ATOM 1 N PRO A 1 -11.089 0.860 2.289 1.00 0.94 N ATOM 2 CA PRO A 1 -10.700 0.334 3.615 1.00 0.45 C ATOM 3 C PRO A 1 -9.238 0.641 3.924 1.00 0.37 C ATOM 4 O PRO A 1 -8.936 1.359 4.874 1.00 0.55 O ATOM 5 CB PRO A 1 -10.938 -1.170 3.639 1.00 1.13 C ATOM 6 CG PRO A 1 -11.327 -1.488 2.239 1.00 1.31 C ATOM 7 CD PRO A 1 -11.878 -0.210 1.652 1.00 1.20 C ATOM 8 H2 PRO A 1 -10.207 1.135 1.824 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.548 1.778 2.495 1.00 1.38 H ATOM 10 HA PRO A 1 -11.322 0.804 4.362 1.00 1.10 H ATOM 11 HB2 PRO A 1 -10.029 -1.678 3.928 1.00 1.56 H ATOM 12 HB3 PRO A 1 -11.732 -1.408 4.332 1.00 1.61 H ATOM 13 HG2 PRO A 1 -10.463 -1.814 1.682 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.086 -2.255 2.238 1.00 1.47 H ATOM 15 HD2 PRO A 1 -11.741 -0.200 0.581 1.00 1.99 H ATOM 16 HD3 PRO A 1 -12.924 -0.107 1.896 1.00 1.32 H ATOM 17 N PHE A 2 -8.333 0.101 3.116 1.00 0.25 N ATOM 18 CA PHE A 2 -6.908 0.286 3.348 1.00 0.26 C ATOM 19 C PHE A 2 -6.410 1.511 2.589 1.00 0.26 C ATOM 20 O PHE A 2 -6.890 1.796 1.497 1.00 0.37 O ATOM 21 CB PHE A 2 -6.132 -0.962 2.915 1.00 0.34 C ATOM 22 CG PHE A 2 -6.566 -2.208 3.636 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.447 -3.100 3.045 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.098 -2.482 4.911 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.853 -4.240 3.711 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.499 -3.623 5.580 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.377 -4.502 4.979 1.00 0.35 C ATOM 28 H PHE A 2 -8.626 -0.420 2.333 1.00 0.33 H ATOM 29 HA PHE A 2 -6.760 0.444 4.405 1.00 0.30 H ATOM 30 HB2 PHE A 2 -6.276 -1.120 1.857 1.00 0.39 H ATOM 31 HB3 PHE A 2 -5.080 -0.813 3.112 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.818 -2.900 2.051 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.413 -1.794 5.381 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.540 -4.926 3.240 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.126 -3.828 6.573 1.00 0.51 H ATOM 36 HZ PHE A 2 -7.692 -5.394 5.501 1.00 0.39 H HETATM 37 N 9KK A 3 -5.465 2.273 3.158 1.00 0.29 N HETATM 38 CE 9KK A 3 -6.082 8.343 2.145 1.00 0.99 C HETATM 39 CD 9KK A 3 -6.393 7.047 2.863 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.476 5.943 2.365 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.804 4.604 3.006 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.948 3.460 2.466 1.00 0.31 C HETATM 43 CM 9KK A 3 -4.952 1.927 4.498 1.00 0.43 C HETATM 44 C 9KK A 3 -3.471 3.747 2.727 1.00 0.39 C HETATM 45 O 9KK A 3 -3.052 4.013 3.859 1.00 0.68 O HETATM 46 HE3 9KK A 3 -6.221 8.210 1.083 1.00 1.42 H HETATM 47 HE2 9KK A 3 -6.746 9.118 2.499 1.00 1.57 H HETATM 48 HE1 9KK A 3 -5.058 8.629 2.341 1.00 1.25 H HETATM 49 HD2 9KK A 3 -6.242 7.191 3.923 1.00 1.00 H HETATM 50 HD3 9KK A 3 -7.420 6.779 2.667 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.581 5.852 1.294 1.00 1.24 H HETATM 52 HG3 9KK A 3 -4.454 6.202 2.606 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.642 4.687 4.071 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.844 4.379 2.823 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.102 3.380 1.400 1.00 0.24 H HETATM 56 HM1 9KK A 3 -4.051 2.489 4.692 1.00 1.10 H HETATM 57 HM3 9KK A 3 -5.695 2.171 5.243 1.00 0.98 H HETATM 58 HM2 9KK A 3 -4.733 0.870 4.538 1.00 1.22 H ATOM 59 N CYS A 4 -2.690 3.719 1.662 1.00 0.22 N ATOM 60 CA CYS A 4 -1.290 4.074 1.741 1.00 0.30 C ATOM 61 C CYS A 4 -1.155 5.556 2.051 1.00 0.67 C ATOM 62 O CYS A 4 -1.367 6.401 1.183 1.00 1.71 O ATOM 63 CB CYS A 4 -0.567 3.758 0.431 1.00 0.29 C ATOM 64 SG CYS A 4 1.153 4.307 0.428 1.00 0.40 S ATOM 65 H CYS A 4 -3.078 3.476 0.794 1.00 0.25 H ATOM 66 HA CYS A 4 -0.844 3.504 2.540 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.577 2.690 0.266 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.075 4.250 -0.383 1.00 0.45 H ATOM 69 N THR A 5 -0.814 5.869 3.288 1.00 0.40 N ATOM 70 CA THR A 5 -0.681 7.249 3.708 1.00 0.47 C ATOM 71 C THR A 5 0.797 7.637 3.769 1.00 0.41 C ATOM 72 O THR A 5 1.234 8.360 4.664 1.00 0.54 O ATOM 73 CB THR A 5 -1.359 7.471 5.076 1.00 0.82 C ATOM 74 OG1 THR A 5 -2.559 6.683 5.143 1.00 1.39 O ATOM 75 CG2 THR A 5 -1.713 8.939 5.278 1.00 1.47 C ATOM 76 H THR A 5 -0.641 5.153 3.937 1.00 1.12 H ATOM 77 HA THR A 5 -1.178 7.869 2.975 1.00 0.62 H ATOM 78 HB THR A 5 -0.683 7.161 5.859 1.00 1.13 H ATOM 79 HG1 THR A 5 -2.632 6.149 4.343 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.392 9.256 4.500 1.00 1.77 H ATOM 81 HG22 THR A 5 -0.813 9.535 5.236 1.00 2.12 H ATOM 82 HG23 THR A 5 -2.184 9.065 6.242 1.00 1.94 H ATOM 83 N TRP A 6 1.566 7.128 2.810 1.00 0.37 N ATOM 84 CA TRP A 6 2.976 7.464 2.695 1.00 0.47 C ATOM 85 C TRP A 6 3.119 8.948 2.384 1.00 0.61 C ATOM 86 O TRP A 6 2.246 9.536 1.748 1.00 0.63 O ATOM 87 CB TRP A 6 3.626 6.619 1.592 1.00 0.47 C ATOM 88 CG TRP A 6 5.116 6.755 1.505 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.814 7.707 0.822 1.00 0.73 C ATOM 90 CD2 TRP A 6 6.093 5.899 2.108 1.00 0.67 C ATOM 91 NE1 TRP A 6 7.162 7.506 0.971 1.00 0.85 N ATOM 92 CE2 TRP A 6 7.360 6.399 1.754 1.00 0.82 C ATOM 93 CE3 TRP A 6 6.019 4.760 2.914 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.542 5.800 2.181 1.00 0.94 C ATOM 95 CZ3 TRP A 6 7.193 4.166 3.334 1.00 0.82 C ATOM 96 CH2 TRP A 6 8.439 4.686 2.967 1.00 0.94 C ATOM 97 H TRP A 6 1.171 6.516 2.159 1.00 0.38 H ATOM 98 HA TRP A 6 3.454 7.252 3.639 1.00 0.51 H ATOM 99 HB2 TRP A 6 3.400 5.579 1.765 1.00 0.43 H ATOM 100 HB3 TRP A 6 3.213 6.914 0.642 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.355 8.504 0.256 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.869 8.062 0.578 1.00 0.97 H ATOM 103 HE3 TRP A 6 5.069 4.344 3.206 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.511 6.189 1.908 1.00 1.06 H ATOM 105 HZ3 TRP A 6 7.157 3.285 3.955 1.00 0.88 H ATOM 106 HH2 TRP A 6 9.330 4.188 3.319 1.00 1.05 H HETATM 107 N AIB A 7 4.209 9.539 2.854 1.00 0.79 N HETATM 108 CA AIB A 7 4.497 10.960 2.635 1.00 0.99 C HETATM 109 C AIB A 7 4.479 11.268 1.127 1.00 0.94 C HETATM 110 O AIB A 7 5.346 10.805 0.386 1.00 0.94 O HETATM 111 CB1 AIB A 7 5.866 11.281 3.199 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.487 11.819 3.378 1.00 1.13 C HETATM 113 H AIB A 7 4.848 9.002 3.365 1.00 0.83 H HETATM 114 HB11 AIB A 7 6.610 10.676 2.701 1.00 1.51 H HETATM 115 HB12 AIB A 7 5.880 11.068 4.258 1.00 1.83 H HETATM 116 HB13 AIB A 7 6.087 12.325 3.039 1.00 1.48 H HETATM 117 HB21 AIB A 7 2.491 11.585 3.031 1.00 1.35 H HETATM 118 HB22 AIB A 7 3.697 12.864 3.198 1.00 1.60 H HETATM 119 HB23 AIB A 7 3.555 11.617 4.437 1.00 1.63 H ATOM 120 N GLY A 8 3.489 12.035 0.679 1.00 0.95 N ATOM 121 CA GLY A 8 3.405 12.398 -0.722 1.00 0.93 C ATOM 122 C GLY A 8 2.509 11.466 -1.514 1.00 0.76 C ATOM 123 O GLY A 8 2.301 11.658 -2.714 1.00 0.83 O ATOM 124 H GLY A 8 2.809 12.359 1.306 1.00 1.01 H ATOM 125 HA2 GLY A 8 3.017 13.403 -0.799 1.00 1.03 H ATOM 126 HA3 GLY A 8 4.398 12.372 -1.146 1.00 0.99 H ATOM 127 N CYS A 9 1.978 10.458 -0.845 1.00 0.61 N ATOM 128 CA CYS A 9 1.122 9.475 -1.481 1.00 0.55 C ATOM 129 C CYS A 9 -0.278 9.544 -0.874 1.00 0.92 C ATOM 130 O CYS A 9 -0.586 10.469 -0.123 1.00 1.94 O ATOM 131 CB CYS A 9 1.722 8.082 -1.292 1.00 0.42 C ATOM 132 SG CYS A 9 1.049 6.808 -2.385 1.00 0.36 S ATOM 133 H CYS A 9 2.168 10.370 0.114 1.00 0.60 H ATOM 134 HA CYS A 9 1.068 9.704 -2.534 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.785 8.130 -1.464 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.543 7.765 -0.275 1.00 0.62 H ATOM 137 N GLY A 10 -1.113 8.569 -1.202 1.00 0.51 N ATOM 138 CA GLY A 10 -2.478 8.553 -0.711 1.00 0.65 C ATOM 139 C GLY A 10 -3.377 7.686 -1.566 1.00 0.58 C ATOM 140 O GLY A 10 -4.340 8.169 -2.159 1.00 0.90 O ATOM 141 H GLY A 10 -0.796 7.845 -1.784 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.483 8.176 0.301 1.00 0.78 H ATOM 143 HA3 GLY A 10 -2.863 9.563 -0.710 1.00 0.82 H ATOM 144 N LYS A 11 -3.061 6.399 -1.633 1.00 0.37 N ATOM 145 CA LYS A 11 -3.793 5.469 -2.487 1.00 0.28 C ATOM 146 C LYS A 11 -4.646 4.527 -1.637 1.00 0.22 C ATOM 147 O LYS A 11 -4.231 4.129 -0.552 1.00 0.28 O ATOM 148 CB LYS A 11 -2.810 4.657 -3.339 1.00 0.36 C ATOM 149 CG LYS A 11 -1.893 5.503 -4.211 1.00 0.42 C ATOM 150 CD LYS A 11 -2.672 6.301 -5.243 1.00 0.67 C ATOM 151 CE LYS A 11 -1.748 7.073 -6.171 1.00 1.05 C ATOM 152 NZ LYS A 11 -2.507 7.856 -7.181 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.330 6.060 -1.079 1.00 0.51 H ATOM 154 HA LYS A 11 -4.437 6.044 -3.132 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.194 4.063 -2.680 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.372 3.994 -3.981 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.347 6.189 -3.581 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.199 4.851 -4.721 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.269 5.622 -5.831 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.316 7.000 -4.732 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.147 7.751 -5.582 1.00 1.67 H ATOM 162 HE3 LYS A 11 -1.104 6.374 -6.683 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -3.104 7.222 -7.748 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -1.852 8.356 -7.814 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -3.116 8.556 -6.707 1.00 1.93 H HETATM 166 N MMO A 12 -5.847 4.150 -2.108 1.00 0.18 N HETATM 167 CA MMO A 12 -6.723 3.261 -1.318 1.00 0.17 C HETATM 168 C MMO A 12 -6.910 1.877 -1.947 1.00 0.14 C HETATM 169 O MMO A 12 -6.937 1.724 -3.173 1.00 0.25 O HETATM 170 CB MMO A 12 -8.051 4.014 -1.227 1.00 0.28 C HETATM 171 CG MMO A 12 -7.978 5.266 -0.368 1.00 0.38 C HETATM 172 CD MMO A 12 -9.303 6.003 -0.341 1.00 0.55 C HETATM 173 NE MMO A 12 -9.250 7.194 0.505 1.00 1.09 N HETATM 174 CZ MMO A 12 -9.990 8.283 0.305 1.00 1.58 C HETATM 175 NH2 MMO A 12 -10.819 8.350 -0.732 1.00 1.59 N HETATM 176 NH1 MMO A 12 -9.897 9.311 1.142 1.00 2.55 N HETATM 177 CN MMO A 12 -6.290 4.625 -3.439 1.00 0.27 C HETATM 178 HA MMO A 12 -6.325 3.130 -0.322 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.791 3.358 -0.799 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.364 4.297 -2.220 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.216 5.922 -0.765 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.717 4.981 0.641 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -10.061 5.336 0.040 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.557 6.298 -1.347 1.00 1.20 H HETATM 185 HH21 MMO A 12 -10.891 7.579 -1.371 1.00 1.64 H HETATM 186 HH22 MMO A 12 -11.374 9.173 -0.882 1.00 2.05 H HETATM 187 HH11 MMO A 12 -10.454 10.136 0.995 1.00 2.91 H HETATM 188 HC1 MMO A 12 -7.072 3.980 -3.810 1.00 1.00 H HETATM 189 HC2 MMO A 12 -5.455 4.606 -4.123 1.00 1.08 H HETATM 190 HC3 MMO A 12 -6.665 5.634 -3.357 1.00 1.02 H HETATM 191 HE MMO A 12 -8.637 7.172 1.271 1.00 1.66 H HETATM 192 HH12 MMO A 12 -9.271 9.273 1.926 1.00 3.06 H ATOM 193 N PHE A 13 -7.037 0.868 -1.093 1.00 0.13 N ATOM 194 CA PHE A 13 -7.049 -0.523 -1.522 1.00 0.12 C ATOM 195 C PHE A 13 -8.057 -1.338 -0.721 1.00 0.16 C ATOM 196 O PHE A 13 -8.454 -0.958 0.388 1.00 0.32 O ATOM 197 CB PHE A 13 -5.653 -1.123 -1.350 1.00 0.18 C ATOM 198 CG PHE A 13 -4.597 -0.361 -2.087 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.405 -0.553 -3.442 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.811 0.564 -1.424 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.446 0.166 -4.124 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.850 1.282 -2.099 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.668 1.085 -3.452 1.00 0.36 C ATOM 204 H PHE A 13 -7.134 1.068 -0.135 1.00 0.24 H ATOM 205 HA PHE A 13 -7.321 -0.552 -2.565 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.393 -1.123 -0.303 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.655 -2.137 -1.718 1.00 0.19 H ATOM 208 HD1 PHE A 13 -5.015 -1.273 -3.967 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.957 0.720 -0.367 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.303 0.009 -5.181 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.243 2.000 -1.570 1.00 0.41 H ATOM 212 HZ PHE A 13 -1.917 1.650 -3.984 1.00 0.41 H ATOM 213 N THR A 14 -8.450 -2.469 -1.293 1.00 0.20 N ATOM 214 CA THR A 14 -9.454 -3.336 -0.700 1.00 0.26 C ATOM 215 C THR A 14 -8.801 -4.454 0.112 1.00 0.18 C ATOM 216 O THR A 14 -9.375 -4.946 1.086 1.00 0.32 O ATOM 217 CB THR A 14 -10.353 -3.947 -1.797 1.00 0.46 C ATOM 218 OG1 THR A 14 -10.883 -2.901 -2.627 1.00 1.31 O ATOM 219 CG2 THR A 14 -11.501 -4.745 -1.195 1.00 0.93 C ATOM 220 H THR A 14 -8.043 -2.736 -2.150 1.00 0.30 H ATOM 221 HA THR A 14 -10.070 -2.741 -0.045 1.00 0.34 H ATOM 222 HB THR A 14 -9.754 -4.610 -2.405 1.00 1.25 H ATOM 223 HG1 THR A 14 -10.389 -2.876 -3.458 1.00 1.99 H ATOM 224 HG21 THR A 14 -12.118 -5.144 -1.986 1.00 1.54 H ATOM 225 HG22 THR A 14 -12.096 -4.101 -0.564 1.00 1.62 H ATOM 226 HG23 THR A 14 -11.102 -5.556 -0.604 1.00 1.52 H ATOM 227 N ARG A 15 -7.601 -4.851 -0.286 1.00 0.16 N ATOM 228 CA ARG A 15 -6.881 -5.906 0.414 1.00 0.16 C ATOM 229 C ARG A 15 -5.563 -5.379 0.976 1.00 0.14 C ATOM 230 O ARG A 15 -4.844 -4.624 0.312 1.00 0.14 O ATOM 231 CB ARG A 15 -6.607 -7.072 -0.534 1.00 0.29 C ATOM 232 CG ARG A 15 -7.853 -7.659 -1.184 1.00 0.31 C ATOM 233 CD ARG A 15 -8.767 -8.343 -0.177 1.00 0.92 C ATOM 234 NE ARG A 15 -9.908 -8.978 -0.834 1.00 1.27 N ATOM 235 CZ ARG A 15 -10.666 -9.925 -0.281 1.00 1.98 C ATOM 236 NH1 ARG A 15 -10.432 -10.337 0.959 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -11.668 -10.456 -0.970 1.00 2.55 N ATOM 238 H ARG A 15 -7.191 -4.432 -1.077 1.00 0.29 H ATOM 239 HA ARG A 15 -7.499 -6.246 1.231 1.00 0.19 H ATOM 240 HB2 ARG A 15 -5.948 -6.731 -1.315 1.00 0.36 H ATOM 241 HB3 ARG A 15 -6.113 -7.857 0.019 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.403 -6.862 -1.663 1.00 0.57 H ATOM 243 HG3 ARG A 15 -7.549 -8.381 -1.928 1.00 0.65 H ATOM 244 HD2 ARG A 15 -8.203 -9.095 0.355 1.00 1.45 H ATOM 245 HD3 ARG A 15 -9.131 -7.607 0.523 1.00 1.50 H ATOM 246 HE ARG A 15 -10.114 -8.684 -1.751 1.00 1.47 H ATOM 247 HH11 ARG A 15 -9.681 -9.939 1.490 1.00 2.52 H ATOM 248 HH12 ARG A 15 -11.005 -11.054 1.370 1.00 3.13 H ATOM 249 HH21 ARG A 15 -11.856 -10.148 -1.908 1.00 2.68 H ATOM 250 HH22 ARG A 15 -12.245 -11.166 -0.558 1.00 3.07 H ATOM 251 N SER A 16 -5.253 -5.796 2.202 1.00 0.15 N ATOM 252 CA SER A 16 -4.041 -5.364 2.887 1.00 0.17 C ATOM 253 C SER A 16 -2.808 -5.912 2.181 1.00 0.15 C ATOM 254 O SER A 16 -1.743 -5.306 2.218 1.00 0.17 O ATOM 255 CB SER A 16 -4.059 -5.815 4.352 1.00 0.24 C ATOM 256 OG SER A 16 -2.996 -5.226 5.093 1.00 1.27 O ATOM 257 H SER A 16 -5.860 -6.419 2.658 1.00 0.17 H ATOM 258 HA SER A 16 -4.007 -4.285 2.850 1.00 0.18 H ATOM 259 HB2 SER A 16 -4.995 -5.525 4.804 1.00 1.04 H ATOM 260 HB3 SER A 16 -3.957 -6.888 4.395 1.00 1.05 H ATOM 261 HG SER A 16 -3.137 -4.272 5.152 1.00 1.61 H HETATM 262 OE1 B3D A 17 -0.732 -10.694 -0.096 1.00 2.20 O HETATM 263 CD B3D A 17 -0.420 -9.760 0.674 1.00 1.42 C HETATM 264 OE2 B3D A 17 0.767 -9.417 0.857 1.00 2.21 O HETATM 265 CG B3D A 17 -1.526 -9.029 1.425 1.00 0.28 C HETATM 266 CB B3D A 17 -1.877 -7.658 0.809 1.00 0.19 C HETATM 267 N B3D A 17 -2.959 -7.062 1.541 1.00 0.15 N HETATM 268 CA B3D A 17 -2.283 -7.898 -0.647 1.00 0.16 C HETATM 269 C B3D A 17 -1.946 -6.748 -1.553 1.00 0.15 C HETATM 270 O B3D A 17 -0.784 -6.534 -1.913 1.00 0.20 O HETATM 271 HG3 B3D A 17 -1.202 -8.882 2.444 1.00 1.07 H HETATM 272 HG2 B3D A 17 -2.408 -9.651 1.424 1.00 0.93 H HETATM 273 HB B3D A 17 -1.041 -6.934 0.859 1.00 0.20 H HETATM 274 H B3D A 17 -3.830 -7.516 1.566 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.775 -8.778 -1.011 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.350 -8.061 -0.693 1.00 0.15 H ATOM 277 N GLU A 18 -2.976 -5.985 -1.908 1.00 0.14 N ATOM 278 CA GLU A 18 -2.828 -4.826 -2.776 1.00 0.21 C ATOM 279 C GLU A 18 -2.036 -3.735 -2.076 1.00 0.15 C ATOM 280 O GLU A 18 -1.136 -3.139 -2.660 1.00 0.18 O ATOM 281 CB GLU A 18 -4.199 -4.275 -3.159 1.00 0.39 C ATOM 282 CG GLU A 18 -5.121 -5.283 -3.820 1.00 0.56 C ATOM 283 CD GLU A 18 -6.493 -4.701 -4.080 1.00 1.75 C ATOM 284 OE1 GLU A 18 -7.151 -4.266 -3.109 1.00 2.68 O ATOM 285 OE2 GLU A 18 -6.919 -4.663 -5.253 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.867 -6.210 -1.574 1.00 0.13 H ATOM 287 HA GLU A 18 -2.304 -5.134 -3.667 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.684 -3.917 -2.265 1.00 0.42 H ATOM 289 HB3 GLU A 18 -4.060 -3.446 -3.838 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.688 -5.590 -4.760 1.00 0.84 H ATOM 291 HG3 GLU A 18 -5.226 -6.140 -3.174 1.00 0.95 H ATOM 292 N LEU A 19 -2.387 -3.475 -0.820 1.00 0.15 N ATOM 293 CA LEU A 19 -1.720 -2.443 -0.038 1.00 0.17 C ATOM 294 C LEU A 19 -0.235 -2.762 0.103 1.00 0.16 C ATOM 295 O LEU A 19 0.613 -1.948 -0.255 1.00 0.19 O ATOM 296 CB LEU A 19 -2.405 -2.311 1.336 1.00 0.22 C ATOM 297 CG LEU A 19 -1.900 -1.194 2.270 1.00 0.31 C ATOM 298 CD1 LEU A 19 -0.605 -1.585 2.967 1.00 0.69 C ATOM 299 CD2 LEU A 19 -1.718 0.113 1.513 1.00 0.86 C ATOM 300 H LEU A 19 -3.119 -3.989 -0.409 1.00 0.16 H ATOM 301 HA LEU A 19 -1.825 -1.512 -0.573 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.457 -2.149 1.164 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.291 -3.253 1.853 1.00 0.20 H ATOM 304 HG LEU A 19 -2.643 -1.029 3.035 1.00 0.82 H ATOM 305 HD11 LEU A 19 -0.285 -0.777 3.607 1.00 1.31 H ATOM 306 HD12 LEU A 19 0.156 -1.783 2.226 1.00 1.20 H ATOM 307 HD13 LEU A 19 -0.770 -2.472 3.561 1.00 1.31 H ATOM 308 HD21 LEU A 19 -2.663 0.421 1.097 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.000 -0.023 0.716 1.00 1.53 H ATOM 310 HD23 LEU A 19 -1.360 0.873 2.191 1.00 1.36 H ATOM 311 N GLN A 20 0.066 -3.953 0.612 1.00 0.16 N ATOM 312 CA GLN A 20 1.447 -4.368 0.831 1.00 0.21 C ATOM 313 C GLN A 20 2.215 -4.408 -0.485 1.00 0.16 C ATOM 314 O GLN A 20 3.238 -3.741 -0.629 1.00 0.16 O ATOM 315 CB GLN A 20 1.506 -5.732 1.524 1.00 0.30 C ATOM 316 CG GLN A 20 2.898 -6.101 2.014 1.00 0.37 C ATOM 317 CD GLN A 20 3.461 -5.094 3.007 1.00 1.09 C ATOM 318 OE1 GLN A 20 4.671 -4.882 3.072 1.00 1.82 O ATOM 319 NE2 GLN A 20 2.592 -4.479 3.796 1.00 1.83 N ATOM 320 H GLN A 20 -0.662 -4.562 0.861 1.00 0.16 H ATOM 321 HA GLN A 20 1.908 -3.634 1.473 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.838 -5.721 2.371 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.179 -6.490 0.829 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.854 -7.068 2.494 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.562 -6.152 1.164 1.00 1.00 H ATOM 326 HE21 GLN A 20 1.640 -4.704 3.708 1.00 2.08 H ATOM 327 HE22 GLN A 20 2.936 -3.816 4.434 1.00 2.45 H HETATM 328 N HMR A 21 1.731 -5.180 -1.450 1.00 0.18 N HETATM 329 CA HMR A 21 2.399 -5.253 -2.725 1.00 0.19 C HETATM 330 CB HMR A 21 2.781 -6.699 -3.046 1.00 0.29 C HETATM 331 CG HMR A 21 3.648 -7.349 -1.985 1.00 0.51 C HETATM 332 CD HMR A 21 4.324 -8.599 -2.513 1.00 0.94 C HETATM 333 NE HMR A 21 5.274 -8.292 -3.581 1.00 1.75 N HETATM 334 CZ HMR A 21 6.387 -8.985 -3.809 1.00 2.14 C HETATM 335 NH1 HMR A 21 6.692 -10.026 -3.042 1.00 1.94 N HETATM 336 NH2 HMR A 21 7.193 -8.633 -4.804 1.00 3.01 N HETATM 337 C HMR A 21 1.896 -3.394 -4.336 1.00 0.17 C HETATM 338 O HMR A 21 2.685 -3.238 -5.269 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.502 -4.760 -3.854 1.00 0.16 C HETATM 340 H HMR A 21 0.907 -5.701 -1.297 1.00 0.22 H HETATM 341 HA HMR A 21 3.285 -4.599 -2.647 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.315 -6.722 -3.983 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.878 -7.280 -3.143 1.00 0.29 H HETATM 344 HG2 HMR A 21 3.028 -7.613 -1.141 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.405 -6.646 -1.672 1.00 0.87 H HETATM 346 HD2 HMR A 21 3.569 -9.267 -2.899 1.00 1.35 H HETATM 347 HD3 HMR A 21 4.849 -9.081 -1.703 1.00 1.23 H HETATM 348 HE HMR A 21 5.072 -7.518 -4.157 1.00 2.22 H HETATM 349 HH1 HMR A 21 6.084 -10.292 -2.288 1.00 1.68 H HETATM 350 HH21 HMR A 21 8.033 -9.152 -4.981 1.00 3.31 H HETATM 351 HH22 HMR A 21 6.964 -7.844 -5.385 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.570 -5.448 -4.681 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.479 -4.718 -3.504 1.00 0.14 H HETATM 354 HH2 HMR A 21 7.530 -10.550 -3.209 1.00 2.33 H ATOM 355 N HIS A 22 1.326 -2.397 -3.685 1.00 0.15 N ATOM 356 CA HIS A 22 1.632 -1.012 -3.962 1.00 0.15 C ATOM 357 C HIS A 22 2.792 -0.530 -3.087 1.00 0.13 C ATOM 358 O HIS A 22 3.773 0.015 -3.602 1.00 0.12 O ATOM 359 CB HIS A 22 0.379 -0.160 -3.732 1.00 0.20 C ATOM 360 CG HIS A 22 0.651 1.305 -3.613 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.569 2.215 -4.661 1.00 0.20 N ATOM 362 CD2 HIS A 22 1.055 2.010 -2.531 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.935 3.419 -4.183 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.228 3.314 -2.914 1.00 0.18 N ATOM 365 H HIS A 22 0.654 -2.605 -2.996 1.00 0.18 H ATOM 366 HA HIS A 22 1.923 -0.936 -4.996 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.299 -0.304 -4.557 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.101 -0.484 -2.818 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.300 2.015 -5.585 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.203 1.624 -1.534 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.969 4.333 -4.755 1.00 0.27 H ATOM 372 N LYS A 23 2.674 -0.744 -1.770 1.00 0.18 N ATOM 373 CA LYS A 23 3.679 -0.282 -0.812 1.00 0.19 C ATOM 374 C LYS A 23 5.060 -0.711 -1.271 1.00 0.17 C ATOM 375 O LYS A 23 6.007 0.081 -1.272 1.00 0.18 O ATOM 376 CB LYS A 23 3.389 -0.831 0.591 1.00 0.27 C ATOM 377 CG LYS A 23 4.334 -0.311 1.669 1.00 0.73 C ATOM 378 CD LYS A 23 4.102 1.167 1.964 1.00 0.61 C ATOM 379 CE LYS A 23 2.761 1.405 2.652 1.00 0.85 C ATOM 380 NZ LYS A 23 2.714 0.794 4.007 1.00 1.01 N1+ ATOM 381 H LYS A 23 1.891 -1.234 -1.434 1.00 0.22 H ATOM 382 HA LYS A 23 3.641 0.796 -0.787 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.381 -0.559 0.867 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.464 -1.908 0.565 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.181 -0.879 2.576 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.352 -0.443 1.330 1.00 1.25 H ATOM 387 HD2 LYS A 23 4.892 1.525 2.609 1.00 0.85 H ATOM 388 HD3 LYS A 23 4.120 1.714 1.036 1.00 0.88 H ATOM 389 HE2 LYS A 23 2.601 2.470 2.744 1.00 1.56 H ATOM 390 HE3 LYS A 23 1.976 0.978 2.045 1.00 1.39 H ATOM 391 HZ1 LYS A 23 2.816 -0.239 3.943 1.00 1.57 H ATOM 392 HZ2 LYS A 23 1.808 1.014 4.468 1.00 1.30 H ATOM 393 HZ3 LYS A 23 3.484 1.170 4.595 1.00 1.62 H HETATM 394 N HMR A 24 5.169 -1.965 -1.668 1.00 0.18 N HETATM 395 CA HMR A 24 6.407 -2.477 -2.173 1.00 0.20 C HETATM 396 CB HMR A 24 6.547 -3.952 -1.771 1.00 0.30 C HETATM 397 CG HMR A 24 7.882 -4.569 -2.141 1.00 0.34 C HETATM 398 CD HMR A 24 7.964 -6.020 -1.701 1.00 0.50 C HETATM 399 NE HMR A 24 9.274 -6.602 -1.991 1.00 0.95 N HETATM 400 CZ HMR A 24 9.654 -7.817 -1.600 1.00 1.35 C HETATM 401 NH1 HMR A 24 10.870 -8.260 -1.895 1.00 1.85 N HETATM 402 NH2 HMR A 24 8.823 -8.582 -0.905 1.00 1.46 N HETATM 403 C HMR A 24 7.223 -1.259 -4.243 1.00 0.18 C HETATM 404 O HMR A 24 8.428 -1.378 -4.470 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.411 -2.408 -3.701 1.00 0.21 C HETATM 406 H HMR A 24 4.386 -2.560 -1.608 1.00 0.21 H HETATM 407 HA HMR A 24 7.205 -1.841 -1.759 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.767 -4.517 -2.257 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.423 -4.032 -0.701 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.673 -4.011 -1.661 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.006 -4.524 -3.210 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.205 -6.584 -2.223 1.00 0.63 H HETATM 413 HD3 HMR A 24 7.784 -6.071 -0.637 1.00 0.77 H HETATM 414 HE HMR A 24 9.906 -6.049 -2.506 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.506 -7.682 -2.413 1.00 2.03 H HETATM 416 HH21 HMR A 24 7.904 -8.249 -0.672 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.105 -9.498 -0.608 1.00 1.83 H HETATM 418 HC1 HMR A 24 6.821 -3.325 -4.088 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.397 -2.299 -4.051 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.162 -9.174 -1.602 1.00 2.15 H ATOM 421 N THR A 25 6.558 -0.125 -4.435 1.00 0.16 N ATOM 422 CA THR A 25 7.188 1.028 -5.056 1.00 0.23 C ATOM 423 C THR A 25 7.947 1.884 -4.033 1.00 0.22 C ATOM 424 O THR A 25 9.015 2.419 -4.341 1.00 0.34 O ATOM 425 CB THR A 25 6.160 1.894 -5.834 1.00 0.34 C ATOM 426 OG1 THR A 25 6.835 2.917 -6.573 1.00 1.33 O ATOM 427 CG2 THR A 25 5.134 2.537 -4.908 1.00 1.09 C ATOM 428 H THR A 25 5.616 -0.068 -4.154 1.00 0.17 H ATOM 429 HA THR A 25 7.903 0.650 -5.770 1.00 0.30 H ATOM 430 HB THR A 25 5.639 1.253 -6.528 1.00 0.94 H ATOM 431 HG1 THR A 25 7.668 2.565 -6.917 1.00 1.98 H ATOM 432 HG21 THR A 25 4.570 1.768 -4.402 1.00 1.66 H ATOM 433 HG22 THR A 25 4.462 3.152 -5.489 1.00 1.47 H ATOM 434 HG23 THR A 25 5.643 3.150 -4.179 1.00 1.67 H ATOM 435 N HIS A 26 7.428 1.991 -2.811 1.00 0.20 N ATOM 436 CA HIS A 26 8.085 2.802 -1.791 1.00 0.25 C ATOM 437 C HIS A 26 9.127 1.971 -1.066 1.00 0.30 C ATOM 438 O HIS A 26 10.255 2.408 -0.846 1.00 0.38 O ATOM 439 CB HIS A 26 7.104 3.329 -0.739 1.00 0.25 C ATOM 440 CG HIS A 26 5.906 4.053 -1.258 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.938 5.278 -1.921 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.601 3.732 -1.127 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.662 5.652 -2.148 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.850 4.740 -1.680 1.00 0.25 N ATOM 445 H HIS A 26 6.603 1.502 -2.588 1.00 0.24 H ATOM 446 HA HIS A 26 8.569 3.633 -2.278 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.742 2.494 -0.158 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.634 4.004 -0.081 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.746 5.780 -2.175 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.205 2.839 -0.674 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.357 6.566 -2.633 1.00 0.37 H HETATM 452 CG B3T A 27 8.829 -0.862 1.143 1.00 0.60 C HETATM 453 OD1 B3T A 27 7.837 -1.719 0.571 1.00 0.76 O HETATM 454 CD2 B3T A 27 8.157 0.143 2.069 1.00 0.76 C HETATM 455 CB B3T A 27 9.602 -0.139 0.029 1.00 0.46 C HETATM 456 N B3T A 27 8.730 0.766 -0.697 1.00 0.36 N HETATM 457 CA B3T A 27 10.241 -1.146 -0.925 1.00 0.62 C HETATM 458 C B3T A 27 11.689 -1.424 -0.576 1.00 0.82 C HETATM 459 O B3T A 27 11.981 -2.062 0.439 1.00 1.03 O HETATM 460 HG B3T A 27 9.522 -1.455 1.719 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.247 -1.203 0.011 1.00 1.25 H HETATM 462 H1D2 B3T A 27 8.908 0.754 2.545 1.00 1.25 H HETATM 463 H2D2 B3T A 27 7.590 -0.384 2.822 1.00 1.43 H HETATM 464 H3D2 B3T A 27 7.494 0.772 1.495 1.00 1.15 H HETATM 465 HB B3T A 27 10.378 0.446 0.495 1.00 0.52 H HETATM 466 HN B3T A 27 7.822 0.475 -0.923 1.00 0.39 H HETATM 467 HA B3T A 27 10.198 -0.756 -1.930 1.00 0.63 H HETATM 468 HAA B3T A 27 9.693 -2.074 -0.880 1.00 0.70 H ATOM 469 N GLY A 28 12.601 -0.942 -1.412 1.00 1.30 N ATOM 470 CA GLY A 28 14.015 -1.122 -1.148 1.00 1.53 C ATOM 471 C GLY A 28 14.472 -0.316 0.049 1.00 1.68 C ATOM 472 O GLY A 28 15.408 -0.696 0.752 1.00 2.18 O ATOM 473 H GLY A 28 12.311 -0.462 -2.217 1.00 1.67 H ATOM 474 HA2 GLY A 28 14.205 -2.167 -0.962 1.00 1.86 H ATOM 475 HA3 GLY A 28 14.576 -0.812 -2.015 1.00 1.58 H ATOM 476 N GLU A 29 13.796 0.795 0.289 1.00 1.96 N ATOM 477 CA GLU A 29 14.122 1.659 1.408 1.00 2.41 C ATOM 478 C GLU A 29 13.055 1.539 2.493 1.00 2.39 C ATOM 479 O GLU A 29 12.139 2.360 2.576 1.00 3.19 O ATOM 480 CB GLU A 29 14.250 3.112 0.937 1.00 3.15 C ATOM 481 CG GLU A 29 14.779 4.056 2.000 1.00 3.91 C ATOM 482 CD GLU A 29 16.085 3.582 2.595 1.00 4.36 C ATOM 483 OE1 GLU A 29 16.080 3.092 3.744 1.00 4.89 O ATOM 484 OE2 GLU A 29 17.126 3.696 1.917 1.00 4.51 O1- ATOM 485 H GLU A 29 13.049 1.034 -0.298 1.00 2.25 H ATOM 486 HA GLU A 29 15.070 1.335 1.813 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.920 3.147 0.091 1.00 3.38 H ATOM 488 HB3 GLU A 29 13.277 3.464 0.627 1.00 3.49 H ATOM 489 HG2 GLU A 29 14.935 5.028 1.555 1.00 4.30 H ATOM 490 HG3 GLU A 29 14.045 4.135 2.788 1.00 4.26 H ATOM 491 N LYS A 30 13.165 0.502 3.308 1.00 1.95 N ATOM 492 CA LYS A 30 12.217 0.283 4.387 1.00 2.32 C ATOM 493 C LYS A 30 12.955 -0.089 5.668 1.00 2.89 C ATOM 494 O LYS A 30 13.038 -1.258 6.049 1.00 3.15 O ATOM 495 CB LYS A 30 11.214 -0.813 4.011 1.00 2.23 C ATOM 496 CG LYS A 30 10.113 -1.000 5.041 1.00 2.98 C ATOM 497 CD LYS A 30 9.176 -2.136 4.668 1.00 3.35 C ATOM 498 CE LYS A 30 8.094 -2.322 5.718 1.00 3.96 C ATOM 499 NZ LYS A 30 8.663 -2.692 7.040 1.00 4.54 N1+ ATOM 500 H LYS A 30 13.908 -0.130 3.187 1.00 1.83 H ATOM 501 HA LYS A 30 11.683 1.207 4.551 1.00 2.86 H ATOM 502 HB2 LYS A 30 10.755 -0.557 3.068 1.00 2.41 H ATOM 503 HB3 LYS A 30 11.740 -1.750 3.904 1.00 2.30 H ATOM 504 HG2 LYS A 30 10.565 -1.219 5.996 1.00 3.30 H ATOM 505 HG3 LYS A 30 9.543 -0.084 5.112 1.00 3.48 H ATOM 506 HD2 LYS A 30 8.709 -1.910 3.720 1.00 3.50 H ATOM 507 HD3 LYS A 30 9.746 -3.051 4.585 1.00 3.54 H ATOM 508 HE2 LYS A 30 7.545 -1.398 5.820 1.00 4.07 H ATOM 509 HE3 LYS A 30 7.423 -3.105 5.393 1.00 4.35 H ATOM 510 HZ1 LYS A 30 9.365 -1.987 7.337 1.00 4.69 H ATOM 511 HZ2 LYS A 30 9.124 -3.622 6.986 1.00 4.86 H ATOM 512 HZ3 LYS A 30 7.909 -2.734 7.755 1.00 4.84 H HETATM 513 N NH2 A 31 13.497 0.911 6.332 1.00 3.54 N HETATM 514 HN1 NH2 A 31 13.390 1.818 5.972 1.00 3.61 H HETATM 515 HN2 NH2 A 31 13.986 0.709 7.155 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.857 4.764 -1.710 1.00 0.26 ZN