ATOM 1 N LYS A 1 8.940 1.857 7.035 1.00 0.00 N ATOM 2 CA LYS A 1 9.492 2.348 5.744 1.00 0.00 C ATOM 3 C LYS A 1 8.447 3.145 4.972 1.00 0.00 C ATOM 4 O LYS A 1 7.246 2.891 5.097 1.00 0.00 O ATOM 5 CB LYS A 1 9.983 1.173 4.890 1.00 0.00 C ATOM 6 CG LYS A 1 11.272 0.542 5.393 1.00 0.00 C ATOM 7 CD LYS A 1 11.720 -0.600 4.498 1.00 0.00 C ATOM 8 CE LYS A 1 13.015 -1.223 4.995 1.00 0.00 C ATOM 9 NZ LYS A 1 13.465 -2.341 4.122 1.00 0.00 N1+ ATOM 10 H1 LYS A 1 8.119 1.243 6.862 1.00 0.00 H ATOM 11 H2 LYS A 1 8.640 2.660 7.624 1.00 0.00 H ATOM 12 H3 LYS A 1 9.663 1.315 7.551 1.00 0.00 H ATOM 13 HA LYS A 1 10.329 2.997 5.962 1.00 0.00 H ATOM 14 HB2 LYS A 1 9.218 0.411 4.875 1.00 0.00 H ATOM 15 HB3 LYS A 1 10.148 1.521 3.882 1.00 0.00 H ATOM 16 HG2 LYS A 1 12.046 1.295 5.413 1.00 0.00 H ATOM 17 HG3 LYS A 1 11.110 0.164 6.392 1.00 0.00 H ATOM 18 HD2 LYS A 1 10.951 -1.358 4.484 1.00 0.00 H ATOM 19 HD3 LYS A 1 11.874 -0.223 3.498 1.00 0.00 H ATOM 20 HE2 LYS A 1 13.780 -0.463 5.015 1.00 0.00 H ATOM 21 HE3 LYS A 1 12.857 -1.599 5.995 1.00 0.00 H ATOM 22 HZ1 LYS A 1 14.349 -2.748 4.489 1.00 0.00 H ATOM 23 HZ2 LYS A 1 13.630 -1.996 3.155 1.00 0.00 H ATOM 24 HZ3 LYS A 1 12.739 -3.086 4.092 1.00 0.00 H ATOM 25 N TYR A 2 8.919 4.106 4.172 1.00 0.00 N ATOM 26 CA TYR A 2 8.046 4.962 3.364 1.00 0.00 C ATOM 27 C TYR A 2 7.840 4.373 1.955 1.00 0.00 C ATOM 28 O TYR A 2 8.724 3.657 1.473 1.00 0.00 O ATOM 29 CB TYR A 2 8.649 6.367 3.262 1.00 0.00 C ATOM 30 CG TYR A 2 8.521 7.178 4.534 1.00 0.00 C ATOM 31 CD1 TYR A 2 7.409 7.981 4.757 1.00 0.00 C ATOM 32 CD2 TYR A 2 9.509 7.138 5.509 1.00 0.00 C ATOM 33 CE1 TYR A 2 7.287 8.722 5.917 1.00 0.00 C ATOM 34 CE2 TYR A 2 9.394 7.877 6.671 1.00 0.00 C ATOM 35 CZ TYR A 2 8.282 8.667 6.870 1.00 0.00 C ATOM 36 OH TYR A 2 8.163 9.404 8.026 1.00 0.00 O ATOM 37 H TYR A 2 9.889 4.243 4.123 1.00 0.00 H ATOM 38 HA TYR A 2 7.091 5.023 3.862 1.00 0.00 H ATOM 39 HB2 TYR A 2 9.701 6.282 3.033 1.00 0.00 H ATOM 40 HB3 TYR A 2 8.158 6.909 2.469 1.00 0.00 H ATOM 41 HD1 TYR A 2 6.631 8.021 4.009 1.00 0.00 H ATOM 42 HD2 TYR A 2 10.380 6.520 5.349 1.00 0.00 H ATOM 43 HE1 TYR A 2 6.415 9.341 6.073 1.00 0.00 H ATOM 44 HE2 TYR A 2 10.173 7.834 7.417 1.00 0.00 H ATOM 45 HH TYR A 2 7.275 9.307 8.379 1.00 0.00 H HETATM 46 N MAA A 3 6.661 4.642 1.265 1.00 0.00 N HETATM 47 CM MAA A 3 5.585 5.446 1.906 1.00 0.00 C HETATM 48 CA MAA A 3 6.382 4.124 -0.111 1.00 0.00 C HETATM 49 CB MAA A 3 7.548 4.334 -1.064 1.00 0.00 C HETATM 50 C MAA A 3 6.064 2.649 -0.120 1.00 0.00 C HETATM 51 O MAA A 3 6.366 1.908 0.817 1.00 0.00 O HETATM 52 HM1 MAA A 3 4.843 5.715 1.170 1.00 0.00 H HETATM 53 HM2 MAA A 3 6.006 6.343 2.332 1.00 0.00 H HETATM 54 HM3 MAA A 3 5.118 4.862 2.686 1.00 0.00 H HETATM 55 HA MAA A 3 5.523 4.636 -0.552 1.00 0.00 H HETATM 56 HB1 MAA A 3 7.390 3.703 -1.932 1.00 0.00 H HETATM 57 HB2 MAA A 3 8.466 4.052 -0.575 1.00 0.00 H HETATM 58 HB3 MAA A 3 7.594 5.365 -1.366 1.00 0.00 H ATOM 59 N CYS A 4 5.487 2.257 -1.243 1.00 0.00 N ATOM 60 CA CYS A 4 5.074 0.906 -1.536 1.00 0.00 C ATOM 61 C CYS A 4 6.237 -0.059 -1.708 1.00 0.00 C ATOM 62 O CYS A 4 7.296 0.296 -2.233 1.00 0.00 O ATOM 63 CB CYS A 4 4.234 0.970 -2.770 1.00 0.00 C ATOM 64 SG CYS A 4 3.902 -0.623 -3.501 1.00 0.00 S ATOM 65 H CYS A 4 5.326 2.939 -1.931 1.00 0.00 H ATOM 66 HA CYS A 4 4.468 0.526 -0.738 1.00 0.00 H ATOM 67 HB2 CYS A 4 3.288 1.443 -2.535 1.00 0.00 H ATOM 68 HB3 CYS A 4 4.749 1.565 -3.501 1.00 0.00 H ATOM 69 N PRO A 5 6.014 -1.305 -1.247 1.00 0.00 N ATOM 70 CA PRO A 5 7.012 -2.381 -1.286 1.00 0.00 C ATOM 71 C PRO A 5 7.014 -3.250 -2.554 1.00 0.00 C ATOM 72 O PRO A 5 8.020 -3.899 -2.856 1.00 0.00 O ATOM 73 CB PRO A 5 6.530 -3.191 -0.094 1.00 0.00 C ATOM 74 CG PRO A 5 5.056 -3.194 -0.277 1.00 0.00 C ATOM 75 CD PRO A 5 4.753 -1.772 -0.580 1.00 0.00 C ATOM 76 HA PRO A 5 8.001 -2.014 -1.099 1.00 0.00 H ATOM 77 HB2 PRO A 5 6.945 -4.187 -0.110 1.00 0.00 H ATOM 78 HB3 PRO A 5 6.776 -2.672 0.817 1.00 0.00 H ATOM 79 HG2 PRO A 5 4.787 -3.820 -1.124 1.00 0.00 H ATOM 80 HG3 PRO A 5 4.555 -3.503 0.622 1.00 0.00 H ATOM 81 HD2 PRO A 5 3.905 -1.694 -1.245 1.00 0.00 H ATOM 82 HD3 PRO A 5 4.576 -1.226 0.333 1.00 0.00 H ATOM 83 N GLU A 6 5.895 -3.255 -3.284 1.00 0.00 N ATOM 84 CA GLU A 6 5.779 -4.109 -4.476 1.00 0.00 C ATOM 85 C GLU A 6 5.458 -3.312 -5.751 1.00 0.00 C ATOM 86 O GLU A 6 5.766 -3.773 -6.854 1.00 0.00 O ATOM 87 CB GLU A 6 4.764 -5.245 -4.208 1.00 0.00 C ATOM 88 CG GLU A 6 4.424 -6.122 -5.414 1.00 0.00 C ATOM 89 CD GLU A 6 5.511 -7.132 -5.743 1.00 0.00 C ATOM 90 OE1 GLU A 6 6.413 -6.794 -6.537 1.00 0.00 O ATOM 91 OE2 GLU A 6 5.458 -8.258 -5.204 1.00 0.00 O1- ATOM 92 H GLU A 6 5.151 -2.644 -3.033 1.00 0.00 H ATOM 93 HA GLU A 6 6.742 -4.565 -4.617 1.00 0.00 H ATOM 94 HB2 GLU A 6 5.173 -5.888 -3.443 1.00 0.00 H ATOM 95 HB3 GLU A 6 3.850 -4.813 -3.833 1.00 0.00 H ATOM 96 HG2 GLU A 6 3.510 -6.658 -5.207 1.00 0.00 H ATOM 97 HG3 GLU A 6 4.277 -5.481 -6.271 1.00 0.00 H ATOM 98 N CYS A 7 4.851 -2.133 -5.601 1.00 0.00 N ATOM 99 CA CYS A 7 4.539 -1.285 -6.765 1.00 0.00 C ATOM 100 C CYS A 7 4.813 0.204 -6.483 1.00 0.00 C ATOM 101 O CYS A 7 4.152 0.801 -5.644 1.00 0.00 O ATOM 102 CB CYS A 7 3.120 -1.486 -7.338 1.00 0.00 C ATOM 103 SG CYS A 7 1.778 -0.534 -6.570 1.00 0.00 S ATOM 104 H CYS A 7 4.653 -1.816 -4.693 1.00 0.00 H ATOM 105 HA CYS A 7 5.226 -1.602 -7.522 1.00 0.00 H ATOM 106 HB2 CYS A 7 3.140 -1.187 -8.371 1.00 0.00 H ATOM 107 HB3 CYS A 7 2.861 -2.529 -7.276 1.00 0.00 H ATOM 108 N PRO A 8 5.787 0.824 -7.214 1.00 0.00 N ATOM 109 CA PRO A 8 6.189 2.249 -7.060 1.00 0.00 C ATOM 110 C PRO A 8 5.046 3.273 -7.214 1.00 0.00 C ATOM 111 O PRO A 8 5.190 4.295 -7.897 1.00 0.00 O ATOM 112 CB PRO A 8 7.235 2.441 -8.169 1.00 0.00 C ATOM 113 CG PRO A 8 7.746 1.081 -8.461 1.00 0.00 C ATOM 114 CD PRO A 8 6.584 0.159 -8.245 1.00 0.00 C ATOM 115 HA PRO A 8 6.664 2.407 -6.102 1.00 0.00 H ATOM 116 HB2 PRO A 8 6.766 2.876 -9.044 1.00 0.00 H ATOM 117 HB3 PRO A 8 8.037 3.074 -7.822 1.00 0.00 H ATOM 118 HG2 PRO A 8 8.090 1.028 -9.486 1.00 0.00 H ATOM 119 HG3 PRO A 8 8.545 0.831 -7.781 1.00 0.00 H ATOM 120 HD2 PRO A 8 6.002 0.055 -9.140 1.00 0.00 H ATOM 121 HD3 PRO A 8 6.921 -0.800 -7.889 1.00 0.00 H ATOM 122 N LYS A 9 3.918 2.993 -6.552 1.00 0.00 N ATOM 123 CA LYS A 9 2.761 3.875 -6.540 1.00 0.00 C ATOM 124 C LYS A 9 3.033 5.149 -5.733 1.00 0.00 C ATOM 125 O LYS A 9 2.638 6.227 -6.174 1.00 0.00 O ATOM 126 CB LYS A 9 1.513 3.108 -6.075 1.00 0.00 C ATOM 127 CG LYS A 9 0.289 3.286 -6.979 1.00 0.00 C ATOM 128 CD LYS A 9 -0.298 4.698 -6.935 1.00 0.00 C ATOM 129 CE LYS A 9 -1.013 5.041 -8.232 1.00 0.00 C ATOM 130 NZ LYS A 9 -1.583 6.416 -8.206 1.00 0.00 N1+ ATOM 131 H LYS A 9 3.857 2.148 -6.062 1.00 0.00 H ATOM 132 HA LYS A 9 2.605 4.186 -7.499 1.00 0.00 H ATOM 133 HB2 LYS A 9 1.753 2.055 -6.048 1.00 0.00 H ATOM 134 HB3 LYS A 9 1.257 3.425 -5.082 1.00 0.00 H ATOM 135 HG2 LYS A 9 0.577 3.067 -7.995 1.00 0.00 H ATOM 136 HG3 LYS A 9 -0.470 2.587 -6.667 1.00 0.00 H ATOM 137 HD2 LYS A 9 -1.009 4.760 -6.123 1.00 0.00 H ATOM 138 HD3 LYS A 9 0.501 5.406 -6.775 1.00 0.00 H ATOM 139 HE2 LYS A 9 -0.309 4.969 -9.046 1.00 0.00 H ATOM 140 HE3 LYS A 9 -1.813 4.332 -8.386 1.00 0.00 H ATOM 141 HZ1 LYS A 9 -0.825 7.114 -8.060 1.00 0.00 H ATOM 142 HZ2 LYS A 9 -2.272 6.504 -7.431 1.00 0.00 H ATOM 143 HZ3 LYS A 9 -2.061 6.622 -9.106 1.00 0.00 H HETATM 144 N MMO A 10 3.728 5.038 -4.555 1.00 0.00 N HETATM 145 CA MMO A 10 4.125 6.154 -3.679 1.00 0.00 C HETATM 146 C MMO A 10 3.185 7.361 -3.675 1.00 0.00 C HETATM 147 O MMO A 10 2.900 7.960 -4.715 1.00 0.00 O HETATM 148 CB MMO A 10 5.549 6.524 -4.137 1.00 0.00 C HETATM 149 CG MMO A 10 6.395 7.244 -3.096 1.00 0.00 C HETATM 150 CD MMO A 10 7.877 6.989 -3.331 1.00 0.00 C HETATM 151 NE MMO A 10 8.411 7.794 -4.438 1.00 0.00 N HETATM 152 CZ MMO A 10 9.676 7.743 -4.879 1.00 0.00 C HETATM 153 NH2 MMO A 10 10.048 8.516 -5.890 1.00 0.00 N HETATM 154 NH1 MMO A 10 10.568 6.925 -4.322 1.00 0.00 N HETATM 155 CN MMO A 10 4.070 3.706 -4.040 1.00 0.00 C HETATM 156 HA MMO A 10 4.155 5.751 -2.698 1.00 0.00 H HETATM 157 HCB1 MMO A 10 5.481 7.151 -5.014 1.00 0.00 H HETATM 158 HCB2 MMO A 10 6.060 5.612 -4.397 1.00 0.00 H HETATM 159 HCG1 MMO A 10 6.125 6.886 -2.114 1.00 0.00 H HETATM 160 HCG2 MMO A 10 6.206 8.306 -3.160 1.00 0.00 H HETATM 161 HCD1 MMO A 10 8.012 5.940 -3.567 1.00 0.00 H HETATM 162 HCD2 MMO A 10 8.419 7.228 -2.430 1.00 0.00 H HETATM 163 HH21 MMO A 10 9.387 9.134 -6.317 1.00 0.00 H HETATM 164 HH22 MMO A 10 10.990 8.483 -6.224 1.00 0.00 H HETATM 165 HH11 MMO A 10 11.506 6.901 -4.666 1.00 0.00 H HETATM 166 HC1 MMO A 10 3.613 2.963 -4.676 1.00 0.00 H HETATM 167 HC2 MMO A 10 3.700 3.600 -3.031 1.00 0.00 H HETATM 168 HC3 MMO A 10 5.141 3.580 -4.052 1.00 0.00 H HETATM 169 HE MMO A 10 7.791 8.412 -4.880 1.00 0.00 H HETATM 170 HH12 MMO A 10 10.298 6.335 -3.561 1.00 0.00 H ATOM 171 N PHE A 11 2.757 7.734 -2.470 1.00 0.00 N ATOM 172 CA PHE A 11 1.765 8.783 -2.291 1.00 0.00 C ATOM 173 C PHE A 11 2.241 9.849 -1.309 1.00 0.00 C ATOM 174 O PHE A 11 2.674 10.925 -1.733 1.00 0.00 O ATOM 175 CB PHE A 11 0.451 8.095 -1.831 1.00 0.00 C ATOM 176 CG PHE A 11 0.489 6.601 -2.085 1.00 0.00 C ATOM 177 CD1 PHE A 11 0.635 5.688 -1.048 1.00 0.00 C ATOM 178 CD2 PHE A 11 0.441 6.113 -3.385 1.00 0.00 C ATOM 179 CE1 PHE A 11 0.730 4.344 -1.311 1.00 0.00 C ATOM 180 CE2 PHE A 11 0.542 4.775 -3.641 1.00 0.00 C ATOM 181 CZ PHE A 11 0.690 3.890 -2.624 1.00 0.00 C ATOM 182 H PHE A 11 3.125 7.296 -1.675 1.00 0.00 H ATOM 183 HA PHE A 11 1.598 9.246 -3.251 1.00 0.00 H ATOM 184 HB2 PHE A 11 0.311 8.258 -0.772 1.00 0.00 H ATOM 185 HB3 PHE A 11 -0.385 8.510 -2.375 1.00 0.00 H ATOM 186 HD1 PHE A 11 0.701 6.030 -0.029 1.00 0.00 H ATOM 187 HD2 PHE A 11 0.333 6.801 -4.203 1.00 0.00 H ATOM 188 HE1 PHE A 11 0.833 3.656 -0.490 1.00 0.00 H ATOM 189 HE2 PHE A 11 0.549 4.412 -4.660 1.00 0.00 H ATOM 190 HZ PHE A 11 0.764 2.835 -2.862 1.00 0.00 H HETATM 191 N NLE A 12 2.168 9.550 0.000 1.00 0.00 N HETATM 192 CA NLE A 12 2.585 10.497 1.042 1.00 0.00 C HETATM 193 C NLE A 12 2.566 9.856 2.432 1.00 0.00 C HETATM 194 O NLE A 12 3.114 10.431 3.378 1.00 0.00 O HETATM 195 CB NLE A 12 1.665 11.736 1.035 1.00 0.00 C HETATM 196 CG NLE A 12 2.354 13.052 1.397 1.00 0.00 C HETATM 197 CD NLE A 12 2.330 13.312 2.898 1.00 0.00 C HETATM 198 CE NLE A 12 3.031 14.615 3.215 1.00 0.00 C HETATM 199 H NLE A 12 1.825 8.672 0.268 1.00 0.00 H HETATM 200 HA NLE A 12 3.593 10.808 0.817 1.00 0.00 H HETATM 201 HB2 NLE A 12 0.862 11.569 1.737 1.00 0.00 H HETATM 202 HB3 NLE A 12 1.244 11.838 0.044 1.00 0.00 H HETATM 203 HG2 NLE A 12 1.846 13.864 0.895 1.00 0.00 H HETATM 204 HG3 NLE A 12 3.382 13.015 1.069 1.00 0.00 H HETATM 205 HD2 NLE A 12 2.838 12.510 3.411 1.00 0.00 H HETATM 206 HD3 NLE A 12 1.305 13.379 3.234 1.00 0.00 H HETATM 207 HE1 NLE A 12 2.522 15.427 2.717 1.00 0.00 H HETATM 208 HE2 NLE A 12 4.054 14.566 2.870 1.00 0.00 H HETATM 209 HE3 NLE A 12 3.017 14.780 4.281 1.00 0.00 H ATOM 210 N ARG A 13 1.954 8.664 2.564 1.00 0.00 N ATOM 211 CA ARG A 13 1.870 8.008 3.869 1.00 0.00 C ATOM 212 C ARG A 13 2.111 6.516 3.757 1.00 0.00 C ATOM 213 O ARG A 13 1.783 5.897 2.740 1.00 0.00 O ATOM 214 CB ARG A 13 0.511 8.279 4.528 1.00 0.00 C ATOM 215 CG ARG A 13 0.429 9.645 5.194 1.00 0.00 C ATOM 216 CD ARG A 13 -0.942 9.895 5.798 1.00 0.00 C ATOM 217 NE ARG A 13 -0.986 11.145 6.565 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.003 11.525 7.352 1.00 0.00 C ATOM 219 NH1 ARG A 13 -3.085 10.761 7.496 1.00 0.00 N1+ ATOM 220 NH2 ARG A 13 -1.933 12.680 7.998 1.00 0.00 N ATOM 221 H ARG A 13 1.583 8.203 1.765 1.00 0.00 H ATOM 222 HA ARG A 13 2.644 8.430 4.492 1.00 0.00 H ATOM 223 HB2 ARG A 13 -0.259 8.223 3.776 1.00 0.00 H ATOM 224 HB3 ARG A 13 0.329 7.525 5.278 1.00 0.00 H ATOM 225 HG2 ARG A 13 1.170 9.698 5.977 1.00 0.00 H ATOM 226 HG3 ARG A 13 0.632 10.407 4.455 1.00 0.00 H ATOM 227 HD2 ARG A 13 -1.668 9.949 5.001 1.00 0.00 H ATOM 228 HD3 ARG A 13 -1.188 9.072 6.454 1.00 0.00 H ATOM 229 HE ARG A 13 -0.211 11.741 6.490 1.00 0.00 H ATOM 230 HH11 ARG A 13 -3.148 9.888 7.013 1.00 0.00 H ATOM 231 HH12 ARG A 13 -3.833 11.061 8.087 1.00 0.00 H ATOM 232 HH21 ARG A 13 -2.689 12.970 8.587 1.00 0.00 H ATOM 233 HH22 ARG A 13 -1.126 13.262 7.898 1.00 0.00 H ATOM 234 N SER A 14 2.689 5.951 4.819 1.00 0.00 N ATOM 235 CA SER A 14 2.993 4.526 4.870 1.00 0.00 C ATOM 236 C SER A 14 1.837 3.730 5.486 1.00 0.00 C ATOM 237 O SER A 14 1.592 2.589 5.090 1.00 0.00 O ATOM 238 CB SER A 14 4.281 4.287 5.663 1.00 0.00 C ATOM 239 OG SER A 14 4.659 2.919 5.638 1.00 0.00 O ATOM 240 H SER A 14 2.915 6.511 5.590 1.00 0.00 H ATOM 241 HA SER A 14 3.142 4.197 3.850 1.00 0.00 H ATOM 242 HB2 SER A 14 5.079 4.874 5.235 1.00 0.00 H ATOM 243 HB3 SER A 14 4.128 4.586 6.691 1.00 0.00 H ATOM 244 HG SER A 14 5.372 2.772 6.262 1.00 0.00 H HETATM 245 OE1 B3D A 15 1.232 1.546 9.356 1.00 0.00 O HETATM 246 CD B3D A 15 1.469 2.713 8.979 1.00 0.00 C HETATM 247 OE2 B3D A 15 2.624 3.177 8.874 1.00 0.00 O HETATM 248 CG B3D A 15 0.295 3.612 8.631 1.00 0.00 C HETATM 249 CB B3D A 15 0.028 3.687 7.111 1.00 0.00 C HETATM 250 N B3D A 15 1.144 4.333 6.463 1.00 0.00 N HETATM 251 CA B3D A 15 -1.272 4.481 6.923 1.00 0.00 C HETATM 252 C B3D A 15 -1.994 4.147 5.648 1.00 0.00 C HETATM 253 O B3D A 15 -2.523 3.030 5.478 1.00 0.00 O HETATM 254 HG3 B3D A 15 0.505 4.604 9.000 1.00 0.00 H HETATM 255 HG2 B3D A 15 -0.584 3.227 9.127 1.00 0.00 H HETATM 256 HB B3D A 15 -0.059 2.686 6.636 1.00 0.00 H HETATM 257 H B3D A 15 1.401 5.236 6.745 1.00 0.00 H HETATM 258 HA1 B3D A 15 -1.039 5.536 6.913 1.00 0.00 H HETATM 259 HA2 B3D A 15 -1.936 4.276 7.750 1.00 0.00 H ATOM 260 N HIS A 16 -1.992 5.128 4.726 1.00 0.00 N ATOM 261 CA HIS A 16 -2.634 4.994 3.411 1.00 0.00 C ATOM 262 C HIS A 16 -2.062 3.811 2.634 1.00 0.00 C ATOM 263 O HIS A 16 -2.799 3.120 1.933 1.00 0.00 O ATOM 264 CB HIS A 16 -2.470 6.283 2.600 1.00 0.00 C ATOM 265 CG HIS A 16 -3.351 7.407 3.061 1.00 0.00 C ATOM 266 ND1 HIS A 16 -4.336 7.960 2.270 1.00 0.00 N ATOM 267 CD2 HIS A 16 -3.389 8.086 4.235 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.939 8.931 2.936 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.384 9.026 4.129 1.00 0.00 N ATOM 270 H HIS A 16 -1.543 5.971 4.942 1.00 0.00 H ATOM 271 HA HIS A 16 -3.687 4.819 3.576 1.00 0.00 H ATOM 272 HB2 HIS A 16 -1.446 6.615 2.669 1.00 0.00 H ATOM 273 HB3 HIS A 16 -2.706 6.079 1.565 1.00 0.00 H ATOM 274 HD1 HIS A 16 -4.560 7.684 1.358 1.00 0.00 H ATOM 275 HD2 HIS A 16 -2.757 7.915 5.095 1.00 0.00 H ATOM 276 HE1 HIS A 16 -5.750 9.541 2.565 1.00 0.00 H ATOM 277 HE2 HIS A 16 -4.591 9.715 4.795 1.00 0.00 H ATOM 278 N LEU A 17 -0.737 3.598 2.755 1.00 0.00 N ATOM 279 CA LEU A 17 -0.072 2.476 2.111 1.00 0.00 C ATOM 280 C LEU A 17 -0.371 1.161 2.825 1.00 0.00 C ATOM 281 O LEU A 17 -0.430 0.130 2.178 1.00 0.00 O ATOM 282 CB LEU A 17 1.451 2.661 2.045 1.00 0.00 C ATOM 283 CG LEU A 17 2.231 1.443 1.507 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.130 1.331 -0.007 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.674 1.495 1.946 1.00 0.00 C ATOM 286 H LEU A 17 -0.199 4.235 3.248 1.00 0.00 H ATOM 287 HA LEU A 17 -0.463 2.417 1.106 1.00 0.00 H ATOM 288 HB2 LEU A 17 1.672 3.517 1.426 1.00 0.00 H ATOM 289 HB3 LEU A 17 1.799 2.863 3.043 1.00 0.00 H ATOM 290 HG LEU A 17 1.796 0.547 1.925 1.00 0.00 H ATOM 291 HD11 LEU A 17 2.751 2.086 -0.477 1.00 0.00 H ATOM 292 HD12 LEU A 17 1.100 1.477 -0.300 1.00 0.00 H ATOM 293 HD13 LEU A 17 2.451 0.335 -0.327 1.00 0.00 H ATOM 294 HD21 LEU A 17 3.717 1.587 3.021 1.00 0.00 H ATOM 295 HD22 LEU A 17 4.158 2.345 1.486 1.00 0.00 H ATOM 296 HD23 LEU A 17 4.170 0.586 1.640 1.00 0.00 H ATOM 297 N SER A 18 -0.486 1.191 4.161 1.00 0.00 N ATOM 298 CA SER A 18 -0.802 -0.020 4.934 1.00 0.00 C ATOM 299 C SER A 18 -2.101 -0.639 4.419 1.00 0.00 C ATOM 300 O SER A 18 -2.112 -1.791 3.975 1.00 0.00 O ATOM 301 CB SER A 18 -0.905 0.288 6.432 1.00 0.00 C ATOM 302 OG SER A 18 0.348 0.689 6.957 1.00 0.00 O ATOM 303 H SER A 18 -0.321 2.033 4.634 1.00 0.00 H ATOM 304 HA SER A 18 0.000 -0.726 4.774 1.00 0.00 H ATOM 305 HB2 SER A 18 -1.620 1.080 6.588 1.00 0.00 H ATOM 306 HB3 SER A 18 -1.232 -0.599 6.956 1.00 0.00 H ATOM 307 HG SER A 18 0.992 0.737 6.246 1.00 0.00 H HETATM 308 N B3K A 19 -3.176 0.154 4.428 1.00 0.00 N HETATM 309 CB B3K A 19 -4.446 -0.312 3.939 1.00 0.00 C HETATM 310 CG B3K A 19 -5.525 -0.106 5.026 1.00 0.00 C HETATM 311 CD B3K A 19 -5.352 -0.999 6.248 1.00 0.00 C HETATM 312 CE B3K A 19 -6.446 -0.754 7.275 1.00 0.00 C HETATM 313 CF B3K A 19 -6.286 -1.659 8.485 1.00 0.00 C HETATM 314 NZ B3K A 19 -7.357 -1.432 9.494 1.00 0.00 N HETATM 315 CA B3K A 19 -4.879 0.495 2.712 1.00 0.00 C HETATM 316 C B3K A 19 -4.319 -0.011 1.404 1.00 0.00 C HETATM 317 O B3K A 19 -4.766 -1.037 0.867 1.00 0.00 O HETATM 318 H B3K A 19 -3.095 1.079 4.775 1.00 0.00 H HETATM 319 HB B3K A 19 -4.297 -1.379 3.667 1.00 0.00 H HETATM 320 HG2 B3K A 19 -6.496 -0.308 4.598 1.00 0.00 H HETATM 321 HG3 B3K A 19 -5.494 0.922 5.354 1.00 0.00 H HETATM 322 HD2 B3K A 19 -4.393 -0.793 6.700 1.00 0.00 H HETATM 323 HD3 B3K A 19 -5.391 -2.032 5.935 1.00 0.00 H HETATM 324 HE2 B3K A 19 -7.406 -0.944 6.817 1.00 0.00 H HETATM 325 HE3 B3K A 19 -6.397 0.275 7.599 1.00 0.00 H HETATM 326 HF1 B3K A 19 -5.326 -1.463 8.941 1.00 0.00 H HETATM 327 HF2 B3K A 19 -6.325 -2.687 8.158 1.00 0.00 H HETATM 328 HNZ1 B3K A 19 -8.290 -1.619 9.073 1.00 0.00 H HETATM 329 HNZ2 B3K A 19 -7.332 -0.447 9.827 1.00 0.00 H HETATM 330 HA1 B3K A 19 -5.956 0.475 2.640 1.00 0.00 H HETATM 331 HA2 B3K A 19 -4.556 1.518 2.839 1.00 0.00 H HETATM 332 HZ3 B3K A 19 -7.222 -2.065 10.307 1.00 0.00 H ATOM 333 N HIS A 20 -3.272 0.682 0.924 1.00 0.00 N ATOM 334 CA HIS A 20 -2.627 0.393 -0.351 1.00 0.00 C ATOM 335 C HIS A 20 -2.129 -1.058 -0.485 1.00 0.00 C ATOM 336 O HIS A 20 -2.232 -1.669 -1.549 1.00 0.00 O ATOM 337 CB HIS A 20 -1.461 1.326 -0.539 1.00 0.00 C ATOM 338 CG HIS A 20 -0.792 1.093 -1.830 1.00 0.00 C ATOM 339 ND1 HIS A 20 -1.210 1.621 -3.024 1.00 0.00 N ATOM 340 CD2 HIS A 20 0.238 0.280 -2.109 1.00 0.00 C ATOM 341 CE1 HIS A 20 -0.434 1.107 -3.975 1.00 0.00 C ATOM 342 NE2 HIS A 20 0.462 0.301 -3.455 1.00 0.00 N ATOM 343 H HIS A 20 -2.887 1.401 1.470 1.00 0.00 H ATOM 344 HA HIS A 20 -3.311 0.610 -1.132 1.00 0.00 H ATOM 345 HB2 HIS A 20 -1.805 2.352 -0.504 1.00 0.00 H ATOM 346 HB3 HIS A 20 -0.752 1.146 0.247 1.00 0.00 H ATOM 347 HD1 HIS A 20 -1.945 2.257 -3.153 1.00 0.00 H ATOM 348 HD2 HIS A 20 0.762 -0.365 -1.399 1.00 0.00 H ATOM 349 HE1 HIS A 20 -0.572 1.267 -5.026 1.00 0.00 H ATOM 350 N ILE A 21 -1.540 -1.570 0.576 1.00 0.00 N ATOM 351 CA ILE A 21 -0.985 -2.902 0.560 1.00 0.00 C ATOM 352 C ILE A 21 -1.924 -3.926 1.197 1.00 0.00 C ATOM 353 O ILE A 21 -1.719 -5.131 1.054 1.00 0.00 O ATOM 354 CB ILE A 21 0.451 -2.931 1.158 1.00 0.00 C ATOM 355 CG1 ILE A 21 0.486 -2.732 2.685 1.00 0.00 C ATOM 356 CG2 ILE A 21 1.311 -1.910 0.476 1.00 0.00 C ATOM 357 CD1 ILE A 21 0.579 -4.026 3.468 1.00 0.00 C ATOM 358 H ILE A 21 -1.460 -1.034 1.377 1.00 0.00 H ATOM 359 HA ILE A 21 -0.897 -3.163 -0.478 1.00 0.00 H ATOM 360 HB ILE A 21 0.876 -3.855 0.907 1.00 0.00 H ATOM 361 HG12 ILE A 21 1.344 -2.129 2.942 1.00 0.00 H ATOM 362 HG13 ILE A 21 -0.413 -2.220 2.996 1.00 0.00 H ATOM 363 HG21 ILE A 21 2.254 -1.829 0.991 1.00 0.00 H ATOM 364 HG22 ILE A 21 0.803 -0.962 0.489 1.00 0.00 H ATOM 365 HG23 ILE A 21 1.480 -2.228 -0.543 1.00 0.00 H ATOM 366 HD11 ILE A 21 0.598 -3.806 4.524 1.00 0.00 H ATOM 367 HD12 ILE A 21 1.485 -4.548 3.193 1.00 0.00 H ATOM 368 HD13 ILE A 21 -0.276 -4.645 3.242 1.00 0.00 H HETATM 369 N B3K A 22 -2.916 -3.431 1.938 1.00 0.00 N HETATM 370 CB B3K A 22 -3.920 -4.267 2.510 1.00 0.00 C HETATM 371 CG B3K A 22 -3.959 -4.045 4.035 1.00 0.00 C HETATM 372 CD B3K A 22 -3.749 -5.317 4.840 1.00 0.00 C HETATM 373 CE B3K A 22 -3.778 -5.040 6.337 1.00 0.00 C HETATM 374 CF B3K A 22 -3.497 -6.297 7.149 1.00 0.00 C HETATM 375 NZ B3K A 22 -4.651 -7.242 7.142 1.00 0.00 N HETATM 376 CA B3K A 22 -5.304 -3.877 1.961 1.00 0.00 C HETATM 377 C B3K A 22 -5.482 -4.052 0.460 1.00 0.00 C HETATM 378 O B3K A 22 -6.388 -4.787 0.032 1.00 0.00 O HETATM 379 H B3K A 22 -2.932 -2.466 2.131 1.00 0.00 H HETATM 380 HB B3K A 22 -3.659 -5.309 2.223 1.00 0.00 H HETATM 381 HG2 B3K A 22 -4.920 -3.631 4.303 1.00 0.00 H HETATM 382 HG3 B3K A 22 -3.186 -3.343 4.305 1.00 0.00 H HETATM 383 HD2 B3K A 22 -2.791 -5.743 4.579 1.00 0.00 H HETATM 384 HD3 B3K A 22 -4.534 -6.019 4.599 1.00 0.00 H HETATM 385 HE2 B3K A 22 -4.753 -4.661 6.602 1.00 0.00 H HETATM 386 HE3 B3K A 22 -3.026 -4.301 6.569 1.00 0.00 H HETATM 387 HF1 B3K A 22 -3.285 -6.010 8.168 1.00 0.00 H HETATM 388 HF2 B3K A 22 -2.636 -6.796 6.732 1.00 0.00 H HETATM 389 HNZ1 B3K A 22 -5.493 -6.781 7.543 1.00 0.00 H HETATM 390 HNZ2 B3K A 22 -4.428 -8.084 7.710 1.00 0.00 H HETATM 391 HA1 B3K A 22 -5.485 -2.837 2.195 1.00 0.00 H HETATM 392 HA2 B3K A 22 -6.051 -4.479 2.455 1.00 0.00 H HETATM 393 HZ3 B3K A 22 -4.862 -7.540 6.168 1.00 0.00 H ATOM 394 N THR A 23 -4.610 -3.404 -0.359 1.00 0.00 N ATOM 395 CA THR A 23 -4.733 -3.498 -1.820 1.00 0.00 C ATOM 396 C THR A 23 -3.761 -4.527 -2.371 1.00 0.00 C ATOM 397 O THR A 23 -4.149 -5.350 -3.207 1.00 0.00 O ATOM 398 CB THR A 23 -4.558 -2.131 -2.545 1.00 0.00 C ATOM 399 OG1 THR A 23 -5.155 -1.084 -1.769 1.00 0.00 O ATOM 400 CG2 THR A 23 -5.205 -2.156 -3.923 1.00 0.00 C ATOM 401 H THR A 23 -3.850 -2.898 0.031 1.00 0.00 H ATOM 402 HA THR A 23 -5.729 -3.856 -2.023 1.00 0.00 H ATOM 403 HB THR A 23 -3.498 -1.921 -2.666 1.00 0.00 H ATOM 404 HG1 THR A 23 -4.518 -0.755 -1.132 1.00 0.00 H ATOM 405 HG21 THR A 23 -5.011 -1.222 -4.428 1.00 0.00 H ATOM 406 HG22 THR A 23 -6.271 -2.296 -3.817 1.00 0.00 H ATOM 407 HG23 THR A 23 -4.789 -2.972 -4.497 1.00 0.00 H ATOM 408 N HIS A 24 -2.494 -4.484 -1.916 1.00 0.00 N ATOM 409 CA HIS A 24 -1.503 -5.492 -2.337 1.00 0.00 C ATOM 410 C HIS A 24 -1.955 -6.856 -1.874 1.00 0.00 C ATOM 411 O HIS A 24 -1.654 -7.898 -2.462 1.00 0.00 O ATOM 412 CB HIS A 24 -0.118 -5.185 -1.786 1.00 0.00 C ATOM 413 CG HIS A 24 0.668 -4.253 -2.645 1.00 0.00 C ATOM 414 ND1 HIS A 24 1.610 -4.651 -3.585 1.00 0.00 N ATOM 415 CD2 HIS A 24 0.604 -2.908 -2.745 1.00 0.00 C ATOM 416 CE1 HIS A 24 2.041 -3.545 -4.200 1.00 0.00 C ATOM 417 NE2 HIS A 24 1.459 -2.507 -3.740 1.00 0.00 N ATOM 418 H HIS A 24 -2.223 -3.754 -1.316 1.00 0.00 H ATOM 419 HA HIS A 24 -1.497 -5.486 -3.387 1.00 0.00 H ATOM 420 HB2 HIS A 24 -0.237 -4.731 -0.814 1.00 0.00 H ATOM 421 HB3 HIS A 24 0.437 -6.105 -1.685 1.00 0.00 H ATOM 422 HD1 HIS A 24 1.939 -5.560 -3.736 1.00 0.00 H ATOM 423 HD2 HIS A 24 0.080 -2.228 -2.079 1.00 0.00 H ATOM 424 HE1 HIS A 24 2.834 -3.491 -4.930 1.00 0.00 H HETATM 425 N B3Q A 25 -2.683 -6.771 -0.798 1.00 0.00 N HETATM 426 CB B3Q A 25 -3.345 -7.871 -0.167 1.00 0.00 C HETATM 427 CG B3Q A 25 -2.723 -8.233 1.188 1.00 0.00 C HETATM 428 CA B3Q A 25 -4.744 -7.336 0.015 1.00 0.00 C HETATM 429 C B3Q A 25 -5.867 -8.307 -0.276 1.00 0.00 C HETATM 430 O B3Q A 25 -5.669 -9.525 -0.367 1.00 0.00 O HETATM 431 HN B3Q A 25 -2.797 -5.866 -0.404 1.00 0.00 H HETATM 432 HB B3Q A 25 -3.346 -8.720 -0.841 1.00 0.00 H HETATM 433 HG B3Q A 25 -3.370 -8.941 1.687 1.00 0.00 H HETATM 434 HGA B3Q A 25 -2.656 -7.339 1.789 1.00 0.00 H HETATM 435 CD B3Q A 25 -1.328 -8.843 1.090 1.00 0.00 C HETATM 436 HA B3Q A 25 -4.853 -6.974 1.023 1.00 0.00 H HETATM 437 HAA B3Q A 25 -4.834 -6.495 -0.679 1.00 0.00 H HETATM 438 CE B3Q A 25 -0.251 -7.917 1.621 1.00 0.00 C HETATM 439 NF2 B3Q A 25 0.295 -7.078 0.747 1.00 0.00 N HETATM 440 H8 B3Q A 25 -1.117 -9.058 0.052 1.00 0.00 H HETATM 441 OF1 B3Q A 25 0.087 -7.954 2.804 1.00 0.00 O HETATM 442 H9 B3Q A 25 -1.303 -9.760 1.658 1.00 0.00 H HETATM 443 H11 B3Q A 25 -0.024 -7.103 -0.179 1.00 0.00 H HETATM 444 H12 B3Q A 25 0.991 -6.467 1.065 1.00 0.00 H ATOM 445 N ASN A 26 -7.068 -7.732 -0.416 1.00 0.00 N ATOM 446 CA ASN A 26 -8.282 -8.500 -0.704 1.00 0.00 C ATOM 447 C ASN A 26 -9.106 -7.817 -1.793 1.00 0.00 C ATOM 448 O ASN A 26 -9.384 -6.618 -1.708 1.00 0.00 O ATOM 449 CB ASN A 26 -9.131 -8.667 0.562 1.00 0.00 C ATOM 450 CG ASN A 26 -8.493 -9.600 1.574 1.00 0.00 C ATOM 451 OD1 ASN A 26 -7.729 -9.170 2.438 1.00 0.00 O ATOM 452 ND2 ASN A 26 -8.806 -10.886 1.472 1.00 0.00 N ATOM 453 H ASN A 26 -7.133 -6.751 -0.320 1.00 0.00 H ATOM 454 HA ASN A 26 -7.980 -9.475 -1.057 1.00 0.00 H ATOM 455 HB2 ASN A 26 -9.266 -7.702 1.026 1.00 0.00 H ATOM 456 HB3 ASN A 26 -10.097 -9.067 0.288 1.00 0.00 H ATOM 457 HD21 ASN A 26 -9.422 -11.158 0.759 1.00 0.00 H ATOM 458 HD22 ASN A 26 -8.409 -11.512 2.113 1.00 0.00 H ATOM 459 N LYS A 27 -9.485 -8.594 -2.812 1.00 0.00 N ATOM 460 CA LYS A 27 -10.280 -8.081 -3.930 1.00 0.00 C ATOM 461 C LYS A 27 -11.685 -8.676 -3.917 1.00 0.00 C ATOM 462 O LYS A 27 -11.861 -9.861 -3.621 1.00 0.00 O ATOM 463 CB LYS A 27 -9.596 -8.392 -5.266 1.00 0.00 C ATOM 464 CG LYS A 27 -8.371 -7.533 -5.544 1.00 0.00 C ATOM 465 CD LYS A 27 -7.750 -7.867 -6.890 1.00 0.00 C ATOM 466 CE LYS A 27 -6.531 -7.002 -7.173 1.00 0.00 C ATOM 467 NZ LYS A 27 -5.920 -7.320 -8.493 1.00 0.00 N1+ ATOM 468 H LYS A 27 -9.224 -9.539 -2.811 1.00 0.00 H ATOM 469 HA LYS A 27 -10.356 -7.009 -3.816 1.00 0.00 H ATOM 470 HB2 LYS A 27 -9.289 -9.427 -5.266 1.00 0.00 H ATOM 471 HB3 LYS A 27 -10.306 -8.236 -6.065 1.00 0.00 H ATOM 472 HG2 LYS A 27 -8.665 -6.493 -5.544 1.00 0.00 H ATOM 473 HG3 LYS A 27 -7.640 -7.702 -4.768 1.00 0.00 H ATOM 474 HD2 LYS A 27 -7.449 -8.905 -6.890 1.00 0.00 H ATOM 475 HD3 LYS A 27 -8.484 -7.705 -7.666 1.00 0.00 H ATOM 476 HE2 LYS A 27 -6.833 -5.966 -7.167 1.00 0.00 H ATOM 477 HE3 LYS A 27 -5.800 -7.169 -6.396 1.00 0.00 H ATOM 478 HZ1 LYS A 27 -5.089 -6.715 -8.656 1.00 0.00 H ATOM 479 HZ2 LYS A 27 -6.607 -7.157 -9.255 1.00 0.00 H ATOM 480 HZ3 LYS A 27 -5.620 -8.315 -8.518 1.00 0.00 H ATOM 481 N LYS A 28 -12.675 -7.837 -4.238 1.00 0.00 N ATOM 482 CA LYS A 28 -14.077 -8.259 -4.269 1.00 0.00 C ATOM 483 C LYS A 28 -14.528 -8.543 -5.702 1.00 0.00 C ATOM 484 O LYS A 28 -14.562 -7.648 -6.550 1.00 0.00 O ATOM 485 CB LYS A 28 -14.977 -7.192 -3.630 1.00 0.00 C ATOM 486 CG LYS A 28 -14.857 -7.112 -2.115 1.00 0.00 C ATOM 487 CD LYS A 28 -15.764 -6.035 -1.542 1.00 0.00 C ATOM 488 CE LYS A 28 -15.646 -5.955 -0.028 1.00 0.00 C ATOM 489 NZ LYS A 28 -16.529 -4.901 0.543 1.00 0.00 N1+ ATOM 490 H LYS A 28 -12.455 -6.909 -4.461 1.00 0.00 H ATOM 491 HA LYS A 28 -14.158 -9.172 -3.697 1.00 0.00 H ATOM 492 HB2 LYS A 28 -14.717 -6.227 -4.041 1.00 0.00 H ATOM 493 HB3 LYS A 28 -16.005 -7.412 -3.878 1.00 0.00 H ATOM 494 HG2 LYS A 28 -15.135 -8.065 -1.691 1.00 0.00 H ATOM 495 HG3 LYS A 28 -13.834 -6.884 -1.857 1.00 0.00 H ATOM 496 HD2 LYS A 28 -15.487 -5.082 -1.966 1.00 0.00 H ATOM 497 HD3 LYS A 28 -16.787 -6.264 -1.803 1.00 0.00 H ATOM 498 HE2 LYS A 28 -15.922 -6.910 0.393 1.00 0.00 H ATOM 499 HE3 LYS A 28 -14.621 -5.732 0.228 1.00 0.00 H ATOM 500 HZ1 LYS A 28 -16.428 -4.872 1.578 1.00 0.00 H ATOM 501 HZ2 LYS A 28 -17.523 -5.102 0.309 1.00 0.00 H ATOM 502 HZ3 LYS A 28 -16.274 -3.971 0.154 1.00 0.00 H HETATM 503 N NH2 A 29 -14.865 -9.798 -5.973 1.00 0.00 N HETATM 504 HN1 NH2 A 29 -14.813 -10.458 -5.250 1.00 0.00 H HETATM 505 HN2 NH2 A 29 -15.149 -10.015 -6.885 1.00 0.00 H TER 506 NH2 A 29 HETATM 507 ZN ZN A 101 1.823 -0.752 -4.325 1.00 0.00 ZN