ATOM 1 N LYS A 1 10.073 1.404 5.629 1.00 0.00 N ATOM 2 CA LYS A 1 9.064 2.451 5.949 1.00 0.00 C ATOM 3 C LYS A 1 8.887 3.412 4.780 1.00 0.00 C ATOM 4 O LYS A 1 9.824 3.642 4.009 1.00 0.00 O ATOM 5 CB LYS A 1 9.481 3.231 7.201 1.00 0.00 C ATOM 6 CG LYS A 1 9.327 2.445 8.496 1.00 0.00 C ATOM 7 CD LYS A 1 9.742 3.273 9.700 1.00 0.00 C ATOM 8 CE LYS A 1 9.577 2.493 10.995 1.00 0.00 C ATOM 9 NZ LYS A 1 9.974 3.298 12.183 1.00 0.00 N1+ ATOM 10 H1 LYS A 1 10.992 1.844 5.424 1.00 0.00 H ATOM 11 H2 LYS A 1 9.769 0.858 4.798 1.00 0.00 H ATOM 12 H3 LYS A 1 10.182 0.756 6.435 1.00 0.00 H ATOM 13 HA LYS A 1 8.120 1.961 6.137 1.00 0.00 H ATOM 14 HB2 LYS A 1 10.517 3.519 7.102 1.00 0.00 H ATOM 15 HB3 LYS A 1 8.874 4.122 7.273 1.00 0.00 H ATOM 16 HG2 LYS A 1 8.294 2.154 8.609 1.00 0.00 H ATOM 17 HG3 LYS A 1 9.948 1.562 8.445 1.00 0.00 H ATOM 18 HD2 LYS A 1 10.777 3.556 9.592 1.00 0.00 H ATOM 19 HD3 LYS A 1 9.126 4.160 9.745 1.00 0.00 H ATOM 20 HE2 LYS A 1 8.542 2.204 11.097 1.00 0.00 H ATOM 21 HE3 LYS A 1 10.195 1.609 10.947 1.00 0.00 H ATOM 22 HZ1 LYS A 1 9.386 4.154 12.247 1.00 0.00 H ATOM 23 HZ2 LYS A 1 10.971 3.583 12.105 1.00 0.00 H ATOM 24 HZ3 LYS A 1 9.851 2.739 13.051 1.00 0.00 H ATOM 25 N TYR A 2 7.666 3.975 4.658 1.00 0.00 N ATOM 26 CA TYR A 2 7.295 4.936 3.588 1.00 0.00 C ATOM 27 C TYR A 2 7.343 4.296 2.183 1.00 0.00 C ATOM 28 O TYR A 2 8.204 3.448 1.934 1.00 0.00 O ATOM 29 CB TYR A 2 8.184 6.194 3.621 1.00 0.00 C ATOM 30 CG TYR A 2 7.957 7.069 4.834 1.00 0.00 C ATOM 31 CD1 TYR A 2 8.681 6.871 6.002 1.00 0.00 C ATOM 32 CD2 TYR A 2 7.018 8.093 4.810 1.00 0.00 C ATOM 33 CE1 TYR A 2 8.476 7.668 7.113 1.00 0.00 C ATOM 34 CE2 TYR A 2 6.808 8.895 5.915 1.00 0.00 C ATOM 35 CZ TYR A 2 7.538 8.678 7.064 1.00 0.00 C ATOM 36 OH TYR A 2 7.332 9.474 8.167 1.00 0.00 O ATOM 37 H TYR A 2 6.982 3.734 5.317 1.00 0.00 H ATOM 38 HA TYR A 2 6.277 5.235 3.783 1.00 0.00 H ATOM 39 HB2 TYR A 2 9.220 5.893 3.620 1.00 0.00 H ATOM 40 HB3 TYR A 2 7.987 6.788 2.740 1.00 0.00 H ATOM 41 HD1 TYR A 2 9.414 6.080 6.037 1.00 0.00 H ATOM 42 HD2 TYR A 2 6.445 8.259 3.908 1.00 0.00 H ATOM 43 HE1 TYR A 2 9.050 7.498 8.011 1.00 0.00 H ATOM 44 HE2 TYR A 2 6.073 9.685 5.877 1.00 0.00 H ATOM 45 HH TYR A 2 6.389 9.583 8.311 1.00 0.00 H HETATM 46 N MAA A 3 6.406 4.681 1.230 1.00 0.00 N HETATM 47 CM MAA A 3 5.348 5.667 1.574 1.00 0.00 C HETATM 48 CA MAA A 3 6.375 4.125 -0.156 1.00 0.00 C HETATM 49 CB MAA A 3 7.707 4.265 -0.870 1.00 0.00 C HETATM 50 C MAA A 3 6.012 2.660 -0.187 1.00 0.00 C HETATM 51 O MAA A 3 6.242 1.911 0.764 1.00 0.00 O HETATM 52 HM1 MAA A 3 5.793 6.525 2.053 1.00 0.00 H HETATM 53 HM2 MAA A 3 4.634 5.208 2.242 1.00 0.00 H HETATM 54 HM3 MAA A 3 4.841 5.983 0.676 1.00 0.00 H HETATM 55 HA MAA A 3 5.632 4.650 -0.762 1.00 0.00 H HETATM 56 HB1 MAA A 3 7.809 5.261 -1.265 1.00 0.00 H HETATM 57 HB2 MAA A 3 7.730 3.541 -1.677 1.00 0.00 H HETATM 58 HB3 MAA A 3 8.507 4.057 -0.179 1.00 0.00 H ATOM 59 N CYS A 4 5.506 2.278 -1.345 1.00 0.00 N ATOM 60 CA CYS A 4 5.072 0.934 -1.644 1.00 0.00 C ATOM 61 C CYS A 4 6.213 -0.055 -1.799 1.00 0.00 C ATOM 62 O CYS A 4 7.287 0.274 -2.309 1.00 0.00 O ATOM 63 CB CYS A 4 4.242 1.005 -2.882 1.00 0.00 C ATOM 64 SG CYS A 4 3.920 -0.578 -3.630 1.00 0.00 S ATOM 65 H CYS A 4 5.420 2.953 -2.051 1.00 0.00 H ATOM 66 HA CYS A 4 4.457 0.569 -0.848 1.00 0.00 H ATOM 67 HB2 CYS A 4 3.290 1.474 -2.654 1.00 0.00 H ATOM 68 HB3 CYS A 4 4.762 1.604 -3.607 1.00 0.00 H ATOM 69 N PRO A 5 5.949 -1.294 -1.342 1.00 0.00 N ATOM 70 CA PRO A 5 6.918 -2.392 -1.367 1.00 0.00 C ATOM 71 C PRO A 5 6.948 -3.239 -2.649 1.00 0.00 C ATOM 72 O PRO A 5 7.958 -3.898 -2.921 1.00 0.00 O ATOM 73 CB PRO A 5 6.390 -3.209 -0.197 1.00 0.00 C ATOM 74 CG PRO A 5 4.923 -3.159 -0.398 1.00 0.00 C ATOM 75 CD PRO A 5 4.668 -1.726 -0.690 1.00 0.00 C ATOM 76 HA PRO A 5 7.907 -2.048 -1.146 1.00 0.00 H ATOM 77 HB2 PRO A 5 6.772 -4.217 -0.227 1.00 0.00 H ATOM 78 HB3 PRO A 5 6.641 -2.715 0.726 1.00 0.00 H ATOM 79 HG2 PRO A 5 4.645 -3.767 -1.251 1.00 0.00 H ATOM 80 HG3 PRO A 5 4.399 -3.462 0.491 1.00 0.00 H ATOM 81 HD2 PRO A 5 3.829 -1.615 -1.364 1.00 0.00 H ATOM 82 HD3 PRO A 5 4.500 -1.182 0.227 1.00 0.00 H ATOM 83 N GLU A 6 5.861 -3.224 -3.432 1.00 0.00 N ATOM 84 CA GLU A 6 5.820 -4.064 -4.653 1.00 0.00 C ATOM 85 C GLU A 6 5.434 -3.282 -5.907 1.00 0.00 C ATOM 86 O GLU A 6 5.712 -3.739 -7.021 1.00 0.00 O ATOM 87 CB GLU A 6 4.910 -5.307 -4.508 1.00 0.00 C ATOM 88 CG GLU A 6 4.699 -5.795 -3.080 1.00 0.00 C ATOM 89 CD GLU A 6 4.349 -7.269 -3.015 1.00 0.00 C ATOM 90 OE1 GLU A 6 3.144 -7.597 -3.049 1.00 0.00 O ATOM 91 OE2 GLU A 6 5.280 -8.097 -2.929 1.00 0.00 O1- ATOM 92 H GLU A 6 5.105 -2.616 -3.206 1.00 0.00 H ATOM 93 HA GLU A 6 6.825 -4.419 -4.800 1.00 0.00 H ATOM 94 HB2 GLU A 6 3.946 -5.088 -4.932 1.00 0.00 H ATOM 95 HB3 GLU A 6 5.351 -6.118 -5.072 1.00 0.00 H ATOM 96 HG2 GLU A 6 5.603 -5.627 -2.516 1.00 0.00 H ATOM 97 HG3 GLU A 6 3.890 -5.231 -2.642 1.00 0.00 H ATOM 98 N CYS A 7 4.802 -2.117 -5.737 1.00 0.00 N ATOM 99 CA CYS A 7 4.423 -1.291 -6.895 1.00 0.00 C ATOM 100 C CYS A 7 4.709 0.205 -6.664 1.00 0.00 C ATOM 101 O CYS A 7 4.107 0.822 -5.794 1.00 0.00 O ATOM 102 CB CYS A 7 2.979 -1.511 -7.390 1.00 0.00 C ATOM 103 SG CYS A 7 1.668 -0.553 -6.580 1.00 0.00 S ATOM 104 H CYS A 7 4.634 -1.797 -4.821 1.00 0.00 H ATOM 105 HA CYS A 7 5.071 -1.622 -7.678 1.00 0.00 H ATOM 106 HB2 CYS A 7 2.944 -1.236 -8.428 1.00 0.00 H ATOM 107 HB3 CYS A 7 2.732 -2.556 -7.292 1.00 0.00 H ATOM 108 N PRO A 8 5.629 0.804 -7.477 1.00 0.00 N ATOM 109 CA PRO A 8 6.050 2.231 -7.397 1.00 0.00 C ATOM 110 C PRO A 8 4.910 3.269 -7.457 1.00 0.00 C ATOM 111 O PRO A 8 5.018 4.298 -8.138 1.00 0.00 O ATOM 112 CB PRO A 8 6.980 2.389 -8.609 1.00 0.00 C ATOM 113 CG PRO A 8 7.482 1.024 -8.889 1.00 0.00 C ATOM 114 CD PRO A 8 6.355 0.101 -8.537 1.00 0.00 C ATOM 115 HA PRO A 8 6.622 2.406 -6.497 1.00 0.00 H ATOM 116 HB2 PRO A 8 6.421 2.778 -9.452 1.00 0.00 H ATOM 117 HB3 PRO A 8 7.801 3.046 -8.369 1.00 0.00 H ATOM 118 HG2 PRO A 8 7.738 0.933 -9.937 1.00 0.00 H ATOM 119 HG3 PRO A 8 8.340 0.810 -8.270 1.00 0.00 H ATOM 120 HD2 PRO A 8 5.706 -0.054 -9.379 1.00 0.00 H ATOM 121 HD3 PRO A 8 6.733 -0.838 -8.165 1.00 0.00 H ATOM 122 N LYS A 9 3.827 2.999 -6.718 1.00 0.00 N ATOM 123 CA LYS A 9 2.689 3.904 -6.614 1.00 0.00 C ATOM 124 C LYS A 9 3.040 5.159 -5.800 1.00 0.00 C ATOM 125 O LYS A 9 2.623 6.251 -6.182 1.00 0.00 O ATOM 126 CB LYS A 9 1.455 3.149 -6.089 1.00 0.00 C ATOM 127 CG LYS A 9 0.198 3.333 -6.945 1.00 0.00 C ATOM 128 CD LYS A 9 -0.426 4.723 -6.810 1.00 0.00 C ATOM 129 CE LYS A 9 -1.319 5.048 -7.996 1.00 0.00 C ATOM 130 NZ LYS A 9 -1.926 6.403 -7.881 1.00 0.00 N1+ ATOM 131 H LYS A 9 3.784 2.146 -6.239 1.00 0.00 H ATOM 132 HA LYS A 9 2.479 4.241 -7.555 1.00 0.00 H ATOM 133 HB2 LYS A 9 1.687 2.094 -6.067 1.00 0.00 H ATOM 134 HB3 LYS A 9 1.242 3.474 -5.090 1.00 0.00 H ATOM 135 HG2 LYS A 9 0.456 3.175 -7.980 1.00 0.00 H ATOM 136 HG3 LYS A 9 -0.532 2.598 -6.646 1.00 0.00 H ATOM 137 HD2 LYS A 9 -1.024 4.754 -5.911 1.00 0.00 H ATOM 138 HD3 LYS A 9 0.361 5.459 -6.750 1.00 0.00 H ATOM 139 HE2 LYS A 9 -0.728 5.004 -8.899 1.00 0.00 H ATOM 140 HE3 LYS A 9 -2.108 4.312 -8.049 1.00 0.00 H ATOM 141 HZ1 LYS A 9 -1.180 7.126 -7.837 1.00 0.00 H ATOM 142 HZ2 LYS A 9 -2.503 6.463 -7.019 1.00 0.00 H ATOM 143 HZ3 LYS A 9 -2.532 6.594 -8.705 1.00 0.00 H HETATM 144 N MMO A 10 3.823 5.010 -4.683 1.00 0.00 N HETATM 145 CA MMO A 10 4.302 6.095 -3.805 1.00 0.00 C HETATM 146 C MMO A 10 3.422 7.343 -3.737 1.00 0.00 C HETATM 147 O MMO A 10 3.112 7.970 -4.753 1.00 0.00 O HETATM 148 CB MMO A 10 5.724 6.420 -4.306 1.00 0.00 C HETATM 149 CG MMO A 10 6.645 7.038 -3.258 1.00 0.00 C HETATM 150 CD MMO A 10 8.100 6.663 -3.512 1.00 0.00 C HETATM 151 NE MMO A 10 8.671 7.388 -4.656 1.00 0.00 N HETATM 152 CZ MMO A 10 9.942 7.281 -5.070 1.00 0.00 C HETATM 153 NH2 MMO A 10 10.350 7.984 -6.117 1.00 0.00 N HETATM 154 NH1 MMO A 10 10.804 6.478 -4.449 1.00 0.00 N HETATM 155 CN MMO A 10 4.179 3.663 -4.231 1.00 0.00 C HETATM 156 HA MMO A 10 4.351 5.673 -2.833 1.00 0.00 H HETATM 157 HCB1 MMO A 10 5.652 7.103 -5.140 1.00 0.00 H HETATM 158 HCB2 MMO A 10 6.178 5.504 -4.643 1.00 0.00 H HETATM 159 HCG1 MMO A 10 6.355 6.681 -2.282 1.00 0.00 H HETATM 160 HCG2 MMO A 10 6.549 8.114 -3.293 1.00 0.00 H HETATM 161 HCD1 MMO A 10 8.153 5.600 -3.710 1.00 0.00 H HETATM 162 HCD2 MMO A 10 8.676 6.893 -2.630 1.00 0.00 H HETATM 163 HH21 MMO A 10 9.712 8.590 -6.592 1.00 0.00 H HETATM 164 HH22 MMO A 10 11.296 7.909 -6.432 1.00 0.00 H HETATM 165 HH11 MMO A 10 11.747 6.410 -4.773 1.00 0.00 H HETATM 166 HC1 MMO A 10 3.943 3.558 -3.184 1.00 0.00 H HETATM 167 HC2 MMO A 10 5.235 3.498 -4.389 1.00 0.00 H HETATM 168 HC3 MMO A 10 3.608 2.944 -4.804 1.00 0.00 H HETATM 169 HE MMO A 10 8.074 7.992 -5.145 1.00 0.00 H HETATM 170 HH12 MMO A 10 10.508 5.941 -3.658 1.00 0.00 H ATOM 171 N PHE A 11 3.076 7.717 -2.504 1.00 0.00 N ATOM 172 CA PHE A 11 2.153 8.813 -2.254 1.00 0.00 C ATOM 173 C PHE A 11 2.735 9.810 -1.257 1.00 0.00 C ATOM 174 O PHE A 11 3.331 10.813 -1.665 1.00 0.00 O ATOM 175 CB PHE A 11 0.810 8.195 -1.765 1.00 0.00 C ATOM 176 CG PHE A 11 0.737 6.701 -2.033 1.00 0.00 C ATOM 177 CD1 PHE A 11 0.746 5.769 -1.003 1.00 0.00 C ATOM 178 CD2 PHE A 11 0.709 6.231 -3.339 1.00 0.00 C ATOM 179 CE1 PHE A 11 0.727 4.420 -1.282 1.00 0.00 C ATOM 180 CE2 PHE A 11 0.701 4.896 -3.611 1.00 0.00 C ATOM 181 CZ PHE A 11 0.713 3.987 -2.605 1.00 0.00 C ATOM 182 H PHE A 11 3.464 7.248 -1.737 1.00 0.00 H ATOM 183 HA PHE A 11 1.983 9.320 -3.192 1.00 0.00 H ATOM 184 HB2 PHE A 11 0.710 8.352 -0.702 1.00 0.00 H ATOM 185 HB3 PHE A 11 -0.013 8.670 -2.278 1.00 0.00 H ATOM 186 HD1 PHE A 11 0.792 6.095 0.026 1.00 0.00 H ATOM 187 HD2 PHE A 11 0.708 6.935 -4.151 1.00 0.00 H ATOM 188 HE1 PHE A 11 0.725 3.716 -0.469 1.00 0.00 H ATOM 189 HE2 PHE A 11 0.730 4.552 -4.636 1.00 0.00 H ATOM 190 HZ PHE A 11 0.701 2.933 -2.859 1.00 0.00 H HETATM 191 N NLE A 12 2.570 9.529 0.047 1.00 0.00 N HETATM 192 CA NLE A 12 3.068 10.401 1.119 1.00 0.00 C HETATM 193 C NLE A 12 2.778 9.796 2.499 1.00 0.00 C HETATM 194 O NLE A 12 3.240 10.328 3.515 1.00 0.00 O HETATM 195 CB NLE A 12 2.423 11.798 1.024 1.00 0.00 C HETATM 196 CG NLE A 12 3.236 12.914 1.677 1.00 0.00 C HETATM 197 CD NLE A 12 2.387 13.716 2.649 1.00 0.00 C HETATM 198 CE NLE A 12 3.219 14.795 3.305 1.00 0.00 C HETATM 199 H NLE A 12 2.101 8.706 0.294 1.00 0.00 H HETATM 200 HA NLE A 12 4.137 10.497 0.999 1.00 0.00 H HETATM 201 HB2 NLE A 12 1.454 11.761 1.499 1.00 0.00 H HETATM 202 HB3 NLE A 12 2.290 12.038 -0.021 1.00 0.00 H HETATM 203 HG2 NLE A 12 3.611 13.576 0.910 1.00 0.00 H HETATM 204 HG3 NLE A 12 4.063 12.477 2.215 1.00 0.00 H HETATM 205 HD2 NLE A 12 2.002 13.058 3.415 1.00 0.00 H HETATM 206 HD3 NLE A 12 1.572 14.181 2.116 1.00 0.00 H HETATM 207 HE1 NLE A 12 4.039 14.341 3.843 1.00 0.00 H HETATM 208 HE2 NLE A 12 2.604 15.356 3.993 1.00 0.00 H HETATM 209 HE3 NLE A 12 3.611 15.458 2.548 1.00 0.00 H ATOM 210 N ARG A 13 2.024 8.685 2.535 1.00 0.00 N ATOM 211 CA ARG A 13 1.676 8.055 3.803 1.00 0.00 C ATOM 212 C ARG A 13 1.987 6.573 3.774 1.00 0.00 C ATOM 213 O ARG A 13 1.733 5.894 2.773 1.00 0.00 O ATOM 214 CB ARG A 13 0.202 8.292 4.132 1.00 0.00 C ATOM 215 CG ARG A 13 -0.018 9.451 5.094 1.00 0.00 C ATOM 216 CD ARG A 13 -1.497 9.753 5.290 1.00 0.00 C ATOM 217 NE ARG A 13 -2.073 10.473 4.148 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.979 11.457 4.242 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.434 11.863 5.427 1.00 0.00 N1+ ATOM 220 NH2 ARG A 13 -3.432 12.038 3.140 1.00 0.00 N ATOM 221 H ARG A 13 1.720 8.266 1.689 1.00 0.00 H ATOM 222 HA ARG A 13 2.281 8.515 4.570 1.00 0.00 H ATOM 223 HB2 ARG A 13 -0.328 8.508 3.217 1.00 0.00 H ATOM 224 HB3 ARG A 13 -0.209 7.398 4.577 1.00 0.00 H ATOM 225 HG2 ARG A 13 0.415 9.198 6.050 1.00 0.00 H ATOM 226 HG3 ARG A 13 0.469 10.330 4.698 1.00 0.00 H ATOM 227 HD2 ARG A 13 -2.025 8.820 5.420 1.00 0.00 H ATOM 228 HD3 ARG A 13 -1.612 10.356 6.178 1.00 0.00 H ATOM 229 HE ARG A 13 -1.769 10.208 3.254 1.00 0.00 H ATOM 230 HH11 ARG A 13 -3.099 11.433 6.264 1.00 0.00 H ATOM 231 HH12 ARG A 13 -4.108 12.600 5.477 1.00 0.00 H ATOM 232 HH21 ARG A 13 -4.107 12.774 3.203 1.00 0.00 H ATOM 233 HH22 ARG A 13 -3.098 11.742 2.245 1.00 0.00 H ATOM 234 N SER A 14 2.539 6.081 4.884 1.00 0.00 N ATOM 235 CA SER A 14 2.908 4.676 5.007 1.00 0.00 C ATOM 236 C SER A 14 1.754 3.845 5.575 1.00 0.00 C ATOM 237 O SER A 14 1.520 2.723 5.124 1.00 0.00 O ATOM 238 CB SER A 14 4.148 4.527 5.892 1.00 0.00 C ATOM 239 OG SER A 14 4.706 3.228 5.782 1.00 0.00 O ATOM 240 H SER A 14 2.699 6.683 5.641 1.00 0.00 H ATOM 241 HA SER A 14 3.139 4.321 4.012 1.00 0.00 H ATOM 242 HB2 SER A 14 4.892 5.250 5.594 1.00 0.00 H ATOM 243 HB3 SER A 14 3.874 4.701 6.923 1.00 0.00 H ATOM 244 HG SER A 14 4.648 2.781 6.631 1.00 0.00 H HETATM 245 OE1 B3D A 15 1.138 1.562 9.410 1.00 0.00 O HETATM 246 CD B3D A 15 1.351 2.741 9.055 1.00 0.00 C HETATM 247 OE2 B3D A 15 2.495 3.237 8.981 1.00 0.00 O HETATM 248 CG B3D A 15 0.159 3.615 8.699 1.00 0.00 C HETATM 249 CB B3D A 15 -0.071 3.720 7.177 1.00 0.00 C HETATM 250 N B3D A 15 1.047 4.400 6.570 1.00 0.00 N HETATM 251 CA B3D A 15 -1.377 4.500 6.975 1.00 0.00 C HETATM 252 C B3D A 15 -2.085 4.150 5.695 1.00 0.00 C HETATM 253 O B3D A 15 -2.595 3.025 5.526 1.00 0.00 O HETATM 254 HG3 B3D A 15 0.332 4.602 9.100 1.00 0.00 H HETATM 255 HG2 B3D A 15 -0.720 3.193 9.163 1.00 0.00 H HETATM 256 HB B3D A 15 -0.132 2.731 6.678 1.00 0.00 H HETATM 257 H B3D A 15 1.296 5.292 6.893 1.00 0.00 H HETATM 258 HA1 B3D A 15 -1.156 5.556 6.960 1.00 0.00 H HETATM 259 HA2 B3D A 15 -2.046 4.292 7.797 1.00 0.00 H ATOM 260 N HIS A 16 -2.088 5.124 4.767 1.00 0.00 N ATOM 261 CA HIS A 16 -2.719 4.974 3.450 1.00 0.00 C ATOM 262 C HIS A 16 -2.109 3.814 2.669 1.00 0.00 C ATOM 263 O HIS A 16 -2.826 3.106 1.965 1.00 0.00 O ATOM 264 CB HIS A 16 -2.601 6.269 2.646 1.00 0.00 C ATOM 265 CG HIS A 16 -3.655 7.278 2.983 1.00 0.00 C ATOM 266 ND1 HIS A 16 -3.819 7.807 4.247 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.611 7.850 2.212 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.829 8.658 4.239 1.00 0.00 C ATOM 269 NE2 HIS A 16 -5.326 8.703 3.017 1.00 0.00 N ATOM 270 H HIS A 16 -1.649 5.975 4.980 1.00 0.00 H ATOM 271 HA HIS A 16 -3.766 4.763 3.613 1.00 0.00 H ATOM 272 HB2 HIS A 16 -1.639 6.715 2.838 1.00 0.00 H ATOM 273 HB3 HIS A 16 -2.683 6.040 1.593 1.00 0.00 H ATOM 274 HD1 HIS A 16 -3.275 7.589 5.033 1.00 0.00 H ATOM 275 HD2 HIS A 16 -4.779 7.669 1.160 1.00 0.00 H ATOM 276 HE1 HIS A 16 -5.187 9.223 5.087 1.00 0.00 H ATOM 277 HE2 HIS A 16 -6.137 9.187 2.754 1.00 0.00 H ATOM 278 N LEU A 17 -0.778 3.638 2.784 1.00 0.00 N ATOM 279 CA LEU A 17 -0.086 2.534 2.131 1.00 0.00 C ATOM 280 C LEU A 17 -0.357 1.208 2.839 1.00 0.00 C ATOM 281 O LEU A 17 -0.384 0.178 2.189 1.00 0.00 O ATOM 282 CB LEU A 17 1.433 2.751 2.055 1.00 0.00 C ATOM 283 CG LEU A 17 2.233 1.536 1.535 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.156 1.409 0.019 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.666 1.601 1.997 1.00 0.00 C ATOM 286 H LEU A 17 -0.254 4.285 3.279 1.00 0.00 H ATOM 287 HA LEU A 17 -0.482 2.471 1.128 1.00 0.00 H ATOM 288 HB2 LEU A 17 1.632 3.597 1.418 1.00 0.00 H ATOM 289 HB3 LEU A 17 1.783 2.980 3.046 1.00 0.00 H ATOM 290 HG LEU A 17 1.798 0.641 1.953 1.00 0.00 H ATOM 291 HD11 LEU A 17 2.794 2.150 -0.455 1.00 0.00 H ATOM 292 HD12 LEU A 17 1.131 1.560 -0.293 1.00 0.00 H ATOM 293 HD13 LEU A 17 2.471 0.406 -0.281 1.00 0.00 H ATOM 294 HD21 LEU A 17 3.692 1.681 3.073 1.00 0.00 H ATOM 295 HD22 LEU A 17 4.148 2.460 1.554 1.00 0.00 H ATOM 296 HD23 LEU A 17 4.178 0.699 1.689 1.00 0.00 H ATOM 297 N SER A 18 -0.489 1.232 4.174 1.00 0.00 N ATOM 298 CA SER A 18 -0.781 0.012 4.940 1.00 0.00 C ATOM 299 C SER A 18 -2.071 -0.627 4.425 1.00 0.00 C ATOM 300 O SER A 18 -2.063 -1.775 3.972 1.00 0.00 O ATOM 301 CB SER A 18 -0.887 0.308 6.440 1.00 0.00 C ATOM 302 OG SER A 18 0.356 0.743 6.961 1.00 0.00 O ATOM 303 H SER A 18 -0.354 2.077 4.650 1.00 0.00 H ATOM 304 HA SER A 18 0.033 -0.680 4.774 1.00 0.00 H ATOM 305 HB2 SER A 18 -1.625 1.078 6.604 1.00 0.00 H ATOM 306 HB3 SER A 18 -1.185 -0.591 6.961 1.00 0.00 H ATOM 307 HG SER A 18 0.763 0.030 7.458 1.00 0.00 H HETATM 308 N B3K A 19 -3.161 0.147 4.443 1.00 0.00 N HETATM 309 CB B3K A 19 -4.425 -0.337 3.955 1.00 0.00 C HETATM 310 CG B3K A 19 -5.506 -0.137 5.040 1.00 0.00 C HETATM 311 CD B3K A 19 -5.320 -1.012 6.274 1.00 0.00 C HETATM 312 CE B3K A 19 -6.406 -0.755 7.308 1.00 0.00 C HETATM 313 CF B3K A 19 -6.234 -1.634 8.540 1.00 0.00 C HETATM 314 NZ B3K A 19 -5.091 -1.193 9.391 1.00 0.00 N HETATM 315 CA B3K A 19 -4.866 0.463 2.725 1.00 0.00 C HETATM 316 C B3K A 19 -4.293 -0.032 1.420 1.00 0.00 C HETATM 317 O B3K A 19 -4.730 -1.058 0.873 1.00 0.00 O HETATM 318 H B3K A 19 -3.095 1.070 4.799 1.00 0.00 H HETATM 319 HB B3K A 19 -4.263 -1.403 3.687 1.00 0.00 H HETATM 320 HG2 B3K A 19 -6.473 -0.363 4.615 1.00 0.00 H HETATM 321 HG3 B3K A 19 -5.496 0.895 5.356 1.00 0.00 H HETATM 322 HD2 B3K A 19 -4.357 -0.796 6.714 1.00 0.00 H HETATM 323 HD3 B3K A 19 -5.357 -2.049 5.977 1.00 0.00 H HETATM 324 HE2 B3K A 19 -7.368 -0.961 6.862 1.00 0.00 H HETATM 325 HE3 B3K A 19 -6.363 0.280 7.611 1.00 0.00 H HETATM 326 HF1 B3K A 19 -6.059 -2.650 8.217 1.00 0.00 H HETATM 327 HF2 B3K A 19 -7.140 -1.594 9.124 1.00 0.00 H HETATM 328 HNZ1 B3K A 19 -4.205 -1.232 8.848 1.00 0.00 H HETATM 329 HNZ2 B3K A 19 -5.003 -1.814 10.221 1.00 0.00 H HETATM 330 HA1 B3K A 19 -5.942 0.424 2.650 1.00 0.00 H HETATM 331 HA2 B3K A 19 -4.562 1.490 2.854 1.00 0.00 H HETATM 332 HZ3 B3K A 19 -5.244 -0.217 9.717 1.00 0.00 H ATOM 333 N HIS A 20 -3.247 0.671 0.948 1.00 0.00 N ATOM 334 CA HIS A 20 -2.595 0.391 -0.324 1.00 0.00 C ATOM 335 C HIS A 20 -2.076 -1.052 -0.454 1.00 0.00 C ATOM 336 O HIS A 20 -2.168 -1.669 -1.516 1.00 0.00 O ATOM 337 CB HIS A 20 -1.444 1.348 -0.510 1.00 0.00 C ATOM 338 CG HIS A 20 -0.766 1.131 -1.801 1.00 0.00 C ATOM 339 ND1 HIS A 20 -1.175 1.683 -2.988 1.00 0.00 N ATOM 340 CD2 HIS A 20 0.250 0.305 -2.091 1.00 0.00 C ATOM 341 CE1 HIS A 20 -0.409 1.165 -3.946 1.00 0.00 C ATOM 342 NE2 HIS A 20 0.474 0.336 -3.437 1.00 0.00 N ATOM 343 H HIS A 20 -2.869 1.388 1.500 1.00 0.00 H ATOM 344 HA HIS A 20 -3.285 0.595 -1.106 1.00 0.00 H ATOM 345 HB2 HIS A 20 -1.806 2.367 -0.474 1.00 0.00 H ATOM 346 HB3 HIS A 20 -0.731 1.180 0.276 1.00 0.00 H ATOM 347 HD1 HIS A 20 -1.896 2.335 -3.109 1.00 0.00 H ATOM 348 HD2 HIS A 20 0.765 -0.353 -1.386 1.00 0.00 H ATOM 349 HE1 HIS A 20 -0.547 1.337 -4.993 1.00 0.00 H ATOM 350 N ILE A 21 -1.483 -1.551 0.609 1.00 0.00 N ATOM 351 CA ILE A 21 -0.911 -2.876 0.600 1.00 0.00 C ATOM 352 C ILE A 21 -1.836 -3.909 1.243 1.00 0.00 C ATOM 353 O ILE A 21 -1.600 -5.111 1.129 1.00 0.00 O ATOM 354 CB ILE A 21 0.525 -2.882 1.195 1.00 0.00 C ATOM 355 CG1 ILE A 21 0.561 -2.670 2.720 1.00 0.00 C ATOM 356 CG2 ILE A 21 1.370 -1.855 0.501 1.00 0.00 C ATOM 357 CD1 ILE A 21 0.675 -3.956 3.512 1.00 0.00 C ATOM 358 H ILE A 21 -1.411 -1.012 1.407 1.00 0.00 H ATOM 359 HA ILE A 21 -0.821 -3.141 -0.438 1.00 0.00 H ATOM 360 HB ILE A 21 0.962 -3.802 0.950 1.00 0.00 H ATOM 361 HG12 ILE A 21 1.409 -2.052 2.971 1.00 0.00 H ATOM 362 HG13 ILE A 21 -0.346 -2.171 3.027 1.00 0.00 H ATOM 363 HG21 ILE A 21 0.862 -0.907 0.537 1.00 0.00 H ATOM 364 HG22 ILE A 21 1.511 -2.162 -0.525 1.00 0.00 H ATOM 365 HG23 ILE A 21 2.324 -1.779 0.994 1.00 0.00 H ATOM 366 HD11 ILE A 21 1.584 -4.471 3.233 1.00 0.00 H ATOM 367 HD12 ILE A 21 -0.176 -4.587 3.299 1.00 0.00 H ATOM 368 HD13 ILE A 21 0.700 -3.729 4.567 1.00 0.00 H HETATM 369 N B3K A 22 -2.851 -3.421 1.956 1.00 0.00 N HETATM 370 CB B3K A 22 -3.848 -4.267 2.529 1.00 0.00 C HETATM 371 CG B3K A 22 -3.898 -4.040 4.052 1.00 0.00 C HETATM 372 CD B3K A 22 -3.731 -5.315 4.862 1.00 0.00 C HETATM 373 CE B3K A 22 -3.729 -5.031 6.356 1.00 0.00 C HETATM 374 CF B3K A 22 -3.525 -6.301 7.164 1.00 0.00 C HETATM 375 NZ B3K A 22 -3.501 -6.030 8.628 1.00 0.00 N HETATM 376 CA B3K A 22 -5.233 -3.894 1.971 1.00 0.00 C HETATM 377 C B3K A 22 -5.400 -4.079 0.470 1.00 0.00 C HETATM 378 O B3K A 22 -6.293 -4.828 0.038 1.00 0.00 O HETATM 379 H B3K A 22 -2.890 -2.454 2.132 1.00 0.00 H HETATM 380 HB B3K A 22 -3.574 -5.307 2.247 1.00 0.00 H HETATM 381 HG2 B3K A 22 -4.849 -3.599 4.309 1.00 0.00 H HETATM 382 HG3 B3K A 22 -3.107 -3.357 4.329 1.00 0.00 H HETATM 383 HD2 B3K A 22 -2.794 -5.781 4.593 1.00 0.00 H HETATM 384 HD3 B3K A 22 -4.546 -5.985 4.635 1.00 0.00 H HETATM 385 HE2 B3K A 22 -4.676 -4.590 6.629 1.00 0.00 H HETATM 386 HE3 B3K A 22 -2.930 -4.341 6.580 1.00 0.00 H HETATM 387 HF1 B3K A 22 -2.586 -6.750 6.875 1.00 0.00 H HETATM 388 HF2 B3K A 22 -4.332 -6.985 6.948 1.00 0.00 H HETATM 389 HNZ1 B3K A 22 -2.728 -5.373 8.857 1.00 0.00 H HETATM 390 HNZ2 B3K A 22 -3.354 -6.915 9.154 1.00 0.00 H HETATM 391 HA1 B3K A 22 -5.427 -2.856 2.198 1.00 0.00 H HETATM 392 HA2 B3K A 22 -5.977 -4.502 2.464 1.00 0.00 H HETATM 393 HZ3 B3K A 22 -4.402 -5.607 8.928 1.00 0.00 H ATOM 394 N THR A 23 -4.530 -3.424 -0.345 1.00 0.00 N ATOM 395 CA THR A 23 -4.638 -3.526 -1.807 1.00 0.00 C ATOM 396 C THR A 23 -3.653 -4.554 -2.337 1.00 0.00 C ATOM 397 O THR A 23 -4.025 -5.388 -3.170 1.00 0.00 O ATOM 398 CB THR A 23 -4.463 -2.164 -2.538 1.00 0.00 C ATOM 399 OG1 THR A 23 -5.076 -1.115 -1.777 1.00 0.00 O ATOM 400 CG2 THR A 23 -5.095 -2.203 -3.923 1.00 0.00 C ATOM 401 H THR A 23 -3.779 -2.904 0.050 1.00 0.00 H ATOM 402 HA THR A 23 -5.630 -3.893 -2.016 1.00 0.00 H ATOM 403 HB THR A 23 -3.402 -1.947 -2.650 1.00 0.00 H ATOM 404 HG1 THR A 23 -4.633 -0.284 -1.962 1.00 0.00 H ATOM 405 HG21 THR A 23 -4.670 -3.022 -4.484 1.00 0.00 H ATOM 406 HG22 THR A 23 -4.898 -1.273 -4.434 1.00 0.00 H ATOM 407 HG23 THR A 23 -6.161 -2.345 -3.828 1.00 0.00 H ATOM 408 N HIS A 24 -2.396 -4.499 -1.865 1.00 0.00 N ATOM 409 CA HIS A 24 -1.390 -5.503 -2.260 1.00 0.00 C ATOM 410 C HIS A 24 -1.830 -6.863 -1.776 1.00 0.00 C ATOM 411 O HIS A 24 -1.511 -7.911 -2.345 1.00 0.00 O ATOM 412 CB HIS A 24 -0.015 -5.171 -1.703 1.00 0.00 C ATOM 413 CG HIS A 24 0.760 -4.227 -2.557 1.00 0.00 C ATOM 414 ND1 HIS A 24 1.771 -4.604 -3.428 1.00 0.00 N ATOM 415 CD2 HIS A 24 0.622 -2.891 -2.719 1.00 0.00 C ATOM 416 CE1 HIS A 24 2.173 -3.503 -4.068 1.00 0.00 C ATOM 417 NE2 HIS A 24 1.505 -2.481 -3.686 1.00 0.00 N ATOM 418 H HIS A 24 -2.138 -3.760 -1.268 1.00 0.00 H ATOM 419 HA HIS A 24 -1.377 -5.517 -3.309 1.00 0.00 H ATOM 420 HB2 HIS A 24 -0.149 -4.717 -0.732 1.00 0.00 H ATOM 421 HB3 HIS A 24 0.556 -6.080 -1.596 1.00 0.00 H ATOM 422 HD1 HIS A 24 2.155 -5.498 -3.527 1.00 0.00 H ATOM 423 HD2 HIS A 24 0.032 -2.218 -2.104 1.00 0.00 H ATOM 424 HE1 HIS A 24 3.004 -3.431 -4.751 1.00 0.00 H HETATM 425 N B3Q A 25 -2.567 -6.771 -0.708 1.00 0.00 N HETATM 426 CB B3Q A 25 -3.213 -7.871 -0.064 1.00 0.00 C HETATM 427 CG B3Q A 25 -2.585 -8.209 1.297 1.00 0.00 C HETATM 428 CA B3Q A 25 -4.619 -7.357 0.114 1.00 0.00 C HETATM 429 C B3Q A 25 -5.722 -8.341 -0.204 1.00 0.00 C HETATM 430 O B3Q A 25 -5.528 -9.563 -0.188 1.00 0.00 O HETATM 431 HN B3Q A 25 -2.701 -5.861 -0.332 1.00 0.00 H HETATM 432 HB B3Q A 25 -3.202 -8.728 -0.730 1.00 0.00 H HETATM 433 HG B3Q A 25 -3.222 -8.918 1.805 1.00 0.00 H HETATM 434 HGA B3Q A 25 -2.528 -7.306 1.885 1.00 0.00 H HETATM 435 CD B3Q A 25 -1.183 -8.803 1.202 1.00 0.00 C HETATM 436 HA B3Q A 25 -4.743 -7.011 1.126 1.00 0.00 H HETATM 437 HAA B3Q A 25 -4.713 -6.508 -0.571 1.00 0.00 H HETATM 438 CE B3Q A 25 -0.117 -7.862 1.734 1.00 0.00 C HETATM 439 NF2 B3Q A 25 0.420 -7.021 0.858 1.00 0.00 N HETATM 440 H8 B3Q A 25 -0.967 -9.019 0.167 1.00 0.00 H HETATM 441 OF1 B3Q A 25 0.217 -7.891 2.918 1.00 0.00 O HETATM 442 H9 B3Q A 25 -1.150 -9.718 1.776 1.00 0.00 H HETATM 443 H11 B3Q A 25 0.104 -7.053 -0.069 1.00 0.00 H HETATM 444 H12 B3Q A 25 1.111 -6.401 1.175 1.00 0.00 H ATOM 445 N ASN A 26 -6.900 -7.775 -0.486 1.00 0.00 N ATOM 446 CA ASN A 26 -8.089 -8.561 -0.824 1.00 0.00 C ATOM 447 C ASN A 26 -8.268 -8.654 -2.337 1.00 0.00 C ATOM 448 O ASN A 26 -7.905 -7.728 -3.069 1.00 0.00 O ATOM 449 CB ASN A 26 -9.340 -7.942 -0.190 1.00 0.00 C ATOM 450 CG ASN A 26 -9.370 -8.102 1.320 1.00 0.00 C ATOM 451 OD1 ASN A 26 -8.872 -7.249 2.056 1.00 0.00 O ATOM 452 ND2 ASN A 26 -9.956 -9.198 1.788 1.00 0.00 N ATOM 453 H ASN A 26 -6.968 -6.789 -0.458 1.00 0.00 H ATOM 454 HA ASN A 26 -7.951 -9.556 -0.428 1.00 0.00 H ATOM 455 HB2 ASN A 26 -9.368 -6.888 -0.421 1.00 0.00 H ATOM 456 HB3 ASN A 26 -10.217 -8.420 -0.601 1.00 0.00 H ATOM 457 HD21 ASN A 26 -10.330 -9.834 1.143 1.00 0.00 H ATOM 458 HD22 ASN A 26 -9.989 -9.326 2.759 1.00 0.00 H ATOM 459 N LYS A 27 -8.828 -9.779 -2.791 1.00 0.00 N ATOM 460 CA LYS A 27 -9.064 -10.016 -4.216 1.00 0.00 C ATOM 461 C LYS A 27 -10.514 -9.700 -4.584 1.00 0.00 C ATOM 462 O LYS A 27 -11.435 -10.003 -3.821 1.00 0.00 O ATOM 463 CB LYS A 27 -8.729 -11.469 -4.572 1.00 0.00 C ATOM 464 CG LYS A 27 -8.214 -11.656 -5.994 1.00 0.00 C ATOM 465 CD LYS A 27 -7.889 -13.113 -6.281 1.00 0.00 C ATOM 466 CE LYS A 27 -7.364 -13.298 -7.696 1.00 0.00 C ATOM 467 NZ LYS A 27 -7.039 -14.721 -7.987 1.00 0.00 N1+ ATOM 468 H LYS A 27 -9.093 -10.470 -2.148 1.00 0.00 H ATOM 469 HA LYS A 27 -8.412 -9.358 -4.773 1.00 0.00 H ATOM 470 HB2 LYS A 27 -7.972 -11.828 -3.890 1.00 0.00 H ATOM 471 HB3 LYS A 27 -9.619 -12.069 -4.454 1.00 0.00 H ATOM 472 HG2 LYS A 27 -8.970 -11.323 -6.687 1.00 0.00 H ATOM 473 HG3 LYS A 27 -7.319 -11.065 -6.122 1.00 0.00 H ATOM 474 HD2 LYS A 27 -7.137 -13.449 -5.583 1.00 0.00 H ATOM 475 HD3 LYS A 27 -8.786 -13.702 -6.160 1.00 0.00 H ATOM 476 HE2 LYS A 27 -8.116 -12.960 -8.393 1.00 0.00 H ATOM 477 HE3 LYS A 27 -6.471 -12.702 -7.815 1.00 0.00 H ATOM 478 HZ1 LYS A 27 -6.311 -15.065 -7.327 1.00 0.00 H ATOM 479 HZ2 LYS A 27 -6.681 -14.815 -8.959 1.00 0.00 H ATOM 480 HZ3 LYS A 27 -7.890 -15.310 -7.886 1.00 0.00 H ATOM 481 N LYS A 28 -10.697 -9.091 -5.760 1.00 0.00 N ATOM 482 CA LYS A 28 -12.028 -8.724 -6.252 1.00 0.00 C ATOM 483 C LYS A 28 -12.541 -9.751 -7.265 1.00 0.00 C ATOM 484 O LYS A 28 -13.657 -10.254 -7.141 1.00 0.00 O ATOM 485 CB LYS A 28 -12.005 -7.318 -6.881 1.00 0.00 C ATOM 486 CG LYS A 28 -11.845 -6.180 -5.875 1.00 0.00 C ATOM 487 CD LYS A 28 -10.379 -5.908 -5.553 1.00 0.00 C ATOM 488 CE LYS A 28 -10.221 -4.767 -4.555 1.00 0.00 C ATOM 489 NZ LYS A 28 -10.499 -3.438 -5.170 1.00 0.00 N1+ ATOM 490 H LYS A 28 -9.915 -8.883 -6.313 1.00 0.00 H ATOM 491 HA LYS A 28 -12.697 -8.716 -5.405 1.00 0.00 H ATOM 492 HB2 LYS A 28 -11.185 -7.266 -7.580 1.00 0.00 H ATOM 493 HB3 LYS A 28 -12.931 -7.167 -7.418 1.00 0.00 H ATOM 494 HG2 LYS A 28 -12.282 -5.283 -6.287 1.00 0.00 H ATOM 495 HG3 LYS A 28 -12.360 -6.445 -4.963 1.00 0.00 H ATOM 496 HD2 LYS A 28 -9.941 -6.800 -5.133 1.00 0.00 H ATOM 497 HD3 LYS A 28 -9.862 -5.647 -6.466 1.00 0.00 H ATOM 498 HE2 LYS A 28 -10.909 -4.925 -3.738 1.00 0.00 H ATOM 499 HE3 LYS A 28 -9.209 -4.775 -4.177 1.00 0.00 H ATOM 500 HZ1 LYS A 28 -11.472 -3.410 -5.534 1.00 0.00 H ATOM 501 HZ2 LYS A 28 -9.841 -3.264 -5.956 1.00 0.00 H ATOM 502 HZ3 LYS A 28 -10.381 -2.685 -4.462 1.00 0.00 H HETATM 503 N NH2 A 29 -11.722 -10.062 -8.269 1.00 0.00 N HETATM 504 HN1 NH2 A 29 -10.847 -9.624 -8.306 1.00 0.00 H HETATM 505 HN2 NH2 A 29 -12.030 -10.717 -8.930 1.00 0.00 H TER 506 NH2 A 29 HETATM 507 ZN ZN A 101 1.806 -0.734 -4.337 1.00 0.00 ZN