ATOM 1 N PRO A 1 -11.026 0.821 2.228 1.00 0.94 N ATOM 2 CA PRO A 1 -10.684 0.200 3.528 1.00 0.45 C ATOM 3 C PRO A 1 -9.275 0.583 3.961 1.00 0.37 C ATOM 4 O PRO A 1 -9.090 1.270 4.963 1.00 0.55 O ATOM 5 CB PRO A 1 -10.808 -1.308 3.398 1.00 1.13 C ATOM 6 CG PRO A 1 -11.654 -1.466 2.191 1.00 1.31 C ATOM 7 CD PRO A 1 -11.330 -0.289 1.299 1.00 1.20 C ATOM 8 H2 PRO A 1 -10.220 1.426 1.994 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.781 1.510 2.456 1.00 1.38 H ATOM 10 HA PRO A 1 -11.384 0.553 4.269 1.00 1.10 H ATOM 11 HB2 PRO A 1 -9.827 -1.747 3.267 1.00 1.56 H ATOM 12 HB3 PRO A 1 -11.287 -1.718 4.273 1.00 1.61 H ATOM 13 HG2 PRO A 1 -11.417 -2.394 1.692 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.694 -1.446 2.471 1.00 1.47 H ATOM 15 HD2 PRO A 1 -10.473 -0.511 0.681 1.00 1.99 H ATOM 16 HD3 PRO A 1 -12.182 -0.044 0.682 1.00 1.32 H ATOM 17 N PHE A 2 -8.284 0.155 3.193 1.00 0.25 N ATOM 18 CA PHE A 2 -6.893 0.434 3.521 1.00 0.26 C ATOM 19 C PHE A 2 -6.396 1.624 2.710 1.00 0.26 C ATOM 20 O PHE A 2 -6.657 1.702 1.516 1.00 0.37 O ATOM 21 CB PHE A 2 -6.016 -0.788 3.226 1.00 0.34 C ATOM 22 CG PHE A 2 -6.485 -2.046 3.900 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.239 -2.976 3.206 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.167 -2.299 5.225 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.669 -4.136 3.822 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.594 -3.456 5.846 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.359 -4.369 5.149 1.00 0.35 C ATOM 28 H PHE A 2 -8.489 -0.353 2.375 1.00 0.33 H ATOM 29 HA PHE A 2 -6.837 0.668 4.573 1.00 0.30 H ATOM 30 HB2 PHE A 2 -6.005 -0.965 2.161 1.00 0.39 H ATOM 31 HB3 PHE A 2 -5.010 -0.586 3.562 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.491 -2.790 2.174 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.583 -1.579 5.778 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.257 -4.853 3.271 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.339 -3.642 6.878 1.00 0.51 H ATOM 36 HZ PHE A 2 -7.696 -5.272 5.635 1.00 0.39 H HETATM 37 N 9KK A 3 -5.698 2.579 3.333 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.870 8.636 2.094 1.00 0.99 C HETATM 39 CD 9KK A 3 -6.285 7.400 2.856 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.509 6.201 2.349 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.897 4.927 3.078 1.00 0.45 C HETATM 42 CA 9KK A 3 -5.138 3.701 2.571 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.508 2.517 4.796 1.00 0.43 C HETATM 44 C 9KK A 3 -3.636 3.890 2.772 1.00 0.39 C HETATM 45 O 9KK A 3 -3.127 3.917 3.894 1.00 0.68 O HETATM 46 HE3 9KK A 3 -6.060 8.490 1.040 1.00 1.42 H HETATM 47 HE2 9KK A 3 -6.438 9.485 2.446 1.00 1.57 H HETATM 48 HE1 9KK A 3 -4.818 8.818 2.248 1.00 1.25 H HETATM 49 HD2 9KK A 3 -6.075 7.548 3.906 1.00 1.00 H HETATM 50 HD3 9KK A 3 -7.342 7.234 2.707 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.708 6.072 1.295 1.00 1.24 H HETATM 52 HG3 9KK A 3 -4.454 6.378 2.497 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.687 5.060 4.130 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.956 4.764 2.946 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.331 3.581 1.514 1.00 0.24 H HETATM 56 HM1 9KK A 3 -5.109 1.551 5.067 1.00 1.10 H HETATM 57 HM3 9KK A 3 -4.816 3.287 5.100 1.00 0.98 H HETATM 58 HM2 9KK A 3 -6.457 2.669 5.288 1.00 1.22 H ATOM 59 N CYS A 4 -2.928 4.028 1.670 1.00 0.22 N ATOM 60 CA CYS A 4 -1.512 4.310 1.717 1.00 0.30 C ATOM 61 C CYS A 4 -1.287 5.813 1.821 1.00 0.67 C ATOM 62 O CYS A 4 -1.244 6.512 0.809 1.00 1.71 O ATOM 63 CB CYS A 4 -0.813 3.762 0.476 1.00 0.29 C ATOM 64 SG CYS A 4 0.970 4.022 0.488 1.00 0.40 S ATOM 65 H CYS A 4 -3.374 3.942 0.798 1.00 0.25 H ATOM 66 HA CYS A 4 -1.105 3.830 2.594 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.994 2.699 0.405 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.212 4.251 -0.401 1.00 0.45 H ATOM 69 N THR A 5 -1.158 6.309 3.041 1.00 0.40 N ATOM 70 CA THR A 5 -0.960 7.731 3.269 1.00 0.47 C ATOM 71 C THR A 5 0.536 8.055 3.351 1.00 0.41 C ATOM 72 O THR A 5 0.985 8.814 4.213 1.00 0.54 O ATOM 73 CB THR A 5 -1.673 8.175 4.561 1.00 0.82 C ATOM 74 OG1 THR A 5 -2.936 7.502 4.663 1.00 1.39 O ATOM 75 CG2 THR A 5 -1.911 9.680 4.569 1.00 1.47 C ATOM 76 H THR A 5 -1.197 5.704 3.813 1.00 1.12 H ATOM 77 HA THR A 5 -1.392 8.268 2.435 1.00 0.62 H ATOM 78 HB THR A 5 -1.057 7.912 5.409 1.00 1.13 H ATOM 79 HG1 THR A 5 -3.468 7.705 3.888 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.541 9.949 3.735 1.00 1.77 H ATOM 81 HG22 THR A 5 -0.964 10.192 4.486 1.00 2.12 H ATOM 82 HG23 THR A 5 -2.393 9.962 5.491 1.00 1.94 H ATOM 83 N TRP A 6 1.299 7.456 2.445 1.00 0.37 N ATOM 84 CA TRP A 6 2.733 7.683 2.365 1.00 0.47 C ATOM 85 C TRP A 6 3.005 9.111 1.910 1.00 0.61 C ATOM 86 O TRP A 6 2.129 9.756 1.335 1.00 0.63 O ATOM 87 CB TRP A 6 3.360 6.674 1.392 1.00 0.47 C ATOM 88 CG TRP A 6 4.856 6.584 1.463 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.759 7.381 0.819 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.622 5.626 2.199 1.00 0.67 C ATOM 91 NE1 TRP A 6 7.039 6.990 1.128 1.00 0.85 N ATOM 92 CE2 TRP A 6 6.981 5.911 1.970 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.291 4.556 3.035 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.006 5.167 2.546 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.308 3.817 3.604 1.00 0.82 C ATOM 96 CH2 TRP A 6 7.650 4.126 3.359 1.00 0.94 C ATOM 97 H TRP A 6 0.884 6.840 1.809 1.00 0.38 H ATOM 98 HA TRP A 6 3.154 7.541 3.346 1.00 0.51 H ATOM 99 HB2 TRP A 6 2.964 5.695 1.598 1.00 0.43 H ATOM 100 HB3 TRP A 6 3.095 6.953 0.384 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.488 8.204 0.174 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.862 7.413 0.795 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.263 4.303 3.235 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.047 5.391 2.368 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.072 2.987 4.252 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.411 3.520 3.826 1.00 1.05 H HETATM 107 N AIB A 7 4.205 9.599 2.195 1.00 0.79 N HETATM 108 CA AIB A 7 4.639 10.935 1.778 1.00 0.99 C HETATM 109 C AIB A 7 4.419 11.108 0.264 1.00 0.94 C HETATM 110 O AIB A 7 5.067 10.439 -0.550 1.00 0.94 O HETATM 111 CB1 AIB A 7 6.112 11.100 2.093 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.887 11.995 2.562 1.00 1.13 C HETATM 113 H AIB A 7 4.823 9.041 2.713 1.00 0.83 H HETATM 114 HB11 AIB A 7 6.267 10.995 3.156 1.00 1.51 H HETATM 115 HB12 AIB A 7 6.438 12.080 1.776 1.00 1.83 H HETATM 116 HB13 AIB A 7 6.679 10.345 1.569 1.00 1.48 H HETATM 117 HB21 AIB A 7 2.825 11.882 2.397 1.00 1.35 H HETATM 118 HB22 AIB A 7 4.198 12.976 2.234 1.00 1.60 H HETATM 119 HB23 AIB A 7 4.101 11.884 3.615 1.00 1.63 H ATOM 120 N GLY A 8 3.492 11.986 -0.108 1.00 0.95 N ATOM 121 CA GLY A 8 3.240 12.258 -1.510 1.00 0.93 C ATOM 122 C GLY A 8 2.313 11.240 -2.143 1.00 0.76 C ATOM 123 O GLY A 8 2.087 11.258 -3.351 1.00 0.83 O ATOM 124 H GLY A 8 2.975 12.455 0.578 1.00 1.01 H ATOM 125 HA2 GLY A 8 2.796 13.239 -1.601 1.00 1.03 H ATOM 126 HA3 GLY A 8 4.182 12.248 -2.041 1.00 0.99 H ATOM 127 N CYS A 9 1.771 10.355 -1.325 1.00 0.61 N ATOM 128 CA CYS A 9 0.890 9.310 -1.806 1.00 0.55 C ATOM 129 C CYS A 9 -0.509 9.489 -1.214 1.00 0.92 C ATOM 130 O CYS A 9 -0.771 10.452 -0.489 1.00 1.94 O ATOM 131 CB CYS A 9 1.462 7.941 -1.430 1.00 0.42 C ATOM 132 SG CYS A 9 0.715 6.549 -2.312 1.00 0.36 S ATOM 133 H CYS A 9 1.968 10.406 -0.365 1.00 0.60 H ATOM 134 HA CYS A 9 0.831 9.389 -2.881 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.519 7.933 -1.640 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.311 7.781 -0.373 1.00 0.62 H ATOM 137 N GLY A 10 -1.394 8.557 -1.517 1.00 0.51 N ATOM 138 CA GLY A 10 -2.762 8.648 -1.059 1.00 0.65 C ATOM 139 C GLY A 10 -3.678 7.759 -1.870 1.00 0.58 C ATOM 140 O GLY A 10 -4.670 8.221 -2.435 1.00 0.90 O ATOM 141 H GLY A 10 -1.109 7.786 -2.052 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.806 8.351 -0.022 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.094 9.670 -1.147 1.00 0.82 H ATOM 144 N LYS A 11 -3.336 6.481 -1.933 1.00 0.37 N ATOM 145 CA LYS A 11 -4.102 5.519 -2.711 1.00 0.28 C ATOM 146 C LYS A 11 -4.878 4.587 -1.784 1.00 0.22 C ATOM 147 O LYS A 11 -4.374 4.208 -0.727 1.00 0.28 O ATOM 148 CB LYS A 11 -3.165 4.705 -3.614 1.00 0.36 C ATOM 149 CG LYS A 11 -2.438 5.536 -4.664 1.00 0.42 C ATOM 150 CD LYS A 11 -3.405 6.128 -5.679 1.00 0.67 C ATOM 151 CE LYS A 11 -2.693 7.001 -6.703 1.00 1.05 C ATOM 152 NZ LYS A 11 -1.703 6.237 -7.506 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.557 6.169 -1.428 1.00 0.51 H ATOM 154 HA LYS A 11 -4.800 6.067 -3.321 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.424 4.221 -2.995 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.744 3.947 -4.122 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.915 6.342 -4.170 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.727 4.906 -5.180 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.906 5.323 -6.196 1.00 0.84 H ATOM 160 HD3 LYS A 11 -4.135 6.727 -5.157 1.00 1.18 H ATOM 161 HE2 LYS A 11 -3.430 7.425 -7.369 1.00 1.67 H ATOM 162 HE3 LYS A 11 -2.182 7.798 -6.183 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -0.920 5.915 -6.904 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -1.319 6.839 -8.264 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -2.158 5.408 -7.939 1.00 1.93 H HETATM 166 N MMO A 12 -6.114 4.214 -2.152 1.00 0.18 N HETATM 167 CA MMO A 12 -6.914 3.314 -1.304 1.00 0.17 C HETATM 168 C MMO A 12 -7.102 1.928 -1.917 1.00 0.14 C HETATM 169 O MMO A 12 -7.327 1.780 -3.121 1.00 0.25 O HETATM 170 CB MMO A 12 -8.262 4.025 -1.126 1.00 0.28 C HETATM 171 CG MMO A 12 -8.166 5.330 -0.349 1.00 0.38 C HETATM 172 CD MMO A 12 -9.519 6.015 -0.236 1.00 0.55 C HETATM 173 NE MMO A 12 -9.419 7.324 0.410 1.00 1.09 N HETATM 174 CZ MMO A 12 -10.430 7.932 1.032 1.00 1.58 C HETATM 175 NH2 MMO A 12 -11.624 7.364 1.082 1.00 1.59 N HETATM 176 NH1 MMO A 12 -10.241 9.119 1.594 1.00 2.55 N HETATM 177 CN MMO A 12 -6.671 4.706 -3.433 1.00 0.27 C HETATM 178 HA MMO A 12 -6.448 3.195 -0.336 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.931 3.366 -0.592 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.679 4.237 -2.098 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.478 5.991 -0.855 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.799 5.119 0.644 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -10.178 5.387 0.344 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.929 6.144 -1.227 1.00 1.20 H HETATM 185 HH21 MMO A 12 -11.778 6.473 0.650 1.00 1.64 H HETATM 186 HH22 MMO A 12 -12.381 7.821 1.553 1.00 2.05 H HETATM 187 HH11 MMO A 12 -11.000 9.581 2.065 1.00 2.91 H HETATM 188 HC1 MMO A 12 -7.515 4.095 -3.715 1.00 1.00 H HETATM 189 HC2 MMO A 12 -5.913 4.646 -4.201 1.00 1.08 H HETATM 190 HC3 MMO A 12 -6.990 5.730 -3.321 1.00 1.02 H HETATM 191 HE MMO A 12 -8.547 7.776 0.374 1.00 1.66 H HETATM 192 HH12 MMO A 12 -9.343 9.561 1.550 1.00 3.06 H ATOM 193 N PHE A 13 -7.004 0.919 -1.067 1.00 0.13 N ATOM 194 CA PHE A 13 -7.070 -0.469 -1.485 1.00 0.12 C ATOM 195 C PHE A 13 -8.056 -1.229 -0.607 1.00 0.16 C ATOM 196 O PHE A 13 -8.290 -0.853 0.544 1.00 0.32 O ATOM 197 CB PHE A 13 -5.685 -1.111 -1.373 1.00 0.18 C ATOM 198 CG PHE A 13 -4.633 -0.402 -2.173 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.386 -0.761 -3.485 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.895 0.626 -1.611 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.420 -0.108 -4.224 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.930 1.283 -2.342 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.692 0.917 -3.652 1.00 0.36 C ATOM 204 H PHE A 13 -6.884 1.118 -0.115 1.00 0.24 H ATOM 205 HA PHE A 13 -7.401 -0.503 -2.511 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.374 -1.102 -0.339 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.738 -2.132 -1.720 1.00 0.19 H ATOM 208 HD1 PHE A 13 -4.958 -1.561 -3.932 1.00 0.28 H ATOM 209 HD2 PHE A 13 -4.084 0.914 -0.586 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.234 -0.397 -5.247 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.361 2.084 -1.892 1.00 0.41 H ATOM 212 HZ PHE A 13 -1.935 1.430 -4.228 1.00 0.41 H ATOM 213 N THR A 14 -8.637 -2.287 -1.146 1.00 0.20 N ATOM 214 CA THR A 14 -9.576 -3.099 -0.387 1.00 0.26 C ATOM 215 C THR A 14 -8.922 -4.400 0.076 1.00 0.18 C ATOM 216 O THR A 14 -9.585 -5.282 0.621 1.00 0.32 O ATOM 217 CB THR A 14 -10.857 -3.398 -1.205 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.798 -4.129 -0.408 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.539 -4.189 -2.467 1.00 0.93 C ATOM 220 H THR A 14 -8.441 -2.523 -2.082 1.00 0.30 H ATOM 221 HA THR A 14 -9.861 -2.533 0.488 1.00 0.34 H ATOM 222 HB THR A 14 -11.306 -2.457 -1.495 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.320 -4.772 0.139 1.00 1.99 H ATOM 224 HG21 THR A 14 -11.436 -4.301 -3.058 1.00 1.54 H ATOM 225 HG22 THR A 14 -10.167 -5.163 -2.193 1.00 1.62 H ATOM 226 HG23 THR A 14 -9.791 -3.666 -3.041 1.00 1.52 H ATOM 227 N ARG A 15 -7.615 -4.506 -0.131 1.00 0.16 N ATOM 228 CA ARG A 15 -6.864 -5.690 0.261 1.00 0.16 C ATOM 229 C ARG A 15 -5.534 -5.288 0.876 1.00 0.14 C ATOM 230 O ARG A 15 -4.723 -4.609 0.241 1.00 0.14 O ATOM 231 CB ARG A 15 -6.618 -6.590 -0.951 1.00 0.29 C ATOM 232 CG ARG A 15 -7.894 -7.118 -1.581 1.00 0.31 C ATOM 233 CD ARG A 15 -7.618 -7.828 -2.892 1.00 0.92 C ATOM 234 NE ARG A 15 -8.851 -8.149 -3.604 1.00 1.27 N ATOM 235 CZ ARG A 15 -9.040 -7.930 -4.902 1.00 1.98 C ATOM 236 NH1 ARG A 15 -8.078 -7.384 -5.640 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -10.197 -8.253 -5.463 1.00 2.55 N ATOM 238 H ARG A 15 -7.140 -3.766 -0.560 1.00 0.29 H ATOM 239 HA ARG A 15 -7.445 -6.229 0.993 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.082 -6.024 -1.697 1.00 0.36 H ATOM 241 HB3 ARG A 15 -6.014 -7.432 -0.647 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.359 -7.814 -0.897 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.560 -6.290 -1.762 1.00 0.65 H ATOM 244 HD2 ARG A 15 -7.011 -7.189 -3.512 1.00 1.45 H ATOM 245 HD3 ARG A 15 -7.084 -8.743 -2.686 1.00 1.50 H ATOM 246 HE ARG A 15 -9.580 -8.552 -3.080 1.00 1.47 H ATOM 247 HH11 ARG A 15 -7.203 -7.135 -5.224 1.00 2.52 H ATOM 248 HH12 ARG A 15 -8.228 -7.212 -6.615 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.930 -8.662 -4.909 1.00 2.68 H ATOM 250 HH22 ARG A 15 -10.347 -8.097 -6.441 1.00 3.07 H ATOM 251 N SER A 16 -5.321 -5.716 2.116 1.00 0.15 N ATOM 252 CA SER A 16 -4.106 -5.398 2.853 1.00 0.17 C ATOM 253 C SER A 16 -2.880 -5.953 2.142 1.00 0.15 C ATOM 254 O SER A 16 -1.821 -5.324 2.119 1.00 0.17 O ATOM 255 CB SER A 16 -4.206 -5.949 4.276 1.00 0.24 C ATOM 256 OG SER A 16 -4.718 -7.273 4.270 1.00 1.27 O ATOM 257 H SER A 16 -6.005 -6.271 2.551 1.00 0.17 H ATOM 258 HA SER A 16 -4.020 -4.322 2.896 1.00 0.18 H ATOM 259 HB2 SER A 16 -3.226 -5.956 4.729 1.00 1.04 H ATOM 260 HB3 SER A 16 -4.869 -5.323 4.857 1.00 1.05 H ATOM 261 HG SER A 16 -4.077 -7.865 4.686 1.00 1.61 H HETATM 262 OE1 B3D A 17 -2.612 -10.935 0.330 1.00 2.20 O HETATM 263 CD B3D A 17 -2.678 -10.145 1.295 1.00 1.42 C HETATM 264 OE2 B3D A 17 -3.609 -10.182 2.127 1.00 2.21 O HETATM 265 CG B3D A 17 -1.585 -9.097 1.458 1.00 0.28 C HETATM 266 CB B3D A 17 -1.944 -7.732 0.836 1.00 0.19 C HETATM 267 N B3D A 17 -3.023 -7.132 1.565 1.00 0.15 N HETATM 268 CA B3D A 17 -2.346 -7.972 -0.621 1.00 0.16 C HETATM 269 C B3D A 17 -1.906 -6.873 -1.552 1.00 0.15 C HETATM 270 O B3D A 17 -0.711 -6.678 -1.791 1.00 0.20 O HETATM 271 HG3 B3D A 17 -0.691 -9.469 0.989 1.00 1.07 H HETATM 272 HG2 B3D A 17 -1.400 -8.963 2.513 1.00 0.93 H HETATM 273 HB B3D A 17 -1.106 -7.008 0.883 1.00 0.20 H HETATM 274 H B3D A 17 -3.880 -7.605 1.642 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.904 -8.898 -0.957 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.421 -8.051 -0.679 1.00 0.15 H ATOM 277 N GLU A 18 -2.889 -6.132 -2.060 1.00 0.14 N ATOM 278 CA GLU A 18 -2.644 -5.014 -2.960 1.00 0.21 C ATOM 279 C GLU A 18 -1.897 -3.900 -2.248 1.00 0.15 C ATOM 280 O GLU A 18 -0.980 -3.309 -2.807 1.00 0.18 O ATOM 281 CB GLU A 18 -3.962 -4.459 -3.494 1.00 0.39 C ATOM 282 CG GLU A 18 -4.796 -5.464 -4.263 1.00 0.56 C ATOM 283 CD GLU A 18 -6.113 -4.874 -4.714 1.00 1.75 C ATOM 284 OE1 GLU A 18 -6.980 -4.626 -3.853 1.00 2.68 O ATOM 285 OE2 GLU A 18 -6.286 -4.653 -5.932 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.813 -6.349 -1.822 1.00 0.13 H ATOM 287 HA GLU A 18 -2.049 -5.369 -3.785 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.550 -4.106 -2.659 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.749 -3.627 -4.148 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.242 -5.786 -5.131 1.00 0.84 H ATOM 291 HG3 GLU A 18 -4.997 -6.312 -3.627 1.00 0.95 H ATOM 292 N LEU A 19 -2.303 -3.613 -1.017 1.00 0.15 N ATOM 293 CA LEU A 19 -1.695 -2.545 -0.237 1.00 0.17 C ATOM 294 C LEU A 19 -0.212 -2.827 -0.014 1.00 0.16 C ATOM 295 O LEU A 19 0.633 -1.979 -0.294 1.00 0.19 O ATOM 296 CB LEU A 19 -2.451 -2.380 1.096 1.00 0.22 C ATOM 297 CG LEU A 19 -2.005 -1.234 2.022 1.00 0.31 C ATOM 298 CD1 LEU A 19 -0.787 -1.628 2.844 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.716 0.032 1.225 1.00 0.86 C ATOM 300 H LEU A 19 -3.038 -4.134 -0.621 1.00 0.16 H ATOM 301 HA LEU A 19 -1.789 -1.633 -0.806 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.495 -2.230 0.865 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.360 -3.306 1.645 1.00 0.20 H ATOM 304 HG LEU A 19 -2.807 -1.014 2.710 1.00 0.82 H ATOM 305 HD11 LEU A 19 -0.489 -0.798 3.467 1.00 1.31 H ATOM 306 HD12 LEU A 19 0.024 -1.892 2.182 1.00 1.20 H ATOM 307 HD13 LEU A 19 -1.034 -2.475 3.466 1.00 1.31 H ATOM 308 HD21 LEU A 19 -2.601 0.323 0.681 1.00 1.38 H ATOM 309 HD22 LEU A 19 -0.911 -0.154 0.530 1.00 1.53 H ATOM 310 HD23 LEU A 19 -1.433 0.825 1.899 1.00 1.36 H ATOM 311 N GLN A 20 0.098 -4.020 0.475 1.00 0.16 N ATOM 312 CA GLN A 20 1.482 -4.391 0.757 1.00 0.21 C ATOM 313 C GLN A 20 2.296 -4.516 -0.532 1.00 0.16 C ATOM 314 O GLN A 20 3.320 -3.850 -0.700 1.00 0.16 O ATOM 315 CB GLN A 20 1.547 -5.705 1.536 1.00 0.30 C ATOM 316 CG GLN A 20 2.937 -6.012 2.074 1.00 0.37 C ATOM 317 CD GLN A 20 3.383 -5.016 3.129 1.00 1.09 C ATOM 318 OE1 GLN A 20 2.566 -4.489 3.884 1.00 1.82 O ATOM 319 NE2 GLN A 20 4.675 -4.732 3.181 1.00 1.83 N ATOM 320 H GLN A 20 -0.621 -4.661 0.668 1.00 0.16 H ATOM 321 HA GLN A 20 1.913 -3.607 1.361 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.863 -5.653 2.370 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.248 -6.511 0.886 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.928 -6.999 2.511 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.637 -5.987 1.253 1.00 1.00 H ATOM 326 HE21 GLN A 20 5.276 -5.175 2.541 1.00 2.08 H ATOM 327 HE22 GLN A 20 4.982 -4.088 3.858 1.00 2.45 H HETATM 328 N HMR A 21 1.842 -5.363 -1.449 1.00 0.18 N HETATM 329 CA HMR A 21 2.550 -5.551 -2.688 1.00 0.19 C HETATM 330 CB HMR A 21 2.685 -7.054 -2.963 1.00 0.29 C HETATM 331 CG HMR A 21 3.365 -7.823 -1.845 1.00 0.51 C HETATM 332 CD HMR A 21 3.438 -9.309 -2.157 1.00 0.94 C HETATM 333 NE HMR A 21 4.030 -10.069 -1.061 1.00 1.75 N HETATM 334 CZ HMR A 21 4.255 -11.380 -1.097 1.00 2.14 C HETATM 335 NH1 HMR A 21 3.941 -12.087 -2.178 1.00 1.94 N HETATM 336 NH2 HMR A 21 4.795 -11.981 -0.047 1.00 3.01 N HETATM 337 C HMR A 21 2.235 -3.566 -4.221 1.00 0.17 C HETATM 338 O HMR A 21 3.198 -3.362 -4.966 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.787 -4.957 -3.869 1.00 0.16 C HETATM 340 H HMR A 21 1.003 -5.857 -1.288 1.00 0.22 H HETATM 341 HA HMR A 21 3.528 -5.044 -2.570 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.257 -7.194 -3.868 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.700 -7.467 -3.103 1.00 0.29 H HETATM 344 HG2 HMR A 21 2.800 -7.683 -0.935 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.366 -7.440 -1.712 1.00 0.87 H HETATM 346 HD2 HMR A 21 4.036 -9.452 -3.047 1.00 1.35 H HETATM 347 HD3 HMR A 21 2.438 -9.675 -2.334 1.00 1.23 H HETATM 348 HE HMR A 21 4.273 -9.570 -0.246 1.00 2.22 H HETATM 349 HH1 HMR A 21 3.530 -11.638 -2.975 1.00 1.68 H HETATM 350 HH21 HMR A 21 4.969 -12.970 -0.063 1.00 3.31 H HETATM 351 HH22 HMR A 21 5.030 -11.449 0.771 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.930 -5.588 -4.731 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.735 -4.920 -3.625 1.00 0.14 H HETATM 354 HH2 HMR A 21 4.112 -13.076 -2.199 1.00 2.33 H ATOM 355 N HIS A 22 1.526 -2.602 -3.661 1.00 0.15 N ATOM 356 CA HIS A 22 1.775 -1.198 -3.908 1.00 0.15 C ATOM 357 C HIS A 22 2.890 -0.663 -3.010 1.00 0.13 C ATOM 358 O HIS A 22 3.776 0.045 -3.481 1.00 0.12 O ATOM 359 CB HIS A 22 0.476 -0.408 -3.697 1.00 0.20 C ATOM 360 CG HIS A 22 0.674 1.069 -3.564 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.553 1.981 -4.607 1.00 0.20 N ATOM 362 CD2 HIS A 22 1.032 1.787 -2.475 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.851 3.198 -4.118 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.140 3.099 -2.847 1.00 0.18 N ATOM 365 H HIS A 22 0.792 -2.851 -3.055 1.00 0.18 H ATOM 366 HA HIS A 22 2.081 -1.095 -4.936 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.179 -0.580 -4.536 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.004 -0.761 -2.795 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.297 1.772 -5.534 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.192 1.403 -1.478 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.848 4.115 -4.689 1.00 0.27 H ATOM 372 N LYS A 23 2.835 -0.988 -1.719 1.00 0.18 N ATOM 373 CA LYS A 23 3.806 -0.469 -0.754 1.00 0.19 C ATOM 374 C LYS A 23 5.225 -0.796 -1.205 1.00 0.17 C ATOM 375 O LYS A 23 6.120 0.057 -1.163 1.00 0.18 O ATOM 376 CB LYS A 23 3.545 -1.053 0.639 1.00 0.27 C ATOM 377 CG LYS A 23 4.262 -0.319 1.765 1.00 0.73 C ATOM 378 CD LYS A 23 3.606 1.021 2.082 1.00 0.61 C ATOM 379 CE LYS A 23 2.179 0.847 2.588 1.00 0.85 C ATOM 380 NZ LYS A 23 1.577 2.135 3.020 1.00 1.01 N1+ ATOM 381 H LYS A 23 2.122 -1.587 -1.404 1.00 0.22 H ATOM 382 HA LYS A 23 3.694 0.603 -0.715 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.485 -1.022 0.835 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.872 -2.083 0.647 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.245 -0.935 2.652 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.285 -0.143 1.468 1.00 1.25 H ATOM 387 HD2 LYS A 23 4.186 1.526 2.842 1.00 0.85 H ATOM 388 HD3 LYS A 23 3.589 1.622 1.186 1.00 0.88 H ATOM 389 HE2 LYS A 23 1.577 0.429 1.796 1.00 1.56 H ATOM 390 HE3 LYS A 23 2.191 0.167 3.427 1.00 1.39 H ATOM 391 HZ1 LYS A 23 1.526 2.799 2.220 1.00 1.57 H ATOM 392 HZ2 LYS A 23 2.153 2.564 3.774 1.00 1.30 H ATOM 393 HZ3 LYS A 23 0.618 1.978 3.387 1.00 1.62 H HETATM 394 N HMR A 24 5.425 -2.029 -1.646 1.00 0.18 N HETATM 395 CA HMR A 24 6.714 -2.444 -2.127 1.00 0.20 C HETATM 396 CB HMR A 24 6.945 -3.908 -1.717 1.00 0.30 C HETATM 397 CG HMR A 24 8.339 -4.430 -2.026 1.00 0.34 C HETATM 398 CD HMR A 24 8.492 -5.885 -1.609 1.00 0.50 C HETATM 399 NE HMR A 24 9.835 -6.393 -1.887 1.00 0.95 N HETATM 400 CZ HMR A 24 10.318 -7.539 -1.411 1.00 1.35 C HETATM 401 NH1 HMR A 24 11.553 -7.909 -1.722 1.00 1.85 N HETATM 402 NH2 HMR A 24 9.572 -8.310 -0.626 1.00 1.46 N HETATM 403 C HMR A 24 7.310 -1.081 -4.196 1.00 0.18 C HETATM 404 O HMR A 24 8.511 -0.932 -4.426 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.765 -2.382 -3.657 1.00 0.21 C HETATM 406 H HMR A 24 4.678 -2.674 -1.632 1.00 0.21 H HETATM 407 HA HMR A 24 7.452 -1.747 -1.684 1.00 0.21 H HETATM 408 HB2 HMR A 24 6.230 -4.528 -2.237 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.780 -3.998 -0.656 1.00 0.37 H HETATM 410 HG2 HMR A 24 9.062 -3.833 -1.490 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.519 -4.351 -3.086 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.771 -6.479 -2.150 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.300 -5.964 -0.549 1.00 0.77 H HETATM 414 HE HMR A 24 10.412 -5.844 -2.465 1.00 1.18 H HETATM 415 HH1 HMR A 24 12.119 -7.327 -2.315 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.639 -8.034 -0.389 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.939 -9.174 -0.268 1.00 1.83 H HETATM 418 HC1 HMR A 24 7.391 -3.180 -4.016 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.766 -2.516 -4.045 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.929 -8.769 -1.369 1.00 2.15 H ATOM 421 N THR A 25 6.408 -0.123 -4.382 1.00 0.16 N ATOM 422 CA THR A 25 6.735 1.164 -4.970 1.00 0.23 C ATOM 423 C THR A 25 7.606 2.010 -4.044 1.00 0.22 C ATOM 424 O THR A 25 8.624 2.559 -4.468 1.00 0.34 O ATOM 425 CB THR A 25 5.447 1.938 -5.307 1.00 0.34 C ATOM 426 OG1 THR A 25 4.625 1.152 -6.180 1.00 1.33 O ATOM 427 CG2 THR A 25 5.757 3.276 -5.961 1.00 1.09 C ATOM 428 H THR A 25 5.479 -0.290 -4.108 1.00 0.17 H ATOM 429 HA THR A 25 7.270 0.985 -5.888 1.00 0.30 H ATOM 430 HB THR A 25 4.907 2.121 -4.389 1.00 0.94 H ATOM 431 HG1 THR A 25 3.713 1.469 -6.130 1.00 1.98 H ATOM 432 HG21 THR A 25 4.833 3.797 -6.169 1.00 1.66 H ATOM 433 HG22 THR A 25 6.292 3.110 -6.885 1.00 1.47 H ATOM 434 HG23 THR A 25 6.364 3.870 -5.295 1.00 1.67 H ATOM 435 N HIS A 26 7.220 2.103 -2.779 1.00 0.20 N ATOM 436 CA HIS A 26 7.939 2.951 -1.840 1.00 0.25 C ATOM 437 C HIS A 26 9.111 2.192 -1.241 1.00 0.30 C ATOM 438 O HIS A 26 10.154 2.768 -0.942 1.00 0.38 O ATOM 439 CB HIS A 26 7.024 3.440 -0.719 1.00 0.25 C ATOM 440 CG HIS A 26 5.769 4.108 -1.186 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.719 5.329 -1.855 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.484 3.709 -1.037 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.421 5.621 -2.076 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.669 4.668 -1.594 1.00 0.25 N ATOM 445 H HIS A 26 6.450 1.575 -2.466 1.00 0.24 H ATOM 446 HA HIS A 26 8.318 3.804 -2.385 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.737 2.596 -0.110 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.566 4.148 -0.107 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.491 5.883 -2.113 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.147 2.800 -0.569 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.058 6.507 -2.572 1.00 0.37 H HETATM 452 CG B3T A 27 9.457 -0.750 0.708 1.00 0.60 C HETATM 453 OD1 B3T A 27 8.328 -1.534 0.320 1.00 0.76 O HETATM 454 CD2 B3T A 27 9.061 0.177 1.847 1.00 0.76 C HETATM 455 CB B3T A 27 9.974 0.052 -0.499 1.00 0.46 C HETATM 456 N B3T A 27 8.926 0.892 -1.056 1.00 0.36 N HETATM 457 CA B3T A 27 10.524 -0.892 -1.568 1.00 0.62 C HETATM 458 C B3T A 27 12.038 -0.968 -1.546 1.00 0.82 C HETATM 459 O B3T A 27 12.718 0.057 -1.455 1.00 1.03 O HETATM 460 HG B3T A 27 10.243 -1.405 1.052 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.573 -0.955 0.172 1.00 1.25 H HETATM 462 H1D2 B3T A 27 9.918 0.754 2.158 1.00 1.25 H HETATM 463 H2D2 B3T A 27 8.699 -0.408 2.679 1.00 1.43 H HETATM 464 H3D2 B3T A 27 8.281 0.845 1.511 1.00 1.15 H HETATM 465 HB B3T A 27 10.770 0.701 -0.161 1.00 0.52 H HETATM 466 HN B3T A 27 8.062 0.490 -1.293 1.00 0.39 H HETATM 467 HA B3T A 27 10.213 -0.544 -2.541 1.00 0.63 H HETATM 468 HAA B3T A 27 10.128 -1.882 -1.400 1.00 0.70 H ATOM 469 N GLY A 28 12.574 -2.181 -1.636 1.00 1.30 N ATOM 470 CA GLY A 28 14.009 -2.370 -1.569 1.00 1.53 C ATOM 471 C GLY A 28 14.532 -2.232 -0.155 1.00 1.68 C ATOM 472 O GLY A 28 14.969 -3.210 0.453 1.00 2.18 O ATOM 473 H GLY A 28 11.987 -2.956 -1.762 1.00 1.67 H ATOM 474 HA2 GLY A 28 14.252 -3.355 -1.937 1.00 1.86 H ATOM 475 HA3 GLY A 28 14.490 -1.634 -2.193 1.00 1.58 H ATOM 476 N GLU A 29 14.467 -1.019 0.373 1.00 1.96 N ATOM 477 CA GLU A 29 14.899 -0.743 1.732 1.00 2.41 C ATOM 478 C GLU A 29 13.827 -1.177 2.723 1.00 2.39 C ATOM 479 O GLU A 29 13.073 -0.354 3.245 1.00 3.19 O ATOM 480 CB GLU A 29 15.204 0.748 1.905 1.00 3.15 C ATOM 481 CG GLU A 29 16.280 1.260 0.963 1.00 3.91 C ATOM 482 CD GLU A 29 17.579 0.500 1.104 1.00 4.36 C ATOM 483 OE1 GLU A 29 18.346 0.792 2.043 1.00 4.89 O ATOM 484 OE2 GLU A 29 17.839 -0.399 0.278 1.00 4.51 O1- ATOM 485 H GLU A 29 14.104 -0.284 -0.171 1.00 2.25 H ATOM 486 HA GLU A 29 15.798 -1.311 1.916 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.301 1.312 1.728 1.00 3.38 H ATOM 488 HB3 GLU A 29 15.531 0.923 2.919 1.00 3.49 H ATOM 489 HG2 GLU A 29 15.931 1.161 -0.054 1.00 4.30 H ATOM 490 HG3 GLU A 29 16.464 2.302 1.181 1.00 4.26 H ATOM 491 N LYS A 30 13.753 -2.475 2.962 1.00 1.95 N ATOM 492 CA LYS A 30 12.763 -3.026 3.867 1.00 2.32 C ATOM 493 C LYS A 30 13.323 -4.265 4.552 1.00 2.89 C ATOM 494 O LYS A 30 13.629 -4.243 5.742 1.00 3.15 O ATOM 495 CB LYS A 30 11.477 -3.367 3.105 1.00 2.23 C ATOM 496 CG LYS A 30 10.307 -3.736 4.006 1.00 2.98 C ATOM 497 CD LYS A 30 9.927 -2.585 4.921 1.00 3.35 C ATOM 498 CE LYS A 30 8.729 -2.929 5.785 1.00 3.96 C ATOM 499 NZ LYS A 30 8.373 -1.816 6.701 1.00 4.54 N1+ ATOM 500 H LYS A 30 14.388 -3.081 2.520 1.00 1.83 H ATOM 501 HA LYS A 30 12.544 -2.280 4.617 1.00 2.86 H ATOM 502 HB2 LYS A 30 11.187 -2.513 2.513 1.00 2.41 H ATOM 503 HB3 LYS A 30 11.673 -4.200 2.446 1.00 2.30 H ATOM 504 HG2 LYS A 30 9.456 -3.988 3.391 1.00 3.30 H ATOM 505 HG3 LYS A 30 10.584 -4.589 4.610 1.00 3.48 H ATOM 506 HD2 LYS A 30 10.764 -2.356 5.564 1.00 3.50 H ATOM 507 HD3 LYS A 30 9.687 -1.721 4.317 1.00 3.54 H ATOM 508 HE2 LYS A 30 7.886 -3.139 5.142 1.00 4.07 H ATOM 509 HE3 LYS A 30 8.963 -3.806 6.371 1.00 4.35 H ATOM 510 HZ1 LYS A 30 7.555 -2.080 7.284 1.00 4.69 H ATOM 511 HZ2 LYS A 30 8.134 -0.965 6.153 1.00 4.86 H ATOM 512 HZ3 LYS A 30 9.176 -1.597 7.324 1.00 4.84 H HETATM 513 N NH2 A 31 13.464 -5.342 3.799 1.00 3.54 N HETATM 514 HN1 NH2 A 31 13.202 -5.287 2.856 1.00 3.61 H HETATM 515 HN2 NH2 A 31 13.828 -6.154 4.214 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.674 4.573 -1.626 1.00 0.26 ZN