ATOM 1 N LYS A 1 10.076 1.592 5.178 1.00 0.00 N ATOM 2 CA LYS A 1 8.971 2.140 6.012 1.00 0.00 C ATOM 3 C LYS A 1 8.045 3.032 5.184 1.00 0.00 C ATOM 4 O LYS A 1 6.820 2.926 5.288 1.00 0.00 O ATOM 5 CB LYS A 1 9.538 2.933 7.198 1.00 0.00 C ATOM 6 CG LYS A 1 10.191 2.065 8.265 1.00 0.00 C ATOM 7 CD LYS A 1 10.770 2.908 9.389 1.00 0.00 C ATOM 8 CE LYS A 1 11.437 2.043 10.446 1.00 0.00 C ATOM 9 NZ LYS A 1 12.017 2.860 11.547 1.00 0.00 N1+ ATOM 10 H1 LYS A 1 9.687 1.023 4.399 1.00 0.00 H ATOM 11 H2 LYS A 1 10.695 0.989 5.756 1.00 0.00 H ATOM 12 H3 LYS A 1 10.641 2.368 4.779 1.00 0.00 H ATOM 13 HA LYS A 1 8.395 1.309 6.392 1.00 0.00 H ATOM 14 HB2 LYS A 1 10.277 3.628 6.830 1.00 0.00 H ATOM 15 HB3 LYS A 1 8.735 3.488 7.661 1.00 0.00 H ATOM 16 HG2 LYS A 1 9.451 1.395 8.673 1.00 0.00 H ATOM 17 HG3 LYS A 1 10.987 1.493 7.810 1.00 0.00 H ATOM 18 HD2 LYS A 1 11.503 3.586 8.979 1.00 0.00 H ATOM 19 HD3 LYS A 1 9.971 3.472 9.850 1.00 0.00 H ATOM 20 HE2 LYS A 1 10.701 1.370 10.860 1.00 0.00 H ATOM 21 HE3 LYS A 1 12.225 1.471 9.979 1.00 0.00 H ATOM 22 HZ1 LYS A 1 12.463 2.241 12.255 1.00 0.00 H ATOM 23 HZ2 LYS A 1 11.271 3.417 12.012 1.00 0.00 H ATOM 24 HZ3 LYS A 1 12.735 3.511 11.169 1.00 0.00 H ATOM 25 N TYR A 2 8.643 3.904 4.361 1.00 0.00 N ATOM 26 CA TYR A 2 7.888 4.824 3.506 1.00 0.00 C ATOM 27 C TYR A 2 7.739 4.255 2.084 1.00 0.00 C ATOM 28 O TYR A 2 8.610 3.495 1.650 1.00 0.00 O ATOM 29 CB TYR A 2 8.589 6.186 3.456 1.00 0.00 C ATOM 30 CG TYR A 2 8.446 6.994 4.727 1.00 0.00 C ATOM 31 CD1 TYR A 2 7.384 7.873 4.898 1.00 0.00 C ATOM 32 CD2 TYR A 2 9.373 6.877 5.756 1.00 0.00 C ATOM 33 CE1 TYR A 2 7.250 8.614 6.058 1.00 0.00 C ATOM 34 CE2 TYR A 2 9.245 7.613 6.918 1.00 0.00 C ATOM 35 CZ TYR A 2 8.182 8.480 7.064 1.00 0.00 C ATOM 36 OH TYR A 2 8.053 9.214 8.219 1.00 0.00 O ATOM 37 H TYR A 2 9.622 3.929 4.331 1.00 0.00 H ATOM 38 HA TYR A 2 6.908 4.948 3.940 1.00 0.00 H ATOM 39 HB2 TYR A 2 9.644 6.031 3.281 1.00 0.00 H ATOM 40 HB3 TYR A 2 8.179 6.767 2.643 1.00 0.00 H ATOM 41 HD1 TYR A 2 6.654 7.975 4.108 1.00 0.00 H ATOM 42 HD2 TYR A 2 10.205 6.198 5.638 1.00 0.00 H ATOM 43 HE1 TYR A 2 6.417 9.291 6.171 1.00 0.00 H ATOM 44 HE2 TYR A 2 9.976 7.509 7.705 1.00 0.00 H ATOM 45 HH TYR A 2 8.904 9.589 8.459 1.00 0.00 H HETATM 46 N MAA A 3 6.622 4.594 1.325 1.00 0.00 N HETATM 47 CM MAA A 3 5.556 5.454 1.902 1.00 0.00 C HETATM 48 CA MAA A 3 6.404 4.097 -0.068 1.00 0.00 C HETATM 49 CB MAA A 3 7.616 4.306 -0.958 1.00 0.00 C HETATM 50 C MAA A 3 6.069 2.626 -0.111 1.00 0.00 C HETATM 51 O MAA A 3 6.351 1.865 0.818 1.00 0.00 O HETATM 52 HM1 MAA A 3 5.005 4.894 2.644 1.00 0.00 H HETATM 53 HM2 MAA A 3 4.881 5.771 1.121 1.00 0.00 H HETATM 54 HM3 MAA A 3 5.998 6.322 2.366 1.00 0.00 H HETATM 55 HA MAA A 3 5.573 4.626 -0.544 1.00 0.00 H HETATM 56 HB1 MAA A 3 8.493 3.924 -0.463 1.00 0.00 H HETATM 57 HB2 MAA A 3 7.739 5.355 -1.168 1.00 0.00 H HETATM 58 HB3 MAA A 3 7.455 3.757 -1.878 1.00 0.00 H ATOM 59 N CYS A 4 5.509 2.260 -1.249 1.00 0.00 N ATOM 60 CA CYS A 4 5.082 0.917 -1.563 1.00 0.00 C ATOM 61 C CYS A 4 6.225 -0.071 -1.711 1.00 0.00 C ATOM 62 O CYS A 4 7.306 0.259 -2.206 1.00 0.00 O ATOM 63 CB CYS A 4 4.272 1.002 -2.814 1.00 0.00 C ATOM 64 SG CYS A 4 3.939 -0.580 -3.566 1.00 0.00 S ATOM 65 H CYS A 4 5.373 2.950 -1.931 1.00 0.00 H ATOM 66 HA CYS A 4 4.454 0.544 -0.783 1.00 0.00 H ATOM 67 HB2 CYS A 4 3.324 1.486 -2.596 1.00 0.00 H ATOM 68 HB3 CYS A 4 4.813 1.593 -3.529 1.00 0.00 H ATOM 69 N PRO A 5 5.955 -1.314 -1.265 1.00 0.00 N ATOM 70 CA PRO A 5 6.923 -2.414 -1.286 1.00 0.00 C ATOM 71 C PRO A 5 6.960 -3.256 -2.572 1.00 0.00 C ATOM 72 O PRO A 5 7.972 -3.913 -2.841 1.00 0.00 O ATOM 73 CB PRO A 5 6.384 -3.233 -0.125 1.00 0.00 C ATOM 74 CG PRO A 5 4.918 -3.184 -0.341 1.00 0.00 C ATOM 75 CD PRO A 5 4.666 -1.748 -0.631 1.00 0.00 C ATOM 76 HA PRO A 5 7.912 -2.073 -1.055 1.00 0.00 H ATOM 77 HB2 PRO A 5 6.766 -4.242 -0.154 1.00 0.00 H ATOM 78 HB3 PRO A 5 6.625 -2.743 0.803 1.00 0.00 H ATOM 79 HG2 PRO A 5 4.650 -3.788 -1.199 1.00 0.00 H ATOM 80 HG3 PRO A 5 4.385 -3.489 0.542 1.00 0.00 H ATOM 81 HD2 PRO A 5 3.835 -1.637 -1.315 1.00 0.00 H ATOM 82 HD3 PRO A 5 4.486 -1.208 0.286 1.00 0.00 H ATOM 83 N GLU A 6 5.876 -3.239 -3.360 1.00 0.00 N ATOM 84 CA GLU A 6 5.840 -4.074 -4.585 1.00 0.00 C ATOM 85 C GLU A 6 5.473 -3.284 -5.840 1.00 0.00 C ATOM 86 O GLU A 6 5.749 -3.743 -6.953 1.00 0.00 O ATOM 87 CB GLU A 6 4.920 -5.313 -4.453 1.00 0.00 C ATOM 88 CG GLU A 6 4.664 -5.786 -3.026 1.00 0.00 C ATOM 89 CD GLU A 6 4.278 -7.251 -2.960 1.00 0.00 C ATOM 90 OE1 GLU A 6 5.178 -8.094 -2.766 1.00 0.00 O ATOM 91 OE2 GLU A 6 3.075 -7.555 -3.103 1.00 0.00 O1- ATOM 92 H GLU A 6 5.119 -2.631 -3.136 1.00 0.00 H ATOM 93 HA GLU A 6 6.843 -4.436 -4.723 1.00 0.00 H ATOM 94 HB2 GLU A 6 3.971 -5.094 -4.908 1.00 0.00 H ATOM 95 HB3 GLU A 6 5.375 -6.130 -4.995 1.00 0.00 H ATOM 96 HG2 GLU A 6 5.558 -5.635 -2.441 1.00 0.00 H ATOM 97 HG3 GLU A 6 3.858 -5.200 -2.611 1.00 0.00 H ATOM 98 N CYS A 7 4.858 -2.109 -5.672 1.00 0.00 N ATOM 99 CA CYS A 7 4.500 -1.274 -6.830 1.00 0.00 C ATOM 100 C CYS A 7 4.769 0.222 -6.577 1.00 0.00 C ATOM 101 O CYS A 7 4.147 0.822 -5.711 1.00 0.00 O ATOM 102 CB CYS A 7 3.067 -1.496 -7.355 1.00 0.00 C ATOM 103 SG CYS A 7 1.738 -0.545 -6.565 1.00 0.00 S ATOM 104 H CYS A 7 4.689 -1.787 -4.757 1.00 0.00 H ATOM 105 HA CYS A 7 5.166 -1.593 -7.602 1.00 0.00 H ATOM 106 HB2 CYS A 7 3.053 -1.213 -8.392 1.00 0.00 H ATOM 107 HB3 CYS A 7 2.821 -2.540 -7.269 1.00 0.00 H ATOM 108 N PRO A 8 5.695 0.843 -7.369 1.00 0.00 N ATOM 109 CA PRO A 8 6.091 2.276 -7.262 1.00 0.00 C ATOM 110 C PRO A 8 4.929 3.287 -7.349 1.00 0.00 C ATOM 111 O PRO A 8 5.021 4.311 -8.041 1.00 0.00 O ATOM 112 CB PRO A 8 7.054 2.461 -8.445 1.00 0.00 C ATOM 113 CG PRO A 8 7.575 1.104 -8.735 1.00 0.00 C ATOM 114 CD PRO A 8 6.448 0.165 -8.424 1.00 0.00 C ATOM 115 HA PRO A 8 6.629 2.452 -6.343 1.00 0.00 H ATOM 116 HB2 PRO A 8 6.517 2.861 -9.296 1.00 0.00 H ATOM 117 HB3 PRO A 8 7.862 3.119 -8.169 1.00 0.00 H ATOM 118 HG2 PRO A 8 7.855 1.033 -9.779 1.00 0.00 H ATOM 119 HG3 PRO A 8 8.420 0.888 -8.100 1.00 0.00 H ATOM 120 HD2 PRO A 8 5.819 0.019 -9.281 1.00 0.00 H ATOM 121 HD3 PRO A 8 6.826 -0.776 -8.060 1.00 0.00 H ATOM 122 N LYS A 9 3.845 2.997 -6.620 1.00 0.00 N ATOM 123 CA LYS A 9 2.681 3.866 -6.537 1.00 0.00 C ATOM 124 C LYS A 9 2.961 5.122 -5.694 1.00 0.00 C ATOM 125 O LYS A 9 2.463 6.190 -6.046 1.00 0.00 O ATOM 126 CB LYS A 9 1.460 3.056 -6.073 1.00 0.00 C ATOM 127 CG LYS A 9 0.136 3.532 -6.675 1.00 0.00 C ATOM 128 CD LYS A 9 -0.147 2.865 -8.017 1.00 0.00 C ATOM 129 CE LYS A 9 -1.458 3.350 -8.615 1.00 0.00 C ATOM 130 NZ LYS A 9 -1.735 2.715 -9.933 1.00 0.00 N1+ ATOM 131 H LYS A 9 3.818 2.148 -6.133 1.00 0.00 H ATOM 132 HA LYS A 9 2.493 4.211 -7.477 1.00 0.00 H ATOM 133 HB2 LYS A 9 1.605 2.025 -6.365 1.00 0.00 H ATOM 134 HB3 LYS A 9 1.391 3.101 -5.000 1.00 0.00 H ATOM 135 HG2 LYS A 9 -0.670 3.296 -5.997 1.00 0.00 H ATOM 136 HG3 LYS A 9 0.183 4.601 -6.822 1.00 0.00 H ATOM 137 HD2 LYS A 9 0.656 3.099 -8.700 1.00 0.00 H ATOM 138 HD3 LYS A 9 -0.200 1.796 -7.872 1.00 0.00 H ATOM 139 HE2 LYS A 9 -2.261 3.108 -7.933 1.00 0.00 H ATOM 140 HE3 LYS A 9 -1.406 4.421 -8.744 1.00 0.00 H ATOM 141 HZ1 LYS A 9 -1.793 1.682 -9.828 1.00 0.00 H ATOM 142 HZ2 LYS A 9 -0.976 2.942 -10.606 1.00 0.00 H ATOM 143 HZ3 LYS A 9 -2.637 3.065 -10.315 1.00 0.00 H HETATM 144 N MMO A 10 3.766 5.007 -4.586 1.00 0.00 N HETATM 145 CA MMO A 10 4.174 6.112 -3.691 1.00 0.00 C HETATM 146 C MMO A 10 3.260 7.341 -3.680 1.00 0.00 C HETATM 147 O MMO A 10 2.989 7.952 -4.716 1.00 0.00 O HETATM 148 CB MMO A 10 5.610 6.473 -4.123 1.00 0.00 C HETATM 149 CG MMO A 10 6.445 7.157 -3.051 1.00 0.00 C HETATM 150 CD MMO A 10 7.923 6.901 -3.279 1.00 0.00 C HETATM 151 NE MMO A 10 8.754 7.476 -2.215 1.00 0.00 N HETATM 152 CZ MMO A 10 10.092 7.394 -2.161 1.00 0.00 C HETATM 153 NH2 MMO A 10 10.742 7.952 -1.148 1.00 0.00 N HETATM 154 NH1 MMO A 10 10.783 6.760 -3.108 1.00 0.00 N HETATM 155 CN MMO A 10 4.208 3.675 -4.158 1.00 0.00 C HETATM 156 HA MMO A 10 4.189 5.702 -2.713 1.00 0.00 H HETATM 157 HCB1 MMO A 10 5.563 7.122 -4.984 1.00 0.00 H HETATM 158 HCB2 MMO A 10 6.117 5.563 -4.397 1.00 0.00 H HETATM 159 HCG1 MMO A 10 6.164 6.770 -2.083 1.00 0.00 H HETATM 160 HCG2 MMO A 10 6.262 8.221 -3.085 1.00 0.00 H HETATM 161 HCD1 MMO A 10 8.209 7.339 -4.223 1.00 0.00 H HETATM 162 HCD2 MMO A 10 8.086 5.832 -3.317 1.00 0.00 H HETATM 163 HH21 MMO A 10 10.234 8.430 -0.431 1.00 0.00 H HETATM 164 HH22 MMO A 10 11.738 7.895 -1.102 1.00 0.00 H HETATM 165 HH11 MMO A 10 11.781 6.710 -3.050 1.00 0.00 H HETATM 166 HC1 MMO A 10 5.261 3.559 -4.367 1.00 0.00 H HETATM 167 HC2 MMO A 10 3.647 2.932 -4.706 1.00 0.00 H HETATM 168 HC3 MMO A 10 4.032 3.558 -3.101 1.00 0.00 H HETATM 169 HE MMO A 10 8.291 7.951 -1.495 1.00 0.00 H HETATM 170 HH12 MMO A 10 10.305 6.336 -3.876 1.00 0.00 H ATOM 171 N PHE A 11 2.845 7.719 -2.470 1.00 0.00 N ATOM 172 CA PHE A 11 1.877 8.790 -2.280 1.00 0.00 C ATOM 173 C PHE A 11 2.381 9.842 -1.299 1.00 0.00 C ATOM 174 O PHE A 11 2.855 10.902 -1.720 1.00 0.00 O ATOM 175 CB PHE A 11 0.551 8.133 -1.810 1.00 0.00 C ATOM 176 CG PHE A 11 0.561 6.634 -2.039 1.00 0.00 C ATOM 177 CD1 PHE A 11 0.682 5.734 -0.987 1.00 0.00 C ATOM 178 CD2 PHE A 11 0.512 6.129 -3.332 1.00 0.00 C ATOM 179 CE1 PHE A 11 0.751 4.384 -1.231 1.00 0.00 C ATOM 180 CE2 PHE A 11 0.587 4.788 -3.568 1.00 0.00 C ATOM 181 CZ PHE A 11 0.712 3.914 -2.537 1.00 0.00 C ATOM 182 H PHE A 11 3.209 7.272 -1.679 1.00 0.00 H ATOM 183 HA PHE A 11 1.713 9.260 -3.238 1.00 0.00 H ATOM 184 HB2 PHE A 11 0.414 8.315 -0.754 1.00 0.00 H ATOM 185 HB3 PHE A 11 -0.278 8.553 -2.361 1.00 0.00 H ATOM 186 HD1 PHE A 11 0.748 6.089 0.028 1.00 0.00 H ATOM 187 HD2 PHE A 11 0.422 6.806 -4.159 1.00 0.00 H ATOM 188 HE1 PHE A 11 0.830 3.705 -0.401 1.00 0.00 H ATOM 189 HE2 PHE A 11 0.592 4.414 -4.584 1.00 0.00 H ATOM 190 HZ PHE A 11 0.771 2.857 -2.759 1.00 0.00 H HETATM 191 N NLE A 12 2.283 9.551 0.010 1.00 0.00 N HETATM 192 CA NLE A 12 2.715 10.486 1.056 1.00 0.00 C HETATM 193 C NLE A 12 2.654 9.849 2.447 1.00 0.00 C HETATM 194 O NLE A 12 3.251 10.379 3.389 1.00 0.00 O HETATM 195 CB NLE A 12 1.831 11.744 1.037 1.00 0.00 C HETATM 196 CG NLE A 12 2.466 12.974 1.678 1.00 0.00 C HETATM 197 CD NLE A 12 1.423 13.821 2.383 1.00 0.00 C HETATM 198 CE NLE A 12 2.070 15.034 3.015 1.00 0.00 C HETATM 199 H NLE A 12 1.910 8.685 0.275 1.00 0.00 H HETATM 200 HA NLE A 12 3.736 10.771 0.846 1.00 0.00 H HETATM 201 HB2 NLE A 12 0.913 11.525 1.562 1.00 0.00 H HETATM 202 HB3 NLE A 12 1.596 11.979 0.009 1.00 0.00 H HETATM 203 HG2 NLE A 12 2.943 13.567 0.910 1.00 0.00 H HETATM 204 HG3 NLE A 12 3.203 12.653 2.399 1.00 0.00 H HETATM 205 HD2 NLE A 12 0.950 13.233 3.156 1.00 0.00 H HETATM 206 HD3 NLE A 12 0.686 14.153 1.666 1.00 0.00 H HETATM 207 HE1 NLE A 12 2.811 14.713 3.733 1.00 0.00 H HETATM 208 HE2 NLE A 12 1.317 15.625 3.515 1.00 0.00 H HETATM 209 HE3 NLE A 12 2.545 15.628 2.249 1.00 0.00 H ATOM 210 N ARG A 13 1.941 8.719 2.582 1.00 0.00 N ATOM 211 CA ARG A 13 1.805 8.072 3.884 1.00 0.00 C ATOM 212 C ARG A 13 2.075 6.583 3.795 1.00 0.00 C ATOM 213 O ARG A 13 1.796 5.949 2.774 1.00 0.00 O ATOM 214 CB ARG A 13 0.414 8.329 4.473 1.00 0.00 C ATOM 215 CG ARG A 13 0.278 9.699 5.121 1.00 0.00 C ATOM 216 CD ARG A 13 -1.117 9.922 5.681 1.00 0.00 C ATOM 217 NE ARG A 13 -1.213 11.176 6.435 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.257 11.531 7.199 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.318 10.737 7.328 1.00 0.00 N1+ ATOM 220 NH2 ARG A 13 -2.234 12.693 7.837 1.00 0.00 N ATOM 221 H ARG A 13 1.524 8.298 1.785 1.00 0.00 H ATOM 222 HA ARG A 13 2.541 8.511 4.540 1.00 0.00 H ATOM 223 HB2 ARG A 13 -0.318 8.255 3.682 1.00 0.00 H ATOM 224 HB3 ARG A 13 0.204 7.578 5.219 1.00 0.00 H ATOM 225 HG2 ARG A 13 0.994 9.777 5.926 1.00 0.00 H ATOM 226 HG3 ARG A 13 0.485 10.458 4.380 1.00 0.00 H ATOM 227 HD2 ARG A 13 -1.818 9.954 4.860 1.00 0.00 H ATOM 228 HD3 ARG A 13 -1.365 9.099 6.335 1.00 0.00 H ATOM 229 HE ARG A 13 -0.455 11.794 6.371 1.00 0.00 H ATOM 230 HH11 ARG A 13 -3.346 9.859 6.851 1.00 0.00 H ATOM 231 HH12 ARG A 13 -4.087 11.020 7.902 1.00 0.00 H ATOM 232 HH21 ARG A 13 -3.009 12.964 8.408 1.00 0.00 H ATOM 233 HH22 ARG A 13 -1.443 13.299 7.748 1.00 0.00 H ATOM 234 N SER A 14 2.622 6.038 4.884 1.00 0.00 N ATOM 235 CA SER A 14 2.950 4.620 4.961 1.00 0.00 C ATOM 236 C SER A 14 1.783 3.802 5.521 1.00 0.00 C ATOM 237 O SER A 14 1.579 2.656 5.115 1.00 0.00 O ATOM 238 CB SER A 14 4.200 4.411 5.820 1.00 0.00 C ATOM 239 OG SER A 14 4.048 4.998 7.102 1.00 0.00 O ATOM 240 H SER A 14 2.809 6.610 5.657 1.00 0.00 H ATOM 241 HA SER A 14 3.156 4.288 3.952 1.00 0.00 H ATOM 242 HB2 SER A 14 4.376 3.353 5.943 1.00 0.00 H ATOM 243 HB3 SER A 14 5.050 4.862 5.330 1.00 0.00 H ATOM 244 HG SER A 14 3.242 4.673 7.510 1.00 0.00 H HETATM 245 OE1 B3D A 15 1.010 1.426 9.108 1.00 0.00 O HETATM 246 CD B3D A 15 1.264 2.631 8.900 1.00 0.00 C HETATM 247 OE2 B3D A 15 2.417 3.106 8.952 1.00 0.00 O HETATM 248 CG B3D A 15 0.112 3.563 8.566 1.00 0.00 C HETATM 249 CB B3D A 15 -0.106 3.722 7.048 1.00 0.00 C HETATM 250 N B3D A 15 1.031 4.390 6.463 1.00 0.00 N HETATM 251 CA B3D A 15 -1.393 4.533 6.856 1.00 0.00 C HETATM 252 C B3D A 15 -2.105 4.190 5.580 1.00 0.00 C HETATM 253 O B3D A 15 -2.647 3.080 5.420 1.00 0.00 O HETATM 254 HG3 B3D A 15 0.324 4.531 8.996 1.00 0.00 H HETATM 255 HG2 B3D A 15 -0.787 3.165 9.015 1.00 0.00 H HETATM 256 HB B3D A 15 -0.188 2.753 6.518 1.00 0.00 H HETATM 257 H B3D A 15 1.259 5.295 6.760 1.00 0.00 H HETATM 258 HA1 B3D A 15 -1.147 5.585 6.837 1.00 0.00 H HETATM 259 HA2 B3D A 15 -2.064 4.341 7.680 1.00 0.00 H ATOM 260 N HIS A 16 -2.074 5.153 4.641 1.00 0.00 N ATOM 261 CA HIS A 16 -2.695 5.003 3.321 1.00 0.00 C ATOM 262 C HIS A 16 -2.077 3.836 2.553 1.00 0.00 C ATOM 263 O HIS A 16 -2.765 3.178 1.773 1.00 0.00 O ATOM 264 CB HIS A 16 -2.559 6.296 2.512 1.00 0.00 C ATOM 265 CG HIS A 16 -3.479 7.393 2.963 1.00 0.00 C ATOM 266 ND1 HIS A 16 -4.476 7.912 2.164 1.00 0.00 N ATOM 267 CD2 HIS A 16 -3.548 8.074 4.134 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.115 8.865 2.821 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.571 8.982 4.018 1.00 0.00 N ATOM 270 H HIS A 16 -1.617 5.995 4.849 1.00 0.00 H ATOM 271 HA HIS A 16 -3.744 4.796 3.474 1.00 0.00 H ATOM 272 HB2 HIS A 16 -1.546 6.658 2.594 1.00 0.00 H ATOM 273 HB3 HIS A 16 -2.776 6.086 1.474 1.00 0.00 H ATOM 274 HD1 HIS A 16 -4.684 7.627 1.249 1.00 0.00 H ATOM 275 HD2 HIS A 16 -2.917 7.926 4.999 1.00 0.00 H ATOM 276 HE1 HIS A 16 -5.942 9.446 2.444 1.00 0.00 H ATOM 277 HE2 HIS A 16 -4.897 9.568 4.732 1.00 0.00 H ATOM 278 N LEU A 17 -0.767 3.601 2.768 1.00 0.00 N ATOM 279 CA LEU A 17 -0.069 2.489 2.139 1.00 0.00 C ATOM 280 C LEU A 17 -0.358 1.173 2.855 1.00 0.00 C ATOM 281 O LEU A 17 -0.410 0.142 2.207 1.00 0.00 O ATOM 282 CB LEU A 17 1.452 2.697 2.086 1.00 0.00 C ATOM 283 CG LEU A 17 2.250 1.485 1.556 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.159 1.364 0.041 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.689 1.551 2.004 1.00 0.00 C ATOM 286 H LEU A 17 -0.262 4.212 3.324 1.00 0.00 H ATOM 287 HA LEU A 17 -0.450 2.418 1.131 1.00 0.00 H ATOM 288 HB2 LEU A 17 1.666 3.553 1.468 1.00 0.00 H ATOM 289 HB3 LEU A 17 1.791 2.904 3.087 1.00 0.00 H ATOM 290 HG LEU A 17 1.821 0.586 1.975 1.00 0.00 H ATOM 291 HD11 LEU A 17 2.789 2.109 -0.433 1.00 0.00 H ATOM 292 HD12 LEU A 17 1.131 1.515 -0.261 1.00 0.00 H ATOM 293 HD13 LEU A 17 2.472 0.363 -0.267 1.00 0.00 H ATOM 294 HD21 LEU A 17 4.200 0.653 1.686 1.00 0.00 H ATOM 295 HD22 LEU A 17 3.725 1.627 3.080 1.00 0.00 H ATOM 296 HD23 LEU A 17 4.164 2.414 1.560 1.00 0.00 H ATOM 297 N SER A 18 -0.473 1.199 4.193 1.00 0.00 N ATOM 298 CA SER A 18 -0.779 -0.019 4.960 1.00 0.00 C ATOM 299 C SER A 18 -2.080 -0.641 4.442 1.00 0.00 C ATOM 300 O SER A 18 -2.086 -1.793 3.998 1.00 0.00 O ATOM 301 CB SER A 18 -0.869 0.278 6.467 1.00 0.00 C ATOM 302 OG SER A 18 -1.169 -0.893 7.211 1.00 0.00 O ATOM 303 H SER A 18 -0.317 2.042 4.668 1.00 0.00 H ATOM 304 HA SER A 18 0.025 -0.720 4.789 1.00 0.00 H ATOM 305 HB2 SER A 18 0.078 0.665 6.810 1.00 0.00 H ATOM 306 HB3 SER A 18 -1.645 1.010 6.643 1.00 0.00 H ATOM 307 HG SER A 18 -0.552 -0.975 7.942 1.00 0.00 H HETATM 308 N B3K A 19 -3.157 0.151 4.447 1.00 0.00 N HETATM 309 CB B3K A 19 -4.424 -0.319 3.954 1.00 0.00 C HETATM 310 CG B3K A 19 -5.506 -0.119 5.039 1.00 0.00 C HETATM 311 CD B3K A 19 -5.334 -1.016 6.258 1.00 0.00 C HETATM 312 CE B3K A 19 -6.430 -0.777 7.283 1.00 0.00 C HETATM 313 CF B3K A 19 -6.273 -1.687 8.490 1.00 0.00 C HETATM 314 NZ B3K A 19 -7.351 -1.469 9.494 1.00 0.00 N HETATM 315 CA B3K A 19 -4.858 0.488 2.729 1.00 0.00 C HETATM 316 C B3K A 19 -4.295 -0.016 1.421 1.00 0.00 C HETATM 317 O B3K A 19 -4.736 -1.044 0.884 1.00 0.00 O HETATM 318 H B3K A 19 -3.080 1.076 4.792 1.00 0.00 H HETATM 319 HB B3K A 19 -4.270 -1.385 3.681 1.00 0.00 H HETATM 320 HG2 B3K A 19 -6.475 -0.321 4.609 1.00 0.00 H HETATM 321 HG3 B3K A 19 -5.479 0.909 5.371 1.00 0.00 H HETATM 322 HD2 B3K A 19 -4.376 -0.809 6.713 1.00 0.00 H HETATM 323 HD3 B3K A 19 -5.370 -2.047 5.942 1.00 0.00 H HETATM 324 HE2 B3K A 19 -7.389 -0.966 6.822 1.00 0.00 H HETATM 325 HE3 B3K A 19 -6.384 0.251 7.612 1.00 0.00 H HETATM 326 HF1 B3K A 19 -5.317 -1.489 8.952 1.00 0.00 H HETATM 327 HF2 B3K A 19 -6.306 -2.713 8.158 1.00 0.00 H HETATM 328 HNZ1 B3K A 19 -7.330 -0.486 9.834 1.00 0.00 H HETATM 329 HNZ2 B3K A 19 -7.219 -2.106 10.305 1.00 0.00 H HETATM 330 HA1 B3K A 19 -5.934 0.466 2.656 1.00 0.00 H HETATM 331 HA2 B3K A 19 -4.538 1.511 2.858 1.00 0.00 H HETATM 332 HZ3 B3K A 19 -8.280 -1.657 9.067 1.00 0.00 H ATOM 333 N HIS A 20 -3.250 0.684 0.941 1.00 0.00 N ATOM 334 CA HIS A 20 -2.604 0.397 -0.334 1.00 0.00 C ATOM 335 C HIS A 20 -2.097 -1.050 -0.469 1.00 0.00 C ATOM 336 O HIS A 20 -2.197 -1.662 -1.532 1.00 0.00 O ATOM 337 CB HIS A 20 -1.446 1.340 -0.524 1.00 0.00 C ATOM 338 CG HIS A 20 -0.774 1.111 -1.816 1.00 0.00 C ATOM 339 ND1 HIS A 20 -1.186 1.649 -3.009 1.00 0.00 N ATOM 340 CD2 HIS A 20 0.252 0.294 -2.096 1.00 0.00 C ATOM 341 CE1 HIS A 20 -0.410 1.136 -3.960 1.00 0.00 C ATOM 342 NE2 HIS A 20 0.481 0.321 -3.442 1.00 0.00 N ATOM 343 H HIS A 20 -2.869 1.406 1.488 1.00 0.00 H ATOM 344 HA HIS A 20 -3.294 0.609 -1.111 1.00 0.00 H ATOM 345 HB2 HIS A 20 -1.796 2.363 -0.490 1.00 0.00 H ATOM 346 HB3 HIS A 20 -0.735 1.165 0.261 1.00 0.00 H ATOM 347 HD1 HIS A 20 -1.916 2.291 -3.136 1.00 0.00 H ATOM 348 HD2 HIS A 20 0.769 -0.358 -1.387 1.00 0.00 H ATOM 349 HE1 HIS A 20 -0.543 1.302 -5.012 1.00 0.00 H ATOM 350 N ILE A 21 -1.503 -1.559 0.590 1.00 0.00 N ATOM 351 CA ILE A 21 -0.939 -2.888 0.575 1.00 0.00 C ATOM 352 C ILE A 21 -1.870 -3.920 1.208 1.00 0.00 C ATOM 353 O ILE A 21 -1.655 -5.123 1.061 1.00 0.00 O ATOM 354 CB ILE A 21 0.494 -2.907 1.176 1.00 0.00 C ATOM 355 CG1 ILE A 21 0.527 -2.705 2.703 1.00 0.00 C ATOM 356 CG2 ILE A 21 1.348 -1.881 0.493 1.00 0.00 C ATOM 357 CD1 ILE A 21 0.629 -3.996 3.487 1.00 0.00 C ATOM 358 H ILE A 21 -1.426 -1.023 1.391 1.00 0.00 H ATOM 359 HA ILE A 21 -0.846 -3.146 -0.463 1.00 0.00 H ATOM 360 HB ILE A 21 0.927 -3.829 0.927 1.00 0.00 H ATOM 361 HG12 ILE A 21 1.379 -2.095 2.960 1.00 0.00 H ATOM 362 HG13 ILE A 21 -0.377 -2.200 3.011 1.00 0.00 H ATOM 363 HG21 ILE A 21 0.845 -0.932 0.529 1.00 0.00 H ATOM 364 HG22 ILE A 21 1.496 -2.184 -0.535 1.00 0.00 H ATOM 365 HG23 ILE A 21 2.300 -1.812 0.992 1.00 0.00 H ATOM 366 HD11 ILE A 21 1.537 -4.513 3.212 1.00 0.00 H ATOM 367 HD12 ILE A 21 -0.223 -4.622 3.264 1.00 0.00 H ATOM 368 HD13 ILE A 21 0.647 -3.776 4.544 1.00 0.00 H HETATM 369 N B3K A 22 -2.865 -3.435 1.951 1.00 0.00 N HETATM 370 CB B3K A 22 -3.863 -4.281 2.519 1.00 0.00 C HETATM 371 CG B3K A 22 -3.897 -4.075 4.046 1.00 0.00 C HETATM 372 CD B3K A 22 -3.598 -5.339 4.837 1.00 0.00 C HETATM 373 CE B3K A 22 -3.624 -5.079 6.336 1.00 0.00 C HETATM 374 CF B3K A 22 -3.237 -6.316 7.132 1.00 0.00 C HETATM 375 NZ B3K A 22 -4.309 -7.352 7.124 1.00 0.00 N HETATM 376 CA B3K A 22 -5.251 -3.896 1.976 1.00 0.00 C HETATM 377 C B3K A 22 -5.430 -4.066 0.473 1.00 0.00 C HETATM 378 O B3K A 22 -6.333 -4.805 0.044 1.00 0.00 O HETATM 379 H B3K A 22 -2.890 -2.471 2.149 1.00 0.00 H HETATM 380 HB B3K A 22 -3.596 -5.319 2.221 1.00 0.00 H HETATM 381 HG2 B3K A 22 -4.877 -3.722 4.330 1.00 0.00 H HETATM 382 HG3 B3K A 22 -3.164 -3.329 4.312 1.00 0.00 H HETATM 383 HD2 B3K A 22 -2.619 -5.700 4.561 1.00 0.00 H HETATM 384 HD3 B3K A 22 -4.340 -6.085 4.598 1.00 0.00 H HETATM 385 HE2 B3K A 22 -4.622 -4.777 6.620 1.00 0.00 H HETATM 386 HE3 B3K A 22 -2.929 -4.285 6.565 1.00 0.00 H HETATM 387 HF1 B3K A 22 -3.039 -6.023 8.154 1.00 0.00 H HETATM 388 HF2 B3K A 22 -2.341 -6.739 6.702 1.00 0.00 H HETATM 389 HNZ1 B3K A 22 -4.510 -7.651 6.149 1.00 0.00 H HETATM 390 HNZ2 B3K A 22 -5.181 -6.967 7.542 1.00 0.00 H HETATM 391 HA1 B3K A 22 -5.438 -2.859 2.216 1.00 0.00 H HETATM 392 HA2 B3K A 22 -5.994 -4.505 2.468 1.00 0.00 H HETATM 393 HZ3 B3K A 22 -4.011 -8.181 7.677 1.00 0.00 H ATOM 394 N THR A 23 -4.561 -3.411 -0.344 1.00 0.00 N ATOM 395 CA THR A 23 -4.681 -3.502 -1.807 1.00 0.00 C ATOM 396 C THR A 23 -3.702 -4.526 -2.357 1.00 0.00 C ATOM 397 O THR A 23 -4.083 -5.346 -3.198 1.00 0.00 O ATOM 398 CB THR A 23 -4.515 -2.133 -2.529 1.00 0.00 C ATOM 399 OG1 THR A 23 -5.122 -1.091 -1.754 1.00 0.00 O ATOM 400 CG2 THR A 23 -5.160 -2.163 -3.909 1.00 0.00 C ATOM 401 H THR A 23 -3.804 -2.900 0.048 1.00 0.00 H ATOM 402 HA THR A 23 -5.675 -3.867 -2.010 1.00 0.00 H ATOM 403 HB THR A 23 -3.456 -1.916 -2.649 1.00 0.00 H ATOM 404 HG1 THR A 23 -4.728 -1.073 -0.879 1.00 0.00 H ATOM 405 HG21 THR A 23 -4.967 -1.230 -4.417 1.00 0.00 H ATOM 406 HG22 THR A 23 -6.226 -2.303 -3.804 1.00 0.00 H ATOM 407 HG23 THR A 23 -4.743 -2.980 -4.478 1.00 0.00 H ATOM 408 N HIS A 24 -2.438 -4.479 -1.896 1.00 0.00 N ATOM 409 CA HIS A 24 -1.439 -5.483 -2.314 1.00 0.00 C ATOM 410 C HIS A 24 -1.891 -6.849 -1.859 1.00 0.00 C ATOM 411 O HIS A 24 -1.589 -7.889 -2.452 1.00 0.00 O ATOM 412 CB HIS A 24 -0.059 -5.175 -1.746 1.00 0.00 C ATOM 413 CG HIS A 24 0.737 -4.234 -2.588 1.00 0.00 C ATOM 414 ND1 HIS A 24 1.750 -4.615 -3.456 1.00 0.00 N ATOM 415 CD2 HIS A 24 0.620 -2.895 -2.735 1.00 0.00 C ATOM 416 CE1 HIS A 24 2.171 -3.513 -4.081 1.00 0.00 C ATOM 417 NE2 HIS A 24 1.514 -2.486 -3.692 1.00 0.00 N ATOM 418 H HIS A 24 -2.172 -3.748 -1.294 1.00 0.00 H ATOM 419 HA HIS A 24 -1.424 -5.474 -3.364 1.00 0.00 H ATOM 420 HB2 HIS A 24 -0.189 -4.731 -0.772 1.00 0.00 H ATOM 421 HB3 HIS A 24 0.499 -6.095 -1.647 1.00 0.00 H ATOM 422 HD1 HIS A 24 2.126 -5.513 -3.559 1.00 0.00 H ATOM 423 HD2 HIS A 24 0.036 -2.219 -2.116 1.00 0.00 H ATOM 424 HE1 HIS A 24 3.007 -3.444 -4.760 1.00 0.00 H HETATM 425 N B3Q A 25 -2.620 -6.770 -0.781 1.00 0.00 N HETATM 426 CB B3Q A 25 -3.280 -7.874 -0.154 1.00 0.00 C HETATM 427 CG B3Q A 25 -2.660 -8.238 1.202 1.00 0.00 C HETATM 428 CA B3Q A 25 -4.681 -7.341 0.023 1.00 0.00 C HETATM 429 C B3Q A 25 -5.802 -8.329 -0.218 1.00 0.00 C HETATM 430 O B3Q A 25 -5.597 -9.547 -0.275 1.00 0.00 O HETATM 431 HN B3Q A 25 -2.737 -5.867 -0.386 1.00 0.00 H HETATM 432 HB B3Q A 25 -3.277 -8.723 -0.826 1.00 0.00 H HETATM 433 HG B3Q A 25 -3.300 -8.956 1.694 1.00 0.00 H HETATM 434 HGA B3Q A 25 -2.606 -7.347 1.808 1.00 0.00 H HETATM 435 CD B3Q A 25 -1.258 -8.830 1.106 1.00 0.00 C HETATM 436 HA B3Q A 25 -4.781 -6.944 1.018 1.00 0.00 H HETATM 437 HAA B3Q A 25 -4.783 -6.526 -0.699 1.00 0.00 H HETATM 438 CE B3Q A 25 -0.195 -7.901 1.661 1.00 0.00 C HETATM 439 NF2 B3Q A 25 0.349 -7.044 0.804 1.00 0.00 N HETATM 440 H8 B3Q A 25 -1.036 -9.028 0.067 1.00 0.00 H HETATM 441 OF1 B3Q A 25 0.133 -7.953 2.846 1.00 0.00 O HETATM 442 H9 B3Q A 25 -1.228 -9.757 1.661 1.00 0.00 H HETATM 443 H11 B3Q A 25 0.038 -7.059 -0.125 1.00 0.00 H HETATM 444 H12 B3Q A 25 1.037 -6.431 1.138 1.00 0.00 H ATOM 445 N ASN A 26 -7.007 -7.766 -0.352 1.00 0.00 N ATOM 446 CA ASN A 26 -8.220 -8.552 -0.590 1.00 0.00 C ATOM 447 C ASN A 26 -8.660 -8.450 -2.049 1.00 0.00 C ATOM 448 O ASN A 26 -8.369 -7.459 -2.726 1.00 0.00 O ATOM 449 CB ASN A 26 -9.352 -8.082 0.331 1.00 0.00 C ATOM 450 CG ASN A 26 -9.114 -8.452 1.784 1.00 0.00 C ATOM 451 OD1 ASN A 26 -9.516 -9.524 2.238 1.00 0.00 O ATOM 452 ND2 ASN A 26 -8.457 -7.564 2.520 1.00 0.00 N ATOM 453 H ASN A 26 -7.080 -6.781 -0.287 1.00 0.00 H ATOM 454 HA ASN A 26 -7.993 -9.584 -0.369 1.00 0.00 H ATOM 455 HB2 ASN A 26 -9.440 -7.008 0.264 1.00 0.00 H ATOM 456 HB3 ASN A 26 -10.279 -8.535 0.010 1.00 0.00 H ATOM 457 HD21 ASN A 26 -8.167 -6.732 2.091 1.00 0.00 H ATOM 458 HD22 ASN A 26 -8.290 -7.777 3.462 1.00 0.00 H ATOM 459 N LYS A 27 -9.365 -9.486 -2.521 1.00 0.00 N ATOM 460 CA LYS A 27 -9.859 -9.536 -3.902 1.00 0.00 C ATOM 461 C LYS A 27 -11.297 -9.018 -3.999 1.00 0.00 C ATOM 462 O LYS A 27 -11.633 -8.284 -4.933 1.00 0.00 O ATOM 463 CB LYS A 27 -9.781 -10.967 -4.449 1.00 0.00 C ATOM 464 CG LYS A 27 -8.366 -11.433 -4.760 1.00 0.00 C ATOM 465 CD LYS A 27 -8.352 -12.858 -5.293 1.00 0.00 C ATOM 466 CE LYS A 27 -6.939 -13.333 -5.602 1.00 0.00 C ATOM 467 NZ LYS A 27 -6.388 -12.699 -6.834 1.00 0.00 N1+ ATOM 468 H LYS A 27 -9.560 -10.238 -1.922 1.00 0.00 H ATOM 469 HA LYS A 27 -9.223 -8.900 -4.499 1.00 0.00 H ATOM 470 HB2 LYS A 27 -10.206 -11.642 -3.720 1.00 0.00 H ATOM 471 HB3 LYS A 27 -10.363 -11.023 -5.358 1.00 0.00 H ATOM 472 HG2 LYS A 27 -7.936 -10.778 -5.503 1.00 0.00 H ATOM 473 HG3 LYS A 27 -7.777 -11.390 -3.856 1.00 0.00 H ATOM 474 HD2 LYS A 27 -8.785 -13.512 -4.551 1.00 0.00 H ATOM 475 HD3 LYS A 27 -8.942 -12.899 -6.198 1.00 0.00 H ATOM 476 HE2 LYS A 27 -6.301 -13.086 -4.768 1.00 0.00 H ATOM 477 HE3 LYS A 27 -6.956 -14.404 -5.736 1.00 0.00 H ATOM 478 HZ1 LYS A 27 -6.987 -12.930 -7.653 1.00 0.00 H ATOM 479 HZ2 LYS A 27 -5.425 -13.045 -7.015 1.00 0.00 H ATOM 480 HZ3 LYS A 27 -6.358 -11.665 -6.722 1.00 0.00 H ATOM 481 N LYS A 28 -12.134 -9.406 -3.028 1.00 0.00 N ATOM 482 CA LYS A 28 -13.537 -8.988 -2.992 1.00 0.00 C ATOM 483 C LYS A 28 -13.865 -8.306 -1.665 1.00 0.00 C ATOM 484 O LYS A 28 -13.808 -8.922 -0.598 1.00 0.00 O ATOM 485 CB LYS A 28 -14.465 -10.188 -3.216 1.00 0.00 C ATOM 486 CG LYS A 28 -14.488 -10.689 -4.653 1.00 0.00 C ATOM 487 CD LYS A 28 -15.435 -11.867 -4.817 1.00 0.00 C ATOM 488 CE LYS A 28 -15.463 -12.363 -6.253 1.00 0.00 C ATOM 489 NZ LYS A 28 -16.394 -13.512 -6.426 1.00 0.00 N1+ ATOM 490 H LYS A 28 -11.796 -9.990 -2.318 1.00 0.00 H ATOM 491 HA LYS A 28 -13.686 -8.277 -3.791 1.00 0.00 H ATOM 492 HB2 LYS A 28 -14.144 -11.000 -2.581 1.00 0.00 H ATOM 493 HB3 LYS A 28 -15.471 -9.906 -2.942 1.00 0.00 H ATOM 494 HG2 LYS A 28 -14.810 -9.887 -5.299 1.00 0.00 H ATOM 495 HG3 LYS A 28 -13.491 -11.000 -4.932 1.00 0.00 H ATOM 496 HD2 LYS A 28 -15.110 -12.671 -4.175 1.00 0.00 H ATOM 497 HD3 LYS A 28 -16.430 -11.556 -4.533 1.00 0.00 H ATOM 498 HE2 LYS A 28 -15.783 -11.554 -6.894 1.00 0.00 H ATOM 499 HE3 LYS A 28 -14.467 -12.672 -6.533 1.00 0.00 H ATOM 500 HZ1 LYS A 28 -16.391 -13.830 -7.416 1.00 0.00 H ATOM 501 HZ2 LYS A 28 -17.361 -13.232 -6.167 1.00 0.00 H ATOM 502 HZ3 LYS A 28 -16.102 -14.304 -5.818 1.00 0.00 H HETATM 503 N NH2 A 29 -14.199 -7.022 -1.733 1.00 0.00 N HETATM 504 HN1 NH2 A 29 -14.224 -6.597 -2.615 1.00 0.00 H HETATM 505 HN2 NH2 A 29 -14.406 -6.553 -0.898 1.00 0.00 H TER 506 NH2 A 29 HETATM 507 ZN ZN A 101 1.837 -0.736 -4.322 1.00 0.00 ZN