ATOM 1 N LYS A 1 7.347 1.629 7.304 1.00 0.00 N ATOM 2 CA LYS A 1 8.191 1.973 6.131 1.00 0.00 C ATOM 3 C LYS A 1 7.451 2.930 5.196 1.00 0.00 C ATOM 4 O LYS A 1 6.218 2.912 5.126 1.00 0.00 O ATOM 5 CB LYS A 1 8.585 0.697 5.377 1.00 0.00 C ATOM 6 CG LYS A 1 9.941 0.779 4.687 1.00 0.00 C ATOM 7 CD LYS A 1 10.277 -0.515 3.960 1.00 0.00 C ATOM 8 CE LYS A 1 11.635 -0.444 3.275 1.00 0.00 C ATOM 9 NZ LYS A 1 11.611 0.427 2.065 1.00 0.00 N1+ ATOM 10 H1 LYS A 1 6.468 1.170 6.989 1.00 0.00 H ATOM 11 H2 LYS A 1 7.103 2.490 7.834 1.00 0.00 H ATOM 12 H3 LYS A 1 7.858 0.980 7.934 1.00 0.00 H ATOM 13 HA LYS A 1 9.085 2.462 6.490 1.00 0.00 H ATOM 14 HB2 LYS A 1 8.613 -0.126 6.076 1.00 0.00 H ATOM 15 HB3 LYS A 1 7.836 0.492 4.625 1.00 0.00 H ATOM 16 HG2 LYS A 1 9.922 1.588 3.971 1.00 0.00 H ATOM 17 HG3 LYS A 1 10.701 0.972 5.430 1.00 0.00 H ATOM 18 HD2 LYS A 1 10.289 -1.324 4.675 1.00 0.00 H ATOM 19 HD3 LYS A 1 9.518 -0.704 3.215 1.00 0.00 H ATOM 20 HE2 LYS A 1 12.356 -0.049 3.975 1.00 0.00 H ATOM 21 HE3 LYS A 1 11.928 -1.442 2.984 1.00 0.00 H ATOM 22 HZ1 LYS A 1 12.553 0.455 1.625 1.00 0.00 H ATOM 23 HZ2 LYS A 1 11.335 1.395 2.326 1.00 0.00 H ATOM 24 HZ3 LYS A 1 10.928 0.059 1.373 1.00 0.00 H ATOM 25 N TYR A 2 8.220 3.757 4.479 1.00 0.00 N ATOM 26 CA TYR A 2 7.661 4.733 3.539 1.00 0.00 C ATOM 27 C TYR A 2 7.600 4.155 2.113 1.00 0.00 C ATOM 28 O TYR A 2 8.452 3.333 1.762 1.00 0.00 O ATOM 29 CB TYR A 2 8.500 6.015 3.546 1.00 0.00 C ATOM 30 CG TYR A 2 8.343 6.840 4.805 1.00 0.00 C ATOM 31 CD1 TYR A 2 7.366 7.824 4.896 1.00 0.00 C ATOM 32 CD2 TYR A 2 9.172 6.636 5.901 1.00 0.00 C ATOM 33 CE1 TYR A 2 7.220 8.580 6.043 1.00 0.00 C ATOM 34 CE2 TYR A 2 9.031 7.387 7.052 1.00 0.00 C ATOM 35 CZ TYR A 2 8.054 8.358 7.118 1.00 0.00 C ATOM 36 OH TYR A 2 7.911 9.108 8.263 1.00 0.00 O ATOM 37 H TYR A 2 9.193 3.709 4.586 1.00 0.00 H ATOM 38 HA TYR A 2 6.660 4.965 3.866 1.00 0.00 H ATOM 39 HB2 TYR A 2 9.544 5.753 3.453 1.00 0.00 H ATOM 40 HB3 TYR A 2 8.215 6.630 2.707 1.00 0.00 H ATOM 41 HD1 TYR A 2 6.714 7.995 4.052 1.00 0.00 H ATOM 42 HD2 TYR A 2 9.936 5.875 5.847 1.00 0.00 H ATOM 43 HE1 TYR A 2 6.454 9.340 6.095 1.00 0.00 H ATOM 44 HE2 TYR A 2 9.685 7.213 7.894 1.00 0.00 H ATOM 45 HH TYR A 2 8.774 9.395 8.568 1.00 0.00 H HETATM 46 N MAA A 3 6.582 4.559 1.257 1.00 0.00 N HETATM 47 CM MAA A 3 5.541 5.509 1.729 1.00 0.00 C HETATM 48 CA MAA A 3 6.446 4.056 -0.144 1.00 0.00 C HETATM 49 CB MAA A 3 7.715 4.235 -0.960 1.00 0.00 C HETATM 50 C MAA A 3 6.090 2.590 -0.197 1.00 0.00 C HETATM 51 O MAA A 3 6.367 1.817 0.723 1.00 0.00 O HETATM 52 HM1 MAA A 3 6.010 6.350 2.215 1.00 0.00 H HETATM 53 HM2 MAA A 3 4.888 5.005 2.427 1.00 0.00 H HETATM 54 HM3 MAA A 3 4.962 5.860 0.889 1.00 0.00 H HETATM 55 HA MAA A 3 5.653 4.594 -0.671 1.00 0.00 H HETATM 56 HB1 MAA A 3 8.574 4.089 -0.327 1.00 0.00 H HETATM 57 HB2 MAA A 3 7.738 5.221 -1.393 1.00 0.00 H HETATM 58 HB3 MAA A 3 7.713 3.484 -1.743 1.00 0.00 H ATOM 59 N CYS A 4 5.515 2.238 -1.330 1.00 0.00 N ATOM 60 CA CYS A 4 5.068 0.901 -1.639 1.00 0.00 C ATOM 61 C CYS A 4 6.197 -0.100 -1.810 1.00 0.00 C ATOM 62 O CYS A 4 7.276 0.223 -2.314 1.00 0.00 O ATOM 63 CB CYS A 4 4.222 0.995 -2.867 1.00 0.00 C ATOM 64 SG CYS A 4 3.950 -0.565 -3.678 1.00 0.00 S ATOM 65 H CYS A 4 5.381 2.931 -2.009 1.00 0.00 H ATOM 66 HA CYS A 4 4.462 0.531 -0.843 1.00 0.00 H ATOM 67 HB2 CYS A 4 3.258 1.414 -2.606 1.00 0.00 H ATOM 68 HB3 CYS A 4 4.709 1.647 -3.569 1.00 0.00 H ATOM 69 N PRO A 5 5.917 -1.343 -1.370 1.00 0.00 N ATOM 70 CA PRO A 5 6.873 -2.450 -1.401 1.00 0.00 C ATOM 71 C PRO A 5 6.937 -3.257 -2.704 1.00 0.00 C ATOM 72 O PRO A 5 7.947 -3.921 -2.960 1.00 0.00 O ATOM 73 CB PRO A 5 6.320 -3.294 -0.262 1.00 0.00 C ATOM 74 CG PRO A 5 4.851 -3.209 -0.456 1.00 0.00 C ATOM 75 CD PRO A 5 4.623 -1.767 -0.737 1.00 0.00 C ATOM 76 HA PRO A 5 7.857 -2.116 -1.153 1.00 0.00 H ATOM 77 HB2 PRO A 5 6.678 -4.309 -0.326 1.00 0.00 H ATOM 78 HB3 PRO A 5 6.581 -2.839 0.678 1.00 0.00 H ATOM 79 HG2 PRO A 5 4.549 -3.808 -1.306 1.00 0.00 H ATOM 80 HG3 PRO A 5 4.327 -3.503 0.436 1.00 0.00 H ATOM 81 HD2 PRO A 5 3.794 -1.638 -1.419 1.00 0.00 H ATOM 82 HD3 PRO A 5 4.451 -1.231 0.183 1.00 0.00 H ATOM 83 N GLU A 6 5.881 -3.204 -3.520 1.00 0.00 N ATOM 84 CA GLU A 6 5.872 -3.998 -4.773 1.00 0.00 C ATOM 85 C GLU A 6 5.509 -3.162 -5.987 1.00 0.00 C ATOM 86 O GLU A 6 5.899 -3.500 -7.110 1.00 0.00 O ATOM 87 CB GLU A 6 4.951 -5.230 -4.691 1.00 0.00 C ATOM 88 CG GLU A 6 5.071 -6.012 -3.396 1.00 0.00 C ATOM 89 CD GLU A 6 6.174 -7.054 -3.433 1.00 0.00 C ATOM 90 OE1 GLU A 6 5.894 -8.202 -3.836 1.00 0.00 O ATOM 91 OE2 GLU A 6 7.318 -6.720 -3.060 1.00 0.00 O1- ATOM 92 H GLU A 6 5.122 -2.596 -3.297 1.00 0.00 H ATOM 93 HA GLU A 6 6.878 -4.353 -4.913 1.00 0.00 H ATOM 94 HB2 GLU A 6 3.930 -4.917 -4.803 1.00 0.00 H ATOM 95 HB3 GLU A 6 5.198 -5.896 -5.506 1.00 0.00 H ATOM 96 HG2 GLU A 6 5.287 -5.311 -2.607 1.00 0.00 H ATOM 97 HG3 GLU A 6 4.132 -6.503 -3.195 1.00 0.00 H ATOM 98 N CYS A 7 4.767 -2.078 -5.769 1.00 0.00 N ATOM 99 CA CYS A 7 4.390 -1.194 -6.885 1.00 0.00 C ATOM 100 C CYS A 7 4.617 0.301 -6.573 1.00 0.00 C ATOM 101 O CYS A 7 3.897 0.878 -5.767 1.00 0.00 O ATOM 102 CB CYS A 7 2.977 -1.439 -7.445 1.00 0.00 C ATOM 103 SG CYS A 7 1.587 -0.665 -6.575 1.00 0.00 S ATOM 104 H CYS A 7 4.518 -1.857 -4.837 1.00 0.00 H ATOM 105 HA CYS A 7 5.073 -1.461 -7.658 1.00 0.00 H ATOM 106 HB2 CYS A 7 2.953 -1.042 -8.444 1.00 0.00 H ATOM 107 HB3 CYS A 7 2.794 -2.500 -7.481 1.00 0.00 H ATOM 108 N PRO A 8 5.609 0.949 -7.258 1.00 0.00 N ATOM 109 CA PRO A 8 5.994 2.378 -7.072 1.00 0.00 C ATOM 110 C PRO A 8 4.848 3.402 -7.199 1.00 0.00 C ATOM 111 O PRO A 8 4.988 4.443 -7.856 1.00 0.00 O ATOM 112 CB PRO A 8 7.039 2.608 -8.173 1.00 0.00 C ATOM 113 CG PRO A 8 7.587 1.264 -8.469 1.00 0.00 C ATOM 114 CD PRO A 8 6.443 0.314 -8.281 1.00 0.00 C ATOM 115 HA PRO A 8 6.468 2.519 -6.111 1.00 0.00 H ATOM 116 HB2 PRO A 8 6.562 3.034 -9.048 1.00 0.00 H ATOM 117 HB3 PRO A 8 7.821 3.260 -7.818 1.00 0.00 H ATOM 118 HG2 PRO A 8 7.948 1.229 -9.488 1.00 0.00 H ATOM 119 HG3 PRO A 8 8.380 1.026 -7.777 1.00 0.00 H ATOM 120 HD2 PRO A 8 5.879 0.205 -9.188 1.00 0.00 H ATOM 121 HD3 PRO A 8 6.796 -0.640 -7.929 1.00 0.00 H ATOM 122 N LYS A 9 3.722 3.103 -6.545 1.00 0.00 N ATOM 123 CA LYS A 9 2.565 3.987 -6.505 1.00 0.00 C ATOM 124 C LYS A 9 2.838 5.241 -5.648 1.00 0.00 C ATOM 125 O LYS A 9 2.404 6.329 -6.026 1.00 0.00 O ATOM 126 CB LYS A 9 1.319 3.186 -6.086 1.00 0.00 C ATOM 127 CG LYS A 9 0.003 3.710 -6.669 1.00 0.00 C ATOM 128 CD LYS A 9 -0.245 3.182 -8.077 1.00 0.00 C ATOM 129 CE LYS A 9 -1.551 3.709 -8.648 1.00 0.00 C ATOM 130 NZ LYS A 9 -1.802 3.199 -10.024 1.00 0.00 N1+ ATOM 131 H LYS A 9 3.658 2.235 -6.095 1.00 0.00 H ATOM 132 HA LYS A 9 2.420 4.334 -7.455 1.00 0.00 H ATOM 133 HB2 LYS A 9 1.444 2.167 -6.423 1.00 0.00 H ATOM 134 HB3 LYS A 9 1.248 3.185 -5.014 1.00 0.00 H ATOM 135 HG2 LYS A 9 -0.813 3.396 -6.036 1.00 0.00 H ATOM 136 HG3 LYS A 9 0.041 4.790 -6.704 1.00 0.00 H ATOM 137 HD2 LYS A 9 0.568 3.494 -8.717 1.00 0.00 H ATOM 138 HD3 LYS A 9 -0.285 2.103 -8.044 1.00 0.00 H ATOM 139 HE2 LYS A 9 -2.361 3.398 -8.006 1.00 0.00 H ATOM 140 HE3 LYS A 9 -1.507 4.788 -8.675 1.00 0.00 H ATOM 141 HZ1 LYS A 9 -1.033 3.493 -10.660 1.00 0.00 H ATOM 142 HZ2 LYS A 9 -2.700 3.576 -10.387 1.00 0.00 H ATOM 143 HZ3 LYS A 9 -1.854 2.160 -10.017 1.00 0.00 H HETATM 144 N MMO A 10 3.573 5.100 -4.498 1.00 0.00 N HETATM 145 CA MMO A 10 3.994 6.185 -3.593 1.00 0.00 C HETATM 146 C MMO A 10 3.042 7.376 -3.453 1.00 0.00 C HETATM 147 O MMO A 10 2.680 8.041 -4.426 1.00 0.00 O HETATM 148 CB MMO A 10 5.386 6.611 -4.101 1.00 0.00 C HETATM 149 CG MMO A 10 6.305 7.192 -3.033 1.00 0.00 C HETATM 150 CD MMO A 10 7.770 6.967 -3.383 1.00 0.00 C HETATM 151 NE MMO A 10 8.230 7.855 -4.461 1.00 0.00 N HETATM 152 CZ MMO A 10 9.469 7.859 -4.970 1.00 0.00 C HETATM 153 NH2 MMO A 10 9.774 8.705 -5.944 1.00 0.00 N HETATM 154 NH1 MMO A 10 10.404 7.025 -4.515 1.00 0.00 N HETATM 155 CN MMO A 10 3.934 3.759 -4.032 1.00 0.00 C HETATM 156 HA MMO A 10 4.094 5.735 -2.639 1.00 0.00 H HETATM 157 HCB1 MMO A 10 5.263 7.344 -4.883 1.00 0.00 H HETATM 158 HCB2 MMO A 10 5.870 5.739 -4.511 1.00 0.00 H HETATM 159 HCG1 MMO A 10 6.092 6.716 -2.088 1.00 0.00 H HETATM 160 HCG2 MMO A 10 6.123 8.255 -2.951 1.00 0.00 H HETATM 161 HCD1 MMO A 10 7.895 5.939 -3.698 1.00 0.00 H HETATM 162 HCD2 MMO A 10 8.368 7.149 -2.503 1.00 0.00 H HETATM 163 HH21 MMO A 10 9.082 9.335 -6.294 1.00 0.00 H HETATM 164 HH22 MMO A 10 10.698 8.713 -6.328 1.00 0.00 H HETATM 165 HH11 MMO A 10 11.324 7.043 -4.907 1.00 0.00 H HETATM 166 HC1 MMO A 10 5.009 3.671 -3.996 1.00 0.00 H HETATM 167 HC2 MMO A 10 3.531 3.033 -4.721 1.00 0.00 H HETATM 168 HC3 MMO A 10 3.524 3.594 -3.048 1.00 0.00 H HETATM 169 HE MMO A 10 7.576 8.486 -4.827 1.00 0.00 H HETATM 170 HH12 MMO A 10 10.186 6.382 -3.781 1.00 0.00 H ATOM 171 N PHE A 11 2.691 7.641 -2.192 1.00 0.00 N ATOM 172 CA PHE A 11 1.719 8.678 -1.823 1.00 0.00 C ATOM 173 C PHE A 11 2.209 9.498 -0.630 1.00 0.00 C ATOM 174 O PHE A 11 1.463 10.311 -0.071 1.00 0.00 O ATOM 175 CB PHE A 11 0.388 7.962 -1.482 1.00 0.00 C ATOM 176 CG PHE A 11 0.451 6.491 -1.820 1.00 0.00 C ATOM 177 CD1 PHE A 11 0.715 5.533 -0.849 1.00 0.00 C ATOM 178 CD2 PHE A 11 0.318 6.074 -3.137 1.00 0.00 C ATOM 179 CE1 PHE A 11 0.841 4.212 -1.194 1.00 0.00 C ATOM 180 CE2 PHE A 11 0.449 4.756 -3.473 1.00 0.00 C ATOM 181 CZ PHE A 11 0.713 3.829 -2.517 1.00 0.00 C ATOM 182 H PHE A 11 3.105 7.117 -1.475 1.00 0.00 H ATOM 183 HA PHE A 11 1.570 9.327 -2.671 1.00 0.00 H ATOM 184 HB2 PHE A 11 0.187 8.060 -0.426 1.00 0.00 H ATOM 185 HB3 PHE A 11 -0.418 8.404 -2.048 1.00 0.00 H ATOM 186 HD1 PHE A 11 0.847 5.825 0.183 1.00 0.00 H ATOM 187 HD2 PHE A 11 0.115 6.801 -3.904 1.00 0.00 H ATOM 188 HE1 PHE A 11 1.031 3.486 -0.431 1.00 0.00 H ATOM 189 HE2 PHE A 11 0.382 4.446 -4.505 1.00 0.00 H ATOM 190 HZ PHE A 11 0.813 2.792 -2.810 1.00 0.00 H HETATM 191 N NLE A 12 3.488 9.281 -0.252 1.00 0.00 N HETATM 192 CA NLE A 12 4.139 9.964 0.888 1.00 0.00 C HETATM 193 C NLE A 12 3.497 9.569 2.233 1.00 0.00 C HETATM 194 O NLE A 12 3.747 10.209 3.262 1.00 0.00 O HETATM 195 CB NLE A 12 4.130 11.503 0.713 1.00 0.00 C HETATM 196 CG NLE A 12 5.053 12.014 -0.392 1.00 0.00 C HETATM 197 CD NLE A 12 4.377 11.985 -1.757 1.00 0.00 C HETATM 198 CE NLE A 12 5.322 12.503 -2.820 1.00 0.00 C HETATM 199 H NLE A 12 4.016 8.633 -0.763 1.00 0.00 H HETATM 200 HA NLE A 12 5.167 9.632 0.906 1.00 0.00 H HETATM 201 HB2 NLE A 12 4.432 11.958 1.645 1.00 0.00 H HETATM 202 HB3 NLE A 12 3.124 11.818 0.480 1.00 0.00 H HETATM 203 HG2 NLE A 12 5.935 11.392 -0.425 1.00 0.00 H HETATM 204 HG3 NLE A 12 5.338 13.031 -0.168 1.00 0.00 H HETATM 205 HD2 NLE A 12 3.498 12.611 -1.737 1.00 0.00 H HETATM 206 HD3 NLE A 12 4.104 10.969 -2.002 1.00 0.00 H HETATM 207 HE1 NLE A 12 6.206 11.883 -2.849 1.00 0.00 H HETATM 208 HE2 NLE A 12 5.603 13.519 -2.587 1.00 0.00 H HETATM 209 HE3 NLE A 12 4.832 12.476 -3.782 1.00 0.00 H ATOM 210 N ARG A 13 2.689 8.494 2.219 1.00 0.00 N ATOM 211 CA ARG A 13 2.025 8.016 3.426 1.00 0.00 C ATOM 212 C ARG A 13 2.284 6.533 3.606 1.00 0.00 C ATOM 213 O ARG A 13 2.238 5.770 2.638 1.00 0.00 O ATOM 214 CB ARG A 13 0.520 8.287 3.367 1.00 0.00 C ATOM 215 CG ARG A 13 0.152 9.733 3.657 1.00 0.00 C ATOM 216 CD ARG A 13 -1.349 9.906 3.807 1.00 0.00 C ATOM 217 NE ARG A 13 -1.710 11.285 4.155 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.719 11.974 3.601 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.490 11.432 2.661 1.00 0.00 N1+ ATOM 220 NH2 ARG A 13 -2.955 13.218 3.996 1.00 0.00 N ATOM 221 H ARG A 13 2.547 8.001 1.371 1.00 0.00 H ATOM 222 HA ARG A 13 2.446 8.547 4.266 1.00 0.00 H ATOM 223 HB2 ARG A 13 0.159 8.037 2.381 1.00 0.00 H ATOM 224 HB3 ARG A 13 0.025 7.660 4.094 1.00 0.00 H ATOM 225 HG2 ARG A 13 0.634 10.041 4.573 1.00 0.00 H ATOM 226 HG3 ARG A 13 0.498 10.352 2.842 1.00 0.00 H ATOM 227 HD2 ARG A 13 -1.823 9.643 2.874 1.00 0.00 H ATOM 228 HD3 ARG A 13 -1.696 9.243 4.587 1.00 0.00 H ATOM 229 HE ARG A 13 -1.170 11.727 4.843 1.00 0.00 H ATOM 230 HH11 ARG A 13 -3.322 10.495 2.355 1.00 0.00 H ATOM 231 HH12 ARG A 13 -4.238 11.963 2.261 1.00 0.00 H ATOM 232 HH21 ARG A 13 -3.706 13.737 3.588 1.00 0.00 H ATOM 233 HH22 ARG A 13 -2.383 13.635 4.702 1.00 0.00 H ATOM 234 N SER A 14 2.559 6.135 4.848 1.00 0.00 N ATOM 235 CA SER A 14 2.844 4.739 5.159 1.00 0.00 C ATOM 236 C SER A 14 1.590 3.989 5.606 1.00 0.00 C ATOM 237 O SER A 14 1.390 2.837 5.214 1.00 0.00 O ATOM 238 CB SER A 14 3.929 4.641 6.233 1.00 0.00 C ATOM 239 OG SER A 14 5.121 5.281 5.815 1.00 0.00 O ATOM 240 H SER A 14 2.571 6.797 5.571 1.00 0.00 H ATOM 241 HA SER A 14 3.210 4.283 4.248 1.00 0.00 H ATOM 242 HB2 SER A 14 3.580 5.115 7.138 1.00 0.00 H ATOM 243 HB3 SER A 14 4.143 3.602 6.431 1.00 0.00 H ATOM 244 HG SER A 14 5.864 4.684 5.932 1.00 0.00 H HETATM 245 OE1 B3D A 15 0.386 1.717 9.021 1.00 0.00 O HETATM 246 CD B3D A 15 0.665 2.929 8.903 1.00 0.00 C HETATM 247 OE2 B3D A 15 1.795 3.400 9.153 1.00 0.00 O HETATM 248 CG B3D A 15 -0.424 3.878 8.431 1.00 0.00 C HETATM 249 CB B3D A 15 -0.468 4.021 6.897 1.00 0.00 C HETATM 250 N B3D A 15 0.751 4.639 6.427 1.00 0.00 N HETATM 251 CA B3D A 15 -1.695 4.866 6.551 1.00 0.00 C HETATM 252 C B3D A 15 -2.354 4.419 5.276 1.00 0.00 C HETATM 253 O B3D A 15 -2.859 3.284 5.171 1.00 0.00 O HETATM 254 HG3 B3D A 15 -0.244 4.847 8.871 1.00 0.00 H HETATM 255 HG2 B3D A 15 -1.375 3.501 8.779 1.00 0.00 H HETATM 256 HB B3D A 15 -0.529 3.045 6.377 1.00 0.00 H HETATM 257 H B3D A 15 0.964 5.554 6.707 1.00 0.00 H HETATM 258 HA1 B3D A 15 -1.391 5.896 6.434 1.00 0.00 H HETATM 259 HA2 B3D A 15 -2.416 4.797 7.349 1.00 0.00 H ATOM 260 N HIS A 16 -2.310 5.320 4.280 1.00 0.00 N ATOM 261 CA HIS A 16 -2.879 5.072 2.953 1.00 0.00 C ATOM 262 C HIS A 16 -2.175 3.908 2.256 1.00 0.00 C ATOM 263 O HIS A 16 -2.783 3.226 1.434 1.00 0.00 O ATOM 264 CB HIS A 16 -2.793 6.333 2.092 1.00 0.00 C ATOM 265 CG HIS A 16 -3.845 7.347 2.417 1.00 0.00 C ATOM 266 ND1 HIS A 16 -3.908 8.006 3.627 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.886 7.810 1.684 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.941 8.829 3.624 1.00 0.00 C ATOM 269 NE2 HIS A 16 -5.550 8.730 2.458 1.00 0.00 N ATOM 270 H HIS A 16 -1.878 6.183 4.449 1.00 0.00 H ATOM 271 HA HIS A 16 -3.919 4.813 3.086 1.00 0.00 H ATOM 272 HB2 HIS A 16 -1.829 6.796 2.238 1.00 0.00 H ATOM 273 HB3 HIS A 16 -2.903 6.059 1.052 1.00 0.00 H ATOM 274 HD1 HIS A 16 -3.287 7.888 4.376 1.00 0.00 H ATOM 275 HD2 HIS A 16 -5.145 7.510 0.679 1.00 0.00 H ATOM 276 HE1 HIS A 16 -5.237 9.475 4.438 1.00 0.00 H ATOM 277 HE2 HIS A 16 -6.287 9.302 2.155 1.00 0.00 H ATOM 278 N LEU A 17 -0.880 3.708 2.575 1.00 0.00 N ATOM 279 CA LEU A 17 -0.105 2.605 2.023 1.00 0.00 C ATOM 280 C LEU A 17 -0.382 1.298 2.762 1.00 0.00 C ATOM 281 O LEU A 17 -0.384 0.245 2.143 1.00 0.00 O ATOM 282 CB LEU A 17 1.405 2.888 2.056 1.00 0.00 C ATOM 283 CG LEU A 17 2.319 1.694 1.686 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.195 1.303 0.212 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.749 2.011 2.041 1.00 0.00 C ATOM 286 H LEU A 17 -0.432 4.343 3.153 1.00 0.00 H ATOM 287 HA LEU A 17 -0.421 2.488 0.997 1.00 0.00 H ATOM 288 HB2 LEU A 17 1.619 3.705 1.387 1.00 0.00 H ATOM 289 HB3 LEU A 17 1.658 3.199 3.057 1.00 0.00 H ATOM 290 HG LEU A 17 2.018 0.838 2.273 1.00 0.00 H ATOM 291 HD11 LEU A 17 1.153 1.328 -0.072 1.00 0.00 H ATOM 292 HD12 LEU A 17 2.570 0.288 0.064 1.00 0.00 H ATOM 293 HD13 LEU A 17 2.758 1.993 -0.405 1.00 0.00 H ATOM 294 HD21 LEU A 17 4.091 2.842 1.439 1.00 0.00 H ATOM 295 HD22 LEU A 17 4.364 1.145 1.846 1.00 0.00 H ATOM 296 HD23 LEU A 17 3.808 2.271 3.087 1.00 0.00 H ATOM 297 N SER A 18 -0.546 1.360 4.092 1.00 0.00 N ATOM 298 CA SER A 18 -0.841 0.159 4.887 1.00 0.00 C ATOM 299 C SER A 18 -2.131 -0.498 4.386 1.00 0.00 C ATOM 300 O SER A 18 -2.119 -1.662 3.971 1.00 0.00 O ATOM 301 CB SER A 18 -0.940 0.495 6.384 1.00 0.00 C ATOM 302 OG SER A 18 -1.144 -0.674 7.163 1.00 0.00 O ATOM 303 H SER A 18 -0.433 2.221 4.544 1.00 0.00 H ATOM 304 HA SER A 18 -0.025 -0.535 4.739 1.00 0.00 H ATOM 305 HB2 SER A 18 -0.022 0.963 6.706 1.00 0.00 H ATOM 306 HB3 SER A 18 -1.768 1.169 6.545 1.00 0.00 H ATOM 307 HG SER A 18 -1.516 -0.429 8.015 1.00 0.00 H HETATM 308 N B3K A 19 -3.226 0.272 4.375 1.00 0.00 N HETATM 309 CB B3K A 19 -4.484 -0.242 3.904 1.00 0.00 C HETATM 310 CG B3K A 19 -5.569 -0.004 4.978 1.00 0.00 C HETATM 311 CD B3K A 19 -5.391 -0.847 6.235 1.00 0.00 C HETATM 312 CE B3K A 19 -6.485 -0.566 7.253 1.00 0.00 C HETATM 313 CF B3K A 19 -6.308 -1.406 8.506 1.00 0.00 C HETATM 314 NZ B3K A 19 -7.373 -1.138 9.511 1.00 0.00 N HETATM 315 CA B3K A 19 -4.934 0.492 2.639 1.00 0.00 C HETATM 316 C B3K A 19 -4.330 -0.038 1.361 1.00 0.00 C HETATM 317 O B3K A 19 -4.741 -1.088 0.840 1.00 0.00 O HETATM 318 H B3K A 19 -3.167 1.210 4.688 1.00 0.00 H HETATM 319 HB B3K A 19 -4.313 -1.320 3.687 1.00 0.00 H HETATM 320 HG2 B3K A 19 -6.536 -0.234 4.557 1.00 0.00 H HETATM 321 HG3 B3K A 19 -5.551 1.036 5.265 1.00 0.00 H HETATM 322 HD2 B3K A 19 -4.432 -0.617 6.678 1.00 0.00 H HETATM 323 HD3 B3K A 19 -5.424 -1.891 5.965 1.00 0.00 H HETATM 324 HE2 B3K A 19 -7.443 -0.795 6.809 1.00 0.00 H HETATM 325 HE3 B3K A 19 -6.452 0.478 7.525 1.00 0.00 H HETATM 326 HF1 B3K A 19 -5.347 -1.179 8.945 1.00 0.00 H HETATM 327 HF2 B3K A 19 -6.339 -2.450 8.233 1.00 0.00 H HETATM 328 HNZ1 B3K A 19 -8.307 -1.359 9.109 1.00 0.00 H HETATM 329 HNZ2 B3K A 19 -7.357 -0.137 9.792 1.00 0.00 H HETATM 330 HA1 B3K A 19 -6.008 0.417 2.552 1.00 0.00 H HETATM 331 HA2 B3K A 19 -4.664 1.533 2.729 1.00 0.00 H HETATM 332 HZ3 B3K A 19 -7.224 -1.726 10.356 1.00 0.00 H ATOM 333 N HIS A 20 -3.285 0.665 0.889 1.00 0.00 N ATOM 334 CA HIS A 20 -2.602 0.357 -0.360 1.00 0.00 C ATOM 335 C HIS A 20 -2.081 -1.087 -0.449 1.00 0.00 C ATOM 336 O HIS A 20 -2.172 -1.731 -1.494 1.00 0.00 O ATOM 337 CB HIS A 20 -1.450 1.305 -0.536 1.00 0.00 C ATOM 338 CG HIS A 20 -0.767 1.080 -1.817 1.00 0.00 C ATOM 339 ND1 HIS A 20 -1.184 1.611 -3.012 1.00 0.00 N ATOM 340 CD2 HIS A 20 0.264 0.269 -2.092 1.00 0.00 C ATOM 341 CE1 HIS A 20 -0.408 1.098 -3.963 1.00 0.00 C ATOM 342 NE2 HIS A 20 0.488 0.289 -3.442 1.00 0.00 N ATOM 343 H HIS A 20 -2.929 1.407 1.427 1.00 0.00 H ATOM 344 HA HIS A 20 -3.268 0.549 -1.163 1.00 0.00 H ATOM 345 HB2 HIS A 20 -1.810 2.325 -0.508 1.00 0.00 H ATOM 346 HB3 HIS A 20 -0.747 1.135 0.257 1.00 0.00 H ATOM 347 HD1 HIS A 20 -1.917 2.248 -3.141 1.00 0.00 H ATOM 348 HD2 HIS A 20 0.788 -0.377 -1.376 1.00 0.00 H ATOM 349 HE1 HIS A 20 -0.540 1.269 -5.015 1.00 0.00 H ATOM 350 N ILE A 21 -1.484 -1.556 0.626 1.00 0.00 N ATOM 351 CA ILE A 21 -0.912 -2.881 0.654 1.00 0.00 C ATOM 352 C ILE A 21 -1.845 -3.899 1.307 1.00 0.00 C ATOM 353 O ILE A 21 -1.605 -5.103 1.224 1.00 0.00 O ATOM 354 CB ILE A 21 0.512 -2.877 1.272 1.00 0.00 C ATOM 355 CG1 ILE A 21 0.523 -2.620 2.790 1.00 0.00 C ATOM 356 CG2 ILE A 21 1.374 -1.877 0.567 1.00 0.00 C ATOM 357 CD1 ILE A 21 0.629 -3.882 3.621 1.00 0.00 C ATOM 358 H ILE A 21 -1.403 -0.991 1.405 1.00 0.00 H ATOM 359 HA ILE A 21 -0.806 -3.169 -0.377 1.00 0.00 H ATOM 360 HB ILE A 21 0.948 -3.805 1.061 1.00 0.00 H ATOM 361 HG12 ILE A 21 1.366 -1.992 3.037 1.00 0.00 H ATOM 362 HG13 ILE A 21 -0.390 -2.115 3.069 1.00 0.00 H ATOM 363 HG21 ILE A 21 0.894 -0.913 0.610 1.00 0.00 H ATOM 364 HG22 ILE A 21 1.493 -2.187 -0.462 1.00 0.00 H ATOM 365 HG23 ILE A 21 2.337 -1.828 1.046 1.00 0.00 H ATOM 366 HD11 ILE A 21 1.545 -4.399 3.376 1.00 0.00 H ATOM 367 HD12 ILE A 21 -0.215 -4.524 3.410 1.00 0.00 H ATOM 368 HD13 ILE A 21 0.630 -3.624 4.670 1.00 0.00 H HETATM 369 N B3K A 22 -2.869 -3.398 1.997 1.00 0.00 N HETATM 370 CB B3K A 22 -3.867 -4.235 2.576 1.00 0.00 C HETATM 371 CG B3K A 22 -3.953 -3.957 4.090 1.00 0.00 C HETATM 372 CD B3K A 22 -3.846 -5.209 4.944 1.00 0.00 C HETATM 373 CE B3K A 22 -3.913 -4.881 6.426 1.00 0.00 C HETATM 374 CF B3K A 22 -3.783 -6.131 7.280 1.00 0.00 C HETATM 375 NZ B3K A 22 -3.844 -5.819 8.735 1.00 0.00 N HETATM 376 CA B3K A 22 -5.246 -3.903 1.975 1.00 0.00 C HETATM 377 C B3K A 22 -5.379 -4.131 0.476 1.00 0.00 C HETATM 378 O B3K A 22 -6.246 -4.912 0.048 1.00 0.00 O HETATM 379 H B3K A 22 -2.914 -2.426 2.149 1.00 0.00 H HETATM 380 HB B3K A 22 -3.574 -5.280 2.337 1.00 0.00 H HETATM 381 HG2 B3K A 22 -4.899 -3.481 4.305 1.00 0.00 H HETATM 382 HG3 B3K A 22 -3.151 -3.288 4.367 1.00 0.00 H HETATM 383 HD2 B3K A 22 -2.905 -5.696 4.734 1.00 0.00 H HETATM 384 HD3 B3K A 22 -4.660 -5.873 4.695 1.00 0.00 H HETATM 385 HE2 B3K A 22 -4.862 -4.408 6.637 1.00 0.00 H HETATM 386 HE3 B3K A 22 -3.109 -4.203 6.671 1.00 0.00 H HETATM 387 HF1 B3K A 22 -2.836 -6.603 7.061 1.00 0.00 H HETATM 388 HF2 B3K A 22 -4.587 -6.807 7.032 1.00 0.00 H HETATM 389 HNZ1 B3K A 22 -3.749 -6.693 9.292 1.00 0.00 H HETATM 390 HNZ2 B3K A 22 -4.754 -5.372 8.967 1.00 0.00 H HETATM 391 HA1 B3K A 22 -5.462 -2.862 2.169 1.00 0.00 H HETATM 392 HA2 B3K A 22 -5.990 -4.508 2.469 1.00 0.00 H HETATM 393 HZ3 B3K A 22 -3.075 -5.170 8.995 1.00 0.00 H ATOM 394 N THR A 23 -4.505 -3.481 -0.340 1.00 0.00 N ATOM 395 CA THR A 23 -4.587 -3.618 -1.802 1.00 0.00 C ATOM 396 C THR A 23 -3.582 -4.645 -2.299 1.00 0.00 C ATOM 397 O THR A 23 -3.935 -5.505 -3.112 1.00 0.00 O ATOM 398 CB THR A 23 -4.417 -2.268 -2.557 1.00 0.00 C ATOM 399 OG1 THR A 23 -5.039 -1.210 -1.817 1.00 0.00 O ATOM 400 CG2 THR A 23 -5.040 -2.332 -3.945 1.00 0.00 C ATOM 401 H THR A 23 -3.766 -2.945 0.053 1.00 0.00 H ATOM 402 HA THR A 23 -5.571 -3.999 -2.020 1.00 0.00 H ATOM 403 HB THR A 23 -3.356 -2.047 -2.666 1.00 0.00 H ATOM 404 HG1 THR A 23 -4.566 -1.074 -0.993 1.00 0.00 H ATOM 405 HG21 THR A 23 -6.104 -2.492 -3.854 1.00 0.00 H ATOM 406 HG22 THR A 23 -4.598 -3.150 -4.495 1.00 0.00 H ATOM 407 HG23 THR A 23 -4.856 -1.405 -4.464 1.00 0.00 H ATOM 408 N HIS A 24 -2.328 -4.559 -1.819 1.00 0.00 N ATOM 409 CA HIS A 24 -1.303 -5.556 -2.185 1.00 0.00 C ATOM 410 C HIS A 24 -1.718 -6.912 -1.669 1.00 0.00 C ATOM 411 O HIS A 24 -1.366 -7.969 -2.201 1.00 0.00 O ATOM 412 CB HIS A 24 0.064 -5.187 -1.623 1.00 0.00 C ATOM 413 CG HIS A 24 0.833 -4.238 -2.481 1.00 0.00 C ATOM 414 ND1 HIS A 24 1.896 -4.595 -3.303 1.00 0.00 N ATOM 415 CD2 HIS A 24 0.649 -2.915 -2.686 1.00 0.00 C ATOM 416 CE1 HIS A 24 2.276 -3.494 -3.958 1.00 0.00 C ATOM 417 NE2 HIS A 24 1.553 -2.495 -3.630 1.00 0.00 N ATOM 418 H HIS A 24 -2.089 -3.807 -1.234 1.00 0.00 H ATOM 419 HA HIS A 24 -1.283 -5.596 -3.234 1.00 0.00 H ATOM 420 HB2 HIS A 24 -0.087 -4.722 -0.660 1.00 0.00 H ATOM 421 HB3 HIS A 24 0.652 -6.084 -1.498 1.00 0.00 H ATOM 422 HD1 HIS A 24 2.320 -5.476 -3.363 1.00 0.00 H ATOM 423 HD2 HIS A 24 0.013 -2.251 -2.108 1.00 0.00 H ATOM 424 HE1 HIS A 24 3.133 -3.398 -4.615 1.00 0.00 H HETATM 425 N B3Q A 25 -2.474 -6.804 -0.616 1.00 0.00 N HETATM 426 CB B3Q A 25 -3.098 -7.897 0.063 1.00 0.00 C HETATM 427 CG B3Q A 25 -2.459 -8.161 1.435 1.00 0.00 C HETATM 428 CA B3Q A 25 -4.517 -7.407 0.214 1.00 0.00 C HETATM 429 C B3Q A 25 -5.600 -8.429 -0.047 1.00 0.00 C HETATM 430 O B3Q A 25 -5.366 -9.645 -0.027 1.00 0.00 O HETATM 431 HN B3Q A 25 -2.640 -5.887 -0.275 1.00 0.00 H HETATM 432 HB B3Q A 25 -3.062 -8.777 -0.569 1.00 0.00 H HETATM 433 HG B3Q A 25 -3.030 -8.925 1.943 1.00 0.00 H HETATM 434 HGA B3Q A 25 -2.496 -7.252 2.017 1.00 0.00 H HETATM 435 CD B3Q A 25 -1.005 -8.616 1.364 1.00 0.00 C HETATM 436 HA B3Q A 25 -4.650 -7.010 1.206 1.00 0.00 H HETATM 437 HAA B3Q A 25 -4.631 -6.597 -0.515 1.00 0.00 H HETATM 438 CE B3Q A 25 -0.140 -7.965 2.427 1.00 0.00 C HETATM 439 NF2 B3Q A 25 0.424 -6.805 2.102 1.00 0.00 N HETATM 440 H8 B3Q A 25 -0.609 -8.360 0.392 1.00 0.00 H HETATM 441 OF1 B3Q A 25 0.016 -8.495 3.526 1.00 0.00 O HETATM 442 H9 B3Q A 25 -0.965 -9.687 1.496 1.00 0.00 H HETATM 443 H11 B3Q A 25 0.254 -6.440 1.208 1.00 0.00 H HETATM 444 H12 B3Q A 25 0.989 -6.361 2.770 1.00 0.00 H ATOM 445 N ASN A 26 -6.805 -7.904 -0.289 1.00 0.00 N ATOM 446 CA ASN A 26 -7.981 -8.733 -0.568 1.00 0.00 C ATOM 447 C ASN A 26 -8.265 -8.803 -2.070 1.00 0.00 C ATOM 448 O ASN A 26 -8.568 -9.878 -2.596 1.00 0.00 O ATOM 449 CB ASN A 26 -9.208 -8.191 0.175 1.00 0.00 C ATOM 450 CG ASN A 26 -9.120 -8.392 1.677 1.00 0.00 C ATOM 451 OD1 ASN A 26 -9.555 -9.415 2.203 1.00 0.00 O ATOM 452 ND2 ASN A 26 -8.554 -7.413 2.372 1.00 0.00 N ATOM 453 H ASN A 26 -6.902 -6.919 -0.276 1.00 0.00 H ATOM 454 HA ASN A 26 -7.770 -9.729 -0.210 1.00 0.00 H ATOM 455 HB2 ASN A 26 -9.301 -7.132 -0.021 1.00 0.00 H ATOM 456 HB3 ASN A 26 -10.092 -8.697 -0.186 1.00 0.00 H ATOM 457 HD21 ASN A 26 -8.229 -6.627 1.886 1.00 0.00 H ATOM 458 HD22 ASN A 26 -8.484 -7.518 3.344 1.00 0.00 H ATOM 459 N LYS A 27 -8.164 -7.652 -2.748 1.00 0.00 N ATOM 460 CA LYS A 27 -8.407 -7.570 -4.190 1.00 0.00 C ATOM 461 C LYS A 27 -7.097 -7.401 -4.953 1.00 0.00 C ATOM 462 O LYS A 27 -6.166 -6.754 -4.465 1.00 0.00 O ATOM 463 CB LYS A 27 -9.350 -6.406 -4.512 1.00 0.00 C ATOM 464 CG LYS A 27 -10.799 -6.661 -4.120 1.00 0.00 C ATOM 465 CD LYS A 27 -11.685 -5.474 -4.465 1.00 0.00 C ATOM 466 CE LYS A 27 -13.132 -5.728 -4.073 1.00 0.00 C ATOM 467 NZ LYS A 27 -14.009 -4.570 -4.407 1.00 0.00 N1+ ATOM 468 H LYS A 27 -7.918 -6.837 -2.263 1.00 0.00 H ATOM 469 HA LYS A 27 -8.872 -8.495 -4.499 1.00 0.00 H ATOM 470 HB2 LYS A 27 -9.009 -5.527 -3.989 1.00 0.00 H ATOM 471 HB3 LYS A 27 -9.317 -6.217 -5.575 1.00 0.00 H ATOM 472 HG2 LYS A 27 -11.158 -7.531 -4.648 1.00 0.00 H ATOM 473 HG3 LYS A 27 -10.848 -6.837 -3.055 1.00 0.00 H ATOM 474 HD2 LYS A 27 -11.328 -4.604 -3.938 1.00 0.00 H ATOM 475 HD3 LYS A 27 -11.636 -5.299 -5.531 1.00 0.00 H ATOM 476 HE2 LYS A 27 -13.488 -6.600 -4.600 1.00 0.00 H ATOM 477 HE3 LYS A 27 -13.177 -5.907 -3.009 1.00 0.00 H ATOM 478 HZ1 LYS A 27 -13.984 -4.387 -5.431 1.00 0.00 H ATOM 479 HZ2 LYS A 27 -13.683 -3.719 -3.906 1.00 0.00 H ATOM 480 HZ3 LYS A 27 -14.989 -4.772 -4.125 1.00 0.00 H ATOM 481 N LYS A 28 -7.041 -7.990 -6.151 1.00 0.00 N ATOM 482 CA LYS A 28 -5.850 -7.917 -7.003 1.00 0.00 C ATOM 483 C LYS A 28 -6.170 -7.238 -8.336 1.00 0.00 C ATOM 484 O LYS A 28 -5.479 -6.307 -8.750 1.00 0.00 O ATOM 485 CB LYS A 28 -5.269 -9.318 -7.244 1.00 0.00 C ATOM 486 CG LYS A 28 -4.569 -9.911 -6.029 1.00 0.00 C ATOM 487 CD LYS A 28 -4.012 -11.294 -6.328 1.00 0.00 C ATOM 488 CE LYS A 28 -3.311 -11.885 -5.115 1.00 0.00 C ATOM 489 NZ LYS A 28 -2.761 -13.240 -5.398 1.00 0.00 N1+ ATOM 490 H LYS A 28 -7.821 -8.488 -6.472 1.00 0.00 H ATOM 491 HA LYS A 28 -5.115 -7.320 -6.483 1.00 0.00 H ATOM 492 HB2 LYS A 28 -6.071 -9.983 -7.529 1.00 0.00 H ATOM 493 HB3 LYS A 28 -4.556 -9.264 -8.052 1.00 0.00 H ATOM 494 HG2 LYS A 28 -3.756 -9.261 -5.742 1.00 0.00 H ATOM 495 HG3 LYS A 28 -5.278 -9.985 -5.218 1.00 0.00 H ATOM 496 HD2 LYS A 28 -4.825 -11.944 -6.613 1.00 0.00 H ATOM 497 HD3 LYS A 28 -3.306 -11.219 -7.141 1.00 0.00 H ATOM 498 HE2 LYS A 28 -2.502 -11.230 -4.829 1.00 0.00 H ATOM 499 HE3 LYS A 28 -4.020 -11.956 -4.304 1.00 0.00 H ATOM 500 HZ1 LYS A 28 -2.072 -13.191 -6.176 1.00 0.00 H ATOM 501 HZ2 LYS A 28 -3.528 -13.887 -5.670 1.00 0.00 H ATOM 502 HZ3 LYS A 28 -2.288 -13.617 -4.552 1.00 0.00 H HETATM 503 N NH2 A 29 -7.220 -7.703 -9.009 1.00 0.00 N HETATM 504 HN1 NH2 A 29 -7.727 -8.446 -8.621 1.00 0.00 H HETATM 505 HN2 NH2 A 29 -7.444 -7.284 -9.867 1.00 0.00 H TER 506 NH2 A 29 HETATM 507 ZN ZN A 101 1.822 -0.770 -4.335 1.00 0.00 ZN