1 ILE B 15 15.240 2.473 -5.990 1.00 0.00 H > ATOM 976 2HG1 ILE B 15 14.999 4.162 -5.573 1.00 0.00 H > ATOM 977 1HG2 ILE B 15 12.782 1.764 -7.430 1.00 0.00 H > ATOM 978 2HG2 ILE B 15 13.132 2.472 -9.023 1.00 0.00 H > ATOM 979 3HG2 ILE B 15 14.402 1.589 -8.144 1.00 0.00 H > ATOM 980 1HD1 ILE B 15 13.869 2.699 -3.994 1.00 0.00 H > ATOM 981 2HD1 ILE B 15 12.687 3.679 -4.895 1.00 0.00 H > ATOM 982 3HD1 ILE B 15 12.932 1.967 -5.316 1.00 0.00 H > ATOM 983 N HIS B 16 13.639 5.189 -10.028 1.00 0.00 N > ATOM 984 CA HIS B 16 13.167 5.290 -11.406 1.00 0.00 C > ATOM 985 C HIS B 16 14.279 5.728 -12.327 1.00 0.00 C > ATOM 986 O HIS B 16 14.361 5.270 -13.472 1.00 0.00 O > ATOM 987 CB HIS B 16 11.989 6.265 -11.506 1.00 0.00 C > ATOM 988 CG HIS B 16 10.683 5.677 -11.070 1.00 0.00 C > ATOM 989 ND1 HIS B 16 10.082 4.627 -11.729 1.00 0.00 N > ATOM 990 CD2 HIS B 16 9.861 5.996 -10.041 1.00 0.00 C > ATOM 991 CE1 HIS B 16 8.948 4.322 -11.124 1.00 0.00 C > ATOM 992 NE2 HIS B 16 8.790 5.138 -10.097 1.00 0.00 N > ATOM 993 H HIS B 16 13.235 5.788 -9.324 1.00 0.00 H > ATOM 994 HA HIS B 16 12.835 4.312 -11.755 1.00 0.00 H > ATOM 995 1HB HIS B 16 12.167 7.136 -10.872 1.00 0.00 H > ATOM 996 2HB HIS B 16 11.857 6.589 -12.537 1.00 0.00 H > ATOM 997 HD1 HIS B 16 10.470 4.108 -12.493 1.00 0.00 H > ATOM 998 HD2 HIS B 16 9.915 6.750 -9.257 1.00 0.00 H > ATOM 999 HE1 HIS B 16 8.322 3.511 -11.495 1.00 0.00 H > ATOM 1000 N GLN B 17 15.110 6.647 -11.859 1.00 0.00 N > ATOM 1001 CA GLN B 17 16.269 7.079 -12.631 1.00 0.00 C > ATOM 1002 C GLN B 17 17.264 5.936 -12.860 1.00 0.00 C > ATOM 1003 O GLN B 17 17.783 5.772 -13.977 1.00 0.00 O > ATOM 1004 CB GLN B 17 16.972 8.241 -11.924 1.00 0.00 C > ATOM 1005 CG GLN B 17 16.184 9.539 -11.924 1.00 0.00 C > ATOM 1006 CD GLN B 17 16.838 10.614 -11.077 1.00 0.00 C > ATOM 1007 OE1 GLN B 17 17.796 10.350 -10.344 1.00 0.00 O > ATOM 1008 NE2 GLN B 17 16.322 11.834 -11.168 1.00 0.00 N > ATOM 1009 H GLN B 17 14.942 7.059 -10.951 1.00 0.00 H > ATOM 1010 HA GLN B 17 15.949 7.399 -13.622 1.00 0.00 H > ATOM 1011 1HB GLN B 17 17.155 7.920 -10.898 1.00 0.00 H > ATOM 1012 2HB GLN B 17 17.924 8.389 -12.433 1.00 0.00 H > ATOM 1013 1HG GLN B 17 15.820 10.007 -12.838 1.00 0.00 H > ATOM 1014 2HG GLN B 17 15.340 9.126 -11.369 1.00 0.00 H > ATOM 1015 1HE2 GLN B 17 16.712 12.583 -10.632 1.00 0.00 H > ATOM 1016 2HE2 GLN B 17 15.544 12.004 -11.772 1.00 0.00 H > ATOM 1017 N ALA B 18 17.528 5.148 -11.814 1.00 0.00 N > ATOM 1018 CA ALA B 18 18.385 3.959 -11.924 1.00 0.00 C > ATOM 1019 C ALA B 18 17.792 2.915 -12.876 1.00 0.00 C > ATOM 1020 O ALA B 18 18.519 2.275 -13.647 1.00 0.00 O > ATOM 1021 CB ALA B 18 18.617 3.348 -10.549 1.00 0.00 C > ATOM 1022 H ALA B 18 17.124 5.382 -10.919 1.00 0.00 H > ATOM 1023 HA ALA B 18 19.346 4.258 -12.340 1.00 0.00 H > ATOM 1024 1HB ALA B 18 19.253 2.468 -10.646 1.00 0.00 H > ATOM 1025 2HB ALA B 18 19.104 4.078 -9.904 1.00 0.00 H > ATOM 1026 3HB ALA B 18 17.662 3.059 -10.114 1.00 0.00 H > ATOM 1027 N GLN B 19 16.473 2.737 -12.831 1.00 0.00 N > ATOM 1028 CA GLN B 19 15.805 1.802 -13.737 1.00 0.00 C > ATOM 1029 C GLN B 19 15.949 2.272 -15.193 1.00 0.00 C > ATOM 1030 O GLN B 19 16.270 1.467 -16.073 1.00 0.00 O > ATOM 1031 CB GLN B 19 14.325 1.660 -13.369 1.00 0.00 C > ATOM 1032 CG GLN B 19 14.076 0.917 -12.068 1.00 0.00 C > ATOM 1033 CD GLN B 19 12.617 0.946 -11.655 1.00 0.00 C > ATOM 1034 OE1 GLN B 19 11.867 1.849 -12.037 1.00 0.00 O > ATOM 1035 NE2 GLN B 19 12.205 -0.043 -10.871 1.00 0.00 N > ATOM 1036 H GLN B 19 15.920 3.253 -12.161 1.00 0.00 H > ATOM 1037 HA GLN B 19 16.277 0.821 -13.670 1.00 0.00 H > ATOM 1038 1HB GLN B 19 13.875 2.648 -13.284 1.00 0.00 H > ATOM 1039 2HB GLN B 19 13.802 1.129 -14.165 1.00 0.00 H > ATOM 1040 1HG GLN B 19 14.376 -0.124 -12.192 1.00 0.00 H > ATOM 1041 2HG GLN B 19 14.664 1.383 -11.277 1.00 0.00 H > ATOM 1042 1HE2 GLN B 19 11.252 -0.077 -10.566 1.00 0.00 H > ATOM 1043 2HE2 GLN B 19 12.846 -0.755 -10.585 1.00 0.00 H > ATOM 1044 N ALA B 20 15.733 3.566 -15.435 1.00 0.00 N > ATOM 1045 CA ALA B 20 15.885 4.149 -16.776 1.00 0.00 C > ATOM 1046 C ALA B 20 17.300 3.990 -17.335 1.00 0.00 C > ATOM 1047 O ALA B 20 17.472 3.781 -18.543 1.00 0.00 O > ATOM 1048 CB ALA B 20 15.497 5.620 -16.751 1.00 0.00 C > ATOM 1049 H ALA B 20 15.455 4.161 -14.668 1.00 0.00 H > ATOM 1050 HA ALA B 20 15.222 3.622 -17.463 1.00 0.00 H > ATOM 1051 1HB ALA B 20 15.612 6.042 -17.750 1.00 0.00 H > ATOM 1052 2HB ALA B 20 14.459 5.717 -16.435 1.00 0.00 H > ATOM 1053 3HB ALA B 20 16.141 6.153 -16.055 1.00 0.00 H > ATOM 1054 N ALA B 21 18.300 4.090 -16.457 1.00 0.00 N > ATOM 1055 CA ALA B 21 19.711 3.928 -16.832 1.00 0.00 C > ATOM 1056 C ALA B 21 20.151 2.460 -16.904 1.00 0.00 C > ATOM 1057 O ALA B 21 21.282 2.175 -17.300 1.00 0.00 O > ATOM 1058 CB ALA B 21 20.596 4.689 -15.854 1.00 0.00 C > ATOM 1059 H ALA B 21 18.067 4.287 -15.494 1.00 0.00 H > ATOM 1060 HA ALA B 21 19.857 4.337 -17.831 1.00 0.00 H > ATOM 1061 1HB ALA B 21 21.641 4.564 -16.137 1.00 0.00 H > ATOM 1062 2HB ALA B 21 20.338 5.748 -15.878 1.00 0.00 H > ATOM 1063 3HB ALA B 21 20.444 4.301 -14.849 1.00 0.00 H > ATOM 1064 N GLY B 22 19.276 1.532 -16.526 1.00 0.00 N > ATOM 1065 CA GLY B 22 19.632 0.114 -16.454 1.00 0.00 C > ATOM 1066 C GLY B 22 20.511 -0.258 -15.271 1.00 0.00 C > ATOM 1067 O GLY B 22 21.083 -1.346 -15.246 1.00 0.00 O > ATOM 1068 H GLY B 22 18.338 1.817 -16.283 1.00 0.00 H > ATOM 1069 1HA GLY B 22 18.721 -0.480 -16.380 1.00 0.00 H > ATOM 1070 2HA GLY B 22 20.172 -0.165 -17.358 1.00 0.00 H > ATOM 1071 N ARG B 23 20.606 0.637 -14.288 1.00 0.00 N > ATOM 1072 CA ARG B 23 21.510 0.450 -13.143 1.00 0.00 C > ATOM 1073 C ARG B 23 20.839 -0.405 -12.061 1.00 0.00 C > ATOM 1074 O ARG B 23 20.557 0.087 -10.960 1.00 0.00 O > ATOM 1075 CB ARG B 23 22.014 1.771 -12.581 1.00 0.00 C > ATOM 1076 CG ARG B 23 22.870 2.587 -13.537 1.00 0.00 C > ATOM 1077 CD ARG B 23 23.231 3.938 -13.034 1.00 0.00 C > ATOM 1078 NE ARG B 23 24.157 3.935 -11.914 1.00 0.00 N > ATOM 1079 CZ ARG B 23 24.490 5.025 -11.194 1.00 0.00 C > ATOM 1080 NH1 ARG B 23 24.007 6.209 -11.494 1.00 0.00 N > ATOM 1081 NH2 ARG B 23 25.337 4.874 -10.189 1.00 0.00 N > ATOM 1082 H ARG B 23 20.036 1.469 -14.334 1.00 0.00 H > ATOM 1083 HA ARG B 23 22.404 -0.086 -13.463 1.00 0.00 H > ATOM 1084 1HB ARG B 23 21.137 2.351 -12.297 1.00 0.00 H > ATOM 1085 2HB ARG B 23 22.596 1.534 -11.690 1.00 0.00 H > ATOM 1086 1HG ARG B 23 23.794 2.042 -13.728 1.00 0.00 H > ATOM 1087 2HG ARG B 23 22.322 2.711 -14.472 1.00 0.00 H > ATOM 1088 1HD ARG B 23 23.695 4.503 -13.841 1.00 0.00 H > ATOM 1089 2HD ARG B 23 22.325 4.447 -12.708 1.00 0.00 H > ATOM 1090 HE ARG B 23 24.677 3.167 -11.510 1.00 0.00 H > ATOM 1091 1HH1 ARG B 23 23.375 6.309 -12.276 1.00 0.00 H > ATOM 1092 2HH1 ARG B 23 24.269 7.012 -10.942 1.00 0.00 H > ATOM 1093 1HH2 ARG B 23 25.714 3.958 -9.983 1.00 0.00 H > ATOM 1094 2HH2 ARG B 23 25.604 5.672 -9.633 1.00 0.00 H > ATOM 1095 N MET B 24 20.607 -1.679 -12.373 1.00 0.00 N > ATOM 1096 CA MET B 24 19.865 -2.587 -11.487 1.00 0.00 C > ATOM 1097 C MET B 24 20.524 -2.815 -10.118 1.00 0.00 C > ATOM 1098 O MET B 24 19.826 -3.101 -9.141 1.00 0.00 O > ATOM 1099 CB MET B 24 19.670 -3.929 -12.189 1.00 0.00 C > ATOM 1100 CG MET B 24 18.678 -3.898 -13.343 1.00 0.00 C > ATOM 1101 SD MET B 24 17.093 -3.172 -12.879 1.00 0.00 S > ATOM 1102 CE MET B 24 16.575 -4.292 -11.581 1.00 0.00 C > ATOM 1103 H MET B 24 20.956 -2.030 -13.254 1.00 0.00 H > ATOM 1104 HA MET B 24 18.889 -2.162 -11.252 1.00 0.00 H > ATOM 1105 1HB MET B 24 20.647 -4.239 -12.558 1.00 0.00 H > ATOM 1106 2HB MET B 24 19.325 -4.636 -11.434 1.00 0.00 H > ATOM 1107 1HG MET B 24 19.116 -3.315 -14.152 1.00 0.00 H > ATOM 1108 2HG MET B 24 18.517 -4.923 -13.680 1.00 0.00 H > ATOM 1109 1HE MET B 24 15.608 -3.975 -11.191 1.00 0.00 H > ATOM 1110 2HE MET B 24 16.491 -5.303 -11.985 1.00 0.00 H > ATOM 1111 3HE MET B 24 17.311 -4.283 -10.777 1.00 0.00 H > ATOM 1112 N ASP B 25 21.850 -2.703 -10.043 1.00 0.00 N > ATOM 1113 CA ASP B 25 22.529 -2.805 -8.751 1.00 0.00 C > ATOM 1114 C ASP B 25 22.065 -1.691 -7.814 1.00 0.00 C > ATOM 1115 O ASP B 25 21.833 -1.928 -6.622 1.00 0.00 O > ATOM 1116 CB ASP B 25 24.048 -2.747 -8.932 1.00 0.00 C > ATOM 1117 CG ASP B 25 24.654 -3.989 -9.571 1.00 0.00 C > ATOM 1118 OD1 ASP B 25 23.978 -4.988 -9.640 1.00 0.00 O > ATOM 1119 OD2 ASP B 25 25.723 -3.887 -10.125 1.00 0.00 O > ATOM 1120 H ASP B 25 22.399 -2.548 -10.876 1.00 0.00 H > ATOM 1121 HA ASP B 25 22.274 -3.751 -8.273 1.00 0.00 H > ATOM 1122 1HB ASP B 25 24.388 -1.861 -9.469 1.00 0.00 H > ATOM 1123 2HB ASP B 25 24.363 -2.684 -7.890 1.00 0.00 H > ATOM 1124 N GLU B 26 21.916 -0.488 -8.369 1.00 0.00 N > ATOM 1125 CA GLU B 26 21.421 0.681 -7.626 1.00 0.00 C > ATOM 1126 C GLU B 26 19.927 0.564 -7.339 1.00 0.00 C > ATOM 1127 O GLU B 26 19.452 0.965 -6.274 1.00 0.00 O > ATOM 1128 CB GLU B 26 21.703 1.971 -8.400 1.00 0.00 C > ATOM 1129 CG GLU B 26 23.180 2.297 -8.562 1.00 0.00 C > ATOM 1130 CD GLU B 26 23.833 2.549 -7.231 1.00 0.00 C > ATOM 1131 OE1 GLU B 26 23.309 3.328 -6.472 1.00 0.00 O > ATOM 1132 OE2 GLU B 26 24.792 1.879 -6.926 1.00 0.00 O > ATOM 1133 H GLU B 26 22.157 -0.386 -9.345 1.00 0.00 H > ATOM 1134 HA GLU B 26 21.919 0.742 -6.658 1.00 0.00 H > ATOM 1135 1HB GLU B 26 21.247 1.857 -9.385 1.00 0.00 H > ATOM 1136 2HB GLU B 26 21.209 2.780 -7.862 1.00 0.00 H > ATOM 1137 1HG GLU B 26 23.737 1.529 -9.100 1.00 0.00 H > ATOM 1138 2HG GLU B 26 23.177 3.217 -9.145 1.00 0.00 H > ATOM 1139 N VAL B 27 19.175 0.025 -8.294 1.00 0.00 N > ATOM 1140 CA VAL B 27 17.743 -0.185 -8.083 1.00 0.00 C > ATOM 1141 C VAL B 27 17.487 -1.090 -6.870 1.00 0.00 C > ATOM 1142 O VAL B 27 16.632 -0.771 -6.047 1.00 0.00 O > ATOM 1143 CB VAL B 27 17.076 -0.804 -9.326 1.00 0.00 C > ATOM 1144 CG1 VAL B 27 15.650 -1.228 -9.010 1.00 0.00 C > ATOM 1145 CG2 VAL B 27 17.093 0.180 -10.486 1.00 0.00 C > ATOM 1146 H VAL B 27 19.588 -0.245 -9.176 1.00 0.00 H > ATOM 1147 HA VAL B 27 17.236 0.750 -7.845 1.00 0.00 H > ATOM 1148 HB VAL B 27 17.651 -1.675 -9.641 1.00 0.00 H > ATOM 1149 1HG1 VAL B 27 15.193 -1.663 -9.900 1.00 0.00 H > ATOM 1150 2HG1 VAL B 27 15.659 -1.968 -8.209 1.00 0.00 H > ATOM 1151 3HG1 VAL B 27 15.073 -0.359 -8.696 1.00 0.00 H > ATOM 1152 1HG2 VAL B 27 16.619 -0.273 -11.355 1.00 0.00 H > ATOM 1153 2HG2 VAL B 27 16.550 1.082 -10.205 1.00 0.00 H > ATOM 1154 3HG2 VAL B 27 18.124 0.437 -10.729 1.00 0.00 H > ATOM 1155 N ARG B 28 18.212 -2.206 -6.747 1.00 0.00 N > ATOM 1156 CA ARG B 28 18.043 -3.090 -5.577 1.00 0.00 C > ATOM 1157 C ARG B 28 18.436 -2.441 -4.249 1.00 0.00 C > ATOM 1158 O ARG B 28 17.695 -2.554 -3.270 1.00 0.00 O > ATOM 1159 CB ARG B 28 18.776 -4.410 -5.763 1.00 0.00 C > ATOM 1160 CG ARG B 28 18.184 -5.326 -6.823 1.00 0.00 C > ATOM 1161 CD ARG B 28 19.006 -6.526 -7.122 1.00 0.00 C > ATOM 1162 NE ARG B 28 18.450 -7.397 -8.146 1.00 0.00 N > ATOM 1163 CZ ARG B 28 19.095 -8.449 -8.688 1.00 0.00 C > ATOM 1164 NH1 ARG B 28 20.329 -8.741 -8.338 1.00 0.00 N > ATOM 1165 NH2 ARG B 28 18.463 -9.166 -9.601 1.00 0.00 N > ATOM 1166 H ARG B 28 18.886 -2.454 -7.458 1.00 0.00 H > ATOM 1167 HA ARG B 28 16.990 -3.352 -5.462 1.00 0.00 H > ATOM 1168 1HB ARG B 28 19.804 -4.168 -6.030 1.00 0.00 H > ATOM 1169 2HB ARG B 28 18.761 -4.920 -4.800 1.00 0.00 H > ATOM 1170 1HG ARG B 28 17.206 -5.666 -6.483 1.00 0.00 H > ATOM 1171 2HG ARG B 28 18.070 -4.758 -7.747 1.00 0.00 H > ATOM 1172 1HD ARG B 28 19.990 -6.206 -7.465 1.00 0.00 H > ATOM 1173 2HD ARG B 28 19.113 -7.118 -6.213 1.00 0.00 H > ATOM 1174 HE ARG B 28 17.546 -7.367 -8.597 1.00 0.00 H > ATOM 1175 1HH1 ARG B 28 20.805 -8.172 -7.653 1.00 0.00 H > ATOM 1176 2HH1 ARG B 28 20.795 -9.533 -8.757 1.00 0.00 H > ATOM 1177 1HH2 ARG B 28 17.522 -8.917 -9.872 1.00 0.00 H > ATOM 1178 2HH2 ARG B 28 18.924 -9.959 -10.024 1.00 0.00 H > ATOM 1179 N THR B 29 19.579 -1.759 -4.197 1.00 0.00 N > ATOM 1180 CA THR B 29 19.971 -1.100 -2.951 1.00 0.00 C > ATOM 1181 C THR B 29 18.989 0.021 -2.594 1.00 0.00 C > ATOM 1182 O THR B 29 18.557 0.104 -1.439 1.00 0.00 O > ATOM 1183 CB THR B 29 21.393 -0.516 -3.041 1.00 0.00 C > ATOM 1184 OG1 THR B 29 22.336 -1.578 -3.234 1.00 0.00 O > ATOM 1185 CG2 THR B 29 21.741 0.242 -1.769 1.00 0.00 C > ATOM 1186 H THR B 29 20.184 -1.688 -5.003 1.00 0.00 H > ATOM 1187 HA THR B 29 19.939 -1.816 -2.128 1.00 0.00 H > ATOM 1188 HB THR B 29 21.444 0.162 -3.893 1.00 0.00 H > ATOM 1189 HG1 THR B 29 21.869 -2.415 -3.291 1.00 0.00 H > ATOM 1190 1HG2 THR B 29 22.749 0.646 -1.853 1.00 0.00 H > ATOM 1191 2HG2 THR B 29 21.031 1.057 -1.627 1.00 0.00 H > ATOM 1192 3HG2 THR B 29 21.691 -0.435 -0.918 1.00 0.00 H > ATOM 1193 N LEU B 30 18.632 0.863 -3.570 1.00 0.00 N > ATOM 1194 CA LEU B 30 17.689 1.970 -3.318 1.00 0.00 C > ATOM 1195 C LEU B 30 16.287 1.470 -2.926 1.00 0.00 C > ATOM 1196 O LEU B 30 15.638 2.066 -2.063 1.00 0.00 O > ATOM 1197 CB LEU B 30 17.597 2.870 -4.557 1.00 0.00 C > ATOM 1198 CG LEU B 30 18.876 3.645 -4.898 1.00 0.00 C > ATOM 1199 CD1 LEU B 30 18.775 4.231 -6.299 1.00 0.00 C > ATOM 1200 CD2 LEU B 30 19.095 4.744 -3.869 1.00 0.00 C > ATOM 1201 H LEU B 30 19.013 0.742 -4.497 1.00 0.00 H > ATOM 1202 HA LEU B 30 18.038 2.562 -2.473 1.00 0.00 H > ATOM 1203 1HB LEU B 30 17.408 2.110 -5.313 1.00 0.00 H > ATOM 1204 2HB LEU B 30 16.745 3.547 -4.502 1.00 0.00 H > ATOM 1205 HG LEU B 30 19.709 2.945 -4.820 1.00 0.00 H > ATOM 1206 1HD1 LEU B 30 19.688 4.778 -6.532 1.00 0.00 H > ATOM 1207 2HD1 LEU B 30 18.643 3.424 -7.021 1.00 0.00 H > ATOM 1208 3HD1 LEU B 30 17.923 4.907 -6.349 1.00 0.00 H > ATOM 1209 1HD2 LEU B 30 20.005 5.293 -4.111 1.00 0.00 H > ATOM 1210 2HD2 LEU B 30 18.245 5.426 -3.878 1.00 0.00 H > ATOM 1211 3HD2 LEU B 30 19.193 4.300 -2.877 1.00 0.00 H > ATOM 1212 N GLN B 31 15.808 0.406 -3.567 1.00 0.00 N > ATOM 1213 CA GLN B 31 14.482 -0.122 -3.226 1.00 0.00 C > ATOM 1214 C GLN B 31 14.416 -0.593 -1.772 1.00 0.00 C > ATOM 1215 O GLN B 31 13.422 -0.343 -1.087 1.00 0.00 O > ATOM 1216 CB GLN B 31 14.114 -1.280 -4.158 1.00 0.00 C > ATOM 1217 CG GLN B 31 12.686 -1.776 -4.000 1.00 0.00 C > ATOM 1218 CD GLN B 31 11.665 -0.762 -4.479 1.00 0.00 C > ATOM 1219 OE1 GLN B 31 11.712 -0.307 -5.625 1.00 0.00 O > ATOM 1220 NE2 GLN B 31 10.737 -0.399 -3.602 1.00 0.00 N > ATOM 1221 H GLN B 31 16.347 -0.049 -4.291 1.00 0.00 H > ATOM 1222 HA GLN B 31 13.738 0.669 -3.324 1.00 0.00 H > ATOM 1223 1HB GLN B 31 14.272 -0.927 -5.177 1.00 0.00 H > ATOM 1224 2HB GLN B 31 14.811 -2.090 -3.944 1.00 0.00 H > ATOM 1225 1HG GLN B 31 12.363 -2.762 -4.336 1.00 0.00 H > ATOM 1226 2HG GLN B 31 12.708 -1.756 -2.909 1.00 0.00 H > ATOM 1227 1HE2 GLN B 31 10.037 0.267 -3.861 1.00 0.00 H > ATOM 1228 2HE2 GLN B 31 10.736 -0.792 -2.682 1.00 0.00 H > ATOM 1229 N GLU B 32 15.471 -1.249 -1.291 1.00 0.00 N > ATOM 1230 CA GLU B 32 15.564 -1.630 0.118 1.00 0.00 C > ATOM 1231 C GLU B 32 15.631 -0.398 1.036 1.00 0.00 C > ATOM 1232 O GLU B 32 14.974 -0.370 2.077 1.00 0.00 O > ATOM 1233 CB GLU B 32 16.785 -2.523 0.345 1.00 0.00 C > ATOM 1234 CG GLU B 32 16.661 -3.920 -0.246 1.00 0.00 C > ATOM 1235 CD GLU B 32 17.929 -4.707 -0.061 1.00 0.00 C > ATOM 1236 OE1 GLU B 32 18.890 -4.147 0.411 1.00 0.00 O > ATOM 1237 OE2 GLU B 32 17.905 -5.894 -0.283 1.00 0.00 O > ATOM 1238 H GLU B 32 16.227 -1.490 -1.917 1.00 0.00 H > ATOM 1239 HA GLU B 32 14.669 -2.179 0.412 1.00 0.00 H > ATOM 1240 1HB GLU B 32 17.639 -2.015 -0.103 1.00 0.00 H > ATOM 1241 2HB GLU B 32 16.931 -2.598 1.422 1.00 0.00 H > ATOM 1242 1HG GLU B 32 15.822 -4.488 0.154 1.00 0.00 H > ATOM 1243 2HG GLU B 32 16.501 -3.737 -1.308 1.00 0.00 H > ATOM 1244 N ASN B 33 16.389 0.627 0.645 1.00 0.00 N > ATOM 1245 CA ASN B 33 16.473 1.861 1.433 1.00 0.00 C > ATOM 1246 C ASN B 33 15.111 2.537 1.568 1.00 0.00 C > ATOM 1247 O ASN B 33 14.756 3.033 2.640 1.00 0.00 O > ATOM 1248 CB ASN B 33 17.479 2.830 0.839 1.00 0.00 C > ATOM 1249 CG ASN B 33 18.911 2.430 1.063 1.00 0.00 C > ATOM 1250 OD1 ASN B 33 19.217 1.609 1.935 1.00 0.00 O > ATOM 1251 ND2 ASN B 33 19.795 3.065 0.337 1.00 0.00 N > ATOM 1252 H ASN B 33 16.918 0.553 -0.213 1.00 0.00 H > ATOM 1253 HA ASN B 33 16.801 1.629 2.448 1.00 0.00 H > ATOM 1254 1HB ASN B 33 17.365 3.196 -0.182 1.00 0.00 H > ATOM 1255 2HB ASN B 33 17.222 3.623 1.540 1.00 0.00 H > ATOM 1256 1HD2 ASN B 33 20.767 2.849 0.433 1.00 0.00 H > ATOM 1257 2HD2 ASN B 33 19.498 3.764 -0.312 1.00 0.00 H > ATOM 1258 N LEU B 34 14.371 2.571 0.459 1.00 0.00 N > ATOM 1259 CA LEU B 34 13.046 3.206 0.409 1.00 0.00 C > ATOM 1260 C LEU B 34 12.072 2.546 1.383 1.00 0.00 C > ATOM 1261 O LEU B 34 11.380 3.239 2.129 1.00 0.00 O > ATOM 1262 CB LEU B 34 12.485 3.153 -1.018 1.00 0.00 C > ATOM 1263 CG LEU B 34 11.129 3.844 -1.212 1.00 0.00 C > ATOM 1264 CD1 LEU B 34 11.257 5.333 -0.920 1.00 0.00 C > ATOM 1265 CD2 LEU B 34 10.640 3.614 -2.634 1.00 0.00 C > ATOM 1266 H LEU B 34 14.742 2.139 -0.375 1.00 0.00 H > ATOM 1267 HA LEU B 34 13.129 4.247 0.717 1.00 0.00 H > ATOM 1268 1HB LEU B 34 13.266 3.708 -1.536 1.00 0.00 H > ATOM 1269 2HB LEU B 34 12.451 2.132 -1.400 1.00 0.00 H > ATOM 1270 HG LEU B 34 10.422 3.366 -0.535 1.00 0.00 H > ATOM 1271 1HD1 LEU B 34 10.289 5.815 -1.060 1.00 0.00 H > ATOM 1272 2HD1 LEU B 34 11.586 5.475 0.110 1.00 0.00 H > ATOM 1273 3HD1 LEU B 34 11.984 5.776 -1.598 1.00 0.00 H > ATOM 1274 1HD2 LEU B 34 9.677 4.104 -2.771 1.00 0.00 H > ATOM 1275 2HD2 LEU B 34 11.362 4.027 -3.339 1.00 0.00 H > ATOM 1276 3HD2 LEU B 34 10.530 2.544 -2.812 1.00 0.00 H > ATOM 1277 N HIS B 35 12.012 1.183 1.382 1.00 0.00 N > ATOM 1278 CA HIS B 35 11.115 0.456 2.277 1.00 0.00 C > ATOM 1279 C HIS B 35 11.489 0.686 3.721 1.00 0.00 C > ATOM 1280 O HIS B 35 10.612 0.861 4.575 1.00 0.00 O > ATOM 1281 CB HIS B 35 11.131 -1.045 1.967 1.00 0.00 C > ATOM 1282 CG HIS B 35 10.067 -1.818 2.681 1.00 0.00 C > ATOM 1283 ND1 HIS B 35 9.625 -3.051 2.249 1.00 0.00 N > ATOM 1284 CD2 HIS B 35 9.355 -1.534 3.798 1.00 0.00 C > ATOM 1285 CE1 HIS B 35 8.689 -3.492 3.069 1.00 0.00 C > ATOM 1286 NE2 HIS B 35 8.507 -2.591 4.017 1.00 0.00 N > ATOM 1287 H HIS B 35 12.602 0.663 0.749 1.00 0.00 H > ATOM 1288 HA HIS B 35 10.095 0.820 2.153 1.00 0.00 H > ATOM 1289 1HB HIS B 35 10.974 -1.212 0.901 1.00 0.00 H > ATOM 1290 2HB HIS B 35 12.086 -1.478 2.264 1.00 0.00 H > ATOM 1291 HD1 HIS B 35 10.001 -3.579 1.488 1.00 0.00 H > ATOM 1292 HD2 HIS B 35 9.356 -0.684 4.479 1.00 0.00 H > ATOM 1293 HE1 HIS B 35 8.211 -4.457 2.898 1.00 0.00 H > ATOM 1294 N GLN B 36 12.782 0.643 4.016 1.00 0.00 N > ATOM 1295 CA GLN B 36 13.276 0.900 5.367 1.00 0.00 C > ATOM 1296 C GLN B 36 12.989 2.334 5.834 1.00 0.00 C > ATOM 1297 O GLN B 36 12.620 2.540 6.999 1.00 0.00 O > ATOM 1298 CB GLN B 36 14.782 0.632 5.434 1.00 0.00 C > ATOM 1299 CG GLN B 36 15.160 -0.834 5.307 1.00 0.00 C > ATOM 1300 CD GLN B 36 16.653 -1.034 5.128 1.00 0.00 C > ATOM 1301 OE1 GLN B 36 17.410 -0.069 4.991 1.00 0.00 O > ATOM 1302 NE2 GLN B 36 17.084 -2.289 5.125 1.00 0.00 N > ATOM 1303 H GLN B 36 13.442 0.425 3.284 1.00 0.00 H > ATOM 1304 HA GLN B 36 12.760 0.250 6.074 1.00 0.00 H > ATOM 1305 1HB GLN B 36 15.239 1.202 4.626 1.00 0.00 H > ATOM 1306 2HB GLN B 36 15.128 1.019 6.392 1.00 0.00 H > ATOM 1307 1HG GLN B 36 14.801 -1.599 5.996 1.00 0.00 H > ATOM 1308 2HG GLN B 36 14.676 -0.965 4.338 1.00 0.00 H > ATOM 1309 1HE2 GLN B 36 18.060 -2.485 5.010 1.00 0.00 H > ATOM 1310 2HE2 GLN B 36 16.436 -3.042 5.237 1.00 0.00 H > ATOM 1311 N LEU B 37 13.125 3.321 4.939 1.00 0.00 N > ATOM 1312 CA LEU B 37 12.785 4.709 5.275 1.00 0.00 C > ATOM 1313 C LEU B 37 11.310 4.863 5.637 1.00 0.00 C > ATOM 1314 O LEU B 37 10.973 5.632 6.539 1.00 0.00 O > ATOM 1315 CB LEU B 37 13.140 5.636 4.106 1.00 0.00 C > ATOM 1316 CG LEU B 37 14.640 5.879 3.898 1.00 0.00 C > ATOM 1317 CD1 LEU B 37 14.881 6.509 2.532 1.00 0.00 C > ATOM 1318 CD2 LEU B 37 15.168 6.778 5.006 1.00 0.00 C > ATOM 1319 H LEU B 37 13.469 3.108 4.013 1.00 0.00 H > ATOM 1320 HA LEU B 37 13.345 5.019 6.156 1.00 0.00 H > ATOM 1321 1HB LEU B 37 12.739 5.045 3.284 1.00 0.00 H > ATOM 1322 2HB LEU B 37 12.605 6.584 4.166 1.00 0.00 H > ATOM 1323 HG LEU B 37 15.140 4.914 3.984 1.00 0.00 H > ATOM 1324 1HD1 LEU B 37 15.949 6.677 2.392 1.00 0.00 H > ATOM 1325 2HD1 LEU B 37 14.516 5.839 1.753 1.00 0.00 H > ATOM 1326 3HD1 LEU B 37 14.353 7.459 2.471 1.00 0.00 H > ATOM 1327 1HD2 LEU B 37 16.234 6.950 4.857 1.00 0.00 H > ATOM 1328 2HD2 LEU B 37 14.640 7.731 4.985 1.00 0.00 H > ATOM 1329 3HD2 LEU B 37 15.010 6.297 5.972 1.00 0.00 H > ATOM 1330 N GLN B 38 10.432 4.143 4.940 1.00 0.00 N > ATOM 1331 CA GLN B 38 9.008 4.191 5.259 1.00 0.00 C > ATOM 1332 C GLN B 38 8.751 3.754 6.701 1.00 0.00 C > ATOM 1333 O GLN B 38 7.914 4.352 7.378 1.00 0.00 O > ATOM 1334 CB GLN B 38 8.214 3.300 4.300 1.00 0.00 C > ATOM 1335 CG GLN B 38 6.709 3.479 4.387 1.00 0.00 C > ATOM 1336 CD GLN B 38 6.255 4.834 3.879 1.00 0.00 C > ATOM 1337 OE1 GLN B 38 6.569 5.226 2.751 1.00 0.00 O > ATOM 1338 NE2 GLN B 38 5.518 5.560 4.710 1.00 0.00 N > ATOM 1339 H GLN B 38 10.747 3.556 4.180 1.00 0.00 H > ATOM 1340 HA GLN B 38 8.650 5.216 5.178 1.00 0.00 H > ATOM 1341 1HB GLN B 38 8.557 3.539 3.292 1.00 0.00 H > ATOM 1342 2HB GLN B 38 8.477 2.269 4.536 1.00 0.00 H > ATOM 1343 1HG GLN B 38 6.004 2.731 4.023 1.00 0.00 H > ATOM 1344 2HG GLN B 38 6.687 3.494 5.477 1.00 0.00 H > ATOM 1345 1HE2 GLN B 38 5.190 6.463 4.429 1.00 0.00 H > ATOM 1346 2HE2 GLN B 38 5.289 5.205 5.617 1.00 0.00 H > ATOM 1347 N HIS B 39 9.479 2.721 7.198 1.00 0.00 N > ATOM 1348 CA HIS B 39 9.293 2.314 8.588 1.00 0.00 C > ATOM 1349 C HIS B 39 9.675 3.428 9.532 1.00 0.00 C > ATOM 1350 O HIS B 39 8.940 3.714 10.482 1.00 0.00 O > ATOM 1351 CB HIS B 39 10.113 1.057 8.901 1.00 0.00 C > ATOM 1352 CG HIS B 39 9.511 -0.203 8.364 1.00 0.00 C > ATOM 1353 ND1 HIS B 39 9.762 -1.441 8.918 1.00 0.00 N > ATOM 1354 CD2 HIS B 39 8.671 -0.417 7.324 1.00 0.00 C > ATOM 1355 CE1 HIS B 39 9.099 -2.364 8.240 1.00 0.00 C > ATOM 1356 NE2 HIS B 39 8.431 -1.769 7.270 1.00 0.00 N > ATOM 1357 H HIS B 39 10.148 2.225 6.625 1.00 0.00 H > ATOM 1358 HA HIS B 39 8.241 2.092 8.770 1.00 0.00 H > ATOM 1359 1HB HIS B 39 11.109 1.139 8.462 1.00 0.00 H > ATOM 1360 2HB HIS B 39 10.201 0.927 9.979 1.00 0.00 H > ATOM 1361 HD1 HIS B 39 10.286 -1.623 9.749 1.00 0.00 H > ATOM 1362 HD2 HIS B 39 8.204 0.249 6.599 1.00 0.00 H > ATOM 1363 HE1 HIS B 39 9.165 -3.415 8.525 1.00 0.00 H > ATOM 1364 N GLU B 40 10.840 4.036 9.320 1.00 0.00 N > ATOM 1365 CA GLU B 40 11.285 5.119 10.195 1.00 0.00 C > ATOM 1366 C GLU B 40 10.283 6.279 10.210 1.00 0.00 C > ATOM 1367 O GLU B 40 9.983 6.836 11.277 1.00 0.00 O > ATOM 1368 CB GLU B 40 12.664 5.621 9.761 1.00 0.00 C > ATOM 1369 CG GLU B 40 13.291 6.636 10.706 1.00 0.00 C > ATOM 1370 CD GLU B 40 14.685 6.995 10.275 1.00 0.00 C > ATOM 1371 OE1 GLU B 40 15.129 6.480 9.277 1.00 0.00 O > ATOM 1372 OE2 GLU B 40 15.266 7.867 10.878 1.00 0.00 O > ATOM 1373 H GLU B 40 11.428 3.752 8.549 1.00 0.00 H > ATOM 1374 HA GLU B 40 11.352 4.760 11.223 1.00 0.00 H > ATOM 1375 1HB GLU B 40 13.312 4.747 9.686 1.00 0.00 H > ATOM 1376 2HB GLU B 40 12.544 6.069 8.774 1.00 0.00 H > ATOM 1377 1HG GLU B 40 12.701 7.544 10.819 1.00 0.00 H > ATOM 1378 2HG GLU B 40 13.330 6.108 11.658 1.00 0.00 H > ATOM 1379 N TYR B 41 9.774 6.647 9.034 1.00 0.00 N > ATOM 1380 CA TYR B 41 8.740 7.688 8.931 1.00 0.00 C > ATOM 1381 C TYR B 41 7.476 7.284 9.699 1.00 0.00 C > ATOM 1382 O TYR B 41 6.979 8.053 10.535 1.00 0.00 O > ATOM 1383 CB TYR B 41 8.397 7.963 7.464 1.00 0.00 C > ATOM 1384 CG TYR B 41 7.337 9.024 7.272 1.00 0.00 C > ATOM 1385 CD1 TYR B 41 7.641 10.370 7.415 1.00 0.00 C > ATOM 1386 CD2 TYR B 41 6.035 8.677 6.945 1.00 0.00 C > ATOM 1387 CE1 TYR B 41 6.677 11.343 7.240 1.00 0.00 C > ATOM 1388 CE2 TYR B 41 5.063 9.641 6.766 1.00 0.00 C > ATOM 1389 CZ TYR B 41 5.387 10.975 6.915 1.00 0.00 C > ATOM 1390 OH TYR B 41 4.422 11.939 6.737 1.00 0.00 O > ATOM 1391 H TYR B 41 10.107 6.200 8.192 1.00 0.00 H > ATOM 1392 HA TYR B 41 9.099 8.612 9.382 1.00 0.00 H > ATOM 1393 1HB TYR B 41 9.319 8.275 6.971 1.00 0.00 H > ATOM 1394 2HB TYR B 41 8.055 7.023 7.032 1.00 0.00 H > ATOM 1395 HD1 TYR B 41 8.662 10.653 7.672 1.00 0.00 H > ATOM 1396 HD2 TYR B 41 5.784 7.622 6.830 1.00 0.00 H > ATOM 1397 HE1 TYR B 41 6.930 12.396 7.356 1.00 0.00 H > ATOM 1398 HE2 TYR B 41 4.045 9.347 6.509 1.00 0.00 H > ATOM 1399 HH TYR B 41 3.562 11.573 6.520 1.00 0.00 H > ATOM 1400 N ASP B 42 6.963 6.085 9.423 1.00 0.00 N > ATOM 1401 CA ASP B 42 5.733 5.601 10.062 1.00 0.00 C > ATOM 1402 C ASP B 42 5.847 5.608 11.591 1.00 0.00 C > ATOM 1403 O ASP B 42 4.920 6.045 12.280 1.00 0.00 O > ATOM 1404 CB ASP B 42 5.396 4.191 9.571 1.00 0.00 C > ATOM 1405 CG ASP B 42 4.929 4.124 8.123 1.00 0.00 C > ATOM 1406 OD1 ASP B 42 4.648 5.156 7.562 1.00 0.00 O > ATOM 1407 OD2 ASP B 42 5.006 3.067 7.544 1.00 0.00 O > ATOM 1408 H ASP B 42 7.435 5.493 8.753 1.00 0.00 H > ATOM 1409 HA ASP B 42 4.904 6.264 9.815 1.00 0.00 H > ATOM 1410 1HB ASP B 42 6.201 3.472 9.726 1.00 0.00 H > ATOM 1411 2HB ASP B 42 4.563 3.952 10.232 1.00 0.00 H > ATOM 1412 N GLN B 43 6.976 5.133 12.115 1.00 0.00 N > ATOM 1413 CA GLN B 43 7.194 5.110 13.566 1.00 0.00 C > ATOM 1414 C GLN B 43 7.211 6.523 14.165 1.00 0.00 C > ATOM 1415 O GLN B 43 6.677 6.740 15.259 1.00 0.00 O > ATOM 1416 CB GLN B 43 8.510 4.399 13.892 1.00 0.00 C > ATOM 1417 CG GLN B 43 8.481 2.897 13.661 1.00 0.00 C > ATOM 1418 CD GLN B 43 9.859 2.270 13.760 1.00 0.00 C > ATOM 1419 OE1 GLN B 43 10.867 2.970 13.882 1.00 0.00 O > ATOM 1420 NE2 GLN B 43 9.909 0.944 13.702 1.00 0.00 N > ATOM 1421 H GLN B 43 7.698 4.781 11.503 1.00 0.00 H > ATOM 1422 HA GLN B 43 6.371 4.585 14.050 1.00 0.00 H > ATOM 1423 1HB GLN B 43 9.277 4.853 13.265 1.00 0.00 H > ATOM 1424 2HB GLN B 43 8.729 4.605 14.939 1.00 0.00 H > ATOM 1425 1HG GLN B 43 7.775 2.237 14.165 1.00 0.00 H > ATOM 1426 2HG GLN B 43 8.213 2.977 12.607 1.00 0.00 H > ATOM 1427 1HE2 GLN B 43 10.790 0.472 13.762 1.00 0.00 H > ATOM 1428 2HE2 GLN B 43 9.066 0.415 13.599 1.00 0.00 H > ATOM 1429 N GLN B 44 7.797 7.479 13.446 1.00 0.00 N > ATOM 1430 CA GLN B 44 7.820 8.874 13.891 1.00 0.00 C > ATOM 1431 C GLN B 44 6.416 9.496 13.884 1.00 0.00 C > ATOM 1432 O GLN B 44 6.103 10.335 14.728 1.00 0.00 O > ATOM 1433 CB GLN B 44 8.753 9.699 13.001 1.00 0.00 C > ATOM 1434 CG GLN B 44 8.992 11.117 13.493 1.00 0.00 C > ATOM 1435 CD GLN B 44 9.717 11.152 14.824 1.00 0.00 C > ATOM 1436 OE1 GLN B 44 10.782 10.548 14.984 1.00 0.00 O > ATOM 1437 NE2 GLN B 44 9.143 11.859 15.792 1.00 0.00 N > ATOM 1438 H GLN B 44 8.238 7.234 12.571 1.00 0.00 H > ATOM 1439 HA GLN B 44 8.168 8.922 14.923 1.00 0.00 H > ATOM 1440 1HB GLN B 44 9.701 9.160 12.954 1.00 0.00 H > ATOM 1441 2HB GLN B 44 8.301 9.725 12.009 1.00 0.00 H > ATOM 1442 1HG GLN B 44 9.413 11.897 12.861 1.00 0.00 H > ATOM 1443 2HG GLN B 44 7.936 11.325 13.669 1.00 0.00 H > ATOM 1444 1HE2 GLN B 44 9.575 11.918 16.692 1.00 0.00 H > ATOM 1445 2HE2 GLN B 44 8.279 12.331 15.620 1.00 0.00 H > ATOM 1446 N GLN B 45 5.581 9.079 12.933 1.00 0.00 N > ATOM 1447 CA GLN B 45 4.217 9.601 12.793 1.00 0.00 C > ATOM 1448 C GLN B 45 3.254 8.936 13.780 1.00 0.00 C > ATOM 1449 O GLN B 45 2.277 9.551 14.207 1.00 0.00 O > ATOM 1450 CB GLN B 45 3.709 9.393 11.364 1.00 0.00 C > ATOM 1451 CG GLN B 45 4.457 10.198 10.315 1.00 0.00 C > ATOM 1452 CD GLN B 45 4.279 11.693 10.498 1.00 0.00 C > ATOM 1453 OE1 GLN B 45 3.154 12.193 10.578 1.00 0.00 O > ATOM 1454 NE2 GLN B 45 5.391 12.418 10.561 1.00 0.00 N > ATOM 1455 H GLN B 45 5.909 8.375 12.286 1.00 0.00 H > ATOM 1456 HA GLN B 45 4.207 10.665 13.027 1.00 0.00 H > ATOM 1457 1HB GLN B 45 3.803 8.328 11.148 1.00 0.00 H > ATOM 1458 2HB GLN B 45 2.656 9.672 11.360 1.00 0.00 H > ATOM 1459 1HG GLN B 45 5.502 10.014 10.064 1.00 0.00 H > ATOM 1460 2HG GLN B 45 3.824 9.873 9.488 1.00 0.00 H > ATOM 1461 1HE2 GLN B 45 5.335 13.410 10.681 1.00 0.00 H > ATOM 1462 2HE2 GLN B 45 6.284 11.972 10.490 1.00 0.00 H > ATOM 1463 N THR B 46 3.533 7.681 14.132 1.00 0.00 N > ATOM 1464 CA THR B 46 2.696 6.916 15.062 1.00 0.00 C > ATOM 1465 C THR B 46 3.149 7.105 16.506 1.00 0.00 C > ATOM 1466 O THR B 46 3.522 8.203 16.913 1.00 0.00 O > ATOM 1467 OXT THR B 46 3.145 6.174 17.263 1.00 0.00 O > ATOM 1468 CB THR B 46 2.707 5.413 14.729 1.00 0.00 C > ATOM 1469 OG1 THR B 46 2.163 5.207 13.419 1.00 0.00 O > ATOM 1470 CG2 THR B 46 1.884 4.635 15.743 1.00 0.00 C > ATOM 1471 H THR B 46 4.355 7.245 13.739 1.00 0.00 H > ATOM 1472 HA THR B 46 1.668 7.275 15.014 1.00 0.00 H > ATOM 1473 HB THR B 46 3.736 5.053 14.746 1.00 0.00 H > ATOM 1474 HG1 THR B 46 1.986 6.057 13.009 1.00 0.00 H > ATOM 1475 1HG2 THR B 46 1.904 3.574 15.490 1.00 0.00 H > ATOM 1476 2HG2 THR B 46 2.302 4.779 16.738 1.00 0.00 H > ATOM 1477 3HG2 THR B 46 0.856 4.991 15.725 1.00 0.00 H > TER > HETATM 1479 ZN ZN B 47 7.218 5.199 -8.627 1.00 0.00 ZN 1504,1551c1496,1543 < pose -512.865 61.7153 379.601 1.35051 24.3805 -19.3655 -210.87 1.53853 -79.587 -1.82012 0 -2.41127 0 2.32374 10.3491 4.5619 6.49395 145.079 -7.97261 1e-05 -7.2821 9.1313 -141 -336.649 < GLY:NtermProteinFull_1 -6.26454 0.73264 5.61933 0.00039 0 -0.14468 -0.58796 0 0 0 0 0 0 0 0 0 0.32102 0 0 0 1.59632 0 -3 -1.72748 < SER_2 -5.54523 2.52059 5.69634 0.00389 0.04638 -0.51255 -1.84535 0.02909 0 0 0 0 0 0 0 0 -0.00977 1.21878 0.59009 0 -0.57938 10.3484 -3 8.96127 < PRO_3 -7.41572 2.20559 4.90751 0.00502 0.08673 -0.30247 -0.43481 1.50944 0 0 0 0 0 0 0 0 0.07266 1.26854 -0.15079 0 -3.28642 9.94281 -3 5.40809 < LEU_4 -13.7957 1.5639 7.70354 0.03705 0.14848 -0.53925 -2.78826 0 0 0 0 0 0 0 0 0 0.14912 1.01694 -0.36775 0 3.32294 -0.35747 -3 -6.9065 < LEU_5 -14.0064 1.02409 7.46334 0.04045 0.36857 -0.64997 -2.84504 0 0 0 0 0 0 0 0 0 0.21248 1.94983 -0.55411 0 3.32294 -0.22227 -3 -6.89613 < GLN_6 -10.1028 0.45466 9.1862 0.01815 0.3838 -0.84703 -3.47749 0 0 0 0 0 0 0 0 0 0.12455 5.05465 0.00837 0 -2.9019 -0.3808 -3 -5.47966 < GLN_7 -11.9895 1.08845 9.19632 0.04803 1.6311 -0.42588 -3.21668 0 0 0 0 0 0 0 0 0 0.68935 5.0679 -0.20956 0 -2.9019 -0.32047 -3 -4.34288 < ILE_8 -18.3634 2.46261 6.85315 0.06385 0.14873 -0.45107 -3.78423 0 0 0 0 0 0 0 0 0 0.07725 1.00078 -0.70487 0 4.60748 -0.19805 -3 -11.2878 < HIS_9 -11.6353 0.2855 9.98957 0.01558 0.63138 -0.64384 -3.81505 0 0 0 0 0 0 0 0 0 0.0743 4.80843 0.13119 0 -0.6013 -0.18265 -3 -3.94217 < ASN_10 -11.939 0.46977 10.3288 0.01509 0.50432 -0.77092 -3.43523 0 0 0 0 0 0 0 0 0 -0.02284 2.20966 1.22215 0 -2.68052 0.21849 -3 -6.88029 < ILE_11 -18.4292 1.94775 6.45606 0.07488 0.22503 0.14533 -3.62298 0 0 0 0 0 0 0 0 0 0.18795 2.46547 -0.75359 0 4.60748 0.3434 -3 -9.3524 < HIS_D_12 -13.7484 3.89476 11.6591 0.01877 1.53495 0.11221 -12.0955 0 0 0 0 0 0 0.25202 0.07574 1.13346 0.20672 7.51764 -0.42568 0 -0.6013 0.13787 -3 -3.32762 < SER_13 -9.6562 0.46236 10.0272 0.00351 0.04832 -0.38394 -3.06043 0 0 0 0 0 0 0 0 0 0.14571 0.87328 0.598 0 -0.57938 0.18186 -3 -4.33972 < PHE_14 -14.4449 0.87267 7.93124 0.08643 0.48757 -0.42325 -4.21119 0 0 0 0 0 0 0 0 0 0.1389 5.82293 0.23556 0 2.43658 -0.25022 -3 -4.31768 < ILE_15 -18.5961 2.52776 7.16369 0.05482 0.14531 -0.32727 -4.45176 0 0 0 0 0 0 0 0 0 0.00864 0.19795 -0.73232 0 4.60748 -0.23292 -3 -12.6348 < HIS_D_16 -11.2994 3.45367 10.0613 0.01019 0.70739 -0.0208 -12.1904 0 0 0 0 0 0 0.34613 0.35724 0.14675 0.18791 6.85328 0.07759 0 -0.6013 -0.11624 -3 -5.02672 < GLN_17 -9.34098 0.47195 8.14882 0.01954 0.39442 -0.48688 -3.22065 0 0 0 0 0 0 0 0 0 0.15988 4.8884 0.16714 0 -2.9019 -0.1052 -3 -4.80547 < ALA_18 -12.4064 0.66441 6.34625 0.00267 0 -0.02112 -4.73237 0 0 0 0 0 0 0 0 0 0.17621 0 -0.59377 0 2.64936 -0.4604 -3 -11.3752 < LYS_19 -10.2586 0.98859 7.29974 0.02893 0.28794 -0.53629 -2.71275 0 0 0 0 0 0 0 0 0 0.13402 4.63557 0.08848 0 -1.42916 -0.57539 -3 -5.04894 < ALA_20 -4.75817 0.26077 4.01295 0.00283 0 -0.10264 -1.05053 0 0 0 0 0 0 0 0 0 0.04881 0 -0.76357 0 2.64936 -0.67936 -3 -3.37955 < ALA_21 -6.00692 0.36657 3.88922 0.00365 0 -0.33583 -1.26777 0 0 0 0 0 0 0 0 0 -0.10503 0 0.07818 0 2.64936 -1.13791 -3 -4.86648 < GLY_22 -4.09141 0.21763 4.37135 0.00029 0 -0.21487 -2.33976 0 0 0 0 0 0 0 0 0 -0.14307 0 -2.02522 0 1.59632 -1.25863 -3 -6.88738 < ARG_23 -11.5151 0.74526 8.75064 0.0259 0.69925 -0.49478 -3.81233 0 0 0 0 0 0 0 0 0 0.02081 3.92956 -0.00916 0 -0.18948 0.00362 -3 -4.84585 < MET_24 -7.69135 0.41297 6.04826 0.02611 0.20117 -0.39414 -1.96933 0 0 0 0 0 0 0 0 0 0.15839 2.02074 -0.20987 0 3.3147 0.48176 -3 -0.60058 < ASP_25 -5.35672 0.1857 6.04248 0.00814 0.58177 -0.43767 -1.66009 0 0 0 0 0 0 0 0 0 0.10398 2.58908 0.43057 0 -4.29148 -0.45217 -3 -5.2564 < GLU_26 -11.0929 0.9626 9.14046 0.01624 1.70316 -1.06453 -2.88722 0 0 0 0 0 0 0 0 0 0.43609 5.69109 -0.52407 0 -5.44906 -0.52372 -3 -6.59184 < VAL_27 -14.8307 1.50955 6.00322 0.04478 0.11034 -0.19693 -3.25563 0 0 0 0 0 0 0 0 0 -0.03356 0.61212 -0.52068 0 5.28538 -0.37391 -3 -8.64608 < ARG_28 -9.019 0.31962 8.48671 0.02014 0.36814 -0.74172 -2.67789 0 0 0 0 0 0 0 0 0 0.2015 3.17378 -0.03545 0 -0.18948 -0.27291 -3 -3.36656 < THR_29 -8.52543 0.20746 8.6171 0.02298 0.12894 -0.77468 -2.79378 0 0 0 0 0 0 0 0 0 0.05635 -0.00373 -0.04523 0 2.3035 -0.07792 -3 -3.88446 < LEU_30 -17.7663 2.25255 7.054 0.03256 0.15607 -0.44036 -4.03952 0 0 0 0 0 0 0 0 0 0.05983 0.46477 -0.57595 0 3.32294 -0.20144 -3 -12.6808 < GLN_31 -10.7563 0.62858 8.52149 0.02093 1.72162 -0.43472 -4.02037 0 0 0 0 0 0 0 0 0 1.02505 4.65617 -0.19967 0 -2.9019 -0.53587 -3 -5.27494 < GLU_32 -9.38642 0.58439 9.87335 0.01415 0.54006 -0.96309 -3.07447 0 0 0 0 0 0 0 0 0 0.16483 5.10144 -0.40157 0 -5.44906 -0.64446 -3 -6.64086 < ASN_33 -11.8127 0.40154 9.41845 0.01442 0.50256 -0.80135 -3.13433 0 0 0 0 0 0 0 0 0 -0.06586 2.02357 1.05634 0 -2.68052 -0.22935 -3 -8.30719 < LEU_34 -15.3125 1.58556 7.00379 0.03566 0.34211 -0.0766 -4.00943 0 0 0 0 0 0 0 0 0 -0.01112 0.8228 -0.39116 0 3.32294 0.22169 -3 -9.46621 < HIS_D_35 -10.2843 1.96209 9.97015 0.01556 0.97061 -0.05215 -7.12211 0 0 0 0 0 0 0.11506 0.33382 0.41885 0.06555 13.7983 -0.14559 0 -0.6013 -0.01796 -3 6.42658 < GLN_36 -8.81588 0.41533 8.75072 0.01308 0.41149 -0.73057 -3.26339 0 0 0 0 0 0 0 0 0 0.38282 5.5024 -0.0495 0 -2.9019 -0.18744 -3 -3.47284 < LEU_37 -14.3872 1.45605 7.84349 0.03457 0.15689 -0.62436 -4.46832 0 0 0 0 0 0 0 0 0 -0.07763 0.5053 -0.55101 0 3.32294 -0.38441 -3 -10.1737 < GLN_38 -13.5246 0.71066 12.0019 0.01978 1.66605 -0.20447 -5.15248 0 0 0 0 -1.20563 0 0 0 0 0.1814 4.81101 -0.11819 0 -2.9019 -0.44561 -3 -7.16214 < HIS_D_39 -11.7001 2.34266 11.2992 0.01247 0.66226 -0.45846 -7.80714 0 0 0 0 0 0 0.16456 0.00025 0.08213 0.3035 7.82428 -0.01867 0 -0.6013 -0.31683 -3 -1.21123 < GLU_40 -10.1604 0.33806 8.85596 0.01588 0.70062 -0.69042 -2.45656 0 0 0 0 0 0 0 0 0 0.27356 5.07623 -0.09131 0 -5.44906 -0.2376 -3 -6.82506 < TYR_41 -19.6337 1.59707 10.1369 0.04502 0.54451 -0.38659 -4.344 0 0 0 0 0 0 0 0 0 -0.00784 2.60032 -0.77191 1e-05 1.16446 -0.00518 -3 -12.061 < ASP_42 -11.9777 0.46594 14.5477 0.00789 0.5971 -0.18811 -6.27875 0 0 0 0 -1.20563 0 0 0 0 0.00387 2.77994 0.48129 0 -4.29148 0.20952 -3 -7.84835 < GLN_43 -8.05647 0.67798 8.41269 0.01831 0.39308 -0.99323 -1.07688 0 0 0 0 0 0 0 0 0 0.3573 5.03104 -0.38403 0 -2.9019 -0.20891 -3 -1.73102 < GLN_44 -6.86984 0.27089 6.803 0.04798 1.76507 -0.5101 -0.54277 0 0 0 0 0 0 0 0 0 -0.09722 4.78439 -0.5006 0 -2.9019 -0.65441 -3 -1.40551 < GLN_45 -8.88163 0.44985 7.61389 0.01756 1.39533 -0.80304 -1.1949 0 0 0 0 0 0 0 0 0 0.15758 4.34781 -0.31272 0 -2.9019 -0.52672 -3 -3.63889 < THR:CtermProteinFull_46 -4.13335 0.07999 6.2011 0.26642 0.28188 -0.40296 0.31414 0 0 0 0 0 0 0 0 0 0 0.0867 0 0 2.3035 -0.18331 -3 1.8141 < ZN_47 -1.75238 7.30058 2.11584 0 0 0.25715 -29.991 0 0 0 0 0 0 0.88224 0.76831 1.77997 0 0 0 0 0 0 -3 -21.6393 --- > pose -522.15 65.8697 376.975 1.47327 24.9703 -19.4236 -217.652 0.45238 -79.6009 -1.42431 0 -2.93073 0 1.56546 5.20072 0.74644 7.5478 136.526 -9.89091 8e-05 -8.75484 8.41655 -138 -370.084 > GLY:NtermProteinFull_1 -6.20302 0.70132 5.68073 0.00042 0 -0.00707 -0.79938 0 0 0 0 0 0 0 0 0 0.09426 0 0 0 1.59632 0 -3 -1.93642 > SER_2 -5.94901 2.87399 6.06329 0.00449 0.048 -0.55575 -1.96595 0.03344 0 0 0 0 0 0 0 0 -0.02758 1.68174 0.53658 0 -0.57938 10.3484 -3 9.51225 > PRO_3 -7.78976 2.47644 5.0146 0.00493 0.08566 -0.32549 -0.31268 0.41893 0 0 0 0 0 0 0 0 -0.1752 1.22111 -0.56108 0 -3.28642 9.89089 -3 3.66193 > LEU_4 -14.4626 1.68034 7.72826 0.0352 0.14565 -0.45879 -2.64176 0 0 0 0 0 0 0 0 0 0.53852 0.64094 -0.39418 0 3.32294 -0.39266 -3 -7.25816 > LEU_5 -12.1183 0.89139 6.3498 0.04415 0.36042 -0.19741 -3.17427 0 0 0 0 0 0 0 0 0 0.15644 2.48467 -0.58993 0 3.32294 -0.24821 -3 -5.71834 > GLN_6 -10.6998 0.65154 9.57234 0.02036 0.40644 -0.88665 -4.18329 0 0 0 0 0 0 0 0 0 0.24609 5.09101 -0.0881 0 -2.9019 -0.48794 -3 -6.2599 > GLN_7 -11.9364 1.02943 8.52484 0.03764 1.51327 -0.42221 -2.82528 0 0 0 0 0 0 0 0 0 0.99749 5.38533 -0.23473 0 -2.9019 -0.41695 -3 -4.2495 > ILE_8 -17.1148 2.04406 6.75164 0.06254 0.14641 -0.42531 -3.36411 0 0 0 0 0 0 0 0 0 0.19161 0.3533 -0.78441 0 4.60748 -0.22224 -3 -10.7539 > HIS_9 -9.61728 0.34888 9.8165 0.00872 1.24396 -0.29706 -4.88104 0 0 0 0 0 0 0 0 0 0.04058 2.42956 -0.46551 0 -0.6013 0.2058 -3 -4.76819 > ASN_10 -12.0888 0.47207 10.0994 0.01549 0.5013 -0.82236 -3.91474 0 0 0 0 0 0 0 0 0 -0.01738 2.2875 1.18577 0 -2.68052 0.74891 -3 -7.21337 > ILE_11 -18.4124 2.22712 6.0638 0.07565 0.22684 0.08267 -3.55367 0 0 0 0 0 0 0 0 0 0.09851 2.47776 -0.67499 0 4.60748 0.47616 -3 -9.30507 > HIS_D_12 -13.9808 3.4429 11.2533 0.01433 1.47307 -0.20927 -12.7161 0 0 0 0 0 0 0.19995 0.00329 0.27282 0.23619 7.92902 -0.42168 0 -0.6013 0.14954 -3 -5.95464 > SER_13 -9.54012 0.51899 10.0727 0.00305 0.04833 -0.84123 -4.87035 0 0 0 0 0 0 0 0 0 -0.00079 0.868 0.59141 0 -0.57938 0.19316 -3 -6.53621 > PHE_14 -15.2474 0.93534 7.99242 0.08336 0.50673 -0.43046 -4.08107 0 0 0 0 0 0 0 0 0 -0.02768 6.01608 0.41244 0 2.43658 -0.28108 -3 -4.68479 > ILE_15 -19.5163 3.41852 7.28855 0.05227 0.14085 -0.54522 -4.35906 0 0 0 0 0 0 0 0 0 -0.06 0.17395 -0.81002 0 4.60748 -0.1147 -3 -12.7236 > HIS_D_16 -11.8267 3.05843 10.607 0.00861 0.75109 0.05904 -13.2396 0 0 0 0 0 0 0.19219 0.11547 0.03646 0.40815 4.5809 0.21628 0 -0.6013 -0.10755 -3 -8.74153 > GLN_17 -9.87237 0.54225 8.36539 0.02018 0.39951 -0.49685 -3.31132 0 0 0 0 0 0 0 0 0 0.51588 4.78099 0.01273 0 -2.9019 -0.34725 -3 -5.29276 > ALA_18 -12.7395 0.72157 6.58842 0.00267 0 -0.04166 -4.71986 0 0 0 0 0 0 0 0 0 0.18978 0 -0.48196 0 2.64936 -0.53588 -3 -11.3671 > GLN_19 -12.2001 1.23802 8.51775 0.01428 0.38331 -0.60634 -3.43125 0 0 0 0 0 0 0 0 0 0.17596 4.57417 0.12553 0 -2.9019 -0.45587 0 -4.56641 > ALA_20 -4.83026 0.26673 4.09185 0.00283 0 -0.08741 -1.27214 0 0 0 0 0 0 0 0 0 0.06076 0 -0.70899 0 2.64936 -0.61548 -3 -3.44275 > ALA_21 -6.00355 0.41585 3.78543 0.00351 0 -0.31106 -0.98136 0 0 0 0 0 0 0 0 0 0.06016 0 0.0454 0 2.64936 -1.15508 -3 -4.49134 > GLY_22 -4.4708 0.3254 4.66109 0.00021 0 -0.25319 -3.02386 0 0 0 0 0 0 0 0 0 0.0354 0 -2.49554 0 1.59632 -1.44604 -3 -8.07102 > ARG_23 -11.5042 0.83858 8.5256 0.02486 0.7034 -0.108 -3.69524 0 0 0 0 0 0 0 0 0 0.10582 3.50648 0.17246 0 -0.18948 -0.38327 -3 -5.00294 > MET_24 -9.32573 0.8436 5.80719 0.03591 0.23017 -0.46644 -2.29295 0 0 0 0 0 0 0 0 0 0.52602 2.38458 -0.31307 0 3.3147 0.21857 -3 -2.03747 > ASP_25 -5.24212 0.25484 5.98409 0.008 0.57881 -0.38953 -1.65743 0 0 0 0 0 0 0 0 0 0.22022 2.59159 0.48092 0 -4.29148 -0.46282 -3 -4.92492 > GLU_26 -11.2501 0.9337 9.13688 0.01498 1.6513 -0.71438 -3.36652 0 0 0 0 0 0 0 0 0 0.32774 5.57567 -0.57189 0 -5.44906 -0.48971 -3 -7.20141 > VAL_27 -16.4005 2.02092 5.36805 0.04055 0.10839 -0.13713 -2.80093 0 0 0 0 0 0 0 0 0 0.05381 -0.01332 -0.45034 0 5.28538 -0.31157 -3 -10.2367 > ARG_28 -8.40694 0.28292 8.26719 0.02082 0.37548 -0.84733 -2.43181 0 0 0 0 0 0 0 0 0 0.10106 3.43214 -0.02608 0 -0.18948 -0.17702 -3 -2.59906 > THR_29 -8.41613 0.19466 8.43794 0.02404 0.12937 -0.7872 -2.61921 0 0 0 0 0 0 0 0 0 0.01635 0.05466 -0.05188 0 2.3035 -0.03336 -3 -3.74727 > LEU_30 -17.8377 2.14153 6.98623 0.02854 0.14966 -0.45846 -4.237 0 0 0 0 0 0 0 0 0 0.01044 0.97171 -0.54938 0 3.32294 -0.15582 -3 -12.6273 > GLN_31 -10.8225 0.89111 8.2829 0.04816 1.61877 -0.60365 -4.01925 0 0 0 0 0 0 0 0 0 0.76913 4.8407 -0.18988 0 -2.9019 -0.5102 -3 -5.59658 > GLU_32 -9.22572 0.65024 9.609 0.01391 0.53724 -0.85903 -2.98086 0 0 0 0 0 0 0 0 0 0.18357 5.09348 -0.43049 0 -5.44906 -0.64515 -3 -6.50287 > ASN_33 -12.0943 0.61603 9.71557 0.01518 0.50404 -0.82093 -3.28533 0 0 0 0 0 0 0 0 0 -0.06253 2.01612 1.09652 0 -2.68052 -0.20781 -3 -8.18791 > LEU_34 -16.0515 1.94784 6.41422 0.03681 0.33647 -0.19551 -3.52178 0 0 0 0 0 0 0 0 0 0.00955 1.2327 -0.41075 0 3.32294 0.17792 -3 -9.70111 > HIS_D_35 -9.91464 1.63438 9.54609 0.08841 1.30086 0.08551 -6.86979 0 0 0 0 0 0 0.11265 0.09489 0.01053 0.19238 7.25906 0.00151 0 -0.6013 -0.16644 -3 -0.22592 > GLN_36 -9.6793 0.64198 9.15372 0.02211 0.42655 -0.69204 -3.67226 0 0 0 0 0 0 0 0 0 0.44925 5.08047 -0.27801 0 -2.9019 -0.39865 -3 -4.84809 > LEU_37 -15.5841 1.99707 7.66509 0.02851 0.15773 -0.61049 -4.37669 0 0 0 0 0 0 0 0 0 0.19268 1.25276 -0.5549 0 3.32294 -0.58744 -3 -10.0968 > GLN_38 -12.9951 0.61349 11.9641 0.04081 1.5621 -0.4078 -4.81448 0 0 0 0 -1.46536 0 0 0 0 0.15193 4.97151 -0.26993 0 -2.9019 -0.56596 -3 -7.11659 > HIS_D_39 -12.1142 2.21155 11.6124 0.01317 0.6576 -0.47874 -7.66201 0 0 0 0 0 0 0.08326 0.0836 0.02143 -0.00209 8.07917 -0.29658 0 -0.6013 -0.20951 -3 -1.60219 > GLU_40 -9.90737 0.35804 8.18669 0.01446 0.69994 -0.78535 -2.60605 0 0 0 0 0 0 0 0 0 0.37757 5.65791 -0.2848 0 -5.44906 -0.33616 -3 -7.07419 > TYR_41 -19.5618 1.60993 9.80657 0.04326 0.51002 -0.63255 -4.12068 0 0 0 0 0 0 0 0 0 -0.00227 2.64933 -0.72338 8e-05 1.16446 -0.21285 -3 -12.4699 > ASP_42 -11.8807 0.39293 14.5257 0.00811 0.58276 -0.11746 -6.13892 0 0 0 0 -1.46536 0 0 0 0 0.02278 2.7255 0.47886 0 -4.29148 0.21391 -3 -7.94336 > GLN_43 -8.16338 0.54701 8.45414 0.02076 0.41644 -1.0985 -0.97631 0 0 0 0 0 0 0 0 0 0.23054 5.10743 -0.34804 0 -2.9019 -0.23883 -3 -1.95065 > GLN_44 -7.18942 0.23754 6.71612 0.04691 1.77096 -0.37727 -0.52359 0 0 0 0 0 0 0 0 0 -0.06961 4.54874 -0.48232 0 -2.9019 -0.62151 -3 -1.84535 > GLN_45 -8.63647 0.37941 7.37108 0.01551 1.29877 -0.83193 -1.41784 0 0 0 0 0 0 0 0 0 0.00633 4.43282 -0.30449 0 -2.9019 -0.49557 -3 -4.08427 > THR:CtermProteinFull_46 -4.18729 0.08833 6.28485 0.30457 0.28263 -0.4354 0.22301 0 0 0 0 0 0 0 0 0 0 0.09839 0 0 2.3035 -0.17011 -3 1.79247 > ZN_47 -1.76309 7.8985 2.13831 0 0 0.25438 -30.7249 0 0 0 0 0 0 0.58683 0.2981 0.34126 0 0 0 0 0 0 -3 -23.9706 1556c1548 < LEU_52 -0.11399 0 -0.00591 0 0 0.00911 0.0359 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.07488 --- > LEU_52 -0.58871 0.03533 -0.10569 0 0 0.03647 0.0389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.58371 1559,1560c1551,1552 < ILE_55 -0.00043 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.00043 < HIS_56 -0.54612 0 0.67519 0 0 -0.12377 -0.12064 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.11533 --- > ILE_55 -0.112 0 -0.00496 0 0 -0.03523 0.00424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.14795 > HIS_56 -0.36742 0 0.45955 0 0 -0.0028 0.14067 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.23 1563c1555 < HIS_D_59 -0.73666 6e-05 0.75364 0 0 0.29084 0.22936 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.53723 --- > HIS_D_59 -1.29314 0.01032 1.22219 0 0 0.21382 0.05492 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.20811 1566,1567c1558,1559 < ILE_62 -7e-05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -7e-05 < HIS_D_63 -0.7681 0.00076 0.73962 0 0 0.30872 0.31643 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.59742 --- > ILE_62 -0.00176 0 0 0 0 0 0.00249 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00074 > HIS_D_63 -0.70717 0 0.68846 0 0 0.31649 0.30924 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.60702 1570c1562 < LYS_66 -0.01177 0 0.00941 0 0 -0.00382 0.0598 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05362 --- > GLN_66 -0.00594 0 0 0 0 0 0.01452 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00857 1582c1574 < GLN_78 -3e-05 0 0 0 0 0 0.00572 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0057 --- > GLN_78 -0.00408 0 0.00423 0 0 -0.00189 0.01799 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.01626 1585,1586c1577,1578 < LEU_81 -6e-05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -6e-05 < HIS_D_82 -1.01616 1.27534 1.05717 0 0 0.33954 -4.63825 0 0 0 0 0 0 0.11645 0.33504 0.4178 0 0 0 0 0 0 0 -2.11308 --- > LEU_81 -0.00591 0 0 0 0 0 0.00746 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00155 > HIS_D_82 -1.04891 1.28563 1.06571 0 0 0.34693 -4.94993 0 0 0 0 0 0 0.11099 0.09517 0.01037 0 0 0 0 0 0 0 -3.08404 1589,1590c1581,1582 < GLN_85 -0.11635 0 0.1124 0 0 -0.01778 0.07559 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.05387 < HIS_D_86 -1.01784 1.17846 1.03282 0 0 0.37732 -4.69319 0 0 0 0 0 0 0.16765 0.00029 0.08196 0 0 0 0 0 0 0 -2.87254 --- > GLN_85 -0.39209 0 0.18014 0 0 -0.09032 0.17869 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.12357 > HIS_D_86 -1.16504 1.36181 1.1326 0 0 0.32149 -4.77756 0 0 0 0 0 0 0.0837 0.08416 0.02162 0 0 0 0 0 0 0 -2.93722 1592,1593c1584,1585 < TYR_88 -0.18207 0 0.03698 0 0 0.0261 0.06662 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05237 < ASP_89 -0.40006 0 0.65931 0 0 -0.16658 -0.32261 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.22994 --- > TYR_88 -0.50287 0.03525 -0.04364 0 0 0.02294 0.0226 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.46573 > ASP_89 -0.51554 0 0.72127 0 0 -0.00559 -0.07131 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.12882 1596,1598c1588,1590 < GLN_92 -0.03167 0 -9e-05 0 0 0 0.02626 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 < THR:CtermProteinFull_93 -0.00016 0 0 0 0 0 0.0025 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00234 < ZN_94 -0.58637 2.46105 0.70674 0 0 0.08573 -10.0088 0 0 0 0 0 0 0.27963 0.33407 0.50098 0 0 0 0 0 0 0 -6.22698 --- > GLN_92 -0.03012 0 0.00125 0 0 -0.00292 -0.00953 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.04132 > THR:CtermProteinFull_93 -0.04471 0 0.08624 0 0 -0.03274 -0.0608 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05201 > ZN_94 -0.59056 2.63468 0.7188 0 0 0.08405 -10.3634 0 0 0 0 0 0 0.1959 0.17849 0.03196 0 0 0 0 0 0 0 -7.11012 1609c1601 < TOTAL_SCORE: -336.649 --- > TOTAL_SCORE: -370.084 1611,1658c1603,1650 < TOTAL_WTD: fa_atr: -512.865 fa_rep: 61.715 fa_sol: 379.601 fa_intra_rep: 1.351 fa_intra_sol_xover4: 24.381 lk_ball_wtd: -19.365 fa_elec: -210.870 pro_close: 1.539 hbond_sr_bb: -79.587 hbond_lr_bb: -1.820 hbond_bb_sc: 0.000 hbond_sc: -2.411 dslf_fa13: 0.000 atom_pair_constraint: 2.324 angle_constraint: 10.349 dihedral_constraint: 4.562 omega: 6.494 fa_dun: 145.079 p_aa_pp: -7.973 yhh_planarity: 0.000 ref: -7.282 rama_prepro: 9.131 res_type_constraint: -141.000 < RSD_WTD: 1 fa_atr: -6.265 fa_rep: 0.733 fa_sol: 5.619 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.145 fa_elec: -0.588 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.321 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.596 rama_prepro: 0.000 res_type_constraint: -3.000 < RSD_WTD: 2 fa_atr: -5.545 fa_rep: 2.521 fa_sol: 5.696 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.046 lk_ball_wtd: -0.513 fa_elec: -1.845 pro_close: 0.029 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.010 fa_dun: 1.219 p_aa_pp: 0.590 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 10.348 res_type_constraint: -3.000 < RSD_WTD: 3 fa_atr: -7.416 fa_rep: 2.206 fa_sol: 4.908 fa_intra_rep: 0.005 fa_intra_sol_xover4: 0.087 lk_ball_wtd: -0.302 fa_elec: -0.435 pro_close: 1.509 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.073 fa_dun: 1.269 p_aa_pp: -0.151 yhh_planarity: 0.000 ref: -3.286 rama_prepro: 9.943 res_type_constraint: -3.000 < RSD_WTD: 4 fa_atr: -13.796 fa_rep: 1.564 fa_sol: 7.704 fa_intra_rep: 0.037 fa_intra_sol_xover4: 0.148 lk_ball_wtd: -0.539 fa_elec: -2.788 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.149 fa_dun: 1.017 p_aa_pp: -0.368 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.357 res_type_constraint: -3.000 < RSD_WTD: 5 fa_atr: -14.006 fa_rep: 1.024 fa_sol: 7.463 fa_intra_rep: 0.040 fa_intra_sol_xover4: 0.369 lk_ball_wtd: -0.650 fa_elec: -2.845 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.212 fa_dun: 1.950 p_aa_pp: -0.554 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.222 res_type_constraint: -3.000 < RSD_WTD: 6 fa_atr: -10.103 fa_rep: 0.455 fa_sol: 9.186 fa_intra_rep: 0.018 fa_intra_sol_xover4: 0.384 lk_ball_wtd: -0.847 fa_elec: -3.477 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.125 fa_dun: 5.055 p_aa_pp: 0.008 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.381 res_type_constraint: -3.000 < RSD_WTD: 7 fa_atr: -11.990 fa_rep: 1.088 fa_sol: 9.196 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.631 lk_ball_wtd: -0.426 fa_elec: -3.217 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.689 fa_dun: 5.068 p_aa_pp: -0.210 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.320 res_type_constraint: -3.000 < RSD_WTD: 8 fa_atr: -18.363 fa_rep: 2.463 fa_sol: 6.853 fa_intra_rep: 0.064 fa_intra_sol_xover4: 0.149 lk_ball_wtd: -0.451 fa_elec: -3.784 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.077 fa_dun: 1.001 p_aa_pp: -0.705 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.198 res_type_constraint: -3.000 < RSD_WTD: 9 fa_atr: -11.635 fa_rep: 0.286 fa_sol: 9.990 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.631 lk_ball_wtd: -0.644 fa_elec: -3.815 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.074 fa_dun: 4.808 p_aa_pp: 0.131 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.183 res_type_constraint: -3.000 < RSD_WTD: 10 fa_atr: -11.939 fa_rep: 0.470 fa_sol: 10.329 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.504 lk_ball_wtd: -0.771 fa_elec: -3.435 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.023 fa_dun: 2.210 p_aa_pp: 1.222 yhh_planarity: 0.000 ref: -2.681 rama_prepro: 0.218 res_type_constraint: -3.000 < RSD_WTD: 11 fa_atr: -18.429 fa_rep: 1.948 fa_sol: 6.456 fa_intra_rep: 0.075 fa_intra_sol_xover4: 0.225 lk_ball_wtd: 0.145 fa_elec: -3.623 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.188 fa_dun: 2.465 p_aa_pp: -0.754 yhh_planarity: 0.000 ref: 4.607 rama_prepro: 0.343 res_type_constraint: -3.000 < RSD_WTD: 12 fa_atr: -13.748 fa_rep: 3.895 fa_sol: 11.659 fa_intra_rep: 0.019 fa_intra_sol_xover4: 1.535 lk_ball_wtd: 0.112 fa_elec: -12.095 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.252 angle_constraint: 0.076 dihedral_constraint: 1.133 omega: 0.207 fa_dun: 7.518 p_aa_pp: -0.426 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.138 res_type_constraint: -3.000 < RSD_WTD: 13 fa_atr: -9.656 fa_rep: 0.462 fa_sol: 10.027 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.384 fa_elec: -3.060 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.146 fa_dun: 0.873 p_aa_pp: 0.598 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 0.182 res_type_constraint: -3.000 < RSD_WTD: 14 fa_atr: -14.445 fa_rep: 0.873 fa_sol: 7.931 fa_intra_rep: 0.086 fa_intra_sol_xover4: 0.488 lk_ball_wtd: -0.423 fa_elec: -4.211 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.139 fa_dun: 5.823 p_aa_pp: 0.236 yhh_planarity: 0.000 ref: 2.437 rama_prepro: -0.250 res_type_constraint: -3.000 < RSD_WTD: 15 fa_atr: -18.596 fa_rep: 2.528 fa_sol: 7.164 fa_intra_rep: 0.055 fa_intra_sol_xover4: 0.145 lk_ball_wtd: -0.327 fa_elec: -4.452 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.009 fa_dun: 0.198 p_aa_pp: -0.732 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.233 res_type_constraint: -3.000 < RSD_WTD: 16 fa_atr: -11.299 fa_rep: 3.454 fa_sol: 10.061 fa_intra_rep: 0.010 fa_intra_sol_xover4: 0.707 lk_ball_wtd: -0.021 fa_elec: -12.190 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.346 angle_constraint: 0.357 dihedral_constraint: 0.147 omega: 0.188 fa_dun: 6.853 p_aa_pp: 0.078 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.116 res_type_constraint: -3.000 < RSD_WTD: 17 fa_atr: -9.341 fa_rep: 0.472 fa_sol: 8.149 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.394 lk_ball_wtd: -0.487 fa_elec: -3.221 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.160 fa_dun: 4.888 p_aa_pp: 0.167 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.105 res_type_constraint: -3.000 < RSD_WTD: 18 fa_atr: -12.406 fa_rep: 0.664 fa_sol: 6.346 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.021 fa_elec: -4.732 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.176 fa_dun: 0.000 p_aa_pp: -0.594 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.460 res_type_constraint: -3.000 < RSD_WTD: 19 fa_atr: -10.259 fa_rep: 0.989 fa_sol: 7.300 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.288 lk_ball_wtd: -0.536 fa_elec: -2.713 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.134 fa_dun: 4.636 p_aa_pp: 0.088 yhh_planarity: 0.000 ref: -1.429 rama_prepro: -0.575 res_type_constraint: -3.000 < RSD_WTD: 20 fa_atr: -4.758 fa_rep: 0.261 fa_sol: 4.013 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.103 fa_elec: -1.051 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.049 fa_dun: 0.000 p_aa_pp: -0.764 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.679 res_type_constraint: -3.000 < RSD_WTD: 21 fa_atr: -6.007 fa_rep: 0.367 fa_sol: 3.889 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.336 fa_elec: -1.268 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.105 fa_dun: 0.000 p_aa_pp: 0.078 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -1.138 res_type_constraint: -3.000 < RSD_WTD: 22 fa_atr: -4.091 fa_rep: 0.218 fa_sol: 4.371 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.215 fa_elec: -2.340 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.143 fa_dun: 0.000 p_aa_pp: -2.025 yhh_planarity: 0.000 ref: 1.596 rama_prepro: -1.259 res_type_constraint: -3.000 < RSD_WTD: 23 fa_atr: -11.515 fa_rep: 0.745 fa_sol: 8.751 fa_intra_rep: 0.026 fa_intra_sol_xover4: 0.699 lk_ball_wtd: -0.495 fa_elec: -3.812 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.021 fa_dun: 3.930 p_aa_pp: -0.009 yhh_planarity: 0.000 ref: -0.189 rama_prepro: 0.004 res_type_constraint: -3.000 < RSD_WTD: 24 fa_atr: -7.691 fa_rep: 0.413 fa_sol: 6.048 fa_intra_rep: 0.026 fa_intra_sol_xover4: 0.201 lk_ball_wtd: -0.394 fa_elec: -1.969 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.158 fa_dun: 2.021 p_aa_pp: -0.210 yhh_planarity: 0.000 ref: 3.315 rama_prepro: 0.482 res_type_constraint: -3.000 < RSD_WTD: 25 fa_atr: -5.357 fa_rep: 0.186 fa_sol: 6.042 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.582 lk_ball_wtd: -0.438 fa_elec: -1.660 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.104 fa_dun: 2.589 p_aa_pp: 0.431 yhh_planarity: 0.000 ref: -4.291 rama_prepro: -0.452 res_type_constraint: -3.000 < RSD_WTD: 26 fa_atr: -11.093 fa_rep: 0.963 fa_sol: 9.140 fa_intra_rep: 0.016 fa_intra_sol_xover4: 1.703 lk_ball_wtd: -1.065 fa_elec: -2.887 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.436 fa_dun: 5.691 p_aa_pp: -0.524 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.524 res_type_constraint: -3.000 < RSD_WTD: 27 fa_atr: -14.831 fa_rep: 1.510 fa_sol: 6.003 fa_intra_rep: 0.045 fa_intra_sol_xover4: 0.110 lk_ball_wtd: -0.197 fa_elec: -3.256 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.034 fa_dun: 0.612 p_aa_pp: -0.521 yhh_planarity: 0.000 ref: 5.285 rama_prepro: -0.374 res_type_constraint: -3.000 < RSD_WTD: 28 fa_atr: -9.019 fa_rep: 0.320 fa_sol: 8.487 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.368 lk_ball_wtd: -0.742 fa_elec: -2.678 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.202 fa_dun: 3.174 p_aa_pp: -0.035 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.273 res_type_constraint: -3.000 < RSD_WTD: 29 fa_atr: -8.525 fa_rep: 0.207 fa_sol: 8.617 fa_intra_rep: 0.023 fa_intra_sol_xover4: 0.129 lk_ball_wtd: -0.775 fa_elec: -2.794 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.056 fa_dun: -0.004 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.078 res_type_constraint: -3.000 < RSD_WTD: 30 fa_atr: -17.766 fa_rep: 2.253 fa_sol: 7.054 fa_intra_rep: 0.033 fa_intra_sol_xover4: 0.156 lk_ball_wtd: -0.440 fa_elec: -4.040 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.060 fa_dun: 0.465 p_aa_pp: -0.576 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.201 res_type_constraint: -3.000 < RSD_WTD: 31 fa_atr: -10.756 fa_rep: 0.629 fa_sol: 8.521 fa_intra_rep: 0.021 fa_intra_sol_xover4: 1.722 lk_ball_wtd: -0.435 fa_elec: -4.020 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 1.025 fa_dun: 4.656 p_aa_pp: -0.200 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.536 res_type_constraint: -3.000 < RSD_WTD: 32 fa_atr: -9.386 fa_rep: 0.584 fa_sol: 9.873 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.540 lk_ball_wtd: -0.963 fa_elec: -3.074 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.165 fa_dun: 5.101 p_aa_pp: -0.402 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.644 res_type_constraint: -3.000 < RSD_WTD: 33 fa_atr: -11.813 fa_rep: 0.402 fa_sol: 9.418 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.503 lk_ball_wtd: -0.801 fa_elec: -3.134 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.066 fa_dun: 2.024 p_aa_pp: 1.056 yhh_planarity: 0.000 ref: -2.681 rama_prepro: -0.229 res_type_constraint: -3.000 < RSD_WTD: 34 fa_atr: -15.312 fa_rep: 1.586 fa_sol: 7.004 fa_intra_rep: 0.036 fa_intra_sol_xover4: 0.342 lk_ball_wtd: -0.077 fa_elec: -4.009 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.011 fa_dun: 0.823 p_aa_pp: -0.391 yhh_planarity: 0.000 ref: 3.323 rama_prepro: 0.222 res_type_constraint: -3.000 < RSD_WTD: 35 fa_atr: -10.284 fa_rep: 1.962 fa_sol: 9.970 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.971 lk_ball_wtd: -0.052 fa_elec: -7.122 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.115 angle_constraint: 0.334 dihedral_constraint: 0.419 omega: 0.066 fa_dun: 13.798 p_aa_pp: -0.146 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.018 res_type_constraint: -3.000 < RSD_WTD: 36 fa_atr: -8.816 fa_rep: 0.415 fa_sol: 8.751 fa_intra_rep: 0.013 fa_intra_sol_xover4: 0.411 lk_ball_wtd: -0.731 fa_elec: -3.263 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.383 fa_dun: 5.502 p_aa_pp: -0.049 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.187 res_type_constraint: -3.000 < RSD_WTD: 37 fa_atr: -14.387 fa_rep: 1.456 fa_sol: 7.843 fa_intra_rep: 0.035 fa_intra_sol_xover4: 0.157 lk_ball_wtd: -0.624 fa_elec: -4.468 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.078 fa_dun: 0.505 p_aa_pp: -0.551 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.384 res_type_constraint: -3.000 < RSD_WTD: 38 fa_atr: -13.525 fa_rep: 0.711 fa_sol: 12.002 fa_intra_rep: 0.020 fa_intra_sol_xover4: 1.666 lk_ball_wtd: -0.204 fa_elec: -5.152 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.206 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.181 fa_dun: 4.811 p_aa_pp: -0.118 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.446 res_type_constraint: -3.000 < RSD_WTD: 39 fa_atr: -11.700 fa_rep: 2.343 fa_sol: 11.299 fa_intra_rep: 0.012 fa_intra_sol_xover4: 0.662 lk_ball_wtd: -0.458 fa_elec: -7.807 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.165 angle_constraint: 0.000 dihedral_constraint: 0.082 omega: 0.303 fa_dun: 7.824 p_aa_pp: -0.019 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.317 res_type_constraint: -3.000 < RSD_WTD: 40 fa_atr: -10.160 fa_rep: 0.338 fa_sol: 8.856 fa_intra_rep: 0.016 fa_intra_sol_xover4: 0.701 lk_ball_wtd: -0.690 fa_elec: -2.457 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.274 fa_dun: 5.076 p_aa_pp: -0.091 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.238 res_type_constraint: -3.000 < RSD_WTD: 41 fa_atr: -19.634 fa_rep: 1.597 fa_sol: 10.137 fa_intra_rep: 0.045 fa_intra_sol_xover4: 0.545 lk_ball_wtd: -0.387 fa_elec: -4.344 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.008 fa_dun: 2.600 p_aa_pp: -0.772 yhh_planarity: 0.000 ref: 1.164 rama_prepro: -0.005 res_type_constraint: -3.000 < RSD_WTD: 42 fa_atr: -11.978 fa_rep: 0.466 fa_sol: 14.548 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.597 lk_ball_wtd: -0.188 fa_elec: -6.279 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.206 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.004 fa_dun: 2.780 p_aa_pp: 0.481 yhh_planarity: 0.000 ref: -4.291 rama_prepro: 0.210 res_type_constraint: -3.000 < RSD_WTD: 43 fa_atr: -8.056 fa_rep: 0.678 fa_sol: 8.413 fa_intra_rep: 0.018 fa_intra_sol_xover4: 0.393 lk_ball_wtd: -0.993 fa_elec: -1.077 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.357 fa_dun: 5.031 p_aa_pp: -0.384 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.209 res_type_constraint: -3.000 < RSD_WTD: 44 fa_atr: -6.870 fa_rep: 0.271 fa_sol: 6.803 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.765 lk_ball_wtd: -0.510 fa_elec: -0.543 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.097 fa_dun: 4.784 p_aa_pp: -0.501 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.654 res_type_constraint: -3.000 < RSD_WTD: 45 fa_atr: -8.882 fa_rep: 0.450 fa_sol: 7.614 fa_intra_rep: 0.018 fa_intra_sol_xover4: 1.395 lk_ball_wtd: -0.803 fa_elec: -1.195 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.158 fa_dun: 4.348 p_aa_pp: -0.313 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.527 res_type_constraint: -3.000 < RSD_WTD: 46 fa_atr: -4.133 fa_rep: 0.080 fa_sol: 6.201 fa_intra_rep: 0.266 fa_intra_sol_xover4: 0.282 lk_ball_wtd: -0.403 fa_elec: 0.314 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.087 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.183 res_type_constraint: -3.000 < RSD_WTD: 47 fa_atr: -1.752 fa_rep: 7.301 fa_sol: 2.116 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.257 fa_elec: -29.991 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.882 angle_constraint: 0.768 dihedral_constraint: 1.780 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: -3.000 --- > TOTAL_WTD: fa_atr: -522.150 fa_rep: 65.870 fa_sol: 376.975 fa_intra_rep: 1.473 fa_intra_sol_xover4: 24.970 lk_ball_wtd: -19.424 fa_elec: -217.652 pro_close: 0.452 hbond_sr_bb: -79.601 hbond_lr_bb: -1.424 hbond_bb_sc: 0.000 hbond_sc: -2.931 dslf_fa13: 0.000 atom_pair_constraint: 1.565 angle_constraint: 5.201 dihedral_constraint: 0.746 omega: 7.548 fa_dun: 136.526 p_aa_pp: -9.891 yhh_planarity: 0.000 ref: -8.755 rama_prepro: 8.417 res_type_constraint: -138.000 > RSD_WTD: 1 fa_atr: -6.203 fa_rep: 0.701 fa_sol: 5.681 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.007 fa_elec: -0.799 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.094 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.596 rama_prepro: 0.000 res_type_constraint: -3.000 > RSD_WTD: 2 fa_atr: -5.949 fa_rep: 2.874 fa_sol: 6.063 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.556 fa_elec: -1.966 pro_close: 0.033 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.028 fa_dun: 1.682 p_aa_pp: 0.537 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 10.348 res_type_constraint: -3.000 > RSD_WTD: 3 fa_atr: -7.790 fa_rep: 2.476 fa_sol: 5.015 fa_intra_rep: 0.005 fa_intra_sol_xover4: 0.086 lk_ball_wtd: -0.325 fa_elec: -0.313 pro_close: 0.419 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.175 fa_dun: 1.221 p_aa_pp: -0.561 yhh_planarity: 0.000 ref: -3.286 rama_prepro: 9.891 res_type_constraint: -3.000 > RSD_WTD: 4 fa_atr: -14.463 fa_rep: 1.680 fa_sol: 7.728 fa_intra_rep: 0.035 fa_intra_sol_xover4: 0.146 lk_ball_wtd: -0.459 fa_elec: -2.642 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.539 fa_dun: 0.641 p_aa_pp: -0.394 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.393 res_type_constraint: -3.000 > RSD_WTD: 5 fa_atr: -12.118 fa_rep: 0.891 fa_sol: 6.350 fa_intra_rep: 0.044 fa_intra_sol_xover4: 0.360 lk_ball_wtd: -0.197 fa_elec: -3.174 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.156 fa_dun: 2.485 p_aa_pp: -0.590 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.248 res_type_constraint: -3.000 > RSD_WTD: 6 fa_atr: -10.700 fa_rep: 0.652 fa_sol: 9.572 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.406 lk_ball_wtd: -0.887 fa_elec: -4.183 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.246 fa_dun: 5.091 p_aa_pp: -0.088 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.488 res_type_constraint: -3.000 > RSD_WTD: 7 fa_atr: -11.936 fa_rep: 1.029 fa_sol: 8.525 fa_intra_rep: 0.038 fa_intra_sol_xover4: 1.513 lk_ball_wtd: -0.422 fa_elec: -2.825 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.997 fa_dun: 5.385 p_aa_pp: -0.235 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.417 res_type_constraint: -3.000 > RSD_WTD: 8 fa_atr: -17.115 fa_rep: 2.044 fa_sol: 6.752 fa_intra_rep: 0.063 fa_intra_sol_xover4: 0.146 lk_ball_wtd: -0.425 fa_elec: -3.364 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.192 fa_dun: 0.353 p_aa_pp: -0.784 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.222 res_type_constraint: -3.000 > RSD_WTD: 9 fa_atr: -9.617 fa_rep: 0.349 fa_sol: 9.816 fa_intra_rep: 0.009 fa_intra_sol_xover4: 1.244 lk_ball_wtd: -0.297 fa_elec: -4.881 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.041 fa_dun: 2.430 p_aa_pp: -0.466 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.206 res_type_constraint: -3.000 > RSD_WTD: 10 fa_atr: -12.089 fa_rep: 0.472 fa_sol: 10.099 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.501 lk_ball_wtd: -0.822 fa_elec: -3.915 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.017 fa_dun: 2.287 p_aa_pp: 1.186 yhh_planarity: 0.000 ref: -2.681 rama_prepro: 0.749 res_type_constraint: -3.000 > RSD_WTD: 11 fa_atr: -18.412 fa_rep: 2.227 fa_sol: 6.064 fa_intra_rep: 0.076 fa_intra_sol_xover4: 0.227 lk_ball_wtd: 0.083 fa_elec: -3.554 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.099 fa_dun: 2.478 p_aa_pp: -0.675 yhh_planarity: 0.000 ref: 4.607 rama_prepro: 0.476 res_type_constraint: -3.000 > RSD_WTD: 12 fa_atr: -13.981 fa_rep: 3.443 fa_sol: 11.253 fa_intra_rep: 0.014 fa_intra_sol_xover4: 1.473 lk_ball_wtd: -0.209 fa_elec: -12.716 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.200 angle_constraint: 0.003 dihedral_constraint: 0.273 omega: 0.236 fa_dun: 7.929 p_aa_pp: -0.422 yhh_planarity: 0.000 ref: -0.601 rama_prepro: 0.150 res_type_constraint: -3.000 > RSD_WTD: 13 fa_atr: -9.540 fa_rep: 0.519 fa_sol: 10.073 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.048 lk_ball_wtd: -0.841 fa_elec: -4.870 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.001 fa_dun: 0.868 p_aa_pp: 0.591 yhh_planarity: 0.000 ref: -0.579 rama_prepro: 0.193 res_type_constraint: -3.000 > RSD_WTD: 14 fa_atr: -15.247 fa_rep: 0.935 fa_sol: 7.992 fa_intra_rep: 0.083 fa_intra_sol_xover4: 0.507 lk_ball_wtd: -0.430 fa_elec: -4.081 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.028 fa_dun: 6.016 p_aa_pp: 0.412 yhh_planarity: 0.000 ref: 2.437 rama_prepro: -0.281 res_type_constraint: -3.000 > RSD_WTD: 15 fa_atr: -19.516 fa_rep: 3.419 fa_sol: 7.289 fa_intra_rep: 0.052 fa_intra_sol_xover4: 0.141 lk_ball_wtd: -0.545 fa_elec: -4.359 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.060 fa_dun: 0.174 p_aa_pp: -0.810 yhh_planarity: 0.000 ref: 4.607 rama_prepro: -0.115 res_type_constraint: -3.000 > RSD_WTD: 16 fa_atr: -11.827 fa_rep: 3.058 fa_sol: 10.607 fa_intra_rep: 0.009 fa_intra_sol_xover4: 0.751 lk_ball_wtd: 0.059 fa_elec: -13.240 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.192 angle_constraint: 0.115 dihedral_constraint: 0.036 omega: 0.408 fa_dun: 4.581 p_aa_pp: 0.216 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.108 res_type_constraint: -3.000 > RSD_WTD: 17 fa_atr: -9.872 fa_rep: 0.542 fa_sol: 8.365 fa_intra_rep: 0.020 fa_intra_sol_xover4: 0.400 lk_ball_wtd: -0.497 fa_elec: -3.311 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.516 fa_dun: 4.781 p_aa_pp: 0.013 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.347 res_type_constraint: -3.000 > RSD_WTD: 18 fa_atr: -12.740 fa_rep: 0.722 fa_sol: 6.588 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.042 fa_elec: -4.720 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.190 fa_dun: 0.000 p_aa_pp: -0.482 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.536 res_type_constraint: -3.000 > RSD_WTD: 19 fa_atr: -12.200 fa_rep: 1.238 fa_sol: 8.518 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.383 lk_ball_wtd: -0.606 fa_elec: -3.431 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.176 fa_dun: 4.574 p_aa_pp: 0.126 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.456 res_type_constraint: 0.000 > RSD_WTD: 20 fa_atr: -4.830 fa_rep: 0.267 fa_sol: 4.092 fa_intra_rep: 0.003 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.087 fa_elec: -1.272 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.061 fa_dun: 0.000 p_aa_pp: -0.709 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -0.615 res_type_constraint: -3.000 > RSD_WTD: 21 fa_atr: -6.004 fa_rep: 0.416 fa_sol: 3.785 fa_intra_rep: 0.004 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.311 fa_elec: -0.981 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.060 fa_dun: 0.000 p_aa_pp: 0.045 yhh_planarity: 0.000 ref: 2.649 rama_prepro: -1.155 res_type_constraint: -3.000 > RSD_WTD: 22 fa_atr: -4.471 fa_rep: 0.325 fa_sol: 4.661 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.253 fa_elec: -3.024 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.035 fa_dun: 0.000 p_aa_pp: -2.496 yhh_planarity: 0.000 ref: 1.596 rama_prepro: -1.446 res_type_constraint: -3.000 > RSD_WTD: 23 fa_atr: -11.504 fa_rep: 0.839 fa_sol: 8.526 fa_intra_rep: 0.025 fa_intra_sol_xover4: 0.703 lk_ball_wtd: -0.108 fa_elec: -3.695 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.106 fa_dun: 3.506 p_aa_pp: 0.172 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.383 res_type_constraint: -3.000 > RSD_WTD: 24 fa_atr: -9.326 fa_rep: 0.844 fa_sol: 5.807 fa_intra_rep: 0.036 fa_intra_sol_xover4: 0.230 lk_ball_wtd: -0.466 fa_elec: -2.293 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.526 fa_dun: 2.385 p_aa_pp: -0.313 yhh_planarity: 0.000 ref: 3.315 rama_prepro: 0.219 res_type_constraint: -3.000 > RSD_WTD: 25 fa_atr: -5.242 fa_rep: 0.255 fa_sol: 5.984 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.579 lk_ball_wtd: -0.390 fa_elec: -1.657 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.220 fa_dun: 2.592 p_aa_pp: 0.481 yhh_planarity: 0.000 ref: -4.291 rama_prepro: -0.463 res_type_constraint: -3.000 > RSD_WTD: 26 fa_atr: -11.250 fa_rep: 0.934 fa_sol: 9.137 fa_intra_rep: 0.015 fa_intra_sol_xover4: 1.651 lk_ball_wtd: -0.714 fa_elec: -3.367 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.328 fa_dun: 5.576 p_aa_pp: -0.572 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.490 res_type_constraint: -3.000 > RSD_WTD: 27 fa_atr: -16.401 fa_rep: 2.021 fa_sol: 5.368 fa_intra_rep: 0.041 fa_intra_sol_xover4: 0.108 lk_ball_wtd: -0.137 fa_elec: -2.801 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.054 fa_dun: -0.013 p_aa_pp: -0.450 yhh_planarity: 0.000 ref: 5.285 rama_prepro: -0.312 res_type_constraint: -3.000 > RSD_WTD: 28 fa_atr: -8.407 fa_rep: 0.283 fa_sol: 8.267 fa_intra_rep: 0.021 fa_intra_sol_xover4: 0.375 lk_ball_wtd: -0.847 fa_elec: -2.432 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.101 fa_dun: 3.432 p_aa_pp: -0.026 yhh_planarity: 0.000 ref: -0.189 rama_prepro: -0.177 res_type_constraint: -3.000 > RSD_WTD: 29 fa_atr: -8.416 fa_rep: 0.195 fa_sol: 8.438 fa_intra_rep: 0.024 fa_intra_sol_xover4: 0.129 lk_ball_wtd: -0.787 fa_elec: -2.619 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.016 fa_dun: 0.055 p_aa_pp: -0.052 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.033 res_type_constraint: -3.000 > RSD_WTD: 30 fa_atr: -17.838 fa_rep: 2.142 fa_sol: 6.986 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.150 lk_ball_wtd: -0.458 fa_elec: -4.237 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.010 fa_dun: 0.972 p_aa_pp: -0.549 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.156 res_type_constraint: -3.000 > RSD_WTD: 31 fa_atr: -10.822 fa_rep: 0.891 fa_sol: 8.283 fa_intra_rep: 0.048 fa_intra_sol_xover4: 1.619 lk_ball_wtd: -0.604 fa_elec: -4.019 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.769 fa_dun: 4.841 p_aa_pp: -0.190 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.510 res_type_constraint: -3.000 > RSD_WTD: 32 fa_atr: -9.226 fa_rep: 0.650 fa_sol: 9.609 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.537 lk_ball_wtd: -0.859 fa_elec: -2.981 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.184 fa_dun: 5.093 p_aa_pp: -0.430 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.645 res_type_constraint: -3.000 > RSD_WTD: 33 fa_atr: -12.094 fa_rep: 0.616 fa_sol: 9.716 fa_intra_rep: 0.015 fa_intra_sol_xover4: 0.504 lk_ball_wtd: -0.821 fa_elec: -3.285 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.063 fa_dun: 2.016 p_aa_pp: 1.097 yhh_planarity: 0.000 ref: -2.681 rama_prepro: -0.208 res_type_constraint: -3.000 > RSD_WTD: 34 fa_atr: -16.052 fa_rep: 1.948 fa_sol: 6.414 fa_intra_rep: 0.037 fa_intra_sol_xover4: 0.336 lk_ball_wtd: -0.196 fa_elec: -3.522 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.010 fa_dun: 1.233 p_aa_pp: -0.411 yhh_planarity: 0.000 ref: 3.323 rama_prepro: 0.178 res_type_constraint: -3.000 > RSD_WTD: 35 fa_atr: -9.915 fa_rep: 1.634 fa_sol: 9.546 fa_intra_rep: 0.088 fa_intra_sol_xover4: 1.301 lk_ball_wtd: 0.086 fa_elec: -6.870 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.113 angle_constraint: 0.095 dihedral_constraint: 0.011 omega: 0.192 fa_dun: 7.259 p_aa_pp: 0.002 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.166 res_type_constraint: -3.000 > RSD_WTD: 36 fa_atr: -9.679 fa_rep: 0.642 fa_sol: 9.154 fa_intra_rep: 0.022 fa_intra_sol_xover4: 0.427 lk_ball_wtd: -0.692 fa_elec: -3.672 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.449 fa_dun: 5.080 p_aa_pp: -0.278 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.399 res_type_constraint: -3.000 > RSD_WTD: 37 fa_atr: -15.584 fa_rep: 1.997 fa_sol: 7.665 fa_intra_rep: 0.029 fa_intra_sol_xover4: 0.158 lk_ball_wtd: -0.610 fa_elec: -4.377 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.193 fa_dun: 1.253 p_aa_pp: -0.555 yhh_planarity: 0.000 ref: 3.323 rama_prepro: -0.587 res_type_constraint: -3.000 > RSD_WTD: 38 fa_atr: -12.995 fa_rep: 0.613 fa_sol: 11.964 fa_intra_rep: 0.041 fa_intra_sol_xover4: 1.562 lk_ball_wtd: -0.408 fa_elec: -4.814 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.465 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.152 fa_dun: 4.972 p_aa_pp: -0.270 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.566 res_type_constraint: -3.000 > RSD_WTD: 39 fa_atr: -12.114 fa_rep: 2.212 fa_sol: 11.612 fa_intra_rep: 0.013 fa_intra_sol_xover4: 0.658 lk_ball_wtd: -0.479 fa_elec: -7.662 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.083 angle_constraint: 0.084 dihedral_constraint: 0.021 omega: -0.002 fa_dun: 8.079 p_aa_pp: -0.297 yhh_planarity: 0.000 ref: -0.601 rama_prepro: -0.210 res_type_constraint: -3.000 > RSD_WTD: 40 fa_atr: -9.907 fa_rep: 0.358 fa_sol: 8.187 fa_intra_rep: 0.014 fa_intra_sol_xover4: 0.700 lk_ball_wtd: -0.785 fa_elec: -2.606 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.378 fa_dun: 5.658 p_aa_pp: -0.285 yhh_planarity: 0.000 ref: -5.449 rama_prepro: -0.336 res_type_constraint: -3.000 > RSD_WTD: 41 fa_atr: -19.562 fa_rep: 1.610 fa_sol: 9.807 fa_intra_rep: 0.043 fa_intra_sol_xover4: 0.510 lk_ball_wtd: -0.633 fa_elec: -4.121 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.002 fa_dun: 2.649 p_aa_pp: -0.723 yhh_planarity: 0.000 ref: 1.164 rama_prepro: -0.213 res_type_constraint: -3.000 > RSD_WTD: 42 fa_atr: -11.881 fa_rep: 0.393 fa_sol: 14.526 fa_intra_rep: 0.008 fa_intra_sol_xover4: 0.583 lk_ball_wtd: -0.117 fa_elec: -6.139 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: -1.465 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.023 fa_dun: 2.725 p_aa_pp: 0.479 yhh_planarity: 0.000 ref: -4.291 rama_prepro: 0.214 res_type_constraint: -3.000 > RSD_WTD: 43 fa_atr: -8.163 fa_rep: 0.547 fa_sol: 8.454 fa_intra_rep: 0.021 fa_intra_sol_xover4: 0.416 lk_ball_wtd: -1.098 fa_elec: -0.976 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.231 fa_dun: 5.107 p_aa_pp: -0.348 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.239 res_type_constraint: -3.000 > RSD_WTD: 44 fa_atr: -7.189 fa_rep: 0.238 fa_sol: 6.716 fa_intra_rep: 0.047 fa_intra_sol_xover4: 1.771 lk_ball_wtd: -0.377 fa_elec: -0.524 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: -0.070 fa_dun: 4.549 p_aa_pp: -0.482 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.622 res_type_constraint: -3.000 > RSD_WTD: 45 fa_atr: -8.636 fa_rep: 0.379 fa_sol: 7.371 fa_intra_rep: 0.016 fa_intra_sol_xover4: 1.299 lk_ball_wtd: -0.832 fa_elec: -1.418 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.006 fa_dun: 4.433 p_aa_pp: -0.304 yhh_planarity: 0.000 ref: -2.902 rama_prepro: -0.496 res_type_constraint: -3.000 > RSD_WTD: 46 fa_atr: -4.187 fa_rep: 0.088 fa_sol: 6.285 fa_intra_rep: 0.305 fa_intra_sol_xover4: 0.283 lk_ball_wtd: -0.435 fa_elec: 0.223 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.098 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 2.304 rama_prepro: -0.170 res_type_constraint: -3.000 > RSD_WTD: 47 fa_atr: -1.763 fa_rep: 7.899 fa_sol: 2.138 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.254 fa_elec: -30.725 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.587 angle_constraint: 0.298 dihedral_constraint: 0.341 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: -3.000 1663c1655 < RSD_WTD: 52 fa_atr: -0.114 fa_rep: 0.000 fa_sol: -0.006 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.009 fa_elec: 0.036 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 52 fa_atr: -0.589 fa_rep: 0.035 fa_sol: -0.106 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.036 fa_elec: 0.039 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1666,1667c1658,1659 < RSD_WTD: 55 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 56 fa_atr: -0.546 fa_rep: 0.000 fa_sol: 0.675 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.124 fa_elec: -0.121 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 55 fa_atr: -0.112 fa_rep: 0.000 fa_sol: -0.005 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.035 fa_elec: 0.004 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 56 fa_atr: -0.367 fa_rep: 0.000 fa_sol: 0.460 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.003 fa_elec: 0.141 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1670c1662 < RSD_WTD: 59 fa_atr: -0.737 fa_rep: 0.000 fa_sol: 0.754 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.291 fa_elec: 0.229 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 59 fa_atr: -1.293 fa_rep: 0.010 fa_sol: 1.222 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.214 fa_elec: 0.055 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1673,1674c1665,1666 < RSD_WTD: 62 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 63 fa_atr: -0.768 fa_rep: 0.001 fa_sol: 0.740 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.309 fa_elec: 0.316 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 62 fa_atr: -0.002 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.002 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 63 fa_atr: -0.707 fa_rep: 0.000 fa_sol: 0.688 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.316 fa_elec: 0.309 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1677c1669 < RSD_WTD: 66 fa_atr: -0.012 fa_rep: 0.000 fa_sol: 0.009 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.004 fa_elec: 0.060 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 66 fa_atr: -0.006 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.015 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1689c1681 < RSD_WTD: 78 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.006 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 78 fa_atr: -0.004 fa_rep: 0.000 fa_sol: 0.004 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.002 fa_elec: 0.018 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1692,1693c1684,1685 < RSD_WTD: 81 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.000 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 82 fa_atr: -1.016 fa_rep: 1.275 fa_sol: 1.057 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.340 fa_elec: -4.638 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.116 angle_constraint: 0.335 dihedral_constraint: 0.418 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 81 fa_atr: -0.006 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.007 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 82 fa_atr: -1.049 fa_rep: 1.286 fa_sol: 1.066 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.347 fa_elec: -4.950 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.111 angle_constraint: 0.095 dihedral_constraint: 0.010 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1696,1697c1688,1689 < RSD_WTD: 85 fa_atr: -0.116 fa_rep: 0.000 fa_sol: 0.112 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.018 fa_elec: 0.076 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 86 fa_atr: -1.018 fa_rep: 1.178 fa_sol: 1.033 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.377 fa_elec: -4.693 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.168 angle_constraint: 0.000 dihedral_constraint: 0.082 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 85 fa_atr: -0.392 fa_rep: 0.000 fa_sol: 0.180 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.090 fa_elec: 0.179 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 86 fa_atr: -1.165 fa_rep: 1.362 fa_sol: 1.133 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.321 fa_elec: -4.778 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.084 angle_constraint: 0.084 dihedral_constraint: 0.022 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1699,1700c1691,1692 < RSD_WTD: 88 fa_atr: -0.182 fa_rep: 0.000 fa_sol: 0.037 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.026 fa_elec: 0.067 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 89 fa_atr: -0.400 fa_rep: 0.000 fa_sol: 0.659 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.167 fa_elec: -0.323 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 88 fa_atr: -0.503 fa_rep: 0.035 fa_sol: -0.044 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.023 fa_elec: 0.023 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 89 fa_atr: -0.516 fa_rep: 0.000 fa_sol: 0.721 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.006 fa_elec: -0.071 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 1703,1705c1695,1697 < RSD_WTD: 92 fa_atr: -0.032 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.026 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 93 fa_atr: 0.000 fa_rep: 0.000 fa_sol: 0.000 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.000 fa_elec: 0.003 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 < RSD_WTD: 94 fa_atr: -0.586 fa_rep: 2.461 fa_sol: 0.707 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.086 fa_elec: -10.009 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.280 angle_constraint: 0.334 dihedral_constraint: 0.501 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 --- > RSD_WTD: 92 fa_atr: -0.030 fa_rep: 0.000 fa_sol: 0.001 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.003 fa_elec: -0.010 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 93 fa_atr: -0.045 fa_rep: 0.000 fa_sol: 0.086 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.033 fa_elec: -0.061 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.000 angle_constraint: 0.000 dihedral_constraint: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 > RSD_WTD: 94 fa_atr: -0.591 fa_rep: 2.635 fa_sol: 0.719 fa_intra_rep: 0.000 fa_intra_sol_xover4: 0.000 lk_ball_wtd: 0.084 fa_elec: -10.363 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 atom_pair_constraint: 0.196 angle_constraint: 0.178 dihedral_constraint: 0.032 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 0.000 rama_prepro: 0.000 res_type_constraint: 0.000 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62155/zinc_homodimer_design/log /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/log 226c226 < core.pack.pack_rotamers: built 1552 rotamers at 8 positions. --- > core.pack.pack_rotamers: built 812 rotamers at 5 positions. 228d227 < core.optimization.LineMinimizer: Inaccurate G in step= 7.45058e-09 Deriv= -4.17189 Finite Diff= 4.23724 232c231 < core.pack.pack_rotamers: built 1552 rotamers at 8 positions. --- > core.pack.pack_rotamers: built 812 rotamers at 5 positions. 234d232 < core.optimization.LineMinimizer: Inaccurate G in step= 7.45058e-09 Deriv= -4.17189 Finite Diff= 4.23724 diff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/main:62155/zinc_homodimer_design/sym.pdb /home/benchmark/working_dir/commits:20736/zinc_homodimer_design/sym.pdb 754d753 < HETATM 743 ZN ZN A 47 7.794 -0.790 6.278 1.00 0.00 ZN 756,1498c755,1500 < ATOM 745 N GLY B 1 12.415 15.677 9.453 1.00 0.00 N < ATOM 746 CA GLY B 1 11.259 15.608 8.519 1.00 0.00 C < ATOM 747 C GLY B 1 11.603 15.897 7.071 1.00 0.00 C < ATOM 748 O GLY B 1 11.842 14.976 6.294 1.00 0.00 O < ATOM 749 1H GLY B 1 12.407 16.329 10.211 1.00 0.00 H < ATOM 750 2H GLY B 1 12.678 14.871 9.984 1.00 0.00 H < ATOM 751 3H GLY B 1 13.326 15.900 9.106 1.00 0.00 H < ATOM 752 1HA GLY B 1 10.830 14.605 8.556 1.00 0.00 H < ATOM 753 2HA GLY B 1 10.509 16.334 8.826 1.00 0.00 H < ATOM 754 N SER B 2 11.627 17.180 6.711 1.00 0.00 N < ATOM 755 CA SER B 2 11.700 17.608 5.309 1.00 0.00 C < ATOM 756 C SER B 2 12.932 17.117 4.538 1.00 0.00 C < ATOM 757 O SER B 2 12.796 16.692 3.394 1.00 0.00 O < ATOM 758 CB SER B 2 11.641 19.123 5.253 1.00 0.00 C < ATOM 759 OG SER B 2 10.403 19.618 5.682 1.00 0.00 O < ATOM 760 H SER B 2 11.593 17.879 7.438 1.00 0.00 H < ATOM 761 HA SER B 2 10.824 17.324 4.723 1.00 0.00 H < ATOM 762 1HB SER B 2 12.425 19.524 5.895 1.00 0.00 H < ATOM 763 2HB SER B 2 11.815 19.441 4.226 1.00 0.00 H < ATOM 764 HG SER B 2 9.833 18.884 5.927 1.00 0.00 H < ATOM 765 N PRO B 3 14.132 17.193 5.141 1.00 0.00 N < ATOM 766 CA PRO B 3 15.306 16.629 4.458 1.00 0.00 C < ATOM 767 C PRO B 3 15.177 15.125 4.154 1.00 0.00 C < ATOM 768 O PRO B 3 15.544 14.687 3.054 1.00 0.00 O < ATOM 769 CB PRO B 3 16.454 16.912 5.432 1.00 0.00 C < ATOM 770 CG PRO B 3 15.782 17.135 6.743 1.00 0.00 C < ATOM 771 CD PRO B 3 14.444 17.737 6.410 1.00 0.00 C < ATOM 772 HA PRO B 3 15.479 17.076 3.468 1.00 0.00 H < ATOM 773 1HB PRO B 3 17.156 16.067 5.483 1.00 0.00 H < ATOM 774 2HB PRO B 3 17.034 17.795 5.126 1.00 0.00 H < ATOM 775 1HG PRO B 3 15.664 16.190 7.296 1.00 0.00 H < ATOM 776 2HG PRO B 3 16.371 17.808 7.383 1.00 0.00 H < ATOM 777 1HD PRO B 3 13.673 17.472 7.149 1.00 0.00 H < ATOM 778 2HD PRO B 3 14.483 18.835 6.365 1.00 0.00 H < ATOM 779 N LEU B 4 14.666 14.352 5.111 1.00 0.00 N < ATOM 780 CA LEU B 4 14.396 12.921 4.898 1.00 0.00 C < ATOM 781 C LEU B 4 13.363 12.710 3.795 1.00 0.00 C < ATOM 782 O LEU B 4 13.487 11.793 2.982 1.00 0.00 O < ATOM 783 CB LEU B 4 13.920 12.268 6.201 1.00 0.00 C < ATOM 784 CG LEU B 4 14.986 12.142 7.296 1.00 0.00 C < ATOM 785 CD1 LEU B 4 14.350 11.651 8.590 1.00 0.00 C < ATOM 786 CD2 LEU B 4 16.078 11.188 6.837 1.00 0.00 C < ATOM 787 H LEU B 4 14.458 14.762 6.010 1.00 0.00 H < ATOM 788 HA LEU B 4 15.307 12.423 4.567 1.00 0.00 H < ATOM 789 1HB LEU B 4 13.164 12.993 6.497 1.00 0.00 H < ATOM 790 2HB LEU B 4 13.445 11.303 6.019 1.00 0.00 H < ATOM 791 HG LEU B 4 15.435 13.126 7.425 1.00 0.00 H < ATOM 792 1HD1 LEU B 4 15.115 11.564 9.362 1.00 0.00 H < ATOM 793 2HD1 LEU B 4 13.588 12.360 8.913 1.00 0.00 H < ATOM 794 3HD1 LEU B 4 13.892 10.676 8.424 1.00 0.00 H < ATOM 795 1HD2 LEU B 4 16.835 11.100 7.616 1.00 0.00 H < ATOM 796 2HD2 LEU B 4 15.646 10.206 6.638 1.00 0.00 H < ATOM 797 3HD2 LEU B 4 16.538 11.571 5.926 1.00 0.00 H < ATOM 798 N LEU B 5 12.333 13.551 3.771 1.00 0.00 N < ATOM 799 CA LEU B 5 11.303 13.457 2.742 1.00 0.00 C < ATOM 800 C LEU B 5 11.875 13.750 1.348 1.00 0.00 C < ATOM 801 O LEU B 5 11.487 13.115 0.370 1.00 0.00 O < ATOM 802 CB LEU B 5 10.152 14.419 3.062 1.00 0.00 C < ATOM 803 CG LEU B 5 8.979 14.386 2.073 1.00 0.00 C < ATOM 804 CD1 LEU B 5 8.357 12.997 2.047 1.00 0.00 C < ATOM 805 CD2 LEU B 5 7.949 15.433 2.470 1.00 0.00 C < ATOM 806 H LEU B 5 12.259 14.270 4.477 1.00 0.00 H < ATOM 807 HA LEU B 5 10.916 12.438 2.705 1.00 0.00 H < ATOM 808 1HB LEU B 5 9.841 14.009 4.022 1.00 0.00 H < ATOM 809 2HB LEU B 5 10.505 15.439 3.200 1.00 0.00 H < ATOM 810 HG LEU B 5 9.373 14.661 1.094 1.00 0.00 H < ATOM 811 1HD1 LEU B 5 7.525 12.982 1.342 1.00 0.00 H < ATOM 812 2HD1 LEU B 5 9.106 12.268 1.738 1.00 0.00 H < ATOM 813 3HD1 LEU B 5 7.992 12.743 3.042 1.00 0.00 H < ATOM 814 1HD2 LEU B 5 7.117 15.408 1.765 1.00 0.00 H < ATOM 815 2HD2 LEU B 5 7.582 15.218 3.474 1.00 0.00 H < ATOM 816 3HD2 LEU B 5 8.409 16.420 2.454 1.00 0.00 H < ATOM 817 N GLN B 6 12.789 14.712 1.260 1.00 0.00 N < ATOM 818 CA GLN B 6 13.469 15.023 -0.001 1.00 0.00 C < ATOM 819 C GLN B 6 14.273 13.818 -0.499 1.00 0.00 C < ATOM 820 O GLN B 6 14.198 13.452 -1.681 1.00 0.00 O < ATOM 821 CB GLN B 6 14.396 16.230 0.171 1.00 0.00 C < ATOM 822 CG GLN B 6 13.669 17.551 0.357 1.00 0.00 C < ATOM 823 CD GLN B 6 14.617 18.697 0.652 1.00 0.00 C < ATOM 824 OE1 GLN B 6 15.826 18.497 0.805 1.00 0.00 O < ATOM 825 NE2 GLN B 6 14.075 19.907 0.737 1.00 0.00 N < ATOM 826 H GLN B 6 13.020 15.242 2.088 1.00 0.00 H < ATOM 827 HA GLN B 6 12.729 15.246 -0.769 1.00 0.00 H < ATOM 828 1HB GLN B 6 15.019 16.026 1.042 1.00 0.00 H < ATOM 829 2HB GLN B 6 15.020 16.276 -0.720 1.00 0.00 H < ATOM 830 1HG GLN B 6 12.914 17.912 -0.342 1.00 0.00 H < ATOM 831 2HG GLN B 6 13.186 17.254 1.289 1.00 0.00 H < ATOM 832 1HE2 GLN B 6 14.652 20.701 0.930 1.00 0.00 H < ATOM 833 2HE2 GLN B 6 13.090 20.024 0.608 1.00 0.00 H < ATOM 834 N GLN B 7 15.038 13.208 0.404 1.00 0.00 N < ATOM 835 CA GLN B 7 15.808 11.996 0.092 1.00 0.00 C < ATOM 836 C GLN B 7 14.888 10.863 -0.343 1.00 0.00 C < ATOM 837 O GLN B 7 15.180 10.153 -1.310 1.00 0.00 O < ATOM 838 CB GLN B 7 16.633 11.552 1.303 1.00 0.00 C < ATOM 839 CG GLN B 7 17.538 10.361 1.037 1.00 0.00 C < ATOM 840 CD GLN B 7 18.612 10.667 0.011 1.00 0.00 C < ATOM 841 OE1 GLN B 7 19.269 11.711 0.072 1.00 0.00 O < ATOM 842 NE2 GLN B 7 18.795 9.761 -0.941 1.00 0.00 N < ATOM 843 H GLN B 7 15.087 13.595 1.335 1.00 0.00 H < ATOM 844 HA GLN B 7 16.479 12.194 -0.743 1.00 0.00 H < ATOM 845 1HB GLN B 7 17.233 12.410 1.608 1.00 0.00 H < ATOM 846 2HB GLN B 7 15.925 11.306 2.094 1.00 0.00 H < ATOM 847 1HG GLN B 7 17.995 9.777 1.835 1.00 0.00 H < ATOM 848 2HG GLN B 7 16.760 9.767 0.554 1.00 0.00 H < ATOM 849 1HE2 GLN B 7 19.489 9.907 -1.646 1.00 0.00 H < ATOM 850 2HE2 GLN B 7 18.239 8.929 -0.954 1.00 0.00 H < ATOM 851 N ILE B 8 13.781 10.693 0.374 1.00 0.00 N < ATOM 852 CA ILE B 8 12.775 9.680 0.044 1.00 0.00 C < ATOM 853 C ILE B 8 12.158 9.924 -1.344 1.00 0.00 C < ATOM 854 O ILE B 8 12.016 8.979 -2.131 1.00 0.00 O < ATOM 855 CB ILE B 8 11.651 9.645 1.096 1.00 0.00 C < ATOM 856 CG1 ILE B 8 12.188 9.133 2.435 1.00 0.00 C < ATOM 857 CG2 ILE B 8 10.498 8.777 0.614 1.00 0.00 C < ATOM 858 CD1 ILE B 8 11.228 9.316 3.588 1.00 0.00 C < ATOM 859 H ILE B 8 13.635 11.289 1.176 1.00 0.00 H < ATOM 860 HA ILE B 8 13.233 8.694 -0.033 1.00 0.00 H < ATOM 861 HB ILE B 8 11.294 10.659 1.268 1.00 0.00 H < ATOM 862 1HG1 ILE B 8 12.410 8.073 2.311 1.00 0.00 H < ATOM 863 2HG1 ILE B 8 13.111 9.674 2.641 1.00 0.00 H < ATOM 864 1HG2 ILE B 8 9.713 8.762 1.370 1.00 0.00 H < ATOM 865 2HG2 ILE B 8 10.100 9.183 -0.314 1.00 0.00 H < ATOM 866 3HG2 ILE B 8 10.855 7.760 0.442 1.00 0.00 H < ATOM 867 1HD1 ILE B 8 11.679 8.930 4.503 1.00 0.00 H < ATOM 868 2HD1 ILE B 8 11.006 10.377 3.714 1.00 0.00 H < ATOM 869 3HD1 ILE B 8 10.305 8.775 3.384 1.00 0.00 H < ATOM 870 N HIS B 9 11.805 11.175 -1.648 1.00 0.00 N < ATOM 871 CA HIS B 9 11.304 11.530 -2.986 1.00 0.00 C < ATOM 872 C HIS B 9 12.310 11.118 -4.065 1.00 0.00 C < ATOM 873 O HIS B 9 11.941 10.594 -5.120 1.00 0.00 O < ATOM 874 CB HIS B 9 11.017 13.032 -3.083 1.00 0.00 C < ATOM 875 CG HIS B 9 9.836 13.472 -2.276 1.00 0.00 C < ATOM 876 ND1 HIS B 9 9.562 14.800 -2.021 1.00 0.00 N < ATOM 877 CD2 HIS B 9 8.858 12.762 -1.666 1.00 0.00 C < ATOM 878 CE1 HIS B 9 8.465 14.887 -1.288 1.00 0.00 C < ATOM 879 NE2 HIS B 9 8.020 13.665 -1.059 1.00 0.00 N < ATOM 880 H HIS B 9 11.882 11.895 -0.944 1.00 0.00 H < ATOM 881 HA HIS B 9 10.381 10.986 -3.189 1.00 0.00 H < ATOM 882 1HB HIS B 9 11.873 13.603 -2.721 1.00 0.00 H < ATOM 883 2HB HIS B 9 10.808 13.308 -4.117 1.00 0.00 H < ATOM 884 HD2 HIS B 9 8.656 11.693 -1.589 1.00 0.00 H < ATOM 885 HE1 HIS B 9 8.080 15.857 -0.980 1.00 0.00 H < ATOM 886 HE2 HIS B 9 7.197 13.423 -0.526 1.00 0.00 H < ATOM 887 N ASN B 10 13.582 11.394 -3.801 1.00 0.00 N < ATOM 888 CA ASN B 10 14.641 11.121 -4.766 1.00 0.00 C < ATOM 889 C ASN B 10 14.871 9.628 -4.987 1.00 0.00 C < ATOM 890 O ASN B 10 14.991 9.198 -6.133 1.00 0.00 O < ATOM 891 CB ASN B 10 15.939 11.787 -4.348 1.00 0.00 C < ATOM 892 CG ASN B 10 15.937 13.280 -4.522 1.00 0.00 C < ATOM 893 OD1 ASN B 10 15.143 13.835 -5.290 1.00 0.00 O < ATOM 894 ND2 ASN B 10 16.874 13.925 -3.875 1.00 0.00 N < ATOM 895 H ASN B 10 13.822 11.803 -2.910 1.00 0.00 H < ATOM 896 HA ASN B 10 14.362 11.518 -5.743 1.00 0.00 H < ATOM 897 1HB ASN B 10 16.413 11.538 -3.398 1.00 0.00 H < ATOM 898 2HB ASN B 10 16.505 11.338 -5.165 1.00 0.00 H < ATOM 899 1HD2 ASN B 10 16.933 14.921 -3.943 1.00 0.00 H < ATOM 900 2HD2 ASN B 10 17.529 13.422 -3.312 1.00 0.00 H < ATOM 901 N ILE B 11 14.925 8.833 -3.917 1.00 0.00 N < ATOM 902 CA ILE B 11 15.098 7.380 -4.082 1.00 0.00 C < ATOM 903 C ILE B 11 13.896 6.791 -4.820 1.00 0.00 C < ATOM 904 O ILE B 11 14.048 5.927 -5.688 1.00 0.00 O < ATOM 905 CB ILE B 11 15.267 6.661 -2.731 1.00 0.00 C < ATOM 906 CG1 ILE B 11 16.547 7.129 -2.034 1.00 0.00 C < ATOM 907 CG2 ILE B 11 15.287 5.154 -2.929 1.00 0.00 C < ATOM 908 CD1 ILE B 11 17.809 6.843 -2.816 1.00 0.00 C < ATOM 909 H ILE B 11 14.847 9.215 -2.986 1.00 0.00 H < ATOM 910 HA ILE B 11 15.962 7.166 -4.712 1.00 0.00 H < ATOM 911 HB ILE B 11 14.438 6.931 -2.079 1.00 0.00 H < ATOM 912 1HG1 ILE B 11 16.455 8.203 -1.873 1.00 0.00 H < ATOM 913 2HG1 ILE B 11 16.596 6.621 -1.071 1.00 0.00 H < ATOM 914 1HG2 ILE B 11 15.407 4.661 -1.964 1.00 0.00 H < ATOM 915 2HG2 ILE B 11 14.350 4.835 -3.384 1.00 0.00 H < ATOM 916 3HG2 ILE B 11 16.118 4.883 -3.581 1.00 0.00 H < ATOM 917 1HD1 ILE B 11 18.673 7.203 -2.258 1.00 0.00 H < ATOM 918 2HD1 ILE B 11 17.903 5.768 -2.976 1.00 0.00 H < ATOM 919 3HD1 ILE B 11 17.763 7.350 -3.779 1.00 0.00 H < ATOM 920 N HIS B 12 12.671 7.269 -4.496 1.00 0.00 N < ATOM 921 CA HIS B 12 11.479 6.838 -5.220 1.00 0.00 C < ATOM 922 C HIS B 12 11.597 7.154 -6.692 1.00 0.00 C < ATOM 923 O HIS B 12 11.248 6.317 -7.544 1.00 0.00 O < ATOM 924 CB HIS B 12 10.219 7.496 -4.650 1.00 0.00 C < ATOM 925 CG HIS B 12 9.034 7.415 -5.561 1.00 0.00 C < ATOM 926 ND1 HIS B 12 8.642 8.462 -6.370 1.00 0.00 N < ATOM 927 CD2 HIS B 12 8.155 6.412 -5.791 1.00 0.00 C < ATOM 928 CE1 HIS B 12 7.572 8.107 -7.057 1.00 0.00 C < ATOM 929 NE2 HIS B 12 7.256 6.867 -6.725 1.00 0.00 N < ATOM 930 H HIS B 12 12.574 7.934 -3.742 1.00 0.00 H < ATOM 931 HA HIS B 12 11.370 5.756 -5.141 1.00 0.00 H < ATOM 932 1HB HIS B 12 9.930 7.009 -3.718 1.00 0.00 H < ATOM 933 2HB HIS B 12 10.399 8.554 -4.465 1.00 0.00 H < ATOM 934 HD1 HIS B 12 9.127 9.329 -6.489 1.00 0.00 H < ATOM 935 HD2 HIS B 12 8.060 5.403 -5.391 1.00 0.00 H < ATOM 936 HE1 HIS B 12 7.106 8.801 -7.756 1.00 0.00 H < ATOM 937 N SER B 13 12.040 8.363 -7.031 1.00 0.00 N < ATOM 938 CA SER B 13 12.232 8.755 -8.434 1.00 0.00 C < ATOM 939 C SER B 13 13.263 7.878 -9.145 1.00 0.00 C < ATOM 940 O SER B 13 13.064 7.501 -10.301 1.00 0.00 O < ATOM 941 CB SER B 13 12.647 10.211 -8.512 1.00 0.00 C < ATOM 942 OG SER B 13 11.632 11.073 -8.077 1.00 0.00 O < ATOM 943 H SER B 13 12.250 9.027 -6.301 1.00 0.00 H < ATOM 944 HA SER B 13 11.307 8.760 -9.013 1.00 0.00 H < ATOM 945 1HB SER B 13 13.528 10.355 -7.886 1.00 0.00 H < ATOM 946 2HB SER B 13 12.895 10.448 -9.546 1.00 0.00 H < ATOM 947 HG SER B 13 10.866 10.556 -7.814 1.00 0.00 H < ATOM 948 N PHE B 14 14.359 7.545 -8.464 1.00 0.00 N < ATOM 949 CA PHE B 14 15.384 6.668 -9.052 1.00 0.00 C < ATOM 950 C PHE B 14 14.844 5.255 -9.328 1.00 0.00 C < ATOM 951 O PHE B 14 15.236 4.622 -10.309 1.00 0.00 O < ATOM 952 CB PHE B 14 16.604 6.589 -8.131 1.00 0.00 C < ATOM 953 CG PHE B 14 17.384 7.870 -8.048 1.00 0.00 C < ATOM 954 CD1 PHE B 14 17.201 8.872 -8.989 1.00 0.00 C < ATOM 955 CD2 PHE B 14 18.302 8.075 -7.030 1.00 0.00 C < ATOM 956 CE1 PHE B 14 17.918 10.052 -8.914 1.00 0.00 C < ATOM 957 CE2 PHE B 14 19.019 9.253 -6.951 1.00 0.00 C < ATOM 958 CZ PHE B 14 18.828 10.242 -7.894 1.00 0.00 C < ATOM 959 H PHE B 14 14.493 7.899 -7.529 1.00 0.00 H < ATOM 960 HA PHE B 14 15.701 7.063 -10.019 1.00 0.00 H < ATOM 961 1HB PHE B 14 16.293 6.346 -7.116 1.00 0.00 H < ATOM 962 2HB PHE B 14 17.295 5.826 -8.490 1.00 0.00 H < ATOM 963 HD1 PHE B 14 16.481 8.722 -9.794 1.00 0.00 H < ATOM 964 HD2 PHE B 14 18.455 7.293 -6.284 1.00 0.00 H < ATOM 965 HE1 PHE B 14 17.764 10.830 -9.659 1.00 0.00 H < ATOM 966 HE2 PHE B 14 19.737 9.401 -6.144 1.00 0.00 H < ATOM 967 HZ PHE B 14 19.395 11.170 -7.835 1.00 0.00 H < ATOM 968 N ILE B 15 13.969 4.749 -8.462 1.00 0.00 N < ATOM 969 CA ILE B 15 13.365 3.427 -8.669 1.00 0.00 C < ATOM 970 C ILE B 15 12.506 3.414 -9.950 1.00 0.00 C < ATOM 971 O ILE B 15 12.589 2.475 -10.747 1.00 0.00 O < ATOM 972 CB ILE B 15 12.496 3.008 -7.469 1.00 0.00 C < ATOM 973 CG1 ILE B 15 13.370 2.763 -6.237 1.00 0.00 C < ATOM 974 CG2 ILE B 15 11.688 1.764 -7.807 1.00 0.00 C < ATOM 975 CD1 ILE B 15 12.587 2.609 -4.954 1.00 0.00 C < ATOM 976 H ILE B 15 13.714 5.284 -7.644 1.00 0.00 H < ATOM 977 HA ILE B 15 14.135 2.675 -8.840 1.00 0.00 H < ATOM 978 HB ILE B 15 11.819 3.823 -7.218 1.00 0.00 H < ATOM 979 1HG1 ILE B 15 13.946 1.857 -6.422 1.00 0.00 H < ATOM 980 2HG1 ILE B 15 14.049 3.612 -6.148 1.00 0.00 H < ATOM 981 1HG2 ILE B 15 11.080 1.480 -6.948 1.00 0.00 H < ATOM 982 2HG2 ILE B 15 11.040 1.970 -8.657 1.00 0.00 H < ATOM 983 3HG2 ILE B 15 12.365 0.946 -8.057 1.00 0.00 H < ATOM 984 1HD1 ILE B 15 13.274 2.439 -4.125 1.00 0.00 H < ATOM 985 2HD1 ILE B 15 12.011 3.515 -4.767 1.00 0.00 H < ATOM 986 3HD1 ILE B 15 11.910 1.760 -5.040 1.00 0.00 H < ATOM 987 N HIS B 16 11.674 4.470 -10.164 1.00 0.00 N < ATOM 988 CA HIS B 16 10.861 4.550 -11.374 1.00 0.00 C < ATOM 989 C HIS B 16 11.732 4.613 -12.606 1.00 0.00 C < ATOM 990 O HIS B 16 11.427 3.978 -13.622 1.00 0.00 O < ATOM 991 CB HIS B 16 9.932 5.767 -11.326 1.00 0.00 C < ATOM 992 CG HIS B 16 8.633 5.505 -10.628 1.00 0.00 C < ATOM 993 ND1 HIS B 16 7.867 4.387 -10.878 1.00 0.00 N < ATOM 994 CD2 HIS B 16 7.966 6.219 -9.691 1.00 0.00 C < ATOM 995 CE1 HIS B 16 6.784 4.422 -10.122 1.00 0.00 C < ATOM 996 NE2 HIS B 16 6.819 5.523 -9.392 1.00 0.00 N < ATOM 997 H HIS B 16 11.613 5.211 -9.482 1.00 0.00 H < ATOM 998 HA HIS B 16 10.249 3.652 -11.467 1.00 0.00 H < ATOM 999 1HB HIS B 16 10.414 6.587 -10.791 1.00 0.00 H < ATOM 1000 2HB HIS B 16 9.685 6.089 -12.337 1.00 0.00 H < ATOM 1001 HD1 HIS B 16 8.117 3.618 -11.468 1.00 0.00 H < ATOM 1002 HD2 HIS B 16 8.177 7.162 -9.188 1.00 0.00 H < ATOM 1003 HE1 HIS B 16 6.047 3.621 -10.171 1.00 0.00 H < ATOM 1004 N GLN B 17 12.787 5.411 -12.546 1.00 0.00 N < ATOM 1005 CA GLN B 17 13.691 5.552 -13.682 1.00 0.00 C < ATOM 1006 C GLN B 17 14.462 4.258 -13.964 1.00 0.00 C < ATOM 1007 O GLN B 17 14.666 3.894 -15.135 1.00 0.00 O < ATOM 1008 CB GLN B 17 14.677 6.697 -13.432 1.00 0.00 C < ATOM 1009 CG GLN B 17 14.048 8.078 -13.464 1.00 0.00 C < ATOM 1010 CD GLN B 17 15.036 9.172 -13.105 1.00 0.00 C < ATOM 1011 OE1 GLN B 17 16.182 8.898 -12.736 1.00 0.00 O < ATOM 1012 NE2 GLN B 17 14.597 10.422 -13.206 1.00 0.00 N < ATOM 1013 H GLN B 17 12.974 5.933 -11.700 1.00 0.00 H < ATOM 1014 HA GLN B 17 13.115 5.760 -14.583 1.00 0.00 H < ATOM 1015 1HB GLN B 17 15.126 6.517 -12.455 1.00 0.00 H < ATOM 1016 2HB GLN B 17 15.444 6.623 -14.203 1.00 0.00 H < ATOM 1017 1HG GLN B 17 13.445 8.432 -14.300 1.00 0.00 H < ATOM 1018 2HG GLN B 17 13.403 7.899 -12.603 1.00 0.00 H < ATOM 1019 1HE2 GLN B 17 15.204 11.185 -12.982 1.00 0.00 H < ATOM 1020 2HE2 GLN B 17 13.661 10.600 -13.507 1.00 0.00 H < ATOM 1021 N ALA B 18 14.887 3.566 -12.904 1.00 0.00 N < ATOM 1022 CA ALA B 18 15.597 2.286 -13.037 1.00 0.00 C < ATOM 1023 C ALA B 18 14.683 1.179 -13.572 1.00 0.00 C < ATOM 1024 O ALA B 18 15.111 0.330 -14.365 1.00 0.00 O < ATOM 1025 CB ALA B 18 16.196 1.875 -11.700 1.00 0.00 C < ATOM 1026 H ALA B 18 14.713 3.938 -11.982 1.00 0.00 H < ATOM 1027 HA ALA B 18 16.404 2.407 -13.759 1.00 0.00 H < ATOM 1028 1HB ALA B 18 16.719 0.925 -11.813 1.00 0.00 H < ATOM 1029 2HB ALA B 18 16.900 2.637 -11.366 1.00 0.00 H < ATOM 1030 3HB ALA B 18 15.402 1.765 -10.964 1.00 0.00 H < ATOM 1031 N LYS B 19 13.422 1.180 -13.145 1.00 0.00 N < ATOM 1032 CA LYS B 19 12.435 0.253 -13.701 1.00 0.00 C < ATOM 1033 C LYS B 19 12.218 0.533 -15.196 1.00 0.00 C < ATOM 1034 O LYS B 19 12.192 -0.402 -16.003 1.00 0.00 O < ATOM 1035 CB LYS B 19 11.111 0.356 -12.941 1.00 0.00 C < ATOM 1036 CG LYS B 19 11.137 -0.261 -11.548 1.00 0.00 C < ATOM 1037 CD LYS B 19 9.833 -0.004 -10.806 1.00 0.00 C < ATOM 1038 CE LYS B 19 8.670 -0.732 -11.463 1.00 0.00 C < ATOM 1039 NZ LYS B 19 7.398 -0.536 -10.715 1.00 0.00 N < ATOM 1040 H LYS B 19 13.136 1.829 -12.426 1.00 0.00 H < ATOM 1041 HA LYS B 19 12.803 -0.771 -13.619 1.00 0.00 H < ATOM 1042 1HB LYS B 19 10.868 1.416 -12.865 1.00 0.00 H < ATOM 1043 2HB LYS B 19 10.356 -0.147 -13.545 1.00 0.00 H < ATOM 1044 1HG LYS B 19 11.294 -1.336 -11.647 1.00 0.00 H < ATOM 1045 2HG LYS B 19 11.965 0.176 -10.991 1.00 0.00 H < ATOM 1046 1HD LYS B 19 9.945 -0.349 -9.778 1.00 0.00 H < ATOM 1047 2HD LYS B 19 9.638 1.068 -10.809 1.00 0.00 H < ATOM 1048 1HE LYS B 19 8.557 -0.353 -12.477 1.00 0.00 H < ATOM 1049 2HE LYS B 19 8.910 -1.796 -11.499 1.00 0.00 H < ATOM 1050 1HZ LYS B 19 6.654 -1.035 -11.181 1.00 0.00 H < ATOM 1051 2HZ LYS B 19 7.502 -0.890 -9.773 1.00 0.00 H < ATOM 1052 3HZ LYS B 19 7.175 0.448 -10.682 1.00 0.00 H < ATOM 1053 N ALA B 20 12.085 1.810 -15.558 1.00 0.00 N < ATOM 1054 CA ALA B 20 11.884 2.211 -16.958 1.00 0.00 C < ATOM 1055 C ALA B 20 13.057 1.823 -17.861 1.00 0.00 C < ATOM 1056 O ALA B 20 12.867 1.582 -19.060 1.00 0.00 O < ATOM 1057 CB ALA B 20 11.638 3.710 -17.040 1.00 0.00 C < ATOM 1058 H ALA B 20 12.125 2.522 -14.843 1.00 0.00 H < ATOM 1059 HA ALA B 20 11.010 1.689 -17.349 1.00 0.00 H < ATOM 1060 1HB ALA B 20 11.489 3.996 -18.081 1.00 0.00 H < ATOM 1061 2HB ALA B 20 10.749 3.965 -16.464 1.00 0.00 H < ATOM 1062 3HB ALA B 20 12.497 4.241 -16.637 1.00 0.00 H < ATOM 1063 N ALA B 21 14.258 1.765 -17.282 1.00 0.00 N < ATOM 1064 CA ALA B 21 15.471 1.350 -17.999 1.00 0.00 C < ATOM 1065 C ALA B 21 15.786 -0.142 -17.840 1.00 0.00 C < ATOM 1066 O ALA B 21 16.801 -0.616 -18.352 1.00 0.00 O < ATOM 1067 CB ALA B 21 16.657 2.184 -17.534 1.00 0.00 C < ATOM 1068 H ALA B 21 14.326 2.020 -16.307 1.00 0.00 H < ATOM 1069 HA ALA B 21 15.321 1.516 -19.066 1.00 0.00 H < ATOM 1070 1HB ALA B 21 17.554 1.871 -18.069 1.00 0.00 H < ATOM 1071 2HB ALA B 21 16.463 3.237 -17.736 1.00 0.00 H < ATOM 1072 3HB ALA B 21 16.805 2.041 -16.465 1.00 0.00 H < ATOM 1073 N GLY B 22 14.931 -0.883 -17.139 1.00 0.00 N < ATOM 1074 CA GLY B 22 15.123 -2.324 -16.957 1.00 0.00 C < ATOM 1075 C GLY B 22 16.354 -2.701 -16.150 1.00 0.00 C < ATOM 1076 O GLY B 22 17.024 -3.681 -16.471 1.00 0.00 O < ATOM 1077 H GLY B 22 14.127 -0.437 -16.720 1.00 0.00 H < ATOM 1078 1HA GLY B 22 14.257 -2.736 -16.437 1.00 0.00 H < ATOM 1079 2HA GLY B 22 15.218 -2.797 -17.933 1.00 0.00 H < ATOM 1080 N ARG B 23 16.643 -1.935 -15.099 1.00 0.00 N < ATOM 1081 CA ARG B 23 17.824 -2.173 -14.256 1.00 0.00 C < ATOM 1082 C ARG B 23 17.412 -2.794 -12.916 1.00 0.00 C < ATOM 1083 O ARG B 23 17.202 -2.075 -11.930 1.00 0.00 O < ATOM 1084 CB ARG B 23 18.658 -0.917 -14.058 1.00 0.00 C < ATOM 1085 CG ARG B 23 19.207 -0.305 -15.338 1.00 0.00 C < ATOM 1086 CD ARG B 23 19.839 1.027 -15.158 1.00 0.00 C < ATOM 1087 NE ARG B 23 21.120 0.996 -14.471 1.00 0.00 N < ATOM 1088 CZ ARG B 23 21.746 2.081 -13.973 1.00 0.00 C < ATOM 1089 NH1 ARG B 23 21.237 3.283 -14.116 1.00 0.00 N < ATOM 1090 NH2 ARG B 23 22.903 1.905 -13.356 1.00 0.00 N < ATOM 1091 H ARG B 23 16.027 -1.166 -14.877 1.00 0.00 H < ATOM 1092 HA ARG B 23 18.489 -2.886 -14.746 1.00 0.00 H < ATOM 1093 1HB ARG B 23 18.023 -0.189 -13.555 1.00 0.00 H < ATOM 1094 2HB ARG B 23 19.488 -1.187 -13.405 1.00 0.00 H < ATOM 1095 1HG ARG B 23 19.956 -0.980 -15.752 1.00 0.00 H < ATOM 1096 2HG ARG B 23 18.386 -0.196 -16.049 1.00 0.00 H < ATOM 1097 1HD ARG B 23 20.005 1.475 -16.137 1.00 0.00 H < ATOM 1098 2HD ARG B 23 19.171 1.659 -14.577 1.00 0.00 H < ATOM 1099 HE ARG B 23 21.721 0.210 -14.262 1.00 0.00 H < ATOM 1100 1HH1 ARG B 23 20.361 3.402 -14.605 1.00 0.00 H < ATOM 1101 2HH1 ARG B 23 21.722 4.082 -13.736 1.00 0.00 H < ATOM 1102 1HH2 ARG B 23 23.291 0.974 -13.271 1.00 0.00 H < ATOM 1103 2HH2 ARG B 23 23.395 2.699 -12.974 1.00 0.00 H < ATOM 1104 N MET B 24 17.319 -4.123 -12.883 1.00 0.00 N < ATOM 1105 CA MET B 24 16.703 -4.844 -11.761 1.00 0.00 C < ATOM 1106 C MET B 24 17.494 -4.765 -10.447 1.00 0.00 C < ATOM 1107 O MET B 24 16.900 -4.546 -9.386 1.00 0.00 O < ATOM 1108 CB MET B 24 16.506 -6.308 -12.150 1.00 0.00 C < ATOM 1109 CG MET B 24 15.433 -6.542 -13.204 1.00 0.00 C < ATOM 1110 SD MET B 24 13.794 -6.028 -12.652 1.00 0.00 S < ATOM 1111 CE MET B 24 13.465 -7.249 -11.384 1.00 0.00 C < ATOM 1112 H MET B 24 17.687 -4.650 -13.663 1.00 0.00 H < ATOM 1113 HA MET B 24 15.734 -4.406 -11.524 1.00 0.00 H < ATOM 1114 1HB MET B 24 17.465 -6.669 -12.521 1.00 0.00 H < ATOM 1115 2HB MET B 24 16.243 -6.847 -11.239 1.00 0.00 H < ATOM 1116 1HG MET B 24 15.704 -5.979 -14.095 1.00 0.00 H < ATOM 1117 2HG MET B 24 15.415 -7.607 -13.438 1.00 0.00 H < ATOM 1118 1HE MET B 24 12.484 -7.064 -10.947 1.00 0.00 H < ATOM 1119 2HE MET B 24 13.485 -8.247 -11.826 1.00 0.00 H < ATOM 1120 3HE MET B 24 14.228 -7.181 -10.607 1.00 0.00 H < ATOM 1121 N ASP B 25 18.813 -4.949 -10.504 1.00 0.00 N < ATOM 1122 CA ASP B 25 19.626 -4.868 -9.291 1.00 0.00 C < ATOM 1123 C ASP B 25 19.479 -3.494 -8.640 1.00 0.00 C < ATOM 1124 O ASP B 25 19.303 -3.392 -7.419 1.00 0.00 O < ATOM 1125 CB ASP B 25 21.097 -5.151 -9.605 1.00 0.00 C < ATOM 1126 CG ASP B 25 21.405 -6.610 -9.914 1.00 0.00 C < ATOM 1127 OD1 ASP B 25 20.561 -7.440 -9.669 1.00 0.00 O < ATOM 1128 OD2 ASP B 25 22.410 -6.866 -10.532 1.00 0.00 O < ATOM 1129 H ASP B 25 19.264 -5.147 -11.386 1.00 0.00 H < ATOM 1130 HA ASP B 25 19.279 -5.604 -8.565 1.00 0.00 H < ATOM 1131 1HB ASP B 25 21.501 -4.521 -10.397 1.00 0.00 H < ATOM 1132 2HB ASP B 25 21.552 -4.878 -8.653 1.00 0.00 H < ATOM 1133 N GLU B 26 19.533 -2.449 -9.466 1.00 0.00 N < ATOM 1134 CA GLU B 26 19.371 -1.060 -9.012 1.00 0.00 C < ATOM 1135 C GLU B 26 17.996 -0.835 -8.391 1.00 0.00 C < ATOM 1136 O GLU B 26 17.872 -0.222 -7.329 1.00 0.00 O < ATOM 1137 CB GLU B 26 19.583 -0.085 -10.173 1.00 0.00 C < ATOM 1138 CG GLU B 26 21.029 0.042 -10.632 1.00 0.00 C < ATOM 1139 CD GLU B 26 21.915 0.525 -9.517 1.00 0.00 C < ATOM 1140 OE1 GLU B 26 21.603 1.533 -8.931 1.00 0.00 O < ATOM 1141 OE2 GLU B 26 22.841 -0.173 -9.176 1.00 0.00 O < ATOM 1142 H GLU B 26 19.693 -2.632 -10.447 1.00 0.00 H < ATOM 1143 HA GLU B 26 20.103 -0.837 -8.235 1.00 0.00 H < ATOM 1144 1HB GLU B 26 18.971 -0.440 -11.003 1.00 0.00 H < ATOM 1145 2HB GLU B 26 19.221 0.888 -9.843 1.00 0.00 H < ATOM 1146 1HG GLU B 26 21.435 -0.882 -11.044 1.00 0.00 H < ATOM 1147 2HG GLU B 26 20.984 0.798 -11.413 1.00 0.00 H < ATOM 1148 N VAL B 27 16.953 -1.319 -9.058 1.00 0.00 N < ATOM 1149 CA VAL B 27 15.604 -1.225 -8.499 1.00 0.00 C < ATOM 1150 C VAL B 27 15.525 -1.901 -7.123 1.00 0.00 C < ATOM 1151 O VAL B 27 14.994 -1.307 -6.187 1.00 0.00 O < ATOM 1152 CB VAL B 27 14.561 -1.861 -9.436 1.00 0.00 C < ATOM 1153 CG1 VAL B 27 13.204 -1.936 -8.751 1.00 0.00 C < ATOM 1154 CG2 VAL B 27 14.459 -1.074 -10.733 1.00 0.00 C < ATOM 1155 H VAL B 27 17.083 -1.757 -9.959 1.00 0.00 H < ATOM 1156 HA VAL B 27 15.322 -0.188 -8.316 1.00 0.00 H < ATOM 1157 HB VAL B 27 14.888 -2.867 -9.700 1.00 0.00 H < ATOM 1158 1HG1 VAL B 27 12.479 -2.388 -9.428 1.00 0.00 H < ATOM 1159 2HG1 VAL B 27 13.285 -2.542 -7.849 1.00 0.00 H < ATOM 1160 3HG1 VAL B 27 12.875 -0.931 -8.487 1.00 0.00 H < ATOM 1161 1HG2 VAL B 27 13.718 -1.538 -11.384 1.00 0.00 H < ATOM 1162 2HG2 VAL B 27 14.159 -0.049 -10.514 1.00 0.00 H < ATOM 1163 3HG2 VAL B 27 15.428 -1.070 -11.234 1.00 0.00 H < ATOM 1164 N ARG B 28 16.044 -3.124 -6.987 1.00 0.00 N < ATOM 1165 CA ARG B 28 15.927 -3.855 -5.709 1.00 0.00 C < ATOM 1166 C ARG B 28 16.731 -3.235 -4.566 1.00 0.00 C < ATOM 1167 O ARG B 28 16.247 -3.188 -3.433 1.00 0.00 O < ATOM 1168 CB ARG B 28 16.279 -5.326 -5.872 1.00 0.00 C < ATOM 1169 CG ARG B 28 15.259 -6.146 -6.647 1.00 0.00 C < ATOM 1170 CD ARG B 28 15.650 -7.562 -6.863 1.00 0.00 C < ATOM 1171 NE ARG B 28 14.681 -8.347 -7.612 1.00 0.00 N < ATOM 1172 CZ ARG B 28 14.862 -9.627 -7.991 1.00 0.00 C < ATOM 1173 NH1 ARG B 28 15.985 -10.259 -7.728 1.00 0.00 N < ATOM 1174 NH2 ARG B 28 13.889 -10.225 -8.656 1.00 0.00 N < ATOM 1175 H ARG B 28 16.524 -3.561 -7.761 1.00 0.00 H < ATOM 1176 HA ARG B 28 14.891 -3.837 -5.367 1.00 0.00 H < ATOM 1177 1HB ARG B 28 17.239 -5.368 -6.385 1.00 0.00 H < ATOM 1178 2HB ARG B 28 16.385 -5.741 -4.870 1.00 0.00 H < ATOM 1179 1HG ARG B 28 14.317 -6.138 -6.098 1.00 0.00 H < ATOM 1180 2HG ARG B 28 15.114 -5.685 -7.624 1.00 0.00 H < ATOM 1181 1HD ARG B 28 16.589 -7.591 -7.414 1.00 0.00 H < ATOM 1182 2HD ARG B 28 15.782 -8.045 -5.895 1.00 0.00 H < ATOM 1183 HE ARG B 28 13.766 -8.086 -7.955 1.00 0.00 H < ATOM 1184 1HH1 ARG B 28 16.726 -9.782 -7.234 1.00 0.00 H < ATOM 1185 2HH1 ARG B 28 16.101 -11.219 -8.020 1.00 0.00 H < ATOM 1186 1HH2 ARG B 28 13.040 -9.720 -8.866 1.00 0.00 H < ATOM 1187 2HH2 ARG B 28 14.000 -11.184 -8.952 1.00 0.00 H < ATOM 1188 N THR B 29 17.943 -2.754 -4.838 1.00 0.00 N < ATOM 1189 CA THR B 29 18.718 -2.106 -3.780 1.00 0.00 C < ATOM 1190 C THR B 29 18.078 -0.775 -3.370 1.00 0.00 C < ATOM 1191 O THR B 29 17.991 -0.487 -2.172 1.00 0.00 O < ATOM 1192 CB THR B 29 20.173 -1.855 -4.215 1.00 0.00 C < ATOM 1193 OG1 THR B 29 20.812 -3.105 -4.498 1.00 0.00 O < ATOM 1194 CG2 THR B 29 20.942 -1.133 -3.119 1.00 0.00 C < ATOM 1195 H THR B 29 18.340 -2.827 -5.764 1.00 0.00 H < ATOM 1196 HA THR B 29 18.724 -2.735 -2.888 1.00 0.00 H < ATOM 1197 HB THR B 29 20.172 -1.245 -5.119 1.00 0.00 H < ATOM 1198 HG1 THR B 29 20.190 -3.823 -4.353 1.00 0.00 H < ATOM 1199 1HG2 THR B 29 21.968 -0.965 -3.446 1.00 0.00 H < ATOM 1200 2HG2 THR B 29 20.464 -0.176 -2.910 1.00 0.00 H < ATOM 1201 3HG2 THR B 29 20.944 -1.742 -2.216 1.00 0.00 H < ATOM 1202 N LEU B 30 17.628 0.020 -4.348 1.00 0.00 N < ATOM 1203 CA LEU B 30 16.901 1.268 -4.045 1.00 0.00 C < ATOM 1204 C LEU B 30 15.587 1.013 -3.286 1.00 0.00 C < ATOM 1205 O LEU B 30 15.211 1.806 -2.418 1.00 0.00 O < ATOM 1206 CB LEU B 30 16.618 2.036 -5.342 1.00 0.00 C < ATOM 1207 CG LEU B 30 17.852 2.632 -6.031 1.00 0.00 C < ATOM 1208 CD1 LEU B 30 17.466 3.209 -7.386 1.00 0.00 C < ATOM 1209 CD2 LEU B 30 18.462 3.706 -5.142 1.00 0.00 C < ATOM 1210 H LEU B 30 17.786 -0.236 -5.312 1.00 0.00 H < ATOM 1211 HA LEU B 30 17.506 1.892 -3.386 1.00 0.00 H < ATOM 1212 1HB LEU B 30 16.212 1.223 -5.942 1.00 0.00 H < ATOM 1213 2HB LEU B 30 15.855 2.800 -5.201 1.00 0.00 H < ATOM 1214 HG LEU B 30 18.584 1.830 -6.135 1.00 0.00 H < ATOM 1215 1HD1 LEU B 30 18.349 3.630 -7.867 1.00 0.00 H < ATOM 1216 2HD1 LEU B 30 17.055 2.418 -8.013 1.00 0.00 H < ATOM 1217 3HD1 LEU B 30 16.721 3.991 -7.249 1.00 0.00 H < ATOM 1218 1HD2 LEU B 30 19.339 4.128 -5.632 1.00 0.00 H < ATOM 1219 2HD2 LEU B 30 17.728 4.493 -4.966 1.00 0.00 H < ATOM 1220 3HD2 LEU B 30 18.756 3.265 -4.188 1.00 0.00 H < ATOM 1221 N GLN B 31 14.876 -0.061 -3.622 1.00 0.00 N < ATOM 1222 CA GLN B 31 13.644 -0.385 -2.894 1.00 0.00 C < ATOM 1223 C GLN B 31 13.919 -0.685 -1.419 1.00 0.00 C < ATOM 1224 O GLN B 31 13.131 -0.297 -0.553 1.00 0.00 O < ATOM 1225 CB GLN B 31 12.943 -1.583 -3.540 1.00 0.00 C < ATOM 1226 CG GLN B 31 11.589 -1.913 -2.934 1.00 0.00 C < ATOM 1227 CD GLN B 31 10.585 -0.791 -3.118 1.00 0.00 C < ATOM 1228 OE1 GLN B 31 10.457 -0.226 -4.208 1.00 0.00 O < ATOM 1229 NE2 GLN B 31 9.868 -0.460 -2.051 1.00 0.00 N < ATOM 1230 H GLN B 31 15.175 -0.664 -4.377 1.00 0.00 H < ATOM 1231 HA GLN B 31 12.975 0.475 -2.910 1.00 0.00 H < ATOM 1232 1HB GLN B 31 12.827 -1.348 -4.598 1.00 0.00 H < ATOM 1233 2HB GLN B 31 13.613 -2.437 -3.431 1.00 0.00 H < ATOM 1234 1HG GLN B 31 11.075 -2.857 -3.117 1.00 0.00 H < ATOM 1235 2HG GLN B 31 11.948 -1.891 -1.904 1.00 0.00 H < ATOM 1236 1HE2 GLN B 31 9.189 0.273 -2.112 1.00 0.00 H < ATOM 1237 2HE2 GLN B 31 10.004 -0.944 -1.186 1.00 0.00 H < ATOM 1238 N GLU B 32 15.037 -1.349 -1.127 1.00 0.00 N < ATOM 1239 CA GLU B 32 15.440 -1.605 0.256 1.00 0.00 C < ATOM 1240 C GLU B 32 15.940 -0.325 0.948 1.00 0.00 C < ATOM 1241 O GLU B 32 15.630 -0.097 2.118 1.00 0.00 O < ATOM 1242 CB GLU B 32 16.522 -2.685 0.300 1.00 0.00 C < ATOM 1243 CG GLU B 32 16.036 -4.079 -0.072 1.00 0.00 C < ATOM 1244 CD GLU B 32 17.172 -5.062 -0.110 1.00 0.00 C < ATOM 1245 OE1 GLU B 32 18.293 -4.654 0.081 1.00 0.00 O < ATOM 1246 OE2 GLU B 32 16.911 -6.237 -0.217 1.00 0.00 O < ATOM 1247 H GLU B 32 15.621 -1.684 -1.880 1.00 0.00 H < ATOM 1248 HA GLU B 32 14.581 -1.946 0.834 1.00 0.00 H < ATOM 1249 1HB GLU B 32 17.306 -2.379 -0.393 1.00 0.00 H < ATOM 1250 2HB GLU B 32 16.919 -2.699 1.315 1.00 0.00 H < ATOM 1251 1HG GLU B 32 15.254 -4.456 0.586 1.00 0.00 H < ATOM 1252 2HG GLU B 32 15.634 -3.951 -1.076 1.00 0.00 H < ATOM 1253 N ASN B 33 16.679 0.520 0.229 1.00 0.00 N < ATOM 1254 CA ASN B 33 17.059 1.837 0.751 1.00 0.00 C < ATOM 1255 C ASN B 33 15.836 2.686 1.085 1.00 0.00 C < ATOM 1256 O ASN B 33 15.780 3.325 2.139 1.00 0.00 O < ATOM 1257 CB ASN B 33 17.957 2.580 -0.221 1.00 0.00 C < ATOM 1258 CG ASN B 33 19.355 2.030 -0.296 1.00 0.00 C < ATOM 1259 OD1 ASN B 33 19.813 1.320 0.607 1.00 0.00 O < ATOM 1260 ND2 ASN B 33 20.061 2.420 -1.326 1.00 0.00 N < ATOM 1261 H ASN B 33 16.983 0.250 -0.695 1.00 0.00 H < ATOM 1262 HA ASN B 33 17.613 1.718 1.684 1.00 0.00 H < ATOM 1263 1HB ASN B 33 17.612 2.818 -1.228 1.00 0.00 H < ATOM 1264 2HB ASN B 33 17.968 3.486 0.384 1.00 0.00 H < ATOM 1265 1HD2 ASN B 33 21.000 2.093 -1.440 1.00 0.00 H < ATOM 1266 2HD2 ASN B 33 19.663 3.043 -1.997 1.00 0.00 H < ATOM 1267 N LEU B 34 14.873 2.700 0.163 1.00 0.00 N < ATOM 1268 CA LEU B 34 13.618 3.447 0.337 1.00 0.00 C < ATOM 1269 C LEU B 34 12.861 2.986 1.580 1.00 0.00 C < ATOM 1270 O LEU B 34 12.425 3.814 2.380 1.00 0.00 O < ATOM 1271 CB LEU B 34 12.734 3.296 -0.907 1.00 0.00 C < ATOM 1272 CG LEU B 34 11.386 4.026 -0.842 1.00 0.00 C < ATOM 1273 CD1 LEU B 34 11.611 5.526 -0.703 1.00 0.00 C < ATOM 1274 CD2 LEU B 34 10.578 3.716 -2.093 1.00 0.00 C < ATOM 1275 H LEU B 34 15.018 2.173 -0.686 1.00 0.00 H < ATOM 1276 HA LEU B 34 13.840 4.502 0.487 1.00 0.00 H < ATOM 1277 1HB LEU B 34 13.381 3.772 -1.643 1.00 0.00 H < ATOM 1278 2HB LEU B 34 12.588 2.249 -1.174 1.00 0.00 H < ATOM 1279 HG LEU B 34 10.842 3.625 0.014 1.00 0.00 H < ATOM 1280 1HD1 LEU B 34 10.648 6.035 -0.657 1.00 0.00 H < ATOM 1281 2HD1 LEU B 34 12.170 5.726 0.211 1.00 0.00 H < ATOM 1282 3HD1 LEU B 34 12.173 5.890 -1.561 1.00 0.00 H < ATOM 1283 1HD2 LEU B 34 9.620 4.234 -2.045 1.00 0.00 H < ATOM 1284 2HD2 LEU B 34 11.128 4.049 -2.973 1.00 0.00 H < ATOM 1285 3HD2 LEU B 34 10.405 2.641 -2.158 1.00 0.00 H < ATOM 1286 N HIS B 35 12.698 1.642 1.753 1.00 0.00 N < ATOM 1287 CA HIS B 35 11.975 1.100 2.901 1.00 0.00 C < ATOM 1288 C HIS B 35 12.634 1.510 4.196 1.00 0.00 C < ATOM 1289 O HIS B 35 11.952 1.905 5.150 1.00 0.00 O < ATOM 1290 CB HIS B 35 11.888 -0.428 2.821 1.00 0.00 C < ATOM 1291 CG HIS B 35 10.764 -1.009 3.621 1.00 0.00 C < ATOM 1292 ND1 HIS B 35 10.512 -2.363 3.677 1.00 0.00 N < ATOM 1293 CD2 HIS B 35 9.823 -0.419 4.397 1.00 0.00 C < ATOM 1294 CE1 HIS B 35 9.467 -2.582 4.454 1.00 0.00 C < ATOM 1295 NE2 HIS B 35 9.031 -1.419 4.903 1.00 0.00 N < ATOM 1296 H HIS B 35 13.086 1.006 1.071 1.00 0.00 H < ATOM 1297 HA HIS B 35 10.962 1.501 2.922 1.00 0.00 H < ATOM 1298 1HB HIS B 35 11.730 -0.743 1.789 1.00 0.00 H < ATOM 1299 2HB HIS B 35 12.806 -0.876 3.200 1.00 0.00 H < ATOM 1300 HD1 HIS B 35 11.072 -3.085 3.271 1.00 0.00 H < ATOM 1301 HD2 HIS B 35 9.622 0.621 4.655 1.00 0.00 H < ATOM 1302 HE1 HIS B 35 9.108 -3.596 4.628 1.00 0.00 H < ATOM 1303 N GLN B 36 13.953 1.378 4.262 1.00 0.00 N < ATOM 1304 CA GLN B 36 14.709 1.746 5.457 1.00 0.00 C < ATOM 1305 C GLN B 36 14.603 3.242 5.782 1.00 0.00 C < ATOM 1306 O GLN B 36 14.408 3.606 6.950 1.00 0.00 O < ATOM 1307 CB GLN B 36 16.181 1.363 5.285 1.00 0.00 C < ATOM 1308 CG GLN B 36 16.442 -0.134 5.303 1.00 0.00 C < ATOM 1309 CD GLN B 36 17.891 -0.473 5.010 1.00 0.00 C < ATOM 1310 OE1 GLN B 36 18.698 0.407 4.699 1.00 0.00 O < ATOM 1311 NE2 GLN B 36 18.228 -1.754 5.103 1.00 0.00 N < ATOM 1312 H GLN B 36 14.447 1.013 3.460 1.00 0.00 H < ATOM 1313 HA GLN B 36 14.298 1.226 6.323 1.00 0.00 H < ATOM 1314 1HB GLN B 36 16.505 1.782 4.332 1.00 0.00 H < ATOM 1315 2HB GLN B 36 16.728 1.841 6.096 1.00 0.00 H < ATOM 1316 1HG GLN B 36 16.105 -0.782 6.112 1.00 0.00 H < ATOM 1317 2HG GLN B 36 15.852 -0.336 4.408 1.00 0.00 H < ATOM 1318 1HE2 GLN B 36 19.170 -2.040 4.920 1.00 0.00 H < ATOM 1319 2HE2 GLN B 36 17.541 -2.436 5.356 1.00 0.00 H < ATOM 1320 N LEU B 37 14.700 4.110 4.766 1.00 0.00 N < ATOM 1321 CA LEU B 37 14.588 5.557 4.985 1.00 0.00 C < ATOM 1322 C LEU B 37 13.173 5.966 5.384 1.00 0.00 C < ATOM 1323 O LEU B 37 12.999 6.891 6.181 1.00 0.00 O < ATOM 1324 CB LEU B 37 15.018 6.315 3.723 1.00 0.00 C < ATOM 1325 CG LEU B 37 16.512 6.224 3.384 1.00 0.00 C < ATOM 1326 CD1 LEU B 37 16.780 6.871 2.031 1.00 0.00 C < ATOM 1327 CD2 LEU B 37 17.324 6.904 4.477 1.00 0.00 C < ATOM 1328 H LEU B 37 14.853 3.764 3.830 1.00 0.00 H < ATOM 1329 HA LEU B 37 15.231 5.852 5.812 1.00 0.00 H < ATOM 1330 1HB LEU B 37 14.433 5.772 2.982 1.00 0.00 H < ATOM 1331 2HB LEU B 37 14.697 7.356 3.748 1.00 0.00 H < ATOM 1332 HG LEU B 37 16.779 5.167 3.378 1.00 0.00 H < ATOM 1333 1HD1 LEU B 37 17.843 6.801 1.799 1.00 0.00 H < ATOM 1334 2HD1 LEU B 37 16.206 6.355 1.261 1.00 0.00 H < ATOM 1335 3HD1 LEU B 37 16.483 7.919 2.065 1.00 0.00 H < ATOM 1336 1HD2 LEU B 37 18.385 6.838 4.235 1.00 0.00 H < ATOM 1337 2HD2 LEU B 37 17.032 7.951 4.549 1.00 0.00 H < ATOM 1338 3HD2 LEU B 37 17.138 6.408 5.430 1.00 0.00 H < ATOM 1339 N GLN B 38 12.164 5.290 4.837 1.00 0.00 N < ATOM 1340 CA GLN B 38 10.783 5.583 5.206 1.00 0.00 C < ATOM 1341 C GLN B 38 10.523 5.256 6.676 1.00 0.00 C < ATOM 1342 O GLN B 38 9.812 6.003 7.349 1.00 0.00 O < ATOM 1343 CB GLN B 38 9.813 4.793 4.322 1.00 0.00 C < ATOM 1344 CG GLN B 38 8.350 5.130 4.550 1.00 0.00 C < ATOM 1345 CD GLN B 38 8.026 6.572 4.208 1.00 0.00 C < ATOM 1346 OE1 GLN B 38 8.443 7.086 3.166 1.00 0.00 O < ATOM 1347 NE2 GLN B 38 7.286 7.235 5.088 1.00 0.00 N < ATOM 1348 H GLN B 38 12.350 4.565 4.157 1.00 0.00 H < ATOM 1349 HA GLN B 38 10.591 6.648 5.087 1.00 0.00 H < ATOM 1350 1HB GLN B 38 10.085 5.007 3.288 1.00 0.00 H < ATOM 1351 2HB GLN B 38 9.986 3.737 4.530 1.00 0.00 H < ATOM 1352 1HG GLN B 38 7.536 4.507 4.177 1.00 0.00 H < ATOM 1353 2HG GLN B 38 8.407 5.036 5.634 1.00 0.00 H < ATOM 1354 1HE2 GLN B 38 7.040 8.190 4.917 1.00 0.00 H < ATOM 1355 2HE2 GLN B 38 6.971 6.779 5.922 1.00 0.00 H < ATOM 1356 N HIS B 39 11.110 4.150 7.201 1.00 0.00 N < ATOM 1357 CA HIS B 39 10.961 3.864 8.625 1.00 0.00 C < ATOM 1358 C HIS B 39 11.632 4.926 9.462 1.00 0.00 C < ATOM 1359 O HIS B 39 11.103 5.316 10.507 1.00 0.00 O < ATOM 1360 CB HIS B 39 11.538 2.485 8.967 1.00 0.00 C < ATOM 1361 CG HIS B 39 10.648 1.347 8.577 1.00 0.00 C < ATOM 1362 ND1 HIS B 39 10.607 0.162 9.281 1.00 0.00 N < ATOM 1363 CD2 HIS B 39 9.767 1.213 7.557 1.00 0.00 C < ATOM 1364 CE1 HIS B 39 9.736 -0.654 8.711 1.00 0.00 C < ATOM 1365 NE2 HIS B 39 9.214 -0.040 7.665 1.00 0.00 N < ATOM 1366 H HIS B 39 11.649 3.517 6.626 1.00 0.00 H < ATOM 1367 HA HIS B 39 9.904 3.870 8.894 1.00 0.00 H < ATOM 1368 1HB HIS B 39 12.485 2.334 8.445 1.00 0.00 H < ATOM 1369 2HB HIS B 39 11.699 2.403 10.041 1.00 0.00 H < ATOM 1370 HD1 HIS B 39 11.085 -0.036 10.137 1.00 0.00 H < ATOM 1371 HD2 HIS B 39 9.462 1.877 6.750 1.00 0.00 H < ATOM 1372 HE1 HIS B 39 9.556 -1.648 9.122 1.00 0.00 H < ATOM 1373 N GLU B 40 12.816 5.372 9.049 1.00 0.00 N < ATOM 1374 CA GLU B 40 13.492 6.457 9.758 1.00 0.00 C < ATOM 1375 C GLU B 40 12.633 7.727 9.794 1.00 0.00 C < ATOM 1376 O GLU B 40 12.531 8.386 10.840 1.00 0.00 O < ATOM 1377 CB GLU B 40 14.845 6.755 9.108 1.00 0.00 C < ATOM 1378 CG GLU B 40 15.654 7.837 9.808 1.00 0.00 C < ATOM 1379 CD GLU B 40 16.986 8.039 9.142 1.00 0.00 C < ATOM 1380 OE1 GLU B 40 17.265 7.349 8.190 1.00 0.00 O < ATOM 1381 OE2 GLU B 40 17.680 8.957 9.513 1.00 0.00 O < ATOM 1382 H GLU B 40 13.259 4.962 8.239 1.00 0.00 H < ATOM 1383 HA GLU B 40 13.659 6.171 10.798 1.00 0.00 H < ATOM 1384 1HB GLU B 40 15.410 5.823 9.107 1.00 0.00 H < ATOM 1385 2HB GLU B 40 14.644 7.059 8.081 1.00 0.00 H < ATOM 1386 1HG GLU B 40 15.134 8.791 9.876 1.00 0.00 H < ATOM 1387 2HG GLU B 40 15.806 7.435 10.809 1.00 0.00 H < ATOM 1388 N TYR B 41 12.026 8.073 8.659 1.00 0.00 N < ATOM 1389 CA TYR B 41 11.140 9.244 8.583 1.00 0.00 C < ATOM 1390 C TYR B 41 9.930 9.079 9.510 1.00 0.00 C < ATOM 1391 O TYR B 41 9.590 10.001 10.265 1.00 0.00 O < ATOM 1392 CB TYR B 41 10.672 9.472 7.143 1.00 0.00 C < ATOM 1393 CG TYR B 41 9.727 10.642 6.984 1.00 0.00 C < ATOM 1394 CD1 TYR B 41 10.205 11.944 6.948 1.00 0.00 C < ATOM 1395 CD2 TYR B 41 8.360 10.441 6.868 1.00 0.00 C < ATOM 1396 CE1 TYR B 41 9.346 13.016 6.803 1.00 0.00 C < ATOM 1397 CE2 TYR B 41 7.492 11.505 6.721 1.00 0.00 C < ATOM 1398 CZ TYR B 41 7.989 12.793 6.689 1.00 0.00 C < ATOM 1399 OH TYR B 41 7.129 13.856 6.542 1.00 0.00 O < ATOM 1400 H TYR B 41 12.178 7.516 7.831 1.00 0.00 H < ATOM 1401 HA TYR B 41 11.673 10.133 8.919 1.00 0.00 H < ATOM 1402 1HB TYR B 41 11.563 9.638 6.537 1.00 0.00 H < ATOM 1403 2HB TYR B 41 10.177 8.557 6.817 1.00 0.00 H < ATOM 1404 HD1 TYR B 41 11.278 12.112 7.039 1.00 0.00 H < ATOM 1405 HD2 TYR B 41 7.973 9.422 6.895 1.00 0.00 H < ATOM 1406 HE1 TYR B 41 9.736 14.033 6.776 1.00 0.00 H < ATOM 1407 HE2 TYR B 41 6.421 11.326 6.631 1.00 0.00 H < ATOM 1408 HH TYR B 41 6.210 13.589 6.472 1.00 0.00 H < ATOM 1409 N ASP B 42 9.288 7.912 9.457 1.00 0.00 N < ATOM 1410 CA ASP B 42 8.096 7.644 10.271 1.00 0.00 C < ATOM 1411 C ASP B 42 8.414 7.676 11.770 1.00 0.00 C < ATOM 1412 O ASP B 42 7.649 8.246 12.554 1.00 0.00 O < ATOM 1413 CB ASP B 42 7.487 6.291 9.895 1.00 0.00 C < ATOM 1414 CG ASP B 42 6.780 6.272 8.547 1.00 0.00 C < ATOM 1415 OD1 ASP B 42 6.547 7.326 8.005 1.00 0.00 O < ATOM 1416 OD2 ASP B 42 6.619 5.208 7.999 1.00 0.00 O < ATOM 1417 H ASP B 42 9.633 7.191 8.838 1.00 0.00 H < ATOM 1418 HA ASP B 42 7.351 8.421 10.101 1.00 0.00 H < ATOM 1419 1HB ASP B 42 8.198 5.465 9.944 1.00 0.00 H < ATOM 1420 2HB ASP B 42 6.751 6.184 10.692 1.00 0.00 H < ATOM 1421 N GLN B 43 9.535 7.073 12.164 1.00 0.00 N < ATOM 1422 CA GLN B 43 9.936 7.051 13.575 1.00 0.00 C < ATOM 1423 C GLN B 43 10.292 8.453 14.090 1.00 0.00 C < ATOM 1424 O GLN B 43 9.949 8.803 15.225 1.00 0.00 O < ATOM 1425 CB GLN B 43 11.130 6.114 13.772 1.00 0.00 C < ATOM 1426 CG GLN B 43 10.798 4.640 13.606 1.00 0.00 C < ATOM 1427 CD GLN B 43 12.027 3.756 13.704 1.00 0.00 C < ATOM 1428 OE1 GLN B 43 13.155 4.246 13.806 1.00 0.00 O < ATOM 1429 NE2 GLN B 43 11.816 2.445 13.667 1.00 0.00 N < ATOM 1430 H GLN B 43 10.122 6.620 11.478 1.00 0.00 H < ATOM 1431 HA GLN B 43 9.102 6.707 14.186 1.00 0.00 H < ATOM 1432 1HB GLN B 43 11.884 6.406 13.041 1.00 0.00 H < ATOM 1433 2HB GLN B 43 11.510 6.294 14.777 1.00 0.00 H < ATOM 1434 1HG GLN B 43 9.991 4.152 14.152 1.00 0.00 H < ATOM 1435 2HG GLN B 43 10.521 4.730 12.555 1.00 0.00 H < ATOM 1436 1HE2 GLN B 43 12.588 1.811 13.727 1.00 0.00 H < ATOM 1437 2HE2 GLN B 43 10.885 2.090 13.580 1.00 0.00 H < ATOM 1438 N GLN B 44 10.954 9.254 13.257 1.00 0.00 N < ATOM 1439 CA GLN B 44 11.297 10.631 13.621 1.00 0.00 C < ATOM 1440 C GLN B 44 10.045 11.505 13.784 1.00 0.00 C < ATOM 1441 O GLN B 44 10.036 12.435 14.591 1.00 0.00 O < ATOM 1442 CB GLN B 44 12.220 11.244 12.564 1.00 0.00 C < ATOM 1443 CG GLN B 44 12.759 12.617 12.929 1.00 0.00 C < ATOM 1444 CD GLN B 44 13.619 12.587 14.177 1.00 0.00 C < ATOM 1445 OE1 GLN B 44 14.471 11.709 14.341 1.00 0.00 O < ATOM 1446 NE2 GLN B 44 13.400 13.547 15.069 1.00 0.00 N < ATOM 1447 H GLN B 44 11.226 8.902 12.350 1.00 0.00 H < ATOM 1448 HA GLN B 44 11.800 10.637 14.588 1.00 0.00 H < ATOM 1449 1HB GLN B 44 13.048 10.547 12.427 1.00 0.00 H < ATOM 1450 2HB GLN B 44 11.643 11.308 11.642 1.00 0.00 H < ATOM 1451 1HG GLN B 44 13.241 13.272 12.205 1.00 0.00 H < ATOM 1452 2HG GLN B 44 11.783 13.026 13.192 1.00 0.00 H < ATOM 1453 1HE2 GLN B 44 13.937 13.579 15.913 1.00 0.00 H < ATOM 1454 2HE2 GLN B 44 12.699 14.239 14.898 1.00 0.00 H < ATOM 1455 N GLN B 45 8.999 11.199 13.019 1.00 0.00 N < ATOM 1456 CA GLN B 45 7.723 11.922 13.097 1.00 0.00 C < ATOM 1457 C GLN B 45 6.810 11.341 14.179 1.00 0.00 C < ATOM 1458 O GLN B 45 5.977 12.052 14.740 1.00 0.00 O < ATOM 1459 CB GLN B 45 7.004 11.884 11.746 1.00 0.00 C < ATOM 1460 CG GLN B 45 7.763 12.564 10.619 1.00 0.00 C < ATOM 1461 CD GLN B 45 8.088 14.012 10.931 1.00 0.00 C < ATOM 1462 OE1 GLN B 45 7.221 14.780 11.355 1.00 0.00 O < ATOM 1463 NE2 GLN B 45 9.342 14.396 10.718 1.00 0.00 N < ATOM 1464 H GLN B 45 9.094 10.438 12.361 1.00 0.00 H < ATOM 1465 HA GLN B 45 7.908 12.959 13.378 1.00 0.00 H < ATOM 1466 1HB GLN B 45 6.845 10.833 11.503 1.00 0.00 H < ATOM 1467 2HB GLN B 45 6.041 12.373 11.888 1.00 0.00 H < ATOM 1468 1HG GLN B 45 8.639 12.119 10.144 1.00 0.00 H < ATOM 1469 2HG GLN B 45 6.923 12.540 9.923 1.00 0.00 H < ATOM 1470 1HE2 GLN B 45 9.615 15.340 10.906 1.00 0.00 H < ATOM 1471 2HE2 GLN B 45 10.014 13.740 10.372 1.00 0.00 H < ATOM 1472 N THR B 46 6.969 10.047 14.463 1.00 0.00 N < ATOM 1473 CA THR B 46 6.140 9.346 15.449 1.00 0.00 C < ATOM 1474 C THR B 46 6.615 9.618 16.872 1.00 0.00 C < ATOM 1475 O THR B 46 7.001 10.736 17.208 1.00 0.00 O < ATOM 1476 OXT THR B 46 6.615 8.735 17.684 1.00 0.00 O < ATOM 1477 CB THR B 46 6.136 7.825 15.206 1.00 0.00 C < ATOM 1478 OG1 THR B 46 5.606 7.548 13.904 1.00 0.00 O < ATOM 1479 CG2 THR B 46 5.292 7.120 16.255 1.00 0.00 C < ATOM 1480 H THR B 46 7.692 9.536 13.976 1.00 0.00 H < ATOM 1481 HA THR B 46 5.114 9.710 15.393 1.00 0.00 H < ATOM 1482 HB THR B 46 7.160 7.455 15.258 1.00 0.00 H < ATOM 1483 HG1 THR B 46 5.370 8.373 13.473 1.00 0.00 H < ATOM 1484 1HG2 THR B 46 5.302 6.046 16.067 1.00 0.00 H < ATOM 1485 2HG2 THR B 46 5.700 7.319 17.245 1.00 0.00 H < ATOM 1486 3HG2 THR B 46 4.268 7.487 16.203 1.00 0.00 H < HETATM 1487 ZN ZN B 47 5.702 6.101 -7.697 1.00 0.00 ZN --- > HETATM 744 ZN ZN A 47 7.794 -0.790 6.278 1.00 0.00 ZN > TER > ATOM 746 N GLY B 1 12.415 15.677 9.453 1.00 0.00 N > ATOM 747 CA GLY B 1 11.259 15.608 8.519 1.00 0.00 C > ATOM 748 C GLY B 1 11.603 15.897 7.071 1.00 0.00 C > ATOM 749 O GLY B 1 11.842 14.976 6.294 1.00 0.00 O > ATOM 750 1H GLY B 1 12.407 16.329 10.211 1.00 0.00 H > ATOM 751 2H GLY B 1 12.678 14.871 9.984 1.00 0.00 H > ATOM 752 3H GLY B 1 13.326 15.900 9.106 1.00 0.00 H > ATOM 753 1HA GLY B 1 10.830 14.605 8.556 1.00 0.00 H > ATOM 754 2HA GLY B 1 10.509 16.334 8.826 1.00 0.00 H > ATOM 755 N SER B 2 11.627 17.180 6.711 1.00 0.00 N > ATOM 756 CA SER B 2 11.700 17.608 5.309 1.00 0.00 C > ATOM 757 C SER B 2 12.932 17.117 4.538 1.00 0.00 C > ATOM 758 O SER B 2 12.796 16.692 3.394 1.00 0.00 O > ATOM 759 CB SER B 2 11.641 19.123 5.253 1.00 0.00 C > ATOM 760 OG SER B 2 10.403 19.618 5.682 1.00 0.00 O > ATOM 761 H SER B 2 11.593 17.879 7.438 1.00 0.00 H > ATOM 762 HA SER B 2 10.824 17.324 4.723 1.00 0.00 H > ATOM 763 1HB SER B 2 12.425 19.524 5.895 1.00 0.00 H > ATOM 764 2HB SER B 2 11.815 19.441 4.226 1.00 0.00 H > ATOM 765 HG SER B 2 9.833 18.884 5.927 1.00 0.00 H > ATOM 766 N PRO B 3 14.132 17.193 5.141 1.00 0.00 N > ATOM 767 CA PRO B 3 15.306 16.629 4.458 1.00 0.00 C > ATOM 768 C PRO B 3 15.177 15.125 4.154 1.00 0.00 C > ATOM 769 O PRO B 3 15.544 14.687 3.054 1.00 0.00 O > ATOM 770 CB PRO B 3 16.454 16.912 5.432 1.00 0.00 C > ATOM 771 CG PRO B 3 15.782 17.135 6.743 1.00 0.00 C > ATOM 772 CD PRO B 3 14.444 17.737 6.410 1.00 0.00 C > ATOM 773 HA PRO B 3 15.479 17.076 3.468 1.00 0.00 H > ATOM 774 1HB PRO B 3 17.156 16.067 5.483 1.00 0.00 H > ATOM 775 2HB PRO B 3 17.034 17.795 5.126 1.00 0.00 H > ATOM 776 1HG PRO B 3 15.664 16.190 7.296 1.00 0.00 H > ATOM 777 2HG PRO B 3 16.371 17.808 7.383 1.00 0.00 H > ATOM 778 1HD PRO B 3 13.673 17.472 7.149 1.00 0.00 H > ATOM 779 2HD PRO B 3 14.483 18.835 6.365 1.00 0.00 H > ATOM 780 N LEU B 4 14.666 14.352 5.111 1.00 0.00 N > ATOM 781 CA LEU B 4 14.396 12.921 4.898 1.00 0.00 C > ATOM 782 C LEU B 4 13.363 12.710 3.795 1.00 0.00 C > ATOM 783 O LEU B 4 13.487 11.793 2.982 1.00 0.00 O > ATOM 784 CB LEU B 4 13.920 12.268 6.201 1.00 0.00 C > ATOM 785 CG LEU B 4 14.986 12.142 7.296 1.00 0.00 C > ATOM 786 CD1 LEU B 4 14.350 11.651 8.590 1.00 0.00 C > ATOM 787 CD2 LEU B 4 16.078 11.188 6.837 1.00 0.00 C > ATOM 788 H LEU B 4 14.458 14.762 6.010 1.00 0.00 H > ATOM 789 HA LEU B 4 15.307 12.423 4.567 1.00 0.00 H > ATOM 790 1HB LEU B 4 13.164 12.993 6.497 1.00 0.00 H > ATOM 791 2HB LEU B 4 13.445 11.303 6.019 1.00 0.00 H > ATOM 792 HG LEU B 4 15.435 13.126 7.425 1.00 0.00 H > ATOM 793 1HD1 LEU B 4 15.115 11.564 9.362 1.00 0.00 H > ATOM 794 2HD1 LEU B 4 13.588 12.360 8.913 1.00 0.00 H > ATOM 795 3HD1 LEU B 4 13.892 10.676 8.424 1.00 0.00 H > ATOM 796 1HD2 LEU B 4 16.835 11.100 7.616 1.00 0.00 H > ATOM 797 2HD2 LEU B 4 15.646 10.206 6.638 1.00 0.00 H > ATOM 798 3HD2 LEU B 4 16.538 11.571 5.926 1.00 0.00 H > ATOM 799 N LEU B 5 12.333 13.551 3.771 1.00 0.00 N > ATOM 800 CA LEU B 5 11.303 13.457 2.742 1.00 0.00 C > ATOM 801 C LEU B 5 11.875 13.750 1.348 1.00 0.00 C > ATOM 802 O LEU B 5 11.487 13.115 0.370 1.00 0.00 O > ATOM 803 CB LEU B 5 10.152 14.419 3.062 1.00 0.00 C > ATOM 804 CG LEU B 5 8.979 14.386 2.073 1.00 0.00 C > ATOM 805 CD1 LEU B 5 8.357 12.997 2.047 1.00 0.00 C > ATOM 806 CD2 LEU B 5 7.949 15.433 2.470 1.00 0.00 C > ATOM 807 H LEU B 5 12.259 14.270 4.477 1.00 0.00 H > ATOM 808 HA LEU B 5 10.916 12.438 2.705 1.00 0.00 H > ATOM 809 1HB LEU B 5 9.841 14.009 4.022 1.00 0.00 H > ATOM 810 2HB LEU B 5 10.505 15.439 3.200 1.00 0.00 H > ATOM 811 HG LEU B 5 9.373 14.661 1.094 1.00 0.00 H > ATOM 812 1HD1 LEU B 5 7.525 12.982 1.342 1.00 0.00 H > ATOM 813 2HD1 LEU B 5 9.106 12.268 1.738 1.00 0.00 H > ATOM 814 3HD1 LEU B 5 7.992 12.743 3.042 1.00 0.00 H > ATOM 815 1HD2 LEU B 5 7.117 15.408 1.765 1.00 0.00 H > ATOM 816 2HD2 LEU B 5 7.582 15.218 3.474 1.00 0.00 H > ATOM 817 3HD2 LEU B 5 8.409 16.420 2.454 1.00 0.00 H > ATOM 818 N GLN B 6 12.789 14.712 1.260 1.00 0.00 N > ATOM 819 CA GLN B 6 13.469 15.023 -0.001 1.00 0.00 C > ATOM 820 C GLN B 6 14.273 13.818 -0.499 1.00 0.00 C > ATOM 821 O GLN B 6 14.198 13.452 -1.681 1.00 0.00 O > ATOM 822 CB GLN B 6 14.396 16.230 0.171 1.00 0.00 C > ATOM 823 CG GLN B 6 13.669 17.551 0.357 1.00 0.00 C > ATOM 824 CD GLN B 6 14.617 18.697 0.652 1.00 0.00 C > ATOM 825 OE1 GLN B 6 15.826 18.497 0.805 1.00 0.00 O > ATOM 826 NE2 GLN B 6 14.075 19.907 0.737 1.00 0.00 N > ATOM 827 H GLN B 6 13.020 15.242 2.088 1.00 0.00 H > ATOM 828 HA GLN B 6 12.729 15.246 -0.769 1.00 0.00 H > ATOM 829 1HB GLN B 6 15.019 16.026 1.042 1.00 0.00 H > ATOM 830 2HB GLN B 6 15.020 16.276 -0.720 1.00 0.00 H > ATOM 831 1HG GLN B 6 12.914 17.912 -0.342 1.00 0.00 H > ATOM 832 2HG GLN B 6 13.186 17.254 1.289 1.00 0.00 H > ATOM 833 1HE2 GLN B 6 14.652 20.701 0.930 1.00 0.00 H > ATOM 834 2HE2 GLN B 6 13.090 20.024 0.608 1.00 0.00 H > ATOM 835 N GLN B 7 15.038 13.208 0.404 1.00 0.00 N > ATOM 836 CA GLN B 7 15.808 11.996 0.092 1.00 0.00 C > ATOM 837 C GLN B 7 14.888 10.863 -0.343 1.00 0.00 C > ATOM 838 O GLN B 7 15.180 10.153 -1.310 1.00 0.00 O > ATOM 839 CB GLN B 7 16.633 11.552 1.303 1.00 0.00 C > ATOM 840 CG GLN B 7 17.538 10.361 1.037 1.00 0.00 C > ATOM 841 CD GLN B 7 18.612 10.667 0.011 1.00 0.00 C > ATOM 842 OE1 GLN B 7 19.269 11.711 0.072 1.00 0.00 O > ATOM 843 NE2 GLN B 7 18.795 9.761 -0.941 1.00 0.00 N > ATOM 844 H GLN B 7 15.087 13.595 1.335 1.00 0.00 H > ATOM 845 HA GLN B 7 16.479 12.194 -0.743 1.00 0.00 H > ATOM 846 1HB GLN B 7 17.233 12.410 1.608 1.00 0.00 H > ATOM 847 2HB GLN B 7 15.925 11.306 2.094 1.00 0.00 H > ATOM 848 1HG GLN B 7 17.995 9.777 1.835 1.00 0.00 H > ATOM 849 2HG GLN B 7 16.760 9.767 0.554 1.00 0.00 H > ATOM 850 1HE2 GLN B 7 19.489 9.907 -1.646 1.00 0.00 H > ATOM 851 2HE2 GLN B 7 18.239 8.929 -0.954 1.00 0.00 H > ATOM 852 N ILE B 8 13.781 10.693 0.374 1.00 0.00 N > ATOM 853 CA ILE B 8 12.775 9.680 0.044 1.00 0.00 C > ATOM 854 C ILE B 8 12.158 9.924 -1.344 1.00 0.00 C > ATOM 855 O ILE B 8 12.016 8.979 -2.131 1.00 0.00 O > ATOM 856 CB ILE B 8 11.651 9.645 1.096 1.00 0.00 C > ATOM 857 CG1 ILE B 8 12.188 9.133 2.435 1.00 0.00 C > ATOM 858 CG2 ILE B 8 10.498 8.777 0.614 1.00 0.00 C > ATOM 859 CD1 ILE B 8 11.228 9.316 3.588 1.00 0.00 C > ATOM 860 H ILE B 8 13.635 11.289 1.176 1.00 0.00 H > ATOM 861 HA ILE B 8 13.233 8.694 -0.033 1.00 0.00 H > ATOM 862 HB ILE B 8 11.294 10.659 1.268 1.00 0.00 H > ATOM 863 1HG1 ILE B 8 12.410 8.073 2.311 1.00 0.00 H > ATOM 864 2HG1 ILE B 8 13.111 9.674 2.641 1.00 0.00 H > ATOM 865 1HG2 ILE B 8 9.713 8.762 1.370 1.00 0.00 H > ATOM 866 2HG2 ILE B 8 10.100 9.183 -0.314 1.00 0.00 H > ATOM 867 3HG2 ILE B 8 10.855 7.760 0.442 1.00 0.00 H > ATOM 868 1HD1 ILE B 8 11.679 8.930 4.503 1.00 0.00 H > ATOM 869 2HD1 ILE B 8 11.006 10.377 3.714 1.00 0.00 H > ATOM 870 3HD1 ILE B 8 10.305 8.775 3.384 1.00 0.00 H > ATOM 871 N HIS B 9 11.805 11.175 -1.648 1.00 0.00 N > ATOM 872 CA HIS B 9 11.304 11.530 -2.986 1.00 0.00 C > ATOM 873 C HIS B 9 12.310 11.118 -4.065 1.00 0.00 C > ATOM 874 O HIS B 9 11.941 10.594 -5.120 1.00 0.00 O > ATOM 875 CB HIS B 9 11.017 13.032 -3.083 1.00 0.00 C > ATOM 876 CG HIS B 9 9.836 13.472 -2.276 1.00 0.00 C > ATOM 877 ND1 HIS B 9 9.562 14.800 -2.021 1.00 0.00 N > ATOM 878 CD2 HIS B 9 8.858 12.762 -1.666 1.00 0.00 C > ATOM 879 CE1 HIS B 9 8.465 14.887 -1.288 1.00 0.00 C > ATOM 880 NE2 HIS B 9 8.020 13.665 -1.059 1.00 0.00 N > ATOM 881 H HIS B 9 11.882 11.895 -0.944 1.00 0.00 H > ATOM 882 HA HIS B 9 10.381 10.986 -3.189 1.00 0.00 H > ATOM 883 1HB HIS B 9 11.873 13.603 -2.721 1.00 0.00 H > ATOM 884 2HB HIS B 9 10.808 13.308 -4.117 1.00 0.00 H > ATOM 885 HD2 HIS B 9 8.656 11.693 -1.589 1.00 0.00 H > ATOM 886 HE1 HIS B 9 8.080 15.857 -0.980 1.00 0.00 H > ATOM 887 HE2 HIS B 9 7.197 13.423 -0.526 1.00 0.00 H > ATOM 888 N ASN B 10 13.582 11.394 -3.801 1.00 0.00 N > ATOM 889 CA ASN B 10 14.641 11.121 -4.766 1.00 0.00 C > ATOM 890 C ASN B 10 14.871 9.628 -4.987 1.00 0.00 C > ATOM 891 O ASN B 10 14.991 9.198 -6.133 1.00 0.00 O > ATOM 892 CB ASN B 10 15.939 11.787 -4.348 1.00 0.00 C > ATOM 893 CG ASN B 10 15.937 13.280 -4.522 1.00 0.00 C > ATOM 894 OD1 ASN B 10 15.143 13.835 -5.290 1.00 0.00 O > ATOM 895 ND2 ASN B 10 16.874 13.925 -3.875 1.00 0.00 N > ATOM 896 H ASN B 10 13.822 11.803 -2.910 1.00 0.00 H > ATOM 897 HA ASN B 10 14.362 11.518 -5.743 1.00 0.00 H > ATOM 898 1HB ASN B 10 16.413 11.538 -3.398 1.00 0.00 H > ATOM 899 2HB ASN B 10 16.505 11.338 -5.165 1.00 0.00 H > ATOM 900 1HD2 ASN B 10 16.933 14.921 -3.943 1.00 0.00 H > ATOM 901 2HD2 ASN B 10 17.529 13.422 -3.312 1.00 0.00 H > ATOM 902 N ILE B 11 14.925 8.833 -3.917 1.00 0.00 N > ATOM 903 CA ILE B 11 15.098 7.380 -4.082 1.00 0.00 C > ATOM 904 C ILE B 11 13.896 6.791 -4.820 1.00 0.00 C > ATOM 905 O ILE B 11 14.048 5.927 -5.688 1.00 0.00 O > ATOM 906 CB ILE B 11 15.267 6.661 -2.731 1.00 0.00 C > ATOM 907 CG1 ILE B 11 16.547 7.129 -2.034 1.00 0.00 C > ATOM 908 CG2 ILE B 11 15.287 5.154 -2.929 1.00 0.00 C > ATOM 909 CD1 ILE B 11 17.809 6.843 -2.816 1.00 0.00 C > ATOM 910 H ILE B 11 14.847 9.215 -2.986 1.00 0.00 H > ATOM 911 HA ILE B 11 15.962 7.166 -4.712 1.00 0.00 H > ATOM 912 HB ILE B 11 14.438 6.931 -2.079 1.00 0.00 H > ATOM 913 1HG1 ILE B 11 16.455 8.203 -1.873 1.00 0.00 H > ATOM 914 2HG1 ILE B 11 16.596 6.621 -1.071 1.00 0.00 H > ATOM 915 1HG2 ILE B 11 15.407 4.661 -1.964 1.00 0.00 H > ATOM 916 2HG2 ILE B 11 14.350 4.835 -3.384 1.00 0.00 H > ATOM 917 3HG2 ILE B 11 16.118 4.883 -3.581 1.00 0.00 H > ATOM 918 1HD1 ILE B 11 18.673 7.203 -2.258 1.00 0.00 H > ATOM 919 2HD1 ILE B 11 17.903 5.768 -2.976 1.00 0.00 H > ATOM 920 3HD1 ILE B 11 17.763 7.350 -3.779 1.00 0.00 H > ATOM 921 N HIS B 12 12.671 7.269 -4.496 1.00 0.00 N > ATOM 922 CA HIS B 12 11.479 6.838 -5.220 1.00 0.00 C > ATOM 923 C HIS B 12 11.597 7.154 -6.692 1.00 0.00 C > ATOM 924 O HIS B 12 11.248 6.317 -7.544 1.00 0.00 O > ATOM 925 CB HIS B 12 10.219 7.496 -4.650 1.00 0.00 C > ATOM 926 CG HIS B 12 9.034 7.415 -5.561 1.00 0.00 C > ATOM 927 ND1 HIS B 12 8.642 8.462 -6.370 1.00 0.00 N > ATOM 928 CD2 HIS B 12 8.155 6.412 -5.791 1.00 0.00 C > ATOM 929 CE1 HIS B 12 7.572 8.107 -7.057 1.00 0.00 C > ATOM 930 NE2 HIS B 12 7.256 6.867 -6.725 1.00 0.00 N > ATOM 931 H HIS B 12 12.574 7.934 -3.742 1.00 0.00 H > ATOM 932 HA HIS B 12 11.370 5.756 -5.141 1.00 0.00 H > ATOM 933 1HB HIS B 12 9.930 7.009 -3.718 1.00 0.00 H > ATOM 934 2HB HIS B 12 10.399 8.554 -4.465 1.00 0.00 H > ATOM 935 HD1 HIS B 12 9.127 9.329 -6.489 1.00 0.00 H > ATOM 936 HD2 HIS B 12 8.060 5.403 -5.391 1.00 0.00 H > ATOM 937 HE1 HIS B 12 7.106 8.801 -7.756 1.00 0.00 H > ATOM 938 N SER B 13 12.040 8.363 -7.031 1.00 0.00 N > ATOM 939 CA SER B 13 12.232 8.755 -8.434 1.00 0.00 C > ATOM 940 C SER B 13 13.263 7.878 -9.145 1.00 0.00 C > ATOM 941 O SER B 13 13.064 7.501 -10.301 1.00 0.00 O > ATOM 942 CB SER B 13 12.647 10.211 -8.512 1.00 0.00 C > ATOM 943 OG SER B 13 11.632 11.073 -8.077 1.00 0.00 O > ATOM 944 H SER B 13 12.250 9.027 -6.301 1.00 0.00 H > ATOM 945 HA SER B 13 11.307 8.760 -9.013 1.00 0.00 H > ATOM 946 1HB SER B 13 13.528 10.355 -7.886 1.00 0.00 H > ATOM 947 2HB SER B 13 12.895 10.448 -9.546 1.00 0.00 H > ATOM 948 HG SER B 13 10.866 10.556 -7.814 1.00 0.00 H > ATOM 949 N PHE B 14 14.359 7.545 -8.464 1.00 0.00 N > ATOM 950 CA PHE B 14 15.384 6.668 -9.052 1.00 0.00 C > ATOM 951 C PHE B 14 14.844 5.255 -9.328 1.00 0.00 C > ATOM 952 O PHE B 14 15.236 4.622 -10.309 1.00 0.00 O > ATOM 953 CB PHE B 14 16.604 6.589 -8.131 1.00 0.00 C > ATOM 954 CG PHE B 14 17.384 7.870 -8.048 1.00 0.00 C > ATOM 955 CD1 PHE B 14 17.201 8.872 -8.989 1.00 0.00 C > ATOM 956 CD2 PHE B 14 18.302 8.075 -7.030 1.00 0.00 C > ATOM 957 CE1 PHE B 14 17.918 10.052 -8.914 1.00 0.00 C > ATOM 958 CE2 PHE B 14 19.019 9.253 -6.951 1.00 0.00 C > ATOM 959 CZ PHE B 14 18.828 10.242 -7.894 1.00 0.00 C > ATOM 960 H PHE B 14 14.493 7.899 -7.529 1.00 0.00 H > ATOM 961 HA PHE B 14 15.701 7.063 -10.019 1.00 0.00 H > ATOM 962 1HB PHE B 14 16.293 6.346 -7.116 1.00 0.00 H > ATOM 963 2HB PHE B 14 17.295 5.826 -8.490 1.00 0.00 H > ATOM 964 HD1 PHE B 14 16.481 8.722 -9.794 1.00 0.00 H > ATOM 965 HD2 PHE B 14 18.455 7.293 -6.284 1.00 0.00 H > ATOM 966 HE1 PHE B 14 17.764 10.830 -9.659 1.00 0.00 H > ATOM 967 HE2 PHE B 14 19.737 9.401 -6.144 1.00 0.00 H > ATOM 968 HZ PHE B 14 19.395 11.170 -7.835 1.00 0.00 H > ATOM 969 N ILE B 15 13.969 4.749 -8.462 1.00 0.00 N > ATOM 970 CA ILE B 15 13.365 3.427 -8.669 1.00 0.00 C > ATOM 971 C ILE B 15 12.506 3.414 -9.950 1.00 0.00 C > ATOM 972 O ILE B 15 12.589 2.475 -10.747 1.00 0.00 O > ATOM 973 CB ILE B 15 12.496 3.008 -7.469 1.00 0.00 C > ATOM 974 CG1 ILE B 15 13.370 2.763 -6.237 1.00 0.00 C > ATOM 975 CG2 ILE B 15 11.688 1.764 -7.807 1.00 0.00 C > ATOM 976 CD1 ILE B 15 12.587 2.609 -4.954 1.00 0.00 C > ATOM 977 H ILE B 15 13.714 5.284 -7.644 1.00 0.00 H > ATOM 978 HA ILE B 15 14.135 2.675 -8.840 1.00 0.00 H > ATOM 979 HB ILE B 15 11.819 3.823 -7.218 1.00 0.00 H > ATOM 980 1HG1 ILE B 15 13.946 1.857 -6.422 1.00 0.00 H > ATOM 981 2HG1 ILE B 15 14.049 3.612 -6.148 1.00 0.00 H > ATOM 982 1HG2 ILE B 15 11.080 1.480 -6.948 1.00 0.00 H > ATOM 983 2HG2 ILE B 15 11.040 1.970 -8.657 1.00 0.00 H > ATOM 984 3HG2 ILE B 15 12.365 0.946 -8.057 1.00 0.00 H > ATOM 985 1HD1 ILE B 15 13.274 2.439 -4.125 1.00 0.00 H > ATOM 986 2HD1 ILE B 15 12.011 3.515 -4.767 1.00 0.00 H > ATOM 987 3HD1 ILE B 15 11.910 1.760 -5.040 1.00 0.00 H > ATOM 988 N HIS B 16 11.674 4.470 -10.164 1.00 0.00 N > ATOM 989 CA HIS B 16 10.861 4.550 -11.374 1.00 0.00 C > ATOM 990 C HIS B 16 11.732 4.613 -12.606 1.00 0.00 C > ATOM 991 O HIS B 16 11.427 3.978 -13.622 1.00 0.00 O > ATOM 992 CB HIS B 16 9.932 5.767 -11.326 1.00 0.00 C > ATOM 993 CG HIS B 16 8.633 5.505 -10.628 1.00 0.00 C > ATOM 994 ND1 HIS B 16 7.867 4.387 -10.878 1.00 0.00 N > ATOM 995 CD2 HIS B 16 7.966 6.219 -9.691 1.00 0.00 C > ATOM 996 CE1 HIS B 16 6.784 4.422 -10.122 1.00 0.00 C > ATOM 997 NE2 HIS B 16 6.819 5.523 -9.392 1.00 0.00 N > ATOM 998 H HIS B 16 11.613 5.211 -9.482 1.00 0.00 H > ATOM 999 HA HIS B 16 10.249 3.652 -11.467 1.00 0.00 H > ATOM 1000 1HB HIS B 16 10.414 6.587 -10.791 1.00 0.00 H > ATOM 1001 2HB HIS B 16 9.685 6.089 -12.337 1.00 0.00 H > ATOM 1002 HD1 HIS B 16 8.117 3.618 -11.468 1.00 0.00 H > ATOM 1003 HD2 HIS B 16 8.177 7.162 -9.188 1.00 0.00 H > ATOM 1004 HE1 HIS B 16 6.047 3.621 -10.171 1.00 0.00 H > ATOM 1005 N GLN B 17 12.787 5.411 -12.546 1.00 0.00 N > ATOM 1006 CA GLN B 17 13.691 5.552 -13.682 1.00 0.00 C > ATOM 1007 C GLN B 17 14.462 4.258 -13.964 1.00 0.00 C > ATOM 1008 O GLN B 17 14.666 3.894 -15.135 1.00 0.00 O > ATOM 1009 CB GLN B 17 14.677 6.697 -13.432 1.00 0.00 C > ATOM 1010 CG GLN B 17 14.048 8.078 -13.464 1.00 0.00 C > ATOM 1011 CD GLN B 17 15.036 9.172 -13.105 1.00 0.00 C > ATOM 1012 OE1 GLN B 17 16.182 8.898 -12.736 1.00 0.00 O > ATOM 1013 NE2 GLN B 17 14.597 10.422 -13.206 1.00 0.00 N > ATOM 1014 H GLN B 17 12.974 5.933 -11.700 1.00 0.00 H > ATOM 1015 HA GLN B 17 13.115 5.760 -14.583 1.00 0.00 H > ATOM 1016 1HB GLN B 17 15.126 6.517 -12.455 1.00 0.00 H > ATOM 1017 2HB GLN B 17 15.444 6.623 -14.203 1.00 0.00 H > ATOM 1018 1HG GLN B 17 13.445 8.432 -14.300 1.00 0.00 H > ATOM 1019 2HG GLN B 17 13.403 7.899 -12.603 1.00 0.00 H > ATOM 1020 1HE2 GLN B 17 15.204 11.185 -12.982 1.00 0.00 H > ATOM 1021 2HE2 GLN B 17 13.661 10.600 -13.507 1.00 0.00 H > ATOM 1022 N ALA B 18 14.887 3.566 -12.904 1.00 0.00 N > ATOM 1023 CA ALA B 18 15.597 2.286 -13.037 1.00 0.00 C > ATOM 1024 C ALA B 18 14.683 1.179 -13.572 1.00 0.00 C > ATOM 1025 O ALA B 18 15.111 0.330 -14.365 1.00 0.00 O > ATOM 1026 CB ALA B 18 16.196 1.875 -11.700 1.00 0.00 C > ATOM 1027 H ALA B 18 14.713 3.938 -11.982 1.00 0.00 H > ATOM 1028 HA ALA B 18 16.404 2.407 -13.759 1.00 0.00 H > ATOM 1029 1HB ALA B 18 16.719 0.925 -11.813 1.00 0.00 H > ATOM 1030 2HB ALA B 18 16.900 2.637 -11.366 1.00 0.00 H > ATOM 1031 3HB ALA B 18 15.402 1.765 -10.964 1.00 0.00 H > ATOM 1032 N LYS B 19 13.422 1.180 -13.145 1.00 0.00 N > ATOM 1033 CA LYS B 19 12.435 0.253 -13.701 1.00 0.00 C > ATOM 1034 C LYS B 19 12.218 0.533 -15.196 1.00 0.00 C > ATOM 1035 O LYS B 19 12.192 -0.402 -16.003 1.00 0.00 O > ATOM 1036 CB LYS B 19 11.111 0.356 -12.941 1.00 0.00 C > ATOM 1037 CG LYS B 19 11.137 -0.261 -11.548 1.00 0.00 C > ATOM 1038 CD LYS B 19 9.833 -0.004 -10.806 1.00 0.00 C > ATOM 1039 CE LYS B 19 8.670 -0.732 -11.463 1.00 0.00 C > ATOM 1040 NZ LYS B 19 7.398 -0.536 -10.715 1.00 0.00 N > ATOM 1041 H LYS B 19 13.136 1.829 -12.426 1.00 0.00 H > ATOM 1042 HA LYS B 19 12.803 -0.771 -13.619 1.00 0.00 H > ATOM 1043 1HB LYS B 19 10.868 1.416 -12.865 1.00 0.00 H > ATOM 1044 2HB LYS B 19 10.356 -0.147 -13.545 1.00 0.00 H > ATOM 1045 1HG LYS B 19 11.294 -1.336 -11.647 1.00 0.00 H > ATOM 1046 2HG LYS B 19 11.965 0.176 -10.991 1.00 0.00 H > ATOM 1047 1HD LYS B 19 9.945 -0.349 -9.778 1.00 0.00 H > ATOM 1048 2HD LYS B 19 9.638 1.068 -10.809 1.00 0.00 H > ATOM 1049 1HE LYS B 19 8.557 -0.353 -12.477 1.00 0.00 H > ATOM 1050 2HE LYS B 19 8.910 -1.796 -11.499 1.00 0.00 H > ATOM 1051 1HZ LYS B 19 6.654 -1.035 -11.181 1.00 0.00 H > ATOM 1052 2HZ LYS B 19 7.502 -0.890 -9.773 1.00 0.00 H > ATOM 1053 3HZ LYS B 19 7.175 0.448 -10.682 1.00 0.00 H > ATOM 1054 N ALA B 20 12.085 1.810 -15.558 1.00 0.00 N > ATOM 1055 CA ALA B 20 11.884 2.211 -16.958 1.00 0.00 C > ATOM 1056 C ALA B 20 13.057 1.823 -17.861 1.00 0.00 C > ATOM 1057 O ALA B 20 12.867 1.582 -19.060 1.00 0.00 O > ATOM 1058 CB ALA B 20 11.638 3.710 -17.040 1.00 0.00 C > ATOM 1059 H ALA B 20 12.125 2.522 -14.843 1.00 0.00 H > ATOM 1060 HA ALA B 20 11.010 1.689 -17.349 1.00 0.00 H > ATOM 1061 1HB ALA B 20 11.489 3.996 -18.081 1.00 0.00 H > ATOM 1062 2HB ALA B 20 10.749 3.965 -16.464 1.00 0.00 H > ATOM 1063 3HB ALA B 20 12.497 4.241 -16.637 1.00 0.00 H > ATOM 1064 N ALA B 21 14.258 1.765 -17.282 1.00 0.00 N > ATOM 1065 CA ALA B 21 15.471 1.350 -17.999 1.00 0.00 C > ATOM 1066 C ALA B 21 15.786 -0.142 -17.840 1.00 0.00 C > ATOM 1067 O ALA B 21 16.801 -0.616 -18.352 1.00 0.00 O > ATOM 1068 CB ALA B 21 16.657 2.184 -17.534 1.00 0.00 C > ATOM 1069 H ALA B 21 14.326 2.020 -16.307 1.00 0.00 H > ATOM 1070 HA ALA B 21 15.321 1.516 -19.066 1.00 0.00 H > ATOM 1071 1HB ALA B 21 17.554 1.871 -18.069 1.00 0.00 H > ATOM 1072 2HB ALA B 21 16.463 3.237 -17.736 1.00 0.00 H > ATOM 1073 3HB ALA B 21 16.805 2.041 -16.465 1.00 0.00 H > ATOM 1074 N GLY B 22 14.931 -0.883 -17.139 1.00 0.00 N > ATOM 1075 CA GLY B 22 15.123 -2.324 -16.957 1.00 0.00 C > ATOM 1076 C GLY B 22 16.354 -2.701 -16.150 1.00 0.00 C > ATOM 1077 O GLY B 22 17.024 -3.681 -16.471 1.00 0.00 O > ATOM 1078 H GLY B 22 14.127 -0.437 -16.720 1.00 0.00 H > ATOM 1079 1HA GLY B 22 14.257 -2.736 -16.437 1.00 0.00 H > ATOM 1080 2HA GLY B 22 15.218 -2.797 -17.933 1.00 0.00 H > ATOM 1081 N ARG B 23 16.643 -1.935 -15.099 1.00 0.00 N > ATOM 1082 CA ARG B 23 17.824 -2.173 -14.256 1.00 0.00 C > ATOM 1083 C ARG B 23 17.412 -2.794 -12.916 1.00 0.00 C > ATOM 1084 O ARG B 23 17.202 -2.075 -11.930 1.00 0.00 O > ATOM 1085 CB ARG B 23 18.658 -0.917 -14.058 1.00 0.00 C > ATOM 1086 CG ARG B 23 19.207 -0.305 -15.338 1.00 0.00 C > ATOM 1087 CD ARG B 23 19.839 1.027 -15.158 1.00 0.00 C > ATOM 1088 NE ARG B 23 21.120 0.996 -14.471 1.00 0.00 N > ATOM 1089 CZ ARG B 23 21.746 2.081 -13.973 1.00 0.00 C > ATOM 1090 NH1 ARG B 23 21.237 3.283 -14.116 1.00 0.00 N > ATOM 1091 NH2 ARG B 23 22.903 1.905 -13.356 1.00 0.00 N > ATOM 1092 H ARG B 23 16.027 -1.166 -14.877 1.00 0.00 H > ATOM 1093 HA ARG B 23 18.489 -2.886 -14.746 1.00 0.00 H > ATOM 1094 1HB ARG B 23 18.023 -0.189 -13.555 1.00 0.00 H > ATOM 1095 2HB ARG B 23 19.488 -1.187 -13.405 1.00 0.00 H > ATOM 1096 1HG ARG B 23 19.956 -0.980 -15.752 1.00 0.00 H > ATOM 1097 2HG ARG B 23 18.386 -0.196 -16.049 1.00 0.00 H > ATOM 1098 1HD ARG B 23 20.005 1.475 -16.137 1.00 0.00 H > ATOM 1099 2HD ARG B 23 19.171 1.659 -14.577 1.00 0.00 H > ATOM 1100 HE ARG B 23 21.721 0.210 -14.262 1.00 0.00 H > ATOM 1101 1HH1 ARG B 23 20.361 3.402 -14.605 1.00 0.00 H > ATOM 1102 2HH1 ARG B 23 21.722 4.082 -13.736 1.00 0.00 H > ATOM 1103 1HH2 ARG B 23 23.291 0.974 -13.271 1.00 0.00 H > ATOM 1104 2HH2 ARG B 23 23.395 2.699 -12.974 1.00 0.00 H > ATOM 1105 N MET B 24 17.319 -4.123 -12.883 1.00 0.00 N > ATOM 1106 CA MET B 24 16.703 -4.844 -11.761 1.00 0.00 C > ATOM 1107 C MET B 24 17.494 -4.765 -10.447 1.00 0.00 C > ATOM 1108 O MET B 24 16.900 -4.546 -9.386 1.00 0.00 O > ATOM 1109 CB MET B 24 16.506 -6.308 -12.150 1.00 0.00 C > ATOM 1110 CG MET B 24 15.433 -6.542 -13.204 1.00 0.00 C > ATOM 1111 SD MET B 24 13.794 -6.028 -12.652 1.00 0.00 S > ATOM 1112 CE MET B 24 13.465 -7.249 -11.384 1.00 0.00 C > ATOM 1113 H MET B 24 17.687 -4.650 -13.663 1.00 0.00 H > ATOM 1114 HA MET B 24 15.734 -4.406 -11.524 1.00 0.00 H > ATOM 1115 1HB MET B 24 17.465 -6.669 -12.521 1.00 0.00 H > ATOM 1116 2HB MET B 24 16.243 -6.847 -11.239 1.00 0.00 H > ATOM 1117 1HG MET B 24 15.704 -5.979 -14.095 1.00 0.00 H > ATOM 1118 2HG MET B 24 15.415 -7.607 -13.438 1.00 0.00 H > ATOM 1119 1HE MET B 24 12.484 -7.064 -10.947 1.00 0.00 H > ATOM 1120 2HE MET B 24 13.485 -8.247 -11.826 1.00 0.00 H > ATOM 1121 3HE MET B 24 14.228 -7.181 -10.607 1.00 0.00 H > ATOM 1122 N ASP B 25 18.813 -4.949 -10.504 1.00 0.00 N > ATOM 1123 CA ASP B 25 19.626 -4.868 -9.291 1.00 0.00 C > ATOM 1124 C ASP B 25 19.479 -3.494 -8.640 1.00 0.00 C > ATOM 1125 O ASP B 25 19.303 -3.392 -7.419 1.00 0.00 O > ATOM 1126 CB ASP B 25 21.097 -5.151 -9.605 1.00 0.00 C > ATOM 1127 CG ASP B 25 21.405 -6.610 -9.914 1.00 0.00 C > ATOM 1128 OD1 ASP B 25 20.561 -7.440 -9.669 1.00 0.00 O > ATOM 1129 OD2 ASP B 25 22.410 -6.866 -10.532 1.00 0.00 O > ATOM 1130 H ASP B 25 19.264 -5.147 -11.386 1.00 0.00 H > ATOM 1131 HA ASP B 25 19.279 -5.604 -8.565 1.00 0.00 H > ATOM 1132 1HB ASP B 25 21.501 -4.521 -10.397 1.00 0.00 H > ATOM 1133 2HB ASP B 25 21.552 -4.878 -8.653 1.00 0.00 H > ATOM 1134 N GLU B 26 19.533 -2.449 -9.466 1.00 0.00 N > ATOM 1135 CA GLU B 26 19.371 -1.060 -9.012 1.00 0.00 C > ATOM 1136 C GLU B 26 17.996 -0.835 -8.391 1.00 0.00 C > ATOM 1137 O GLU B 26 17.872 -0.222 -7.329 1.00 0.00 O > ATOM 1138 CB GLU B 26 19.583 -0.085 -10.173 1.00 0.00 C > ATOM 1139 CG GLU B 26 21.029 0.042 -10.632 1.00 0.00 C > ATOM 1140 CD GLU B 26 21.915 0.525 -9.517 1.00 0.00 C > ATOM 1141 OE1 GLU B 26 21.603 1.533 -8.931 1.00 0.00 O > ATOM 1142 OE2 GLU B 26 22.841 -0.173 -9.176 1.00 0.00 O > ATOM 1143 H GLU B 26 19.693 -2.632 -10.447 1.00 0.00 H > ATOM 1144 HA GLU B 26 20.103 -0.837 -8.235 1.00 0.00 H > ATOM 1145 1HB GLU B 26 18.971 -0.440 -11.003 1.00 0.00 H > ATOM 1146 2HB GLU B 26 19.221 0.888 -9.843 1.00 0.00 H > ATOM 1147 1HG GLU B 26 21.435 -0.882 -11.044 1.00 0.00 H > ATOM 1148 2HG GLU B 26 20.984 0.798 -11.413 1.00 0.00 H > ATOM 1149 N VAL B 27 16.953 -1.319 -9.058 1.00 0.00 N > ATOM 1150 CA VAL B 27 15.604 -1.225 -8.499 1.00 0.00 C > ATOM 1151 C VAL B 27 15.525 -1.901 -7.123 1.00 0.00 C > ATOM 1152 O VAL B 27 14.994 -1.307 -6.187 1.00 0.00 O > ATOM 1153 CB VAL B 27 14.561 -1.861 -9.436 1.00 0.00 C > ATOM 1154 CG1 VAL B 27 13.204 -1.936 -8.751 1.00 0.00 C > ATOM 1155 CG2 VAL B 27 14.459 -1.074 -10.733 1.00 0.00 C > ATOM 1156 H VAL B 27 17.083 -1.757 -9.959 1.00 0.00 H > ATOM 1157 HA VAL B 27 15.322 -0.188 -8.316 1.00 0.00 H > ATOM 1158 HB VAL B 27 14.888 -2.867 -9.700 1.00 0.00 H > ATOM 1159 1HG1 VAL B 27 12.479 -2.388 -9.428 1.00 0.00 H > ATOM 1160 2HG1 VAL B 27 13.285 -2.542 -7.849 1.00 0.00 H > ATOM 1161 3HG1 VAL B 27 12.875 -0.931 -8.487 1.00 0.00 H > ATOM 1162 1HG2 VAL B 27 13.718 -1.538 -11.384 1.00 0.00 H > ATOM 1163 2HG2 VAL B 27 14.159 -0.049 -10.514 1.00 0.00 H > ATOM 1164 3HG2 VAL B 27 15.428 -1.070 -11.234 1.00 0.00 H > ATOM 1165 N ARG B 28 16.044 -3.124 -6.987 1.00 0.00 N > ATOM 1166 CA ARG B 28 15.927 -3.855 -5.709 1.00 0.00 C > ATOM 1167 C ARG B 28 16.731 -3.235 -4.566 1.00 0.00 C > ATOM 1168 O ARG B 28 16.247 -3.188 -3.433 1.00 0.00 O > ATOM 1169 CB ARG B 28 16.279 -5.326 -5.872 1.00 0.00 C > ATOM 1170 CG ARG B 28 15.259 -6.146 -6.647 1.00 0.00 C > ATOM 1171 CD ARG B 28 15.650 -7.562 -6.863 1.00 0.00 C > ATOM 1172 NE ARG B 28 14.681 -8.347 -7.612 1.00 0.00 N > ATOM 1173 CZ ARG B 28 14.862 -9.627 -7.991 1.00 0.00 C > ATOM 1174 NH1 ARG B 28 15.985 -10.259 -7.728 1.00 0.00 N > ATOM 1175 NH2 ARG B 28 13.889 -10.225 -8.656 1.00 0.00 N > ATOM 1176 H ARG B 28 16.524 -3.561 -7.761 1.00 0.00 H > ATOM 1177 HA ARG B 28 14.891 -3.837 -5.367 1.00 0.00 H > ATOM 1178 1HB ARG B 28 17.239 -5.368 -6.385 1.00 0.00 H > ATOM 1179 2HB ARG B 28 16.385 -5.741 -4.870 1.00 0.00 H > ATOM 1180 1HG ARG B 28 14.317 -6.138 -6.098 1.00 0.00 H > ATOM 1181 2HG ARG B 28 15.114 -5.685 -7.624 1.00 0.00 H > ATOM 1182 1HD ARG B 28 16.589 -7.591 -7.414 1.00 0.00 H > ATOM 1183 2HD ARG B 28 15.782 -8.045 -5.895 1.00 0.00 H > ATOM 1184 HE ARG B 28 13.766 -8.086 -7.955 1.00 0.00 H > ATOM 1185 1HH1 ARG B 28 16.726 -9.782 -7.234 1.00 0.00 H > ATOM 1186 2HH1 ARG B 28 16.101 -11.219 -8.020 1.00 0.00 H > ATOM 1187 1HH2 ARG B 28 13.040 -9.720 -8.866 1.00 0.00 H > ATOM 1188 2HH2 ARG B 28 14.000 -11.184 -8.952 1.00 0.00 H > ATOM 1189 N THR B 29 17.943 -2.754 -4.838 1.00 0.00 N > ATOM 1190 CA THR B 29 18.718 -2.106 -3.780 1.00 0.00 C > ATOM 1191 C THR B 29 18.078 -0.775 -3.370 1.00 0.00 C > ATOM 1192 O THR B 29 17.991 -0.487 -2.172 1.00 0.00 O > ATOM 1193 CB THR B 29 20.173 -1.855 -4.215 1.00 0.00 C > ATOM 1194 OG1 THR B 29 20.812 -3.105 -4.498 1.00 0.00 O > ATOM 1195 CG2 THR B 29 20.942 -1.133 -3.119 1.00 0.00 C > ATOM 1196 H THR B 29 18.340 -2.827 -5.764 1.00 0.00 H > ATOM 1197 HA THR B 29 18.724 -2.735 -2.888 1.00 0.00 H > ATOM 1198 HB THR B 29 20.172 -1.245 -5.119 1.00 0.00 H > ATOM 1199 HG1 THR B 29 20.190 -3.823 -4.353 1.00 0.00 H > ATOM 1200 1HG2 THR B 29 21.968 -0.965 -3.446 1.00 0.00 H > ATOM 1201 2HG2 THR B 29 20.464 -0.176 -2.910 1.00 0.00 H > ATOM 1202 3HG2 THR B 29 20.944 -1.742 -2.216 1.00 0.00 H > ATOM 1203 N LEU B 30 17.628 0.020 -4.348 1.00 0.00 N > ATOM 1204 CA LEU B 30 16.901 1.268 -4.045 1.00 0.00 C > ATOM 1205 C LEU B 30 15.587 1.013 -3.286 1.00 0.00 C > ATOM 1206 O LEU B 30 15.211 1.806 -2.418 1.00 0.00 O > ATOM 1207 CB LEU B 30 16.618 2.036 -5.342 1.00 0.00 C > ATOM 1208 CG LEU B 30 17.852 2.632 -6.031 1.00 0.00 C > ATOM 1209 CD1 LEU B 30 17.466 3.209 -7.386 1.00 0.00 C > ATOM 1210 CD2 LEU B 30 18.462 3.706 -5.142 1.00 0.00 C > ATOM 1211 H LEU B 30 17.786 -0.236 -5.312 1.00 0.00 H > ATOM 1212 HA LEU B 30 17.506 1.892 -3.386 1.00 0.00 H > ATOM 1213 1HB LEU B 30 16.212 1.223 -5.942 1.00 0.00 H > ATOM 1214 2HB LEU B 30 15.855 2.800 -5.201 1.00 0.00 H > ATOM 1215 HG LEU B 30 18.584 1.830 -6.135 1.00 0.00 H > ATOM 1216 1HD1 LEU B 30 18.349 3.630 -7.867 1.00 0.00 H > ATOM 1217 2HD1 LEU B 30 17.055 2.418 -8.013 1.00 0.00 H > ATOM 1218 3HD1 LEU B 30 16.721 3.991 -7.249 1.00 0.00 H > ATOM 1219 1HD2 LEU B 30 19.339 4.128 -5.632 1.00 0.00 H > ATOM 1220 2HD2 LEU B 30 17.728 4.493 -4.966 1.00 0.00 H > ATOM 1221 3HD2 LEU B 30 18.756 3.265 -4.188 1.00 0.00 H > ATOM 1222 N GLN B 31 14.876 -0.061 -3.622 1.00 0.00 N > ATOM 1223 CA GLN B 31 13.644 -0.385 -2.894 1.00 0.00 C > ATOM 1224 C GLN B 31 13.919 -0.685 -1.419 1.00 0.00 C > ATOM 1225 O GLN B 31 13.131 -0.297 -0.553 1.00 0.00 O > ATOM 1226 CB GLN B 31 12.943 -1.583 -3.540 1.00 0.00 C > ATOM 1227 CG GLN B 31 11.589 -1.913 -2.934 1.00 0.00 C > ATOM 1228 CD GLN B 31 10.585 -0.791 -3.118 1.00 0.00 C > ATOM 1229 OE1 GLN B 31 10.457 -0.226 -4.208 1.00 0.00 O > ATOM 1230 NE2 GLN B 31 9.868 -0.460 -2.051 1.00 0.00 N > ATOM 1231 H GLN B 31 15.175 -0.664 -4.377 1.00 0.00 H > ATOM 1232 HA GLN B 31 12.975 0.475 -2.910 1.00 0.00 H > ATOM 1233 1HB GLN B 31 12.827 -1.348 -4.598 1.00 0.00 H > ATOM 1234 2HB GLN B 31 13.613 -2.437 -3.431 1.00 0.00 H > ATOM 1235 1HG GLN B 31 11.075 -2.857 -3.117 1.00 0.00 H > ATOM 1236 2HG GLN B 31 11.948 -1.891 -1.904 1.00 0.00 H > ATOM 1237 1HE2 GLN B 31 9.189 0.273 -2.112 1.00 0.00 H > ATOM 1238 2HE2 GLN B 31 10.004 -0.944 -1.186 1.00 0.00 H > ATOM 1239 N GLU B 32 15.037 -1.349 -1.127 1.00 0.00 N > ATOM 1240 CA GLU B 32 15.440 -1.605 0.256 1.00 0.00 C > ATOM 1241 C GLU B 32 15.940 -0.325 0.948 1.00 0.00 C > ATOM 1242 O GLU B 32 15.630 -0.097 2.118 1.00 0.00 O > ATOM 1243 CB GLU B 32 16.522 -2.685 0.300 1.00 0.00 C > ATOM 1244 CG GLU B 32 16.036 -4.079 -0.072 1.00 0.00 C > ATOM 1245 CD GLU B 32 17.172 -5.062 -0.110 1.00 0.00 C > ATOM 1246 OE1 GLU B 32 18.293 -4.654 0.081 1.00 0.00 O > ATOM 1247 OE2 GLU B 32 16.911 -6.237 -0.217 1.00 0.00 O > ATOM 1248 H GLU B 32 15.621 -1.684 -1.880 1.00 0.00 H > ATOM 1249 HA GLU B 32 14.581 -1.946 0.834 1.00 0.00 H > ATOM 1250 1HB GLU B 32 17.306 -2.379 -0.393 1.00 0.00 H > ATOM 1251 2HB GLU B 32 16.919 -2.699 1.315 1.00 0.00 H > ATOM 1252 1HG GLU B 32 15.254 -4.456 0.586 1.00 0.00 H > ATOM 1253 2HG GLU B 32 15.634 -3.951 -1.076 1.00 0.00 H > ATOM 1254 N ASN B 33 16.679 0.520 0.229 1.00 0.00 N > ATOM 1255 CA ASN B 33 17.059 1.837 0.751 1.00 0.00 C > ATOM 1256 C ASN B 33 15.836 2.686 1.085 1.00 0.00 C > ATOM 1257 O ASN B 33 15.780 3.325 2.139 1.00 0.00 O > ATOM 1258 CB ASN B 33 17.957 2.580 -0.221 1.00 0.00 C > ATOM 1259 CG ASN B 33 19.355 2.030 -0.296 1.00 0.00 C > ATOM 1260 OD1 ASN B 33 19.813 1.320 0.607 1.00 0.00 O > ATOM 1261 ND2 ASN B 33 20.061 2.420 -1.326 1.00 0.00 N > ATOM 1262 H ASN B 33 16.983 0.250 -0.695 1.00 0.00 H > ATOM 1263 HA ASN B 33 17.613 1.718 1.684 1.00 0.00 H > ATOM 1264 1HB ASN B 33 17.612 2.818 -1.228 1.00 0.00 H > ATOM 1265 2HB ASN B 33 17.968 3.486 0.384 1.00 0.00 H > ATOM 1266 1HD2 ASN B 33 21.000 2.093 -1.440 1.00 0.00 H > ATOM 1267 2HD2 ASN B 33 19.663 3.043 -1.997 1.00 0.00 H > ATOM 1268 N LEU B 34 14.873 2.700 0.163 1.00 0.00 N > ATOM 1269 CA LEU B 34 13.618 3.447 0.337 1.00 0.00 C > ATOM 1270 C LEU B 34 12.861 2.986 1.580 1.00 0.00 C > ATOM 1271 O LEU B 34 12.425 3.814 2.380 1.00 0.00 O > ATOM 1272 CB LEU B 34 12.734 3.296 -0.907 1.00 0.00 C > ATOM 1273 CG LEU B 34 11.386 4.026 -0.842 1.00 0.00 C > ATOM 1274 CD1 LEU B 34 11.611 5.526 -0.703 1.00 0.00 C > ATOM 1275 CD2 LEU B 34 10.578 3.716 -2.093 1.00 0.00 C > ATOM 1276 H LEU B 34 15.018 2.173 -0.686 1.00 0.00 H > ATOM 1277 HA LEU B 34 13.840 4.502 0.487 1.00 0.00 H > ATOM 1278 1HB LEU B 34 13.381 3.772 -1.643 1.00 0.00 H > ATOM 1279 2HB LEU B 34 12.588 2.249 -1.174 1.00 0.00 H > ATOM 1280 HG LEU B 34 10.842 3.625 0.014 1.00 0.00 H > ATOM 1281 1HD1 LEU B 34 10.648 6.035 -0.657 1.00 0.00 H > ATOM 1282 2HD1 LEU B 34 12.170 5.726 0.211 1.00 0.00 H > ATOM 1283 3HD1 LEU B 34 12.173 5.890 -1.561 1.00 0.00 H > ATOM 1284 1HD2 LEU B 34 9.620 4.234 -2.045 1.00 0.00 H > ATOM 1285 2HD2 LEU B 34 11.128 4.049 -2.973 1.00 0.00 H > ATOM 1286 3HD2 LEU B 34 10.405 2.641 -2.158 1.00 0.00 H > ATOM 1287 N HIS B 35 12.698 1.642 1.753 1.00 0.00 N > ATOM 1288 CA HIS B 35 11.975 1.100 2.901 1.00 0.00 C > ATOM 1289 C HIS B 35 12.634 1.510 4.196 1.00 0.00 C > ATOM 1290 O HIS B 35 11.952 1.905 5.150 1.00 0.00 O > ATOM 1291 CB HIS B 35 11.888 -0.428 2.821 1.00 0.00 C > ATOM 1292 CG HIS B 35 10.764 -1.009 3.621 1.00 0.00 C > ATOM 1293 ND1 HIS B 35 10.512 -2.363 3.677 1.00 0.00 N > ATOM 1294 CD2 HIS B 35 9.823 -0.419 4.397 1.00 0.00 C > ATOM 1295 CE1 HIS B 35 9.467 -2.582 4.454 1.00 0.00 C > ATOM 1296 NE2 HIS B 35 9.031 -1.419 4.903 1.00 0.00 N > ATOM 1297 H HIS B 35 13.086 1.006 1.071 1.00 0.00 H > ATOM 1298 HA HIS B 35 10.962 1.501 2.922 1.00 0.00 H > ATOM 1299 1HB HIS B 35 11.730 -0.743 1.789 1.00 0.00 H > ATOM 1300 2HB HIS B 35 12.806 -0.876 3.200 1.00 0.00 H > ATOM 1301 HD1 HIS B 35 11.072 -3.085 3.271 1.00 0.00 H > ATOM 1302 HD2 HIS B 35 9.622 0.621 4.655 1.00 0.00 H > ATOM 1303 HE1 HIS B 35 9.108 -3.596 4.628 1.00 0.00 H > ATOM 1304 N GLN B 36 13.953 1.378 4.262 1.00 0.00 N > ATOM 1305 CA GLN B 36 14.709 1.746 5.457 1.00 0.00 C > ATOM 1306 C GLN B 36 14.603 3.242 5.782 1.00 0.00 C > ATOM 1307 O GLN B 36 14.408 3.606 6.950 1.00 0.00 O > ATOM 1308 CB GLN B 36 16.181 1.363 5.285 1.00 0.00 C > ATOM 1309 CG GLN B 36 16.442 -0.134 5.303 1.00 0.00 C > ATOM 1310 CD GLN B 36 17.891 -0.473 5.010 1.00 0.00 C > ATOM 1311 OE1 GLN B 36 18.698 0.407 4.699 1.00 0.00 O > ATOM 1312 NE2 GLN B 36 18.228 -1.754 5.103 1.00 0.00 N > ATOM 1313 H GLN B 36 14.447 1.013 3.460 1.00 0.00 H > ATOM 1314 HA GLN B 36 14.298 1.226 6.323 1.00 0.00 H > ATOM 1315 1HB GLN B 36 16.505 1.782 4.332 1.00 0.00 H > ATOM 1316 2HB GLN B 36 16.728 1.841 6.096 1.00 0.00 H > ATOM 1317 1HG GLN B 36 16.105 -0.782 6.112 1.00 0.00 H > ATOM 1318 2HG GLN B 36 15.852 -0.336 4.408 1.00 0.00 H > ATOM 1319 1HE2 GLN B 36 19.170 -2.040 4.920 1.00 0.00 H > ATOM 1320 2HE2 GLN B 36 17.541 -2.436 5.356 1.00 0.00 H > ATOM 1321 N LEU B 37 14.700 4.110 4.766 1.00 0.00 N > ATOM 1322 CA LEU B 37 14.588 5.557 4.985 1.00 0.00 C > ATOM 1323 C LEU B 37 13.173 5.966 5.384 1.00 0.00 C > ATOM 1324 O LEU B 37 12.999 6.891 6.181 1.00 0.00 O > ATOM 1325 CB LEU B 37 15.018 6.315 3.723 1.00 0.00 C > ATOM 1326 CG LEU B 37 16.512 6.224 3.384 1.00 0.00 C > ATOM 1327 CD1 LEU B 37 16.780 6.871 2.031 1.00 0.00 C > ATOM 1328 CD2 LEU B 37 17.324 6.904 4.477 1.00 0.00 C > ATOM 1329 H LEU B 37 14.853 3.764 3.830 1.00 0.00 H > ATOM 1330 HA LEU B 37 15.231 5.852 5.812 1.00 0.00 H > ATOM 1331 1HB LEU B 37 14.433 5.772 2.982 1.00 0.00 H > ATOM 1332 2HB LEU B 37 14.697 7.356 3.748 1.00 0.00 H > ATOM 1333 HG LEU B 37 16.779 5.167 3.378 1.00 0.00 H > ATOM 1334 1HD1 LEU B 37 17.843 6.801 1.799 1.00 0.00 H > ATOM 1335 2HD1 LEU B 37 16.206 6.355 1.261 1.00 0.00 H > ATOM 1336 3HD1 LEU B 37 16.483 7.919 2.065 1.00 0.00 H > ATOM 1337 1HD2 LEU B 37 18.385 6.838 4.235 1.00 0.00 H > ATOM 1338 2HD2 LEU B 37 17.032 7.951 4.549 1.00 0.00 H > ATOM 1339 3HD2 LEU B 37 17.138 6.408 5.430 1.00 0.00 H > ATOM 1340 N GLN B 38 12.164 5.290 4.837 1.00 0.00 N > ATOM 1341 CA GLN B 38 10.783 5.583 5.206 1.00 0.00 C > ATOM 1342 C GLN B 38 10.523 5.256 6.676 1.00 0.00 C > ATOM 1343 O GLN B 38 9.812 6.003 7.349 1.00 0.00 O > ATOM 1344 CB GLN B 38 9.813 4.793 4.322 1.00 0.00 C > ATOM 1345 CG GLN B 38 8.350 5.130 4.550 1.00 0.00 C > ATOM 1346 CD GLN B 38 8.026 6.572 4.208 1.00 0.00 C > ATOM 1347 OE1 GLN B 38 8.443 7.086 3.166 1.00 0.00 O > ATOM 1348 NE2 GLN B 38 7.286 7.235 5.088 1.00 0.00 N > ATOM 1349 H GLN B 38 12.350 4.565 4.157 1.00 0.00 H > ATOM 1350 HA GLN B 38 10.591 6.648 5.087 1.00 0.00 H > ATOM 1351 1HB GLN B 38 10.085 5.007 3.288 1.00 0.00 H > ATOM 1352 2HB GLN B 38 9.986 3.737 4.530 1.00 0.00 H > ATOM 1353 1HG GLN B 38 7.536 4.507 4.177 1.00 0.00 H > ATOM 1354 2HG GLN B 38 8.407 5.036 5.634 1.00 0.00 H > ATOM 1355 1HE2 GLN B 38 7.040 8.190 4.917 1.00 0.00 H > ATOM 1356 2HE2 GLN B 38 6.971 6.779 5.922 1.00 0.00 H > ATOM 1357 N HIS B 39 11.110 4.150 7.201 1.00 0.00 N > ATOM 1358 CA HIS B 39 10.961 3.864 8.625 1.00 0.00 C > ATOM 1359 C HIS B 39 11.632 4.926 9.462 1.00 0.00 C > ATOM 1360 O HIS B 39 11.103 5.316 10.507 1.00 0.00 O > ATOM 1361 CB HIS B 39 11.538 2.485 8.967 1.00 0.00 C > ATOM 1362 CG HIS B 39 10.648 1.347 8.577 1.00 0.00 C > ATOM 1363 ND1 HIS B 39 10.607 0.162 9.281 1.00 0.00 N > ATOM 1364 CD2 HIS B 39 9.767 1.213 7.557 1.00 0.00 C > ATOM 1365 CE1 HIS B 39 9.736 -0.654 8.711 1.00 0.00 C > ATOM 1366 NE2 HIS B 39 9.214 -0.040 7.665 1.00 0.00 N > ATOM 1367 H HIS B 39 11.649 3.517 6.626 1.00 0.00 H > ATOM 1368 HA HIS B 39 9.904 3.870 8.894 1.00 0.00 H > ATOM 1369 1HB HIS B 39 12.485 2.334 8.445 1.00 0.00 H > ATOM 1370 2HB HIS B 39 11.699 2.403 10.041 1.00 0.00 H > ATOM 1371 HD1 HIS B 39 11.085 -0.036 10.137 1.00 0.00 H > ATOM 1372 HD2 HIS B 39 9.462 1.877 6.750 1.00 0.00 H > ATOM 1373 HE1 HIS B 39 9.556 -1.648 9.122 1.00 0.00 H > ATOM 1374 N GLU B 40 12.816 5.372 9.049 1.00 0.00 N > ATOM 1375 CA GLU B 40 13.492 6.457 9.758 1.00 0.00 C > ATOM 1376 C GLU B 40 12.633 7.727 9.794 1.00 0.00 C > ATOM 1377 O GLU B 40 12.531 8.386 10.840 1.00 0.00 O > ATOM 1378 CB GLU B 40 14.845 6.755 9.108 1.00 0.00 C > ATOM 1379 CG GLU B 40 15.654 7.837 9.808 1.00 0.00 C > ATOM 1380 CD GLU B 40 16.986 8.039 9.142 1.00 0.00 C > ATOM 1381 OE1 GLU B 40 17.265 7.349 8.190 1.00 0.00 O > ATOM 1382 OE2 GLU B 40 17.680 8.957 9.513 1.00 0.00 O > ATOM 1383 H GLU B 40 13.259 4.962 8.239 1.00 0.00 H > ATOM 1384 HA GLU B 40 13.659 6.171 10.798 1.00 0.00 H > ATOM 1385 1HB GLU B 40 15.410 5.823 9.107 1.00 0.00 H > ATOM 1386 2HB GLU B 40 14.644 7.059 8.081 1.00 0.00 H > ATOM 1387 1HG GLU B 40 15.134 8.791 9.876 1.00 0.00 H > ATOM 1388 2HG GLU B 40 15.806 7.435 10.809 1.00 0.00 H > ATOM 1389 N TYR B 41 12.026 8.073 8.659 1.00 0.00 N > ATOM 1390 CA TYR B 41 11.140 9.244 8.583 1.00 0.00 C > ATOM 1391 C TYR B 41 9.930 9.079 9.510 1.00 0.00 C > ATOM 1392 O TYR B 41 9.590 10.001 10.265 1.00 0.00 O > ATOM 1393 CB TYR B 41 10.672 9.472 7.143 1.00 0.00 C > ATOM 1394 CG TYR B 41 9.727 10.642 6.984 1.00 0.00 C > ATOM 1395 CD1 TYR B 41 10.205 11.944 6.948 1.00 0.00 C > ATOM 1396 CD2 TYR B 41 8.360 10.441 6.868 1.00 0.00 C > ATOM 1397 CE1 TYR B 41 9.346 13.016 6.803 1.00 0.00 C > ATOM 1398 CE2 TYR B 41 7.492 11.505 6.721 1.00 0.00 C > ATOM 1399 CZ TYR B 41 7.989 12.793 6.689 1.00 0.00 C > ATOM 1400 OH TYR B 41 7.129 13.856 6.542 1.00 0.00 O > ATOM 1401 H TYR B 41 12.178 7.516 7.831 1.00 0.00 H > ATOM 1402 HA TYR B 41 11.673 10.133 8.919 1.00 0.00 H > ATOM 1403 1HB TYR B 41 11.563 9.638 6.537 1.00 0.00 H > ATOM 1404 2HB TYR B 41 10.177 8.557 6.817 1.00 0.00 H > ATOM 1405 HD1 TYR B 41 11.278 12.112 7.039 1.00 0.00 H > ATOM 1406 HD2 TYR B 41 7.973 9.422 6.895 1.00 0.00 H > ATOM 1407 HE1 TYR B 41 9.736 14.033 6.776 1.00 0.00 H > ATOM 1408 HE2 TYR B 41 6.421 11.326 6.631 1.00 0.00 H > ATOM 1409 HH TYR B 41 6.210 13.589 6.472 1.00 0.00 H > ATOM 1410 N ASP B 42 9.288 7.912 9.457 1.00 0.00 N > ATOM 1411 CA ASP B 42 8.096 7.644 10.271 1.00 0.00 C > ATOM 1412 C ASP B 42 8.414 7.676 11.770 1.00 0.00 C > ATOM 1413 O ASP B 42 7.649 8.246 12.554 1.00 0.00 O > ATOM 1414 CB ASP B 42 7.487 6.291 9.895 1.00 0.00 C > ATOM 1415 CG ASP B 42 6.780 6.272 8.547 1.00 0.00 C > ATOM 1416 OD1 ASP B 42 6.547 7.326 8.005 1.00 0.00 O > ATOM 1417 OD2 ASP B 42 6.619 5.208 7.999 1.00 0.00 O > ATOM 1418 H ASP B 42 9.633 7.191 8.838 1.00 0.00 H > ATOM 1419 HA ASP B 42 7.351 8.421 10.101 1.00 0.00 H > ATOM 1420 1HB ASP B 42 8.198 5.465 9.944 1.00 0.00 H > ATOM 1421 2HB ASP B 42 6.751 6.184 10.692 1.00 0.00 H > ATOM 1422 N GLN B 43 9.535 7.073 12.164 1.00 0.00 N > ATOM 1423 CA GLN B 43 9.936 7.051 13.575 1.00 0.00 C > ATOM 1424 C GLN B 43 10.292 8.453 14.090 1.00 0.00 C > ATOM 1425 O GLN B 43 9.949 8.803 15.225 1.00 0.00 O > ATOM 1426 CB GLN B 43 11.130 6.114 13.772 1.00 0.00 C > ATOM 1427 CG GLN B 43 10.798 4.640 13.606 1.00 0.00 C > ATOM 1428 CD GLN B 43 12.027 3.756 13.704 1.00 0.00 C > ATOM 1429 OE1 GLN B 43 13.155 4.246 13.806 1.00 0.00 O > ATOM 1430 NE2 GLN B 43 11.816 2.445 13.667 1.00 0.00 N > ATOM 1431 H GLN B 43 10.122 6.620 11.478 1.00 0.00 H > ATOM 1432 HA GLN B 43 9.102 6.707 14.186 1.00 0.00 H > ATOM 1433 1HB GLN B 43 11.884 6.406 13.041 1.00 0.00 H > ATOM 1434 2HB GLN B 43 11.510 6.294 14.777 1.00 0.00 H > ATOM 1435 1HG GLN B 43 9.991 4.152 14.152 1.00 0.00 H > ATOM 1436 2HG GLN B 43 10.521 4.730 12.555 1.00 0.00 H > ATOM 1437 1HE2 GLN B 43 12.588 1.811 13.727 1.00 0.00 H > ATOM 1438 2HE2 GLN B 43 10.885 2.090 13.580 1.00 0.00 H > ATOM 1439 N GLN B 44 10.954 9.254 13.257 1.00 0.00 N > ATOM 1440 CA GLN B 44 11.297 10.631 13.621 1.00 0.00 C > ATOM 1441 C GLN B 44 10.045 11.505 13.784 1.00 0.00 C > ATOM 1442 O GLN B 44 10.036 12.435 14.591 1.00 0.00 O > ATOM 1443 CB GLN B 44 12.220 11.244 12.564 1.00 0.00 C > ATOM 1444 CG GLN B 44 12.759 12.617 12.929 1.00 0.00 C > ATOM 1445 CD GLN B 44 13.619 12.587 14.177 1.00 0.00 C > ATOM 1446 OE1 GLN B 44 14.471 11.709 14.341 1.00 0.00 O > ATOM 1447 NE2 GLN B 44 13.400 13.547 15.069 1.00 0.00 N > ATOM 1448 H GLN B 44 11.226 8.902 12.350 1.00 0.00 H > ATOM 1449 HA GLN B 44 11.800 10.637 14.588 1.00 0.00 H > ATOM 1450 1HB GLN B 44 13.048 10.547 12.427 1.00 0.00 H > ATOM 1451 2HB GLN B 44 11.643 11.308 11.642 1.00 0.00 H > ATOM 1452 1HG GLN B 44 13.241 13.272 12.205 1.00 0.00 H > ATOM 1453 2HG GLN B 44 11.783 13.026 13.192 1.00 0.00 H > ATOM 1454 1HE2 GLN B 44 13.937 13.579 15.913 1.00 0.00 H > ATOM 1455 2HE2 GLN B 44 12.699 14.239 14.898 1.00 0.00 H > ATOM 1456 N GLN B 45 8.999 11.199 13.019 1.00 0.00 N > ATOM 1457 CA GLN B 45 7.723 11.922 13.097 1.00 0.00 C > ATOM 1458 C GLN B 45 6.810 11.341 14.179 1.00 0.00 C > ATOM 1459 O GLN B 45 5.977 12.052 14.740 1.00 0.00 O > ATOM 1460 CB GLN B 45 7.004 11.884 11.746 1.00 0.00 C > ATOM 1461 CG GLN B 45 7.763 12.564 10.619 1.00 0.00 C > ATOM 1462 CD GLN B 45 8.088 14.012 10.931 1.00 0.00 C > ATOM 1463 OE1 GLN B 45 7.221 14.780 11.355 1.00 0.00 O > ATOM 1464 NE2 GLN B 45 9.342 14.396 10.718 1.00 0.00 N > ATOM 1465 H GLN B 45 9.094 10.438 12.361 1.00 0.00 H > ATOM 1466 HA GLN B 45 7.908 12.959 13.378 1.00 0.00 H > ATOM 1467 1HB GLN B 45 6.845 10.833 11.503 1.00 0.00 H > ATOM 1468 2HB GLN B 45 6.041 12.373 11.888 1.00 0.00 H > ATOM 1469 1HG GLN B 45 8.639 12.119 10.144 1.00 0.00 H > ATOM 1470 2HG GLN B 45 6.923 12.540 9.923 1.00 0.00 H > ATOM 1471 1HE2 GLN B 45 9.615 15.340 10.906 1.00 0.00 H > ATOM 1472 2HE2 GLN B 45 10.014 13.740 10.372 1.00 0.00 H > ATOM 1473 N THR B 46 6.969 10.047 14.463 1.00 0.00 N > ATOM 1474 CA THR B 46 6.140 9.346 15.449 1.00 0.00 C > ATOM 1475 C THR B 46 6.615 9.618 16.872 1.00 0.00 C > ATOM 1476 O THR B 46 7.001 10.736 17.208 1.00 0.00 O > ATOM 1477 OXT THR B 46 6.615 8.735 17.684 1.00 0.00 O > ATOM 1478 CB THR B 46 6.136 7.825 15.206 1.00 0.00 C > ATOM 1479 OG1 THR B 46 5.606 7.548 13.904 1.00 0.00 O > ATOM 1480 CG2 THR B 46 5.292 7.120 16.255 1.00 0.00 C > ATOM 1481 H THR B 46 7.692 9.536 13.976 1.00 0.00 H > ATOM 1482 HA THR B 46 5.114 9.710 15.393 1.00 0.00 H > ATOM 1483 HB THR B 46 7.160 7.455 15.258 1.00 0.00 H > ATOM 1484 HG1 THR B 46 5.370 8.373 13.473 1.00 0.00 H > ATOM 1485 1HG2 THR B 46 5.302 6.046 16.067 1.00 0.00 H > ATOM 1486 2HG2 THR B 46 5.700 7.319 17.245 1.00 0.00 H > ATOM 1487 3HG2 THR B 46 4.268 7.487 16.203 1.00 0.00 H > TER > HETATM 1489 ZN ZN B 47 5.702 6.101 -7.697 1.00 0.00 ZN

zinc_homodimer_design sub-test description