ATOM 1 N PRO A 1 -11.408 -0.594 3.997 1.00 0.94 N ATOM 2 CA PRO A 1 -10.276 -0.532 3.053 1.00 0.45 C ATOM 3 C PRO A 1 -9.002 -0.121 3.778 1.00 0.37 C ATOM 4 O PRO A 1 -9.020 0.135 4.982 1.00 0.55 O ATOM 5 CB PRO A 1 -10.604 0.471 1.956 1.00 1.13 C ATOM 6 CG PRO A 1 -11.918 1.038 2.368 1.00 1.31 C ATOM 7 CD PRO A 1 -12.548 0.022 3.296 1.00 1.20 C ATOM 8 H2 PRO A 1 -11.075 -0.129 4.858 1.00 1.42 H ATOM 9 H3 PRO A 1 -11.464 -1.602 4.275 1.00 1.38 H ATOM 10 HA PRO A 1 -10.137 -1.512 2.618 1.00 1.10 H ATOM 11 HB2 PRO A 1 -9.837 1.232 1.917 1.00 1.56 H ATOM 12 HB3 PRO A 1 -10.672 -0.035 1.004 1.00 1.61 H ATOM 13 HG2 PRO A 1 -11.764 1.972 2.887 1.00 2.09 H ATOM 14 HG3 PRO A 1 -12.541 1.191 1.500 1.00 1.47 H ATOM 15 HD2 PRO A 1 -13.208 0.510 3.997 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.089 -0.719 2.725 1.00 1.32 H ATOM 17 N PHE A 2 -7.903 -0.068 3.043 1.00 0.25 N ATOM 18 CA PHE A 2 -6.612 0.303 3.599 1.00 0.26 C ATOM 19 C PHE A 2 -6.011 1.433 2.772 1.00 0.26 C ATOM 20 O PHE A 2 -6.071 1.395 1.545 1.00 0.37 O ATOM 21 CB PHE A 2 -5.663 -0.900 3.596 1.00 0.34 C ATOM 22 CG PHE A 2 -6.231 -2.121 4.258 1.00 0.32 C ATOM 23 CD1 PHE A 2 -6.861 -3.104 3.508 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.135 -2.287 5.627 1.00 0.39 C ATOM 25 CE1 PHE A 2 -7.381 -4.228 4.115 1.00 0.32 C ATOM 26 CE2 PHE A 2 -6.655 -3.410 6.240 1.00 0.41 C ATOM 27 CZ PHE A 2 -7.279 -4.382 5.483 1.00 0.35 C ATOM 28 H PHE A 2 -7.959 -0.283 2.084 1.00 0.33 H ATOM 29 HA PHE A 2 -6.764 0.640 4.613 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.422 -1.156 2.576 1.00 0.39 H ATOM 31 HB3 PHE A 2 -4.757 -0.631 4.119 1.00 0.41 H ATOM 32 HD1 PHE A 2 -6.942 -2.986 2.438 1.00 0.36 H ATOM 33 HD2 PHE A 2 -5.647 -1.526 6.219 1.00 0.46 H ATOM 34 HE1 PHE A 2 -7.868 -4.986 3.520 1.00 0.36 H ATOM 35 HE2 PHE A 2 -6.574 -3.528 7.310 1.00 0.51 H ATOM 36 HZ PHE A 2 -7.685 -5.262 5.961 1.00 0.39 H HETATM 37 N 9KK A 3 -5.431 2.455 3.409 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.580 8.560 2.376 1.00 0.99 C HETATM 39 CD 9KK A 3 -5.942 7.297 3.127 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.194 6.110 2.547 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.571 4.815 3.247 1.00 0.45 C HETATM 42 CA 9KK A 3 -4.878 3.586 2.654 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.342 2.445 4.884 1.00 0.43 C HETATM 44 C 9KK A 3 -3.368 3.718 2.787 1.00 0.39 C HETATM 45 O 9KK A 3 -2.804 3.605 3.879 1.00 0.68 O HETATM 46 HE3 9KK A 3 -6.115 9.396 2.801 1.00 1.42 H HETATM 47 HE2 9KK A 3 -4.518 8.736 2.456 1.00 1.57 H HETATM 48 HE1 9KK A 3 -5.850 8.451 1.336 1.00 1.25 H HETATM 49 HD2 9KK A 3 -5.671 7.419 4.165 1.00 1.00 H HETATM 50 HD3 9KK A 3 -7.006 7.130 3.037 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.430 6.022 1.496 1.00 1.24 H HETATM 52 HG3 9KK A 3 -4.134 6.274 2.666 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.295 4.901 4.287 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.640 4.685 3.176 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.130 3.509 1.606 1.00 0.24 H HETATM 56 HM1 9KK A 3 -6.298 2.717 5.303 1.00 1.10 H HETATM 57 HM3 9KK A 3 -5.066 1.458 5.224 1.00 0.98 H HETATM 58 HM2 9KK A 3 -4.593 3.157 5.200 1.00 1.22 H ATOM 59 N CYS A 4 -2.712 3.959 1.668 1.00 0.22 N ATOM 60 CA CYS A 4 -1.291 4.221 1.677 1.00 0.30 C ATOM 61 C CYS A 4 -1.035 5.676 2.045 1.00 0.67 C ATOM 62 O CYS A 4 -1.017 6.553 1.181 1.00 1.71 O ATOM 63 CB CYS A 4 -0.660 3.910 0.323 1.00 0.29 C ATOM 64 SG CYS A 4 1.127 4.171 0.310 1.00 0.40 S ATOM 65 H CYS A 4 -3.199 3.958 0.815 1.00 0.25 H ATOM 66 HA CYS A 4 -0.843 3.587 2.428 1.00 0.57 H ATOM 67 HB2 CYS A 4 -0.849 2.877 0.068 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.095 4.550 -0.430 1.00 0.45 H ATOM 69 N THR A 5 -0.844 5.924 3.328 1.00 0.40 N ATOM 70 CA THR A 5 -0.589 7.266 3.822 1.00 0.47 C ATOM 71 C THR A 5 0.907 7.584 3.800 1.00 0.41 C ATOM 72 O THR A 5 1.480 8.032 4.794 1.00 0.54 O ATOM 73 CB THR A 5 -1.144 7.429 5.251 1.00 0.82 C ATOM 74 OG1 THR A 5 -0.780 6.296 6.050 1.00 1.39 O ATOM 75 CG2 THR A 5 -2.657 7.573 5.230 1.00 1.47 C ATOM 76 H THR A 5 -0.879 5.183 3.970 1.00 1.12 H ATOM 77 HA THR A 5 -1.104 7.961 3.173 1.00 0.62 H ATOM 78 HB THR A 5 -0.718 8.321 5.688 1.00 1.13 H ATOM 79 HG1 THR A 5 -1.009 6.469 6.970 1.00 1.89 H ATOM 80 HG21 THR A 5 -3.096 6.695 4.779 1.00 1.77 H ATOM 81 HG22 THR A 5 -2.929 8.447 4.656 1.00 2.12 H ATOM 82 HG23 THR A 5 -3.022 7.678 6.241 1.00 1.94 H ATOM 83 N TRP A 6 1.533 7.336 2.659 1.00 0.37 N ATOM 84 CA TRP A 6 2.949 7.609 2.488 1.00 0.47 C ATOM 85 C TRP A 6 3.139 9.073 2.113 1.00 0.61 C ATOM 86 O TRP A 6 2.226 9.693 1.568 1.00 0.63 O ATOM 87 CB TRP A 6 3.521 6.698 1.397 1.00 0.47 C ATOM 88 CG TRP A 6 5.015 6.642 1.369 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.855 7.491 0.710 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.847 5.676 2.016 1.00 0.67 C ATOM 91 NE1 TRP A 6 7.159 7.119 0.919 1.00 0.85 N ATOM 92 CE2 TRP A 6 7.181 6.005 1.716 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.593 4.565 2.824 1.00 0.68 C ATOM 94 CZ2 TRP A 6 8.256 5.263 2.196 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.661 3.830 3.298 1.00 0.82 C ATOM 96 CH2 TRP A 6 7.977 4.182 2.983 1.00 0.94 C ATOM 97 H TRP A 6 1.025 6.972 1.908 1.00 0.38 H ATOM 98 HA TRP A 6 3.451 7.412 3.422 1.00 0.51 H ATOM 99 HB2 TRP A 6 3.156 5.696 1.548 1.00 0.43 H ATOM 100 HB3 TRP A 6 3.187 7.054 0.436 1.00 0.47 H ATOM 101 HD1 TRP A 6 5.525 8.333 0.118 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.948 7.575 0.553 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.584 4.280 3.076 1.00 0.61 H ATOM 104 HZ2 TRP A 6 9.279 5.521 1.963 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.485 2.968 3.923 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.779 3.577 3.376 1.00 1.05 H HETATM 107 N AIB A 7 4.310 9.615 2.428 1.00 0.79 N HETATM 108 CA AIB A 7 4.664 10.996 2.084 1.00 0.99 C HETATM 109 C AIB A 7 4.431 11.239 0.581 1.00 0.94 C HETATM 110 O AIB A 7 5.200 10.767 -0.260 1.00 0.94 O HETATM 111 CB1 AIB A 7 6.126 11.234 2.408 1.00 1.21 C HETATM 112 CB2 AIB A 7 3.851 11.967 2.925 1.00 1.13 C HETATM 113 H AIB A 7 4.963 9.070 2.919 1.00 0.83 H HETATM 114 HB11 AIB A 7 6.390 12.251 2.155 1.00 1.51 H HETATM 115 HB12 AIB A 7 6.737 10.551 1.836 1.00 1.83 H HETATM 116 HB13 AIB A 7 6.295 11.072 3.462 1.00 1.48 H HETATM 117 HB21 AIB A 7 2.799 11.765 2.788 1.00 1.35 H HETATM 118 HB22 AIB A 7 4.066 12.980 2.618 1.00 1.60 H HETATM 119 HB23 AIB A 7 4.108 11.843 3.966 1.00 1.63 H ATOM 120 N GLY A 8 3.366 11.959 0.249 1.00 0.95 N ATOM 121 CA GLY A 8 3.097 12.295 -1.136 1.00 0.93 C ATOM 122 C GLY A 8 2.284 11.231 -1.847 1.00 0.76 C ATOM 123 O GLY A 8 2.246 11.188 -3.078 1.00 0.83 O ATOM 124 H GLY A 8 2.747 12.255 0.949 1.00 1.01 H ATOM 125 HA2 GLY A 8 2.556 13.230 -1.168 1.00 1.03 H ATOM 126 HA3 GLY A 8 4.039 12.415 -1.651 1.00 0.99 H ATOM 127 N CYS A 9 1.645 10.367 -1.077 1.00 0.61 N ATOM 128 CA CYS A 9 0.833 9.302 -1.634 1.00 0.55 C ATOM 129 C CYS A 9 -0.527 9.269 -0.938 1.00 0.92 C ATOM 130 O CYS A 9 -0.682 9.811 0.161 1.00 1.94 O ATOM 131 CB CYS A 9 1.559 7.967 -1.463 1.00 0.42 C ATOM 132 SG CYS A 9 0.959 6.640 -2.532 1.00 0.36 S ATOM 133 H CYS A 9 1.724 10.442 -0.100 1.00 0.60 H ATOM 134 HA CYS A 9 0.691 9.502 -2.686 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.608 8.107 -1.673 1.00 0.40 H ATOM 136 HB3 CYS A 9 1.444 7.640 -0.441 1.00 0.62 H ATOM 137 N GLY A 10 -1.513 8.654 -1.575 1.00 0.51 N ATOM 138 CA GLY A 10 -2.838 8.581 -0.994 1.00 0.65 C ATOM 139 C GLY A 10 -3.768 7.687 -1.786 1.00 0.58 C ATOM 140 O GLY A 10 -4.818 8.125 -2.255 1.00 0.90 O ATOM 141 H GLY A 10 -1.344 8.247 -2.453 1.00 1.03 H ATOM 142 HA2 GLY A 10 -2.756 8.199 0.013 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.257 9.573 -0.958 1.00 0.82 H ATOM 144 N LYS A 11 -3.376 6.433 -1.946 1.00 0.37 N ATOM 145 CA LYS A 11 -4.181 5.470 -2.681 1.00 0.28 C ATOM 146 C LYS A 11 -4.817 4.474 -1.718 1.00 0.22 C ATOM 147 O LYS A 11 -4.182 4.064 -0.744 1.00 0.28 O ATOM 148 CB LYS A 11 -3.315 4.728 -3.704 1.00 0.36 C ATOM 149 CG LYS A 11 -2.692 5.636 -4.753 1.00 0.42 C ATOM 150 CD LYS A 11 -1.781 4.860 -5.690 1.00 0.67 C ATOM 151 CE LYS A 11 -2.547 3.830 -6.511 1.00 1.05 C ATOM 152 NZ LYS A 11 -3.531 4.461 -7.429 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.527 6.146 -1.556 1.00 0.51 H ATOM 154 HA LYS A 11 -4.959 6.010 -3.196 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.517 4.223 -3.178 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.923 3.993 -4.209 1.00 0.39 H ATOM 157 HG2 LYS A 11 -3.479 6.095 -5.331 1.00 0.81 H ATOM 158 HG3 LYS A 11 -2.114 6.403 -4.255 1.00 0.69 H ATOM 159 HD2 LYS A 11 -1.299 5.553 -6.364 1.00 0.84 H ATOM 160 HD3 LYS A 11 -1.032 4.351 -5.101 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.842 3.260 -7.094 1.00 1.67 H ATOM 162 HE3 LYS A 11 -3.070 3.169 -5.836 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -4.245 4.990 -6.886 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -4.011 3.731 -7.991 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -3.048 5.116 -8.076 1.00 1.93 H HETATM 166 N MMO A 12 -6.077 4.075 -1.962 1.00 0.18 N HETATM 167 CA MMO A 12 -6.743 3.098 -1.087 1.00 0.17 C HETATM 168 C MMO A 12 -7.035 1.773 -1.784 1.00 0.14 C HETATM 169 O MMO A 12 -7.440 1.726 -2.948 1.00 0.25 O HETATM 170 CB MMO A 12 -8.037 3.787 -0.641 1.00 0.28 C HETATM 171 CG MMO A 12 -7.806 4.911 0.356 1.00 0.38 C HETATM 172 CD MMO A 12 -9.104 5.584 0.755 1.00 0.55 C HETATM 173 NE MMO A 12 -9.666 6.386 -0.329 1.00 1.09 N HETATM 174 CZ MMO A 12 -10.817 7.043 -0.244 1.00 1.58 C HETATM 175 NH2 MMO A 12 -11.549 6.977 0.862 1.00 1.59 N HETATM 176 NH1 MMO A 12 -11.240 7.770 -1.270 1.00 2.55 N HETATM 177 CN MMO A 12 -6.800 4.619 -3.131 1.00 0.27 C HETATM 178 HA MMO A 12 -6.136 2.896 -0.217 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.676 3.051 -0.175 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.538 4.194 -1.506 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.150 5.645 -0.091 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.339 4.501 1.239 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -8.917 6.224 1.605 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.817 4.821 1.030 1.00 1.20 H HETATM 185 HH21 MMO A 12 -11.235 6.429 1.642 1.00 1.64 H HETATM 186 HH22 MMO A 12 -12.416 7.478 0.924 1.00 2.05 H HETATM 187 HH11 MMO A 12 -12.109 8.269 -1.210 1.00 2.91 H HETATM 188 HC1 MMO A 12 -6.140 4.642 -3.983 1.00 1.00 H HETATM 189 HC2 MMO A 12 -7.141 5.620 -2.910 1.00 1.08 H HETATM 190 HC3 MMO A 12 -7.648 3.989 -3.354 1.00 1.02 H HETATM 191 HE MMO A 12 -9.144 6.448 -1.164 1.00 1.66 H HETATM 192 HH12 MMO A 12 -10.690 7.825 -2.109 1.00 3.06 H ATOM 193 N PHE A 13 -6.810 0.698 -1.055 1.00 0.13 N ATOM 194 CA PHE A 13 -6.947 -0.650 -1.582 1.00 0.12 C ATOM 195 C PHE A 13 -7.849 -1.466 -0.666 1.00 0.16 C ATOM 196 O PHE A 13 -7.847 -1.266 0.546 1.00 0.32 O ATOM 197 CB PHE A 13 -5.567 -1.309 -1.679 1.00 0.18 C ATOM 198 CG PHE A 13 -4.580 -0.533 -2.506 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.344 -0.870 -3.826 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.888 0.532 -1.957 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.438 -0.157 -4.585 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.980 1.249 -2.709 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.755 0.905 -4.026 1.00 0.36 C ATOM 204 H PHE A 13 -6.546 0.813 -0.116 1.00 0.24 H ATOM 205 HA PHE A 13 -7.390 -0.591 -2.564 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.155 -1.408 -0.688 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.673 -2.288 -2.120 1.00 0.19 H ATOM 208 HD1 PHE A 13 -4.881 -1.698 -4.265 1.00 0.28 H ATOM 209 HD2 PHE A 13 -4.067 0.805 -0.927 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.262 -0.431 -5.612 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.447 2.077 -2.266 1.00 0.41 H ATOM 212 HZ PHE A 13 -2.045 1.464 -4.617 1.00 0.41 H ATOM 213 N THR A 14 -8.615 -2.380 -1.235 1.00 0.20 N ATOM 214 CA THR A 14 -9.559 -3.164 -0.449 1.00 0.26 C ATOM 215 C THR A 14 -8.900 -4.432 0.102 1.00 0.18 C ATOM 216 O THR A 14 -9.494 -5.155 0.901 1.00 0.32 O ATOM 217 CB THR A 14 -10.817 -3.524 -1.277 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.834 -4.090 -0.438 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.479 -4.502 -2.389 1.00 0.93 C ATOM 220 H THR A 14 -8.550 -2.528 -2.206 1.00 0.30 H ATOM 221 HA THR A 14 -9.870 -2.556 0.387 1.00 0.34 H ATOM 222 HB THR A 14 -11.201 -2.619 -1.725 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.581 -3.979 0.489 1.00 1.99 H ATOM 224 HG21 THR A 14 -10.128 -5.428 -1.958 1.00 1.54 H ATOM 225 HG22 THR A 14 -9.707 -4.082 -3.015 1.00 1.62 H ATOM 226 HG23 THR A 14 -11.359 -4.693 -2.981 1.00 1.52 H ATOM 227 N ARG A 15 -7.665 -4.688 -0.315 1.00 0.16 N ATOM 228 CA ARG A 15 -6.912 -5.833 0.178 1.00 0.16 C ATOM 229 C ARG A 15 -5.587 -5.377 0.770 1.00 0.14 C ATOM 230 O ARG A 15 -4.821 -4.654 0.128 1.00 0.14 O ATOM 231 CB ARG A 15 -6.661 -6.845 -0.942 1.00 0.29 C ATOM 232 CG ARG A 15 -7.920 -7.543 -1.432 1.00 0.31 C ATOM 233 CD ARG A 15 -7.593 -8.758 -2.292 1.00 0.92 C ATOM 234 NE ARG A 15 -6.868 -8.403 -3.512 1.00 1.27 N ATOM 235 CZ ARG A 15 -6.083 -9.251 -4.185 1.00 1.98 C ATOM 236 NH1 ARG A 15 -5.883 -10.482 -3.727 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -5.492 -8.861 -5.311 1.00 2.55 N ATOM 238 H ARG A 15 -7.245 -4.089 -0.965 1.00 0.29 H ATOM 239 HA ARG A 15 -7.497 -6.301 0.954 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.214 -6.331 -1.778 1.00 0.36 H ATOM 241 HB3 ARG A 15 -5.974 -7.595 -0.585 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.498 -7.864 -0.578 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.500 -6.846 -2.018 1.00 0.65 H ATOM 244 HD2 ARG A 15 -6.987 -9.438 -1.713 1.00 1.45 H ATOM 245 HD3 ARG A 15 -8.515 -9.248 -2.564 1.00 1.50 H ATOM 246 HE ARG A 15 -6.984 -7.478 -3.858 1.00 1.47 H ATOM 247 HH11 ARG A 15 -6.319 -10.781 -2.874 1.00 2.52 H ATOM 248 HH12 ARG A 15 -5.296 -11.122 -4.233 1.00 3.13 H ATOM 249 HH21 ARG A 15 -5.633 -7.933 -5.661 1.00 2.68 H ATOM 250 HH22 ARG A 15 -4.893 -9.495 -5.815 1.00 3.07 H ATOM 251 N SER A 16 -5.332 -5.817 2.000 1.00 0.15 N ATOM 252 CA SER A 16 -4.145 -5.420 2.747 1.00 0.17 C ATOM 253 C SER A 16 -2.884 -5.889 2.036 1.00 0.15 C ATOM 254 O SER A 16 -1.884 -5.177 2.001 1.00 0.17 O ATOM 255 CB SER A 16 -4.209 -5.984 4.170 1.00 0.24 C ATOM 256 OG SER A 16 -3.181 -5.454 4.989 1.00 1.27 O ATOM 257 H SER A 16 -5.967 -6.439 2.417 1.00 0.17 H ATOM 258 HA SER A 16 -4.132 -4.342 2.796 1.00 0.18 H ATOM 259 HB2 SER A 16 -5.163 -5.733 4.610 1.00 1.04 H ATOM 260 HB3 SER A 16 -4.104 -7.058 4.131 1.00 1.05 H ATOM 261 HG SER A 16 -2.427 -5.202 4.437 1.00 1.61 H HETATM 262 OE1 B3D A 17 -1.087 -8.816 3.705 1.00 2.20 O HETATM 263 CD B3D A 17 -0.506 -8.772 2.597 1.00 1.42 C HETATM 264 OE2 B3D A 17 0.729 -8.609 2.485 1.00 2.21 O HETATM 265 CG B3D A 17 -1.333 -8.942 1.336 1.00 0.28 C HETATM 266 CB B3D A 17 -1.805 -7.605 0.742 1.00 0.19 C HETATM 267 N B3D A 17 -2.927 -7.090 1.477 1.00 0.15 N HETATM 268 CA B3D A 17 -2.198 -7.873 -0.703 1.00 0.16 C HETATM 269 C B3D A 17 -1.840 -6.742 -1.623 1.00 0.15 C HETATM 270 O B3D A 17 -0.670 -6.484 -1.892 1.00 0.20 O HETATM 271 HG3 B3D A 17 -2.194 -9.544 1.575 1.00 1.07 H HETATM 272 HG2 B3D A 17 -0.733 -9.463 0.605 1.00 0.93 H HETATM 273 HB B3D A 17 -1.026 -6.820 0.783 1.00 0.20 H HETATM 274 H B3D A 17 -3.741 -7.635 1.563 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.692 -8.762 -1.045 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.266 -8.028 -0.756 1.00 0.15 H ATOM 277 N GLU A 18 -2.864 -6.029 -2.070 1.00 0.14 N ATOM 278 CA GLU A 18 -2.692 -4.933 -3.005 1.00 0.21 C ATOM 279 C GLU A 18 -2.088 -3.712 -2.324 1.00 0.15 C ATOM 280 O GLU A 18 -1.296 -2.993 -2.925 1.00 0.18 O ATOM 281 CB GLU A 18 -4.037 -4.573 -3.631 1.00 0.39 C ATOM 282 CG GLU A 18 -4.638 -5.700 -4.450 1.00 0.56 C ATOM 283 CD GLU A 18 -6.024 -5.377 -4.962 1.00 1.75 C ATOM 284 OE1 GLU A 18 -7.007 -5.859 -4.369 1.00 2.68 O ATOM 285 OE2 GLU A 18 -6.136 -4.643 -5.965 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.764 -6.247 -1.759 1.00 0.13 H ATOM 287 HA GLU A 18 -2.022 -5.263 -3.784 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.732 -4.320 -2.842 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.906 -3.716 -4.274 1.00 0.44 H ATOM 290 HG2 GLU A 18 -3.995 -5.898 -5.293 1.00 0.84 H ATOM 291 HG3 GLU A 18 -4.697 -6.583 -3.832 1.00 0.95 H ATOM 292 N LEU A 19 -2.464 -3.483 -1.072 1.00 0.15 N ATOM 293 CA LEU A 19 -1.960 -2.338 -0.321 1.00 0.17 C ATOM 294 C LEU A 19 -0.462 -2.482 -0.063 1.00 0.16 C ATOM 295 O LEU A 19 0.323 -1.614 -0.436 1.00 0.19 O ATOM 296 CB LEU A 19 -2.743 -2.190 0.999 1.00 0.22 C ATOM 297 CG LEU A 19 -2.363 -1.010 1.919 1.00 0.31 C ATOM 298 CD1 LEU A 19 -1.193 -1.368 2.822 1.00 0.69 C ATOM 299 CD2 LEU A 19 -2.045 0.243 1.114 1.00 0.86 C ATOM 300 H LEU A 19 -3.104 -4.092 -0.640 1.00 0.16 H ATOM 301 HA LEU A 19 -2.121 -1.459 -0.922 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.789 -2.094 0.754 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.615 -3.104 1.562 1.00 0.20 H ATOM 304 HG LEU A 19 -3.207 -0.785 2.555 1.00 0.82 H ATOM 305 HD11 LEU A 19 -0.942 -0.519 3.440 1.00 1.31 H ATOM 306 HD12 LEU A 19 -0.341 -1.641 2.217 1.00 1.20 H ATOM 307 HD13 LEU A 19 -1.469 -2.202 3.452 1.00 1.31 H ATOM 308 HD21 LEU A 19 -1.262 0.028 0.402 1.00 1.38 H ATOM 309 HD22 LEU A 19 -1.716 1.026 1.783 1.00 1.53 H ATOM 310 HD23 LEU A 19 -2.929 0.569 0.592 1.00 1.36 H ATOM 311 N GLN A 20 -0.072 -3.582 0.560 1.00 0.16 N ATOM 312 CA GLN A 20 1.318 -3.789 0.934 1.00 0.21 C ATOM 313 C GLN A 20 2.169 -4.167 -0.274 1.00 0.16 C ATOM 314 O GLN A 20 3.299 -3.704 -0.416 1.00 0.16 O ATOM 315 CB GLN A 20 1.426 -4.867 2.013 1.00 0.30 C ATOM 316 CG GLN A 20 2.842 -5.066 2.534 1.00 0.37 C ATOM 317 CD GLN A 20 2.909 -6.008 3.721 1.00 1.09 C ATOM 318 OE1 GLN A 20 3.894 -6.726 3.907 1.00 1.82 O ATOM 319 NE2 GLN A 20 1.871 -6.008 4.541 1.00 1.83 N ATOM 320 H GLN A 20 -0.741 -4.266 0.790 1.00 0.16 H ATOM 321 HA GLN A 20 1.688 -2.860 1.335 1.00 0.27 H ATOM 322 HB2 GLN A 20 0.793 -4.595 2.842 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.083 -5.804 1.603 1.00 0.30 H ATOM 324 HG2 GLN A 20 3.450 -5.472 1.739 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.238 -4.107 2.833 1.00 1.00 H ATOM 326 HE21 GLN A 20 1.121 -5.408 4.342 1.00 2.08 H ATOM 327 HE22 GLN A 20 1.894 -6.609 5.318 1.00 2.45 H HETATM 328 N HMR A 21 1.627 -4.994 -1.154 1.00 0.18 N HETATM 329 CA HMR A 21 2.363 -5.418 -2.313 1.00 0.19 C HETATM 330 CB HMR A 21 2.341 -6.953 -2.347 1.00 0.29 C HETATM 331 CG HMR A 21 2.576 -7.580 -0.983 1.00 0.51 C HETATM 332 CD HMR A 21 2.311 -9.074 -0.992 1.00 0.94 C HETATM 333 NE HMR A 21 2.232 -9.612 0.364 1.00 1.75 N HETATM 334 CZ HMR A 21 2.602 -10.842 0.704 1.00 2.14 C HETATM 335 NH1 HMR A 21 3.078 -11.678 -0.213 1.00 1.94 N HETATM 336 NH2 HMR A 21 2.495 -11.236 1.966 1.00 3.01 N HETATM 337 C HMR A 21 2.153 -3.562 -4.029 1.00 0.17 C HETATM 338 O HMR A 21 3.178 -3.391 -4.692 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.708 -4.935 -3.611 1.00 0.16 C HETATM 340 H HMR A 21 0.707 -5.319 -1.019 1.00 0.22 H HETATM 341 HA HMR A 21 3.384 -4.996 -2.208 1.00 0.23 H HETATM 342 HB2 HMR A 21 3.109 -7.300 -3.019 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.377 -7.277 -2.709 1.00 0.29 H HETATM 344 HG2 HMR A 21 1.916 -7.112 -0.267 1.00 0.69 H HETATM 345 HG3 HMR A 21 3.602 -7.410 -0.691 1.00 0.87 H HETATM 346 HD2 HMR A 21 3.112 -9.569 -1.520 1.00 1.35 H HETATM 347 HD3 HMR A 21 1.375 -9.260 -1.499 1.00 1.23 H HETATM 348 HE HMR A 21 1.860 -9.019 1.065 1.00 2.22 H HETATM 349 HH1 HMR A 21 3.160 -11.386 -1.167 1.00 1.68 H HETATM 350 HH21 HMR A 21 2.772 -12.162 2.233 1.00 3.31 H HETATM 351 HH22 HMR A 21 2.135 -10.607 2.662 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.955 -5.626 -4.402 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.636 -4.915 -3.478 1.00 0.14 H HETATM 354 HH2 HMR A 21 3.356 -12.606 0.048 1.00 2.33 H ATOM 355 N HIS A 22 1.369 -2.573 -3.628 1.00 0.15 N ATOM 356 CA HIS A 22 1.658 -1.184 -3.929 1.00 0.15 C ATOM 357 C HIS A 22 2.800 -0.652 -3.062 1.00 0.13 C ATOM 358 O HIS A 22 3.779 -0.127 -3.589 1.00 0.12 O ATOM 359 CB HIS A 22 0.395 -0.332 -3.745 1.00 0.20 C ATOM 360 CG HIS A 22 0.675 1.135 -3.664 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.744 1.990 -4.759 1.00 0.20 N ATOM 362 CD2 HIS A 22 0.992 1.882 -2.582 1.00 0.17 C ATOM 363 CE1 HIS A 22 1.116 3.200 -4.306 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.268 3.153 -3.008 1.00 0.18 N ATOM 365 H HIS A 22 0.559 -2.788 -3.115 1.00 0.18 H ATOM 366 HA HIS A 22 1.962 -1.131 -4.962 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.269 -0.499 -4.580 1.00 0.25 H ATOM 368 HB3 HIS A 22 -0.100 -0.628 -2.831 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.562 1.753 -5.695 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.015 1.547 -1.555 1.00 0.21 H ATOM 371 HE1 HIS A 22 1.270 4.075 -4.919 1.00 0.27 H ATOM 372 N LYS A 23 2.667 -0.791 -1.739 1.00 0.18 N ATOM 373 CA LYS A 23 3.650 -0.250 -0.793 1.00 0.19 C ATOM 374 C LYS A 23 5.053 -0.677 -1.197 1.00 0.17 C ATOM 375 O LYS A 23 6.003 0.112 -1.158 1.00 0.18 O ATOM 376 CB LYS A 23 3.342 -0.727 0.629 1.00 0.27 C ATOM 377 CG LYS A 23 4.175 -0.046 1.706 1.00 0.73 C ATOM 378 CD LYS A 23 3.678 1.363 2.008 1.00 0.61 C ATOM 379 CE LYS A 23 2.293 1.350 2.647 1.00 0.85 C ATOM 380 NZ LYS A 23 1.853 2.715 3.042 1.00 1.01 N1+ ATOM 381 H LYS A 23 1.885 -1.273 -1.387 1.00 0.22 H ATOM 382 HA LYS A 23 3.589 0.826 -0.829 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.301 -0.541 0.840 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.525 -1.790 0.685 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.127 -0.635 2.609 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.200 0.011 1.368 1.00 1.25 H ATOM 387 HD2 LYS A 23 4.370 1.842 2.686 1.00 0.85 H ATOM 388 HD3 LYS A 23 3.631 1.922 1.086 1.00 0.88 H ATOM 389 HE2 LYS A 23 1.583 0.946 1.938 1.00 1.56 H ATOM 390 HE3 LYS A 23 2.321 0.721 3.524 1.00 1.39 H ATOM 391 HZ1 LYS A 23 2.545 3.139 3.691 1.00 1.57 H ATOM 392 HZ2 LYS A 23 0.934 2.668 3.524 1.00 1.30 H ATOM 393 HZ3 LYS A 23 1.763 3.321 2.201 1.00 1.62 H HETATM 394 N HMR A 24 5.173 -1.931 -1.588 1.00 0.18 N HETATM 395 CA HMR A 24 6.423 -2.459 -2.039 1.00 0.20 C HETATM 396 CB HMR A 24 6.545 -3.903 -1.533 1.00 0.30 C HETATM 397 CG HMR A 24 7.847 -4.599 -1.891 1.00 0.34 C HETATM 398 CD HMR A 24 7.900 -5.993 -1.290 1.00 0.50 C HETATM 399 NE HMR A 24 9.159 -6.674 -1.583 1.00 0.95 N HETATM 400 CZ HMR A 24 9.655 -7.666 -0.848 1.00 1.35 C HETATM 401 NH1 HMR A 24 10.802 -8.234 -1.192 1.00 1.85 N HETATM 402 NH2 HMR A 24 9.000 -8.095 0.225 1.00 1.46 N HETATM 403 C HMR A 24 7.216 -1.334 -4.182 1.00 0.18 C HETATM 404 O HMR A 24 8.420 -1.427 -4.441 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.457 -2.488 -3.568 1.00 0.21 C HETATM 406 H HMR A 24 4.382 -2.520 -1.559 1.00 0.21 H HETATM 407 HA HMR A 24 7.211 -1.793 -1.646 1.00 0.21 H HETATM 408 HB2 HMR A 24 5.731 -4.480 -1.945 1.00 0.35 H HETATM 409 HB3 HMR A 24 6.457 -3.897 -0.458 1.00 0.37 H HETATM 410 HG2 HMR A 24 8.674 -4.020 -1.510 1.00 0.40 H HETATM 411 HG3 HMR A 24 7.922 -4.678 -2.965 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.083 -6.576 -1.691 1.00 0.63 H HETATM 413 HD3 HMR A 24 7.790 -5.912 -0.219 1.00 0.77 H HETATM 414 HE HMR A 24 9.663 -6.370 -2.374 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.296 -7.918 -2.005 1.00 2.03 H HETATM 416 HH21 HMR A 24 8.128 -7.674 0.484 1.00 1.35 H HETATM 417 HH22 HMR A 24 9.375 -8.844 0.780 1.00 1.83 H HETATM 418 HC1 HMR A 24 6.922 -3.403 -3.889 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.444 -2.460 -3.940 1.00 0.23 H HETATM 420 HH2 HMR A 24 11.181 -8.983 -0.641 1.00 2.15 H ATOM 421 N THR A 25 6.506 -0.231 -4.407 1.00 0.16 N ATOM 422 CA THR A 25 7.070 0.923 -5.093 1.00 0.23 C ATOM 423 C THR A 25 7.824 1.849 -4.134 1.00 0.22 C ATOM 424 O THR A 25 8.796 2.495 -4.527 1.00 0.34 O ATOM 425 CB THR A 25 5.984 1.725 -5.861 1.00 0.34 C ATOM 426 OG1 THR A 25 6.594 2.751 -6.656 1.00 1.33 O ATOM 427 CG2 THR A 25 4.975 2.364 -4.914 1.00 1.09 C ATOM 428 H THR A 25 5.569 -0.200 -4.106 1.00 0.17 H ATOM 429 HA THR A 25 7.772 0.547 -5.819 1.00 0.30 H ATOM 430 HB THR A 25 5.457 1.043 -6.512 1.00 0.94 H ATOM 431 HG1 THR A 25 7.097 2.342 -7.373 1.00 1.98 H ATOM 432 HG21 THR A 25 4.466 1.595 -4.351 1.00 1.66 H ATOM 433 HG22 THR A 25 4.254 2.927 -5.486 1.00 1.47 H ATOM 434 HG23 THR A 25 5.490 3.027 -4.235 1.00 1.67 H ATOM 435 N HIS A 26 7.392 1.912 -2.878 1.00 0.20 N ATOM 436 CA HIS A 26 8.074 2.753 -1.903 1.00 0.25 C ATOM 437 C HIS A 26 9.157 1.946 -1.210 1.00 0.30 C ATOM 438 O HIS A 26 10.268 2.424 -0.984 1.00 0.38 O ATOM 439 CB HIS A 26 7.119 3.298 -0.835 1.00 0.25 C ATOM 440 CG HIS A 26 5.906 4.010 -1.348 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.918 5.234 -2.013 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.605 3.666 -1.218 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.634 5.584 -2.248 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.837 4.659 -1.778 1.00 0.25 N ATOM 445 H HIS A 26 6.616 1.377 -2.600 1.00 0.24 H ATOM 446 HA HIS A 26 8.529 3.577 -2.430 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.774 2.473 -0.230 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.663 3.988 -0.206 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.715 5.750 -2.265 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.225 2.770 -0.758 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.316 6.492 -2.738 1.00 0.37 H HETATM 452 CG B3T A 27 9.119 -0.756 1.089 1.00 0.60 C HETATM 453 OD1 B3T A 27 7.862 -1.377 0.793 1.00 0.76 O HETATM 454 CD2 B3T A 27 8.916 0.335 2.131 1.00 0.76 C HETATM 455 CB B3T A 27 9.741 -0.185 -0.195 1.00 0.46 C HETATM 456 N B3T A 27 8.815 0.712 -0.874 1.00 0.36 N HETATM 457 CA B3T A 27 10.173 -1.316 -1.132 1.00 0.62 C HETATM 458 C B3T A 27 11.628 -1.705 -0.945 1.00 0.82 C HETATM 459 O B3T A 27 12.484 -0.854 -0.692 1.00 1.03 O HETATM 460 HG B3T A 27 9.792 -1.498 1.493 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.313 -0.769 0.286 1.00 1.25 H HETATM 462 H1D2 B3T A 27 8.462 -0.091 3.013 1.00 1.25 H HETATM 463 H2D2 B3T A 27 8.270 1.100 1.728 1.00 1.43 H HETATM 464 H3D2 B3T A 27 9.871 0.769 2.389 1.00 1.15 H HETATM 465 HB B3T A 27 10.606 0.384 0.091 1.00 0.52 H HETATM 466 HN B3T A 27 7.909 0.396 -1.083 1.00 0.39 H HETATM 467 HA B3T A 27 10.033 -1.000 -2.154 1.00 0.63 H HETATM 468 HAA B3T A 27 9.559 -2.182 -0.940 1.00 0.70 H ATOM 469 N GLY A 28 11.911 -2.998 -1.061 1.00 1.30 N ATOM 470 CA GLY A 28 13.265 -3.490 -0.881 1.00 1.53 C ATOM 471 C GLY A 28 13.636 -3.635 0.580 1.00 1.68 C ATOM 472 O GLY A 28 13.835 -4.747 1.075 1.00 2.18 O ATOM 473 H GLY A 28 11.193 -3.629 -1.287 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.354 -4.452 -1.361 1.00 1.86 H ATOM 475 HA3 GLY A 28 13.951 -2.802 -1.350 1.00 1.58 H ATOM 476 N GLU A 29 13.700 -2.510 1.278 1.00 1.96 N ATOM 477 CA GLU A 29 14.088 -2.491 2.685 1.00 2.41 C ATOM 478 C GLU A 29 12.981 -3.058 3.570 1.00 2.39 C ATOM 479 O GLU A 29 13.202 -3.364 4.739 1.00 3.19 O ATOM 480 CB GLU A 29 14.435 -1.061 3.110 1.00 3.15 C ATOM 481 CG GLU A 29 13.305 -0.069 2.905 1.00 3.91 C ATOM 482 CD GLU A 29 13.776 1.364 3.004 1.00 4.36 C ATOM 483 OE1 GLU A 29 13.845 1.904 4.128 1.00 4.89 O ATOM 484 OE2 GLU A 29 14.092 1.957 1.954 1.00 4.51 O1- ATOM 485 H GLU A 29 13.485 -1.662 0.832 1.00 2.25 H ATOM 486 HA GLU A 29 14.966 -3.109 2.790 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.693 -1.062 4.159 1.00 3.38 H ATOM 488 HB3 GLU A 29 15.288 -0.724 2.541 1.00 3.49 H ATOM 489 HG2 GLU A 29 12.876 -0.225 1.927 1.00 4.30 H ATOM 490 HG3 GLU A 29 12.553 -0.240 3.660 1.00 4.26 H ATOM 491 N LYS A 30 11.794 -3.203 2.999 1.00 1.95 N ATOM 492 CA LYS A 30 10.660 -3.750 3.724 1.00 2.32 C ATOM 493 C LYS A 30 9.806 -4.601 2.790 1.00 2.89 C ATOM 494 O LYS A 30 8.933 -4.097 2.089 1.00 3.15 O ATOM 495 CB LYS A 30 9.828 -2.619 4.340 1.00 2.23 C ATOM 496 CG LYS A 30 8.669 -3.101 5.195 1.00 2.98 C ATOM 497 CD LYS A 30 7.896 -1.931 5.783 1.00 3.35 C ATOM 498 CE LYS A 30 6.717 -2.405 6.614 1.00 3.96 C ATOM 499 NZ LYS A 30 5.719 -3.140 5.794 1.00 4.54 N1+ ATOM 500 H LYS A 30 11.682 -2.941 2.065 1.00 1.83 H ATOM 501 HA LYS A 30 11.044 -4.379 4.516 1.00 2.86 H ATOM 502 HB2 LYS A 30 10.472 -2.011 4.958 1.00 2.41 H ATOM 503 HB3 LYS A 30 9.429 -2.009 3.546 1.00 2.30 H ATOM 504 HG2 LYS A 30 8.004 -3.693 4.586 1.00 3.30 H ATOM 505 HG3 LYS A 30 9.058 -3.707 6.002 1.00 3.48 H ATOM 506 HD2 LYS A 30 8.557 -1.354 6.412 1.00 3.50 H ATOM 507 HD3 LYS A 30 7.529 -1.312 4.976 1.00 3.54 H ATOM 508 HE2 LYS A 30 7.082 -3.060 7.390 1.00 4.07 H ATOM 509 HE3 LYS A 30 6.241 -1.547 7.062 1.00 4.35 H ATOM 510 HZ1 LYS A 30 5.349 -2.522 5.040 1.00 4.69 H ATOM 511 HZ2 LYS A 30 4.927 -3.453 6.389 1.00 4.86 H ATOM 512 HZ3 LYS A 30 6.159 -3.971 5.358 1.00 4.84 H HETATM 513 N NH2 A 31 10.085 -5.891 2.759 1.00 3.54 N HETATM 514 HN1 NH2 A 31 10.797 -6.225 3.347 1.00 3.61 H HETATM 515 HN2 NH2 A 31 9.573 -6.461 2.151 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.842 4.639 -1.822 1.00 0.26 ZN