ATOM 1 N LYS A 1 8.664 1.695 5.984 1.00 0.00 N ATOM 2 CA LYS A 1 7.240 2.046 6.242 1.00 0.00 C ATOM 3 C LYS A 1 6.678 2.929 5.127 1.00 0.00 C ATOM 4 O LYS A 1 5.564 2.700 4.652 1.00 0.00 O ATOM 5 CB LYS A 1 7.102 2.756 7.596 1.00 0.00 C ATOM 6 CG LYS A 1 7.286 1.838 8.795 1.00 0.00 C ATOM 7 CD LYS A 1 7.139 2.596 10.105 1.00 0.00 C ATOM 8 CE LYS A 1 7.328 1.680 11.302 1.00 0.00 C ATOM 9 NZ LYS A 1 7.185 2.413 12.591 1.00 0.00 N1+ ATOM 10 H1 LYS A 1 9.027 1.090 6.747 1.00 0.00 H ATOM 11 H2 LYS A 1 9.242 2.559 5.937 1.00 0.00 H ATOM 12 H3 LYS A 1 8.748 1.187 5.080 1.00 0.00 H ATOM 13 HA LYS A 1 6.671 1.128 6.271 1.00 0.00 H ATOM 14 HB2 LYS A 1 7.843 3.540 7.654 1.00 0.00 H ATOM 15 HB3 LYS A 1 6.119 3.199 7.657 1.00 0.00 H ATOM 16 HG2 LYS A 1 6.542 1.058 8.757 1.00 0.00 H ATOM 17 HG3 LYS A 1 8.273 1.400 8.752 1.00 0.00 H ATOM 18 HD2 LYS A 1 7.882 3.378 10.142 1.00 0.00 H ATOM 19 HD3 LYS A 1 6.151 3.031 10.148 1.00 0.00 H ATOM 20 HE2 LYS A 1 6.585 0.895 11.261 1.00 0.00 H ATOM 21 HE3 LYS A 1 8.314 1.243 11.254 1.00 0.00 H ATOM 22 HZ1 LYS A 1 7.897 3.169 12.652 1.00 0.00 H ATOM 23 HZ2 LYS A 1 7.318 1.761 13.390 1.00 0.00 H ATOM 24 HZ3 LYS A 1 6.237 2.836 12.658 1.00 0.00 H ATOM 25 N TYR A 2 7.469 3.932 4.707 1.00 0.00 N ATOM 26 CA TYR A 2 7.073 4.867 3.645 1.00 0.00 C ATOM 27 C TYR A 2 7.225 4.228 2.251 1.00 0.00 C ATOM 28 O TYR A 2 8.089 3.362 2.085 1.00 0.00 O ATOM 29 CB TYR A 2 7.922 6.141 3.726 1.00 0.00 C ATOM 30 CG TYR A 2 7.581 7.030 4.903 1.00 0.00 C ATOM 31 CD1 TYR A 2 6.620 8.027 4.789 1.00 0.00 C ATOM 32 CD2 TYR A 2 8.222 6.874 6.125 1.00 0.00 C ATOM 33 CE1 TYR A 2 6.306 8.841 5.861 1.00 0.00 C ATOM 34 CE2 TYR A 2 7.913 7.684 7.202 1.00 0.00 C ATOM 35 CZ TYR A 2 6.956 8.666 7.064 1.00 0.00 C ATOM 36 OH TYR A 2 6.645 9.475 8.133 1.00 0.00 O ATOM 37 H TYR A 2 8.348 4.043 5.126 1.00 0.00 H ATOM 38 HA TYR A 2 6.037 5.125 3.803 1.00 0.00 H ATOM 39 HB2 TYR A 2 8.962 5.863 3.815 1.00 0.00 H ATOM 40 HB3 TYR A 2 7.788 6.717 2.824 1.00 0.00 H ATOM 41 HD1 TYR A 2 6.114 8.162 3.845 1.00 0.00 H ATOM 42 HD2 TYR A 2 8.972 6.103 6.230 1.00 0.00 H ATOM 43 HE1 TYR A 2 5.556 9.610 5.752 1.00 0.00 H ATOM 44 HE2 TYR A 2 8.422 7.546 8.145 1.00 0.00 H ATOM 45 HH TYR A 2 7.455 9.768 8.558 1.00 0.00 H HETATM 46 N MAA A 3 6.378 4.622 1.219 1.00 0.00 N HETATM 47 CM MAA A 3 5.307 5.624 1.466 1.00 0.00 C HETATM 48 CA MAA A 3 6.466 4.053 -0.163 1.00 0.00 C HETATM 49 CB MAA A 3 7.877 4.112 -0.715 1.00 0.00 C HETATM 50 C MAA A 3 6.049 2.602 -0.209 1.00 0.00 C HETATM 51 O MAA A 3 6.212 1.851 0.752 1.00 0.00 O HETATM 52 HM1 MAA A 3 5.717 6.471 1.994 1.00 0.00 H HETATM 53 HM2 MAA A 3 4.525 5.174 2.060 1.00 0.00 H HETATM 54 HM3 MAA A 3 4.894 5.956 0.526 1.00 0.00 H HETATM 55 HA MAA A 3 5.821 4.605 -0.863 1.00 0.00 H HETATM 56 HB1 MAA A 3 8.102 5.113 -1.043 1.00 0.00 H HETATM 57 HB2 MAA A 3 7.938 3.423 -1.548 1.00 0.00 H HETATM 58 HB3 MAA A 3 8.571 3.809 0.052 1.00 0.00 H ATOM 59 N CYS A 4 5.585 2.226 -1.384 1.00 0.00 N ATOM 60 CA CYS A 4 5.122 0.890 -1.682 1.00 0.00 C ATOM 61 C CYS A 4 6.250 -0.108 -1.865 1.00 0.00 C ATOM 62 O CYS A 4 7.319 0.214 -2.389 1.00 0.00 O ATOM 63 CB CYS A 4 4.270 0.979 -2.904 1.00 0.00 C ATOM 64 SG CYS A 4 3.952 -0.586 -3.684 1.00 0.00 S ATOM 65 H CYS A 4 5.551 2.893 -2.100 1.00 0.00 H ATOM 66 HA CYS A 4 4.521 0.524 -0.877 1.00 0.00 H ATOM 67 HB2 CYS A 4 3.317 1.428 -2.648 1.00 0.00 H ATOM 68 HB3 CYS A 4 4.770 1.599 -3.624 1.00 0.00 H ATOM 69 N PRO A 5 5.983 -1.349 -1.414 1.00 0.00 N ATOM 70 CA PRO A 5 6.942 -2.454 -1.459 1.00 0.00 C ATOM 71 C PRO A 5 6.959 -3.284 -2.753 1.00 0.00 C ATOM 72 O PRO A 5 7.961 -3.946 -3.038 1.00 0.00 O ATOM 73 CB PRO A 5 6.416 -3.281 -0.298 1.00 0.00 C ATOM 74 CG PRO A 5 4.947 -3.215 -0.485 1.00 0.00 C ATOM 75 CD PRO A 5 4.706 -1.775 -0.753 1.00 0.00 C ATOM 76 HA PRO A 5 7.936 -2.120 -1.240 1.00 0.00 H ATOM 77 HB2 PRO A 5 6.786 -4.294 -0.346 1.00 0.00 H ATOM 78 HB3 PRO A 5 6.680 -2.806 0.631 1.00 0.00 H ATOM 79 HG2 PRO A 5 4.656 -3.806 -1.346 1.00 0.00 H ATOM 80 HG3 PRO A 5 4.428 -3.527 0.404 1.00 0.00 H ATOM 81 HD2 PRO A 5 3.859 -1.645 -1.413 1.00 0.00 H ATOM 82 HD3 PRO A 5 4.554 -1.243 0.175 1.00 0.00 H ATOM 83 N GLU A 6 5.868 -3.249 -3.529 1.00 0.00 N ATOM 84 CA GLU A 6 5.814 -4.074 -4.761 1.00 0.00 C ATOM 85 C GLU A 6 5.410 -3.281 -6.001 1.00 0.00 C ATOM 86 O GLU A 6 5.663 -3.730 -7.124 1.00 0.00 O ATOM 87 CB GLU A 6 4.911 -5.322 -4.620 1.00 0.00 C ATOM 88 CG GLU A 6 4.704 -5.820 -3.194 1.00 0.00 C ATOM 89 CD GLU A 6 4.343 -7.292 -3.137 1.00 0.00 C ATOM 90 OE1 GLU A 6 3.136 -7.609 -3.177 1.00 0.00 O ATOM 91 OE2 GLU A 6 5.268 -8.126 -3.052 1.00 0.00 O1- ATOM 92 H GLU A 6 5.118 -2.637 -3.293 1.00 0.00 H ATOM 93 HA GLU A 6 6.819 -4.423 -4.924 1.00 0.00 H ATOM 94 HB2 GLU A 6 3.944 -5.105 -5.042 1.00 0.00 H ATOM 95 HB3 GLU A 6 5.354 -6.128 -5.189 1.00 0.00 H ATOM 96 HG2 GLU A 6 5.612 -5.662 -2.634 1.00 0.00 H ATOM 97 HG3 GLU A 6 3.901 -5.252 -2.747 1.00 0.00 H ATOM 98 N CYS A 7 4.789 -2.111 -5.811 1.00 0.00 N ATOM 99 CA CYS A 7 4.392 -1.277 -6.956 1.00 0.00 C ATOM 100 C CYS A 7 4.681 0.218 -6.724 1.00 0.00 C ATOM 101 O CYS A 7 4.109 0.826 -5.831 1.00 0.00 O ATOM 102 CB CYS A 7 2.940 -1.496 -7.427 1.00 0.00 C ATOM 103 SG CYS A 7 1.648 -0.530 -6.597 1.00 0.00 S ATOM 104 H CYS A 7 4.643 -1.795 -4.891 1.00 0.00 H ATOM 105 HA CYS A 7 5.026 -1.606 -7.751 1.00 0.00 H ATOM 106 HB2 CYS A 7 2.889 -1.223 -8.465 1.00 0.00 H ATOM 107 HB3 CYS A 7 2.691 -2.538 -7.321 1.00 0.00 H ATOM 108 N PRO A 8 5.572 0.824 -7.565 1.00 0.00 N ATOM 109 CA PRO A 8 5.987 2.255 -7.495 1.00 0.00 C ATOM 110 C PRO A 8 4.837 3.284 -7.512 1.00 0.00 C ATOM 111 O PRO A 8 4.914 4.317 -8.192 1.00 0.00 O ATOM 112 CB PRO A 8 6.874 2.422 -8.738 1.00 0.00 C ATOM 113 CG PRO A 8 7.377 1.060 -9.036 1.00 0.00 C ATOM 114 CD PRO A 8 6.270 0.126 -8.646 1.00 0.00 C ATOM 115 HA PRO A 8 6.587 2.431 -6.613 1.00 0.00 H ATOM 116 HB2 PRO A 8 6.282 2.806 -9.560 1.00 0.00 H ATOM 117 HB3 PRO A 8 7.696 3.086 -8.524 1.00 0.00 H ATOM 118 HG2 PRO A 8 7.598 0.972 -10.091 1.00 0.00 H ATOM 119 HG3 PRO A 8 8.257 0.854 -8.446 1.00 0.00 H ATOM 120 HD2 PRO A 8 5.597 -0.038 -9.467 1.00 0.00 H ATOM 121 HD3 PRO A 8 6.670 -0.807 -8.283 1.00 0.00 H ATOM 122 N LYS A 9 3.782 3.000 -6.740 1.00 0.00 N ATOM 123 CA LYS A 9 2.639 3.888 -6.590 1.00 0.00 C ATOM 124 C LYS A 9 2.994 5.123 -5.743 1.00 0.00 C ATOM 125 O LYS A 9 2.526 6.214 -6.064 1.00 0.00 O ATOM 126 CB LYS A 9 1.426 3.095 -6.073 1.00 0.00 C ATOM 127 CG LYS A 9 0.083 3.604 -6.601 1.00 0.00 C ATOM 128 CD LYS A 9 -0.296 2.938 -7.917 1.00 0.00 C ATOM 129 CE LYS A 9 -1.632 3.445 -8.434 1.00 0.00 C ATOM 130 NZ LYS A 9 -2.012 2.799 -9.721 1.00 0.00 N1+ ATOM 131 H LYS A 9 3.764 2.146 -6.265 1.00 0.00 H ATOM 132 HA LYS A 9 2.411 4.252 -7.515 1.00 0.00 H ATOM 133 HB2 LYS A 9 1.536 2.067 -6.386 1.00 0.00 H ATOM 134 HB3 LYS A 9 1.413 3.127 -4.998 1.00 0.00 H ATOM 135 HG2 LYS A 9 -0.688 3.395 -5.874 1.00 0.00 H ATOM 136 HG3 LYS A 9 0.150 4.670 -6.758 1.00 0.00 H ATOM 137 HD2 LYS A 9 0.467 3.151 -8.651 1.00 0.00 H ATOM 138 HD3 LYS A 9 -0.361 1.870 -7.764 1.00 0.00 H ATOM 139 HE2 LYS A 9 -2.393 3.235 -7.698 1.00 0.00 H ATOM 140 HE3 LYS A 9 -1.563 4.513 -8.584 1.00 0.00 H ATOM 141 HZ1 LYS A 9 -1.291 2.993 -10.446 1.00 0.00 H ATOM 142 HZ2 LYS A 9 -2.926 3.169 -10.050 1.00 0.00 H ATOM 143 HZ3 LYS A 9 -2.093 1.770 -9.594 1.00 0.00 H HETATM 144 N MMO A 10 3.831 4.958 -4.666 1.00 0.00 N HETATM 145 CA MMO A 10 4.330 6.025 -3.776 1.00 0.00 C HETATM 146 C MMO A 10 3.482 7.290 -3.693 1.00 0.00 C HETATM 147 O MMO A 10 3.176 7.930 -4.703 1.00 0.00 O HETATM 148 CB MMO A 10 5.740 6.333 -4.300 1.00 0.00 C HETATM 149 CG MMO A 10 6.815 6.446 -3.240 1.00 0.00 C HETATM 150 CD MMO A 10 8.103 5.792 -3.722 1.00 0.00 C HETATM 151 NE MMO A 10 7.996 4.328 -3.814 1.00 0.00 N HETATM 152 CZ MMO A 10 8.986 3.512 -4.200 1.00 0.00 C HETATM 153 NH2 MMO A 10 8.776 2.203 -4.248 1.00 0.00 N HETATM 154 NH1 MMO A 10 10.181 3.992 -4.540 1.00 0.00 N HETATM 155 CN MMO A 10 4.229 3.608 -4.267 1.00 0.00 C HETATM 156 HA MMO A 10 4.387 5.596 -2.809 1.00 0.00 H HETATM 157 HCB1 MMO A 10 5.712 7.253 -4.856 1.00 0.00 H HETATM 158 HCB2 MMO A 10 6.029 5.534 -4.954 1.00 0.00 H HETATM 159 HCG1 MMO A 10 6.485 5.954 -2.343 1.00 0.00 H HETATM 160 HCG2 MMO A 10 7.005 7.489 -3.033 1.00 0.00 H HETATM 161 HCD1 MMO A 10 8.896 6.042 -3.037 1.00 0.00 H HETATM 162 HCD2 MMO A 10 8.335 6.178 -4.702 1.00 0.00 H HETATM 163 HH21 MMO A 10 7.882 1.831 -3.997 1.00 0.00 H HETATM 164 HH22 MMO A 10 9.510 1.589 -4.536 1.00 0.00 H HETATM 165 HH11 MMO A 10 10.908 3.367 -4.826 1.00 0.00 H HETATM 166 HC1 MMO A 10 5.286 3.477 -4.442 1.00 0.00 H HETATM 167 HC2 MMO A 10 3.670 2.895 -4.855 1.00 0.00 H HETATM 168 HC3 MMO A 10 4.013 3.467 -3.219 1.00 0.00 H HETATM 169 HE MMO A 10 7.133 3.929 -3.573 1.00 0.00 H HETATM 170 HH12 MMO A 10 10.352 4.976 -4.509 1.00 0.00 H ATOM 171 N PHE A 11 3.158 7.665 -2.457 1.00 0.00 N ATOM 172 CA PHE A 11 2.261 8.778 -2.196 1.00 0.00 C ATOM 173 C PHE A 11 2.877 9.764 -1.207 1.00 0.00 C ATOM 174 O PHE A 11 3.523 10.730 -1.622 1.00 0.00 O ATOM 175 CB PHE A 11 0.914 8.180 -1.691 1.00 0.00 C ATOM 176 CG PHE A 11 0.821 6.686 -1.960 1.00 0.00 C ATOM 177 CD1 PHE A 11 0.732 6.218 -3.264 1.00 0.00 C ATOM 178 CD2 PHE A 11 0.906 5.751 -0.933 1.00 0.00 C ATOM 179 CE1 PHE A 11 0.724 4.881 -3.538 1.00 0.00 C ATOM 180 CE2 PHE A 11 0.879 4.404 -1.215 1.00 0.00 C ATOM 181 CZ PHE A 11 0.787 3.972 -2.531 1.00 0.00 C ATOM 182 H PHE A 11 3.545 7.188 -1.696 1.00 0.00 H ATOM 183 HA PHE A 11 2.087 9.288 -3.130 1.00 0.00 H ATOM 184 HB2 PHE A 11 0.825 8.338 -0.627 1.00 0.00 H ATOM 185 HB3 PHE A 11 0.092 8.664 -2.198 1.00 0.00 H ATOM 186 HD1 PHE A 11 0.675 6.922 -4.073 1.00 0.00 H ATOM 187 HD2 PHE A 11 1.005 6.075 0.093 1.00 0.00 H ATOM 188 HE1 PHE A 11 0.692 4.536 -4.564 1.00 0.00 H ATOM 189 HE2 PHE A 11 0.916 3.695 -0.407 1.00 0.00 H ATOM 190 HZ PHE A 11 0.784 2.919 -2.781 1.00 0.00 H HETATM 191 N NLE A 12 2.687 9.508 0.099 1.00 0.00 N HETATM 192 CA NLE A 12 3.210 10.365 1.171 1.00 0.00 C HETATM 193 C NLE A 12 2.807 9.812 2.540 1.00 0.00 C HETATM 194 O NLE A 12 3.208 10.355 3.576 1.00 0.00 O HETATM 195 CB NLE A 12 2.685 11.810 1.018 1.00 0.00 C HETATM 196 CG NLE A 12 3.673 12.900 1.437 1.00 0.00 C HETATM 197 CD NLE A 12 3.522 13.271 2.907 1.00 0.00 C HETATM 198 CE NLE A 12 4.528 14.336 3.283 1.00 0.00 C HETATM 199 H NLE A 12 2.178 8.710 0.348 1.00 0.00 H HETATM 200 HA NLE A 12 4.288 10.368 1.098 1.00 0.00 H HETATM 201 HB2 NLE A 12 1.791 11.915 1.613 1.00 0.00 H HETATM 202 HB3 NLE A 12 2.432 11.966 -0.021 1.00 0.00 H HETATM 203 HG2 NLE A 12 3.496 13.781 0.837 1.00 0.00 H HETATM 204 HG3 NLE A 12 4.679 12.549 1.270 1.00 0.00 H HETATM 205 HD2 NLE A 12 3.693 12.397 3.518 1.00 0.00 H HETATM 206 HD3 NLE A 12 2.527 13.657 3.080 1.00 0.00 H HETATM 207 HE1 NLE A 12 4.411 14.588 4.327 1.00 0.00 H HETATM 208 HE2 NLE A 12 4.364 15.217 2.680 1.00 0.00 H HETATM 209 HE3 NLE A 12 5.527 13.964 3.113 1.00 0.00 H ATOM 210 N ARG A 13 2.033 8.716 2.544 1.00 0.00 N ATOM 211 CA ARG A 13 1.573 8.120 3.791 1.00 0.00 C ATOM 212 C ARG A 13 1.941 6.653 3.848 1.00 0.00 C ATOM 213 O ARG A 13 1.808 5.931 2.855 1.00 0.00 O ATOM 214 CB ARG A 13 0.063 8.296 3.945 1.00 0.00 C ATOM 215 CG ARG A 13 -0.346 9.679 4.425 1.00 0.00 C ATOM 216 CD ARG A 13 -1.845 9.765 4.656 1.00 0.00 C ATOM 217 NE ARG A 13 -2.258 11.103 5.095 1.00 0.00 N ATOM 218 CZ ARG A 13 -3.531 11.511 5.208 1.00 0.00 C ATOM 219 NH1 ARG A 13 -4.544 10.696 4.918 1.00 0.00 N1+ ATOM 220 NH2 ARG A 13 -3.789 12.746 5.616 1.00 0.00 N ATOM 221 H ARG A 13 1.789 8.281 1.686 1.00 0.00 H ATOM 222 HA ARG A 13 2.068 8.631 4.602 1.00 0.00 H ATOM 223 HB2 ARG A 13 -0.403 8.122 2.988 1.00 0.00 H ATOM 224 HB3 ARG A 13 -0.304 7.567 4.653 1.00 0.00 H ATOM 225 HG2 ARG A 13 0.164 9.893 5.354 1.00 0.00 H ATOM 226 HG3 ARG A 13 -0.061 10.407 3.680 1.00 0.00 H ATOM 227 HD2 ARG A 13 -2.352 9.528 3.732 1.00 0.00 H ATOM 228 HD3 ARG A 13 -2.121 9.046 5.413 1.00 0.00 H ATOM 229 HE ARG A 13 -1.546 11.738 5.320 1.00 0.00 H ATOM 230 HH11 ARG A 13 -4.363 9.763 4.610 1.00 0.00 H ATOM 231 HH12 ARG A 13 -5.486 11.018 5.009 1.00 0.00 H ATOM 232 HH21 ARG A 13 -4.735 13.056 5.703 1.00 0.00 H ATOM 233 HH22 ARG A 13 -3.036 13.367 5.836 1.00 0.00 H ATOM 234 N SER A 14 2.404 6.222 5.020 1.00 0.00 N ATOM 235 CA SER A 14 2.807 4.837 5.229 1.00 0.00 C ATOM 236 C SER A 14 1.642 3.995 5.748 1.00 0.00 C ATOM 237 O SER A 14 1.478 2.844 5.337 1.00 0.00 O ATOM 238 CB SER A 14 3.980 4.765 6.208 1.00 0.00 C ATOM 239 OG SER A 14 5.042 5.610 5.799 1.00 0.00 O ATOM 240 H SER A 14 2.474 6.855 5.765 1.00 0.00 H ATOM 241 HA SER A 14 3.120 4.447 4.268 1.00 0.00 H ATOM 242 HB2 SER A 14 3.649 5.076 7.187 1.00 0.00 H ATOM 243 HB3 SER A 14 4.343 3.749 6.256 1.00 0.00 H ATOM 244 HG SER A 14 5.002 6.434 6.287 1.00 0.00 H HETATM 245 OE1 B3D A 15 0.832 1.807 9.547 1.00 0.00 O HETATM 246 CD B3D A 15 1.037 2.988 9.196 1.00 0.00 C HETATM 247 OE2 B3D A 15 2.170 3.513 9.193 1.00 0.00 O HETATM 248 CG B3D A 15 -0.149 3.827 8.750 1.00 0.00 C HETATM 249 CB B3D A 15 -0.293 3.894 7.214 1.00 0.00 C HETATM 250 N B3D A 15 0.846 4.575 6.657 1.00 0.00 N HETATM 251 CA B3D A 15 -1.592 4.654 6.920 1.00 0.00 C HETATM 252 C B3D A 15 -2.210 4.294 5.597 1.00 0.00 C HETATM 253 O B3D A 15 -2.731 3.180 5.412 1.00 0.00 O HETATM 254 HG3 B3D A 15 -0.021 4.826 9.136 1.00 0.00 H HETATM 255 HG2 B3D A 15 -1.045 3.396 9.172 1.00 0.00 H HETATM 256 HB B3D A 15 -0.312 2.894 6.734 1.00 0.00 H HETATM 257 H B3D A 15 1.046 5.489 6.952 1.00 0.00 H HETATM 258 HA1 B3D A 15 -1.383 5.714 6.917 1.00 0.00 H HETATM 259 HA2 B3D A 15 -2.311 4.440 7.696 1.00 0.00 H ATOM 260 N HIS A 16 -2.118 5.248 4.653 1.00 0.00 N ATOM 261 CA HIS A 16 -2.662 5.092 3.296 1.00 0.00 C ATOM 262 C HIS A 16 -2.038 3.894 2.576 1.00 0.00 C ATOM 263 O HIS A 16 -2.735 3.192 1.848 1.00 0.00 O ATOM 264 CB HIS A 16 -2.442 6.372 2.482 1.00 0.00 C ATOM 265 CG HIS A 16 -3.446 6.578 1.387 1.00 0.00 C ATOM 266 ND1 HIS A 16 -4.515 7.443 1.497 1.00 0.00 N ATOM 267 CD2 HIS A 16 -3.537 6.025 0.154 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.219 7.414 0.380 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.648 6.563 -0.451 1.00 0.00 N ATOM 270 H HIS A 16 -1.667 6.088 4.879 1.00 0.00 H ATOM 271 HA HIS A 16 -3.724 4.919 3.390 1.00 0.00 H ATOM 272 HB2 HIS A 16 -2.497 7.222 3.144 1.00 0.00 H ATOM 273 HB3 HIS A 16 -1.461 6.336 2.031 1.00 0.00 H ATOM 274 HD1 HIS A 16 -4.725 7.995 2.279 1.00 0.00 H ATOM 275 HD2 HIS A 16 -2.862 5.299 -0.276 1.00 0.00 H ATOM 276 HE1 HIS A 16 -6.112 7.990 0.181 1.00 0.00 H ATOM 277 HE2 HIS A 16 -4.915 6.417 -1.383 1.00 0.00 H ATOM 278 N LEU A 17 -0.721 3.684 2.766 1.00 0.00 N ATOM 279 CA LEU A 17 -0.027 2.550 2.165 1.00 0.00 C ATOM 280 C LEU A 17 -0.329 1.246 2.902 1.00 0.00 C ATOM 281 O LEU A 17 -0.405 0.205 2.271 1.00 0.00 O ATOM 282 CB LEU A 17 1.498 2.751 2.113 1.00 0.00 C ATOM 283 CG LEU A 17 2.300 1.524 1.617 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.224 1.362 0.101 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.733 1.603 2.077 1.00 0.00 C ATOM 286 H LEU A 17 -0.208 4.322 3.283 1.00 0.00 H ATOM 287 HA LEU A 17 -0.402 2.460 1.155 1.00 0.00 H ATOM 288 HB2 LEU A 17 1.715 3.589 1.471 1.00 0.00 H ATOM 289 HB3 LEU A 17 1.836 2.988 3.108 1.00 0.00 H ATOM 290 HG LEU A 17 1.866 0.637 2.056 1.00 0.00 H ATOM 291 HD11 LEU A 17 2.543 0.354 -0.177 1.00 0.00 H ATOM 292 HD12 LEU A 17 2.860 2.095 -0.387 1.00 0.00 H ATOM 293 HD13 LEU A 17 1.200 1.504 -0.216 1.00 0.00 H ATOM 294 HD21 LEU A 17 3.759 1.710 3.151 1.00 0.00 H ATOM 295 HD22 LEU A 17 4.213 2.452 1.612 1.00 0.00 H ATOM 296 HD23 LEU A 17 4.246 0.694 1.791 1.00 0.00 H ATOM 297 N SER A 18 -0.443 1.298 4.239 1.00 0.00 N ATOM 298 CA SER A 18 -0.752 0.101 5.038 1.00 0.00 C ATOM 299 C SER A 18 -2.037 -0.556 4.535 1.00 0.00 C ATOM 300 O SER A 18 -2.036 -1.739 4.187 1.00 0.00 O ATOM 301 CB SER A 18 -0.873 0.440 6.527 1.00 0.00 C ATOM 302 OG SER A 18 0.346 0.956 7.031 1.00 0.00 O ATOM 303 H SER A 18 -0.293 2.149 4.692 1.00 0.00 H ATOM 304 HA SER A 18 0.062 -0.598 4.903 1.00 0.00 H ATOM 305 HB2 SER A 18 -1.651 1.174 6.667 1.00 0.00 H ATOM 306 HB3 SER A 18 -1.123 -0.456 7.077 1.00 0.00 H ATOM 307 HG SER A 18 0.775 1.483 6.353 1.00 0.00 H HETATM 308 N B3K A 19 -3.114 0.234 4.459 1.00 0.00 N HETATM 309 CB B3K A 19 -4.371 -0.263 3.968 1.00 0.00 C HETATM 310 CG B3K A 19 -5.456 -0.081 5.051 1.00 0.00 C HETATM 311 CD B3K A 19 -5.265 -0.970 6.275 1.00 0.00 C HETATM 312 CE B3K A 19 -6.355 -0.736 7.308 1.00 0.00 C HETATM 313 CF B3K A 19 -6.161 -1.618 8.532 1.00 0.00 C HETATM 314 NZ B3K A 19 -7.225 -1.397 9.549 1.00 0.00 N HETATM 315 CA B3K A 19 -4.822 0.531 2.739 1.00 0.00 C HETATM 316 C B3K A 19 -4.259 0.027 1.433 1.00 0.00 C HETATM 317 O B3K A 19 -4.698 -1.002 0.896 1.00 0.00 O HETATM 318 H B3K A 19 -3.044 1.178 4.747 1.00 0.00 H HETATM 319 HB B3K A 19 -4.197 -1.326 3.698 1.00 0.00 H HETATM 320 HG2 B3K A 19 -6.422 -0.307 4.622 1.00 0.00 H HETATM 321 HG3 B3K A 19 -5.452 0.947 5.379 1.00 0.00 H HETATM 322 HD2 B3K A 19 -4.306 -0.752 6.720 1.00 0.00 H HETATM 323 HD3 B3K A 19 -5.294 -2.004 5.965 1.00 0.00 H HETATM 324 HE2 B3K A 19 -7.314 -0.958 6.863 1.00 0.00 H HETATM 325 HE3 B3K A 19 -6.329 0.299 7.616 1.00 0.00 H HETATM 326 HF1 B3K A 19 -5.200 -1.393 8.973 1.00 0.00 H HETATM 327 HF2 B3K A 19 -6.181 -2.652 8.222 1.00 0.00 H HETATM 328 HNZ1 B3K A 19 -7.215 -0.407 9.867 1.00 0.00 H HETATM 329 HNZ2 B3K A 19 -7.068 -2.015 10.371 1.00 0.00 H HETATM 330 HA1 B3K A 19 -5.898 0.495 2.672 1.00 0.00 H HETATM 331 HA2 B3K A 19 -4.513 1.559 2.861 1.00 0.00 H HETATM 332 HZ3 B3K A 19 -8.158 -1.611 9.143 1.00 0.00 H ATOM 333 N HIS A 20 -3.214 0.727 0.951 1.00 0.00 N ATOM 334 CA HIS A 20 -2.565 0.443 -0.322 1.00 0.00 C ATOM 335 C HIS A 20 -2.078 -1.009 -0.457 1.00 0.00 C ATOM 336 O HIS A 20 -2.218 -1.636 -1.508 1.00 0.00 O ATOM 337 CB HIS A 20 -1.392 1.372 -0.494 1.00 0.00 C ATOM 338 CG HIS A 20 -0.720 1.148 -1.784 1.00 0.00 C ATOM 339 ND1 HIS A 20 -1.144 1.690 -2.970 1.00 0.00 N ATOM 340 CD2 HIS A 20 0.296 0.322 -2.077 1.00 0.00 C ATOM 341 CE1 HIS A 20 -0.389 1.169 -3.932 1.00 0.00 C ATOM 342 NE2 HIS A 20 0.505 0.347 -3.430 1.00 0.00 N ATOM 343 H HIS A 20 -2.833 1.448 1.499 1.00 0.00 H ATOM 344 HA HIS A 20 -3.247 0.667 -1.105 1.00 0.00 H ATOM 345 HB2 HIS A 20 -1.727 2.400 -0.450 1.00 0.00 H ATOM 346 HB3 HIS A 20 -0.685 1.177 0.292 1.00 0.00 H ATOM 347 HD1 HIS A 20 -1.869 2.338 -3.086 1.00 0.00 H ATOM 348 HD2 HIS A 20 0.814 -0.342 -1.373 1.00 0.00 H ATOM 349 HE1 HIS A 20 -0.552 1.324 -4.980 1.00 0.00 H ATOM 350 N ILE A 21 -1.453 -1.505 0.590 1.00 0.00 N ATOM 351 CA ILE A 21 -0.905 -2.838 0.583 1.00 0.00 C ATOM 352 C ILE A 21 -1.871 -3.857 1.177 1.00 0.00 C ATOM 353 O ILE A 21 -1.804 -5.035 0.844 1.00 0.00 O ATOM 354 CB ILE A 21 0.504 -2.881 1.233 1.00 0.00 C ATOM 355 CG1 ILE A 21 0.496 -2.631 2.753 1.00 0.00 C ATOM 356 CG2 ILE A 21 1.397 -1.904 0.546 1.00 0.00 C ATOM 357 CD1 ILE A 21 0.515 -3.896 3.585 1.00 0.00 C ATOM 358 H ILE A 21 -1.342 -0.955 1.375 1.00 0.00 H ATOM 359 HA ILE A 21 -0.780 -3.091 -0.453 1.00 0.00 H ATOM 360 HB ILE A 21 0.921 -3.817 1.023 1.00 0.00 H ATOM 361 HG12 ILE A 21 1.368 -2.051 3.019 1.00 0.00 H ATOM 362 HG13 ILE A 21 -0.392 -2.074 3.014 1.00 0.00 H ATOM 363 HG21 ILE A 21 1.478 -2.189 -0.490 1.00 0.00 H ATOM 364 HG22 ILE A 21 2.370 -1.921 1.009 1.00 0.00 H ATOM 365 HG23 ILE A 21 0.965 -0.922 0.626 1.00 0.00 H ATOM 366 HD11 ILE A 21 0.507 -3.638 4.634 1.00 0.00 H ATOM 367 HD12 ILE A 21 1.405 -4.462 3.359 1.00 0.00 H ATOM 368 HD13 ILE A 21 -0.358 -4.490 3.355 1.00 0.00 H HETATM 369 N B3K A 22 -2.754 -3.393 2.059 1.00 0.00 N HETATM 370 CB B3K A 22 -3.761 -4.235 2.619 1.00 0.00 C HETATM 371 CG B3K A 22 -3.789 -4.049 4.149 1.00 0.00 C HETATM 372 CD B3K A 22 -3.318 -5.273 4.918 1.00 0.00 C HETATM 373 CE B3K A 22 -3.333 -5.027 6.418 1.00 0.00 C HETATM 374 CF B3K A 22 -2.846 -6.245 7.186 1.00 0.00 C HETATM 375 NZ B3K A 22 -2.842 -6.011 8.657 1.00 0.00 N HETATM 376 CA B3K A 22 -5.144 -3.831 2.079 1.00 0.00 C HETATM 377 C B3K A 22 -5.346 -4.052 0.589 1.00 0.00 C HETATM 378 O B3K A 22 -6.235 -4.821 0.201 1.00 0.00 O HETATM 379 H B3K A 22 -2.698 -2.455 2.351 1.00 0.00 H HETATM 380 HB B3K A 22 -3.503 -5.268 2.308 1.00 0.00 H HETATM 381 HG2 B3K A 22 -4.797 -3.820 4.459 1.00 0.00 H HETATM 382 HG3 B3K A 22 -3.146 -3.222 4.410 1.00 0.00 H HETATM 383 HD2 B3K A 22 -2.311 -5.512 4.611 1.00 0.00 H HETATM 384 HD3 B3K A 22 -3.972 -6.102 4.693 1.00 0.00 H HETATM 385 HE2 B3K A 22 -4.344 -4.800 6.726 1.00 0.00 H HETATM 386 HE3 B3K A 22 -2.690 -4.191 6.644 1.00 0.00 H HETATM 387 HF1 B3K A 22 -1.841 -6.478 6.865 1.00 0.00 H HETATM 388 HF2 B3K A 22 -3.495 -7.079 6.965 1.00 0.00 H HETATM 389 HNZ1 B3K A 22 -3.804 -5.792 8.985 1.00 0.00 H HETATM 390 HNZ2 B3K A 22 -2.219 -5.213 8.891 1.00 0.00 H HETATM 391 HA1 B3K A 22 -5.301 -2.783 2.283 1.00 0.00 H HETATM 392 HA2 B3K A 22 -5.897 -4.403 2.600 1.00 0.00 H HETATM 393 HZ3 B3K A 22 -2.502 -6.859 9.153 1.00 0.00 H ATOM 394 N THR A 23 -4.512 -3.404 -0.262 1.00 0.00 N ATOM 395 CA THR A 23 -4.662 -3.533 -1.718 1.00 0.00 C ATOM 396 C THR A 23 -3.682 -4.547 -2.286 1.00 0.00 C ATOM 397 O THR A 23 -4.073 -5.389 -3.101 1.00 0.00 O ATOM 398 CB THR A 23 -4.532 -2.168 -2.460 1.00 0.00 C ATOM 399 OG1 THR A 23 -5.184 -1.137 -1.710 1.00 0.00 O ATOM 400 CG2 THR A 23 -5.153 -2.234 -3.846 1.00 0.00 C ATOM 401 H THR A 23 -3.762 -2.865 0.098 1.00 0.00 H ATOM 402 HA THR A 23 -5.653 -3.913 -1.892 1.00 0.00 H ATOM 403 HB THR A 23 -3.476 -1.913 -2.570 1.00 0.00 H ATOM 404 HG1 THR A 23 -4.549 -0.715 -1.127 1.00 0.00 H ATOM 405 HG21 THR A 23 -4.966 -1.306 -4.367 1.00 0.00 H ATOM 406 HG22 THR A 23 -6.218 -2.390 -3.755 1.00 0.00 H ATOM 407 HG23 THR A 23 -4.713 -3.053 -4.394 1.00 0.00 H ATOM 408 N HIS A 24 -2.409 -4.470 -1.868 1.00 0.00 N ATOM 409 CA HIS A 24 -1.389 -5.434 -2.326 1.00 0.00 C ATOM 410 C HIS A 24 -1.764 -6.845 -1.954 1.00 0.00 C ATOM 411 O HIS A 24 -1.393 -7.812 -2.626 1.00 0.00 O ATOM 412 CB HIS A 24 -0.023 -5.116 -1.738 1.00 0.00 C ATOM 413 CG HIS A 24 0.773 -4.182 -2.578 1.00 0.00 C ATOM 414 ND1 HIS A 24 1.803 -4.566 -3.423 1.00 0.00 N ATOM 415 CD2 HIS A 24 0.636 -2.853 -2.753 1.00 0.00 C ATOM 416 CE1 HIS A 24 2.213 -3.471 -4.066 1.00 0.00 C ATOM 417 NE2 HIS A 24 1.533 -2.449 -3.705 1.00 0.00 N ATOM 418 H HIS A 24 -2.147 -3.734 -1.268 1.00 0.00 H ATOM 419 HA HIS A 24 -1.357 -5.374 -3.384 1.00 0.00 H ATOM 420 HB2 HIS A 24 -0.168 -4.663 -0.769 1.00 0.00 H ATOM 421 HB3 HIS A 24 0.538 -6.032 -1.624 1.00 0.00 H ATOM 422 HD1 HIS A 24 2.191 -5.462 -3.506 1.00 0.00 H ATOM 423 HD2 HIS A 24 0.035 -2.176 -2.153 1.00 0.00 H ATOM 424 HE1 HIS A 24 3.060 -3.402 -4.732 1.00 0.00 H HETATM 425 N B3Q A 25 -2.504 -6.927 -0.870 1.00 0.00 N HETATM 426 CB B3Q A 25 -3.011 -8.191 -0.374 1.00 0.00 C HETATM 427 CG B3Q A 25 -2.949 -8.229 1.167 1.00 0.00 C HETATM 428 CA B3Q A 25 -4.436 -8.357 -0.953 1.00 0.00 C HETATM 429 C B3Q A 25 -5.528 -8.730 0.044 1.00 0.00 C HETATM 430 O B3Q A 25 -5.589 -9.876 0.502 1.00 0.00 O HETATM 431 HN B3Q A 25 -2.725 -6.079 -0.394 1.00 0.00 H HETATM 432 HB B3Q A 25 -2.377 -8.974 -0.763 1.00 0.00 H HETATM 433 HG B3Q A 25 -3.683 -8.937 1.526 1.00 0.00 H HETATM 434 HGA B3Q A 25 -3.195 -7.253 1.546 1.00 0.00 H HETATM 435 CD B3Q A 25 -1.583 -8.632 1.731 1.00 0.00 C HETATM 436 HA B3Q A 25 -4.702 -7.414 -1.425 1.00 0.00 H HETATM 437 HAA B3Q A 25 -4.405 -9.119 -1.717 1.00 0.00 H HETATM 438 CE B3Q A 25 -0.464 -7.655 1.386 1.00 0.00 C HETATM 439 NF2 B3Q A 25 -0.230 -6.679 2.258 1.00 0.00 N HETATM 440 H8 B3Q A 25 -1.323 -9.604 1.337 1.00 0.00 H HETATM 441 OF1 B3Q A 25 0.186 -7.783 0.348 1.00 0.00 O HETATM 442 H9 B3Q A 25 -1.660 -8.694 2.805 1.00 0.00 H HETATM 443 H11 B3Q A 25 -0.780 -6.640 3.067 1.00 0.00 H HETATM 444 H12 B3Q A 25 0.479 -6.029 2.050 1.00 0.00 H ATOM 445 N ASN A 26 -6.388 -7.758 0.376 1.00 0.00 N ATOM 446 CA ASN A 26 -7.493 -7.982 1.316 1.00 0.00 C ATOM 447 C ASN A 26 -8.777 -8.392 0.586 1.00 0.00 C ATOM 448 O ASN A 26 -9.506 -9.269 1.058 1.00 0.00 O ATOM 449 CB ASN A 26 -7.744 -6.730 2.157 1.00 0.00 C ATOM 450 CG ASN A 26 -7.013 -6.772 3.485 1.00 0.00 C ATOM 451 OD1 ASN A 26 -5.851 -6.382 3.581 1.00 0.00 O ATOM 452 ND2 ASN A 26 -7.696 -7.248 4.520 1.00 0.00 N ATOM 453 H ASN A 26 -6.272 -6.863 -0.016 1.00 0.00 H ATOM 454 HA ASN A 26 -7.201 -8.788 1.972 1.00 0.00 H ATOM 455 HB2 ASN A 26 -7.409 -5.862 1.609 1.00 0.00 H ATOM 456 HB3 ASN A 26 -8.804 -6.640 2.352 1.00 0.00 H ATOM 457 HD21 ASN A 26 -8.620 -7.540 4.371 1.00 0.00 H ATOM 458 HD22 ASN A 26 -7.248 -7.286 5.392 1.00 0.00 H ATOM 459 N LYS A 27 -9.041 -7.753 -0.559 1.00 0.00 N ATOM 460 CA LYS A 27 -10.231 -8.049 -1.362 1.00 0.00 C ATOM 461 C LYS A 27 -9.892 -8.967 -2.537 1.00 0.00 C ATOM 462 O LYS A 27 -10.646 -9.896 -2.839 1.00 0.00 O ATOM 463 CB LYS A 27 -10.873 -6.754 -1.874 1.00 0.00 C ATOM 464 CG LYS A 27 -11.629 -5.980 -0.804 1.00 0.00 C ATOM 465 CD LYS A 27 -12.322 -4.758 -1.386 1.00 0.00 C ATOM 466 CE LYS A 27 -13.122 -4.016 -0.327 1.00 0.00 C ATOM 467 NZ LYS A 27 -13.825 -2.831 -0.891 1.00 0.00 N1+ ATOM 468 H LYS A 27 -8.417 -7.065 -0.872 1.00 0.00 H ATOM 469 HA LYS A 27 -10.937 -8.557 -0.722 1.00 0.00 H ATOM 470 HB2 LYS A 27 -10.099 -6.115 -2.270 1.00 0.00 H ATOM 471 HB3 LYS A 27 -11.565 -6.999 -2.667 1.00 0.00 H ATOM 472 HG2 LYS A 27 -12.373 -6.626 -0.363 1.00 0.00 H ATOM 473 HG3 LYS A 27 -10.932 -5.660 -0.044 1.00 0.00 H ATOM 474 HD2 LYS A 27 -11.576 -4.091 -1.790 1.00 0.00 H ATOM 475 HD3 LYS A 27 -12.990 -5.075 -2.173 1.00 0.00 H ATOM 476 HE2 LYS A 27 -13.853 -4.692 0.091 1.00 0.00 H ATOM 477 HE3 LYS A 27 -12.448 -3.689 0.451 1.00 0.00 H ATOM 478 HZ1 LYS A 27 -13.136 -2.169 -1.301 1.00 0.00 H ATOM 479 HZ2 LYS A 27 -14.357 -2.342 -0.144 1.00 0.00 H ATOM 480 HZ3 LYS A 27 -14.489 -3.129 -1.635 1.00 0.00 H ATOM 481 N LYS A 28 -8.755 -8.697 -3.191 1.00 0.00 N ATOM 482 CA LYS A 28 -8.302 -9.493 -4.335 1.00 0.00 C ATOM 483 C LYS A 28 -6.982 -10.196 -4.018 1.00 0.00 C ATOM 484 O LYS A 28 -5.956 -9.554 -3.789 1.00 0.00 O ATOM 485 CB LYS A 28 -8.148 -8.610 -5.580 1.00 0.00 C ATOM 486 CG LYS A 28 -9.471 -8.191 -6.205 1.00 0.00 C ATOM 487 CD LYS A 28 -9.258 -7.329 -7.440 1.00 0.00 C ATOM 488 CE LYS A 28 -10.577 -6.927 -8.085 1.00 0.00 C ATOM 489 NZ LYS A 28 -11.227 -8.066 -8.797 1.00 0.00 N1+ ATOM 490 H LYS A 28 -8.205 -7.942 -2.895 1.00 0.00 H ATOM 491 HA LYS A 28 -9.054 -10.243 -4.529 1.00 0.00 H ATOM 492 HB2 LYS A 28 -7.607 -7.716 -5.308 1.00 0.00 H ATOM 493 HB3 LYS A 28 -7.581 -9.152 -6.322 1.00 0.00 H ATOM 494 HG2 LYS A 28 -10.021 -9.077 -6.488 1.00 0.00 H ATOM 495 HG3 LYS A 28 -10.040 -7.629 -5.478 1.00 0.00 H ATOM 496 HD2 LYS A 28 -8.723 -6.436 -7.155 1.00 0.00 H ATOM 497 HD3 LYS A 28 -8.673 -7.886 -8.158 1.00 0.00 H ATOM 498 HE2 LYS A 28 -11.245 -6.571 -7.314 1.00 0.00 H ATOM 499 HE3 LYS A 28 -10.390 -6.131 -8.791 1.00 0.00 H ATOM 500 HZ1 LYS A 28 -11.422 -8.839 -8.130 1.00 0.00 H ATOM 501 HZ2 LYS A 28 -10.601 -8.420 -9.548 1.00 0.00 H ATOM 502 HZ3 LYS A 28 -12.122 -7.755 -9.224 1.00 0.00 H HETATM 503 N NH2 A 29 -7.017 -11.524 -3.995 1.00 0.00 N HETATM 504 HN1 NH2 A 29 -7.869 -11.968 -4.188 1.00 0.00 H HETATM 505 HN2 NH2 A 29 -6.189 -12.005 -3.786 1.00 0.00 H TER 506 NH2 A 29 HETATM 507 ZN ZN A 101 1.828 -0.713 -4.358 1.00 0.00 ZN