ATOM 56 N LYS A 5 -2.135 15.857 6.166 1.00 0.00 N ATOM 57 CA LYS A 5 -1.176 15.405 7.180 1.00 0.00 C ATOM 58 C LYS A 5 -0.841 13.938 6.909 1.00 0.00 C ATOM 59 O LYS A 5 -1.747 13.121 6.683 1.00 0.00 O ATOM 60 CB LYS A 5 -1.749 15.542 8.619 1.00 0.00 C ATOM 61 CG LYS A 5 -0.807 15.004 9.736 1.00 0.00 C ATOM 62 CD LYS A 5 -1.487 14.922 11.121 1.00 0.00 C ATOM 63 CE LYS A 5 -2.011 16.277 11.630 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.669 16.157 12.956 1.00 0.00 N1+ ATOM 65 H LYS A 5 -2.817 15.221 5.868 1.00 0.00 H ATOM 66 HA LYS A 5 -0.269 16.003 7.088 1.00 0.00 H ATOM 67 HB2 LYS A 5 -1.948 16.593 8.811 1.00 0.00 H ATOM 68 HB3 LYS A 5 -2.689 15.003 8.673 1.00 0.00 H ATOM 69 HG2 LYS A 5 -0.472 14.009 9.460 1.00 0.00 H ATOM 70 HG3 LYS A 5 0.060 15.657 9.801 1.00 0.00 H ATOM 71 HD2 LYS A 5 -2.323 14.236 11.058 1.00 0.00 H ATOM 72 HD3 LYS A 5 -0.767 14.536 11.838 1.00 0.00 H ATOM 73 HE2 LYS A 5 -1.183 16.969 11.714 1.00 0.00 H ATOM 74 HE3 LYS A 5 -2.733 16.672 10.924 1.00 0.00 H ATOM 75 HZ1 LYS A 5 -3.472 15.499 12.900 1.00 0.00 H ATOM 76 HZ2 LYS A 5 -3.023 17.083 13.261 1.00 0.00 H ATOM 77 HZ3 LYS A 5 -1.999 15.800 13.663 1.00 0.00 H ATOM 78 N CYS A 6 0.452 13.612 6.882 1.00 0.00 N ATOM 79 CA CYS A 6 0.922 12.229 6.947 1.00 0.00 C ATOM 80 C CYS A 6 1.110 11.838 8.417 1.00 0.00 C ATOM 81 O CYS A 6 2.070 12.282 9.053 1.00 0.00 O ATOM 82 CB CYS A 6 2.246 12.089 6.189 1.00 0.00 C ATOM 83 SG CYS A 6 2.948 10.420 6.244 1.00 0.00 S ATOM 84 H CYS A 6 1.130 14.312 6.800 1.00 0.00 H ATOM 85 HA CYS A 6 0.178 11.581 6.485 1.00 0.00 H ATOM 86 HB2 CYS A 6 2.091 12.345 5.148 1.00 0.00 H ATOM 87 HB3 CYS A 6 2.974 12.768 6.609 1.00 0.00 H ATOM 88 N ASN A 7 0.170 11.030 8.947 1.00 0.00 N ATOM 89 CA ASN A 7 0.165 10.551 10.356 1.00 0.00 C ATOM 90 C ASN A 7 1.513 9.914 10.771 1.00 0.00 C ATOM 91 O ASN A 7 2.061 10.216 11.844 1.00 0.00 O ATOM 92 CB ASN A 7 -0.982 9.514 10.541 1.00 0.00 C ATOM 93 CG ASN A 7 -1.120 8.987 11.980 1.00 0.00 C ATOM 94 OD1 ASN A 7 -0.503 7.985 12.356 1.00 0.00 O ATOM 95 ND2 ASN A 7 -1.932 9.650 12.793 1.00 0.00 N ATOM 96 H ASN A 7 -0.577 10.753 8.367 1.00 0.00 H ATOM 97 HA ASN A 7 -0.035 11.411 10.984 1.00 0.00 H ATOM 98 HB2 ASN A 7 -1.918 9.973 10.254 1.00 0.00 H ATOM 99 HB3 ASN A 7 -0.804 8.671 9.879 1.00 0.00 H ATOM 100 HD21 ASN A 7 -2.403 10.433 12.440 1.00 0.00 H ATOM 101 HD22 ASN A 7 -2.045 9.310 13.704 1.00 0.00 H ATOM 102 N VAL A 8 2.048 9.063 9.875 1.00 0.00 N ATOM 103 CA VAL A 8 3.260 8.251 10.135 1.00 0.00 C ATOM 104 C VAL A 8 4.502 9.133 10.401 1.00 0.00 C ATOM 105 O VAL A 8 5.263 8.889 11.345 1.00 0.00 O ATOM 106 CB VAL A 8 3.562 7.278 8.931 1.00 0.00 C ATOM 107 CG1 VAL A 8 4.706 6.293 9.266 1.00 0.00 C ATOM 108 CG2 VAL A 8 2.287 6.523 8.495 1.00 0.00 C ATOM 109 H VAL A 8 1.607 8.973 9.006 1.00 0.00 H ATOM 110 HA VAL A 8 3.066 7.650 11.019 1.00 0.00 H ATOM 111 HB VAL A 8 3.896 7.884 8.085 1.00 0.00 H ATOM 112 HG11 VAL A 8 4.432 5.691 10.122 1.00 0.00 H ATOM 113 HG12 VAL A 8 5.600 6.852 9.496 1.00 0.00 H ATOM 114 HG13 VAL A 8 4.900 5.646 8.418 1.00 0.00 H ATOM 115 HG21 VAL A 8 1.528 7.241 8.211 1.00 0.00 H ATOM 116 HG22 VAL A 8 1.912 5.917 9.313 1.00 0.00 H ATOM 117 HG23 VAL A 8 2.508 5.887 7.649 1.00 0.00 H ATOM 118 N CYS A 9 4.668 10.169 9.566 1.00 0.00 N ATOM 119 CA CYS A 9 5.799 11.128 9.663 1.00 0.00 C ATOM 120 C CYS A 9 5.537 12.207 10.730 1.00 0.00 C ATOM 121 O CYS A 9 6.481 12.726 11.334 1.00 0.00 O ATOM 122 CB CYS A 9 6.028 11.824 8.309 1.00 0.00 C ATOM 123 SG CYS A 9 6.659 10.757 6.984 1.00 0.00 S ATOM 124 H CYS A 9 3.984 10.318 8.884 1.00 0.00 H ATOM 125 HA CYS A 9 6.695 10.576 9.927 1.00 0.00 H ATOM 126 HB2 CYS A 9 5.090 12.238 7.963 1.00 0.00 H ATOM 127 HB3 CYS A 9 6.729 12.631 8.442 1.00 0.00 H ATOM 128 N SER A 10 4.240 12.542 10.892 1.00 0.00 N ATOM 129 CA SER A 10 3.720 13.668 11.717 1.00 0.00 C ATOM 130 C SER A 10 3.902 15.018 10.986 1.00 0.00 C ATOM 131 O SER A 10 3.659 16.073 11.563 1.00 0.00 O ATOM 132 CB SER A 10 4.337 13.698 13.146 1.00 0.00 C ATOM 133 OG SER A 10 4.104 12.472 13.818 1.00 0.00 O ATOM 134 H SER A 10 3.580 12.018 10.406 1.00 0.00 H ATOM 135 HA SER A 10 2.649 13.503 11.813 1.00 0.00 H ATOM 136 HB2 SER A 10 5.405 13.854 13.079 1.00 0.00 H ATOM 137 HB3 SER A 10 3.892 14.495 13.726 1.00 0.00 H ATOM 138 HG SER A 10 4.702 11.804 13.469 1.00 0.00 H ATOM 139 N ARG A 11 4.311 14.957 9.700 1.00 0.00 N ATOM 140 CA ARG A 11 4.534 16.133 8.828 1.00 0.00 C ATOM 141 C ARG A 11 3.553 16.084 7.637 1.00 0.00 C ATOM 142 O ARG A 11 2.526 15.402 7.725 1.00 0.00 O ATOM 143 CB ARG A 11 6.021 16.141 8.367 1.00 0.00 C ATOM 144 CG ARG A 11 7.046 16.256 9.520 1.00 0.00 C ATOM 145 CD ARG A 11 6.893 17.556 10.327 1.00 0.00 C ATOM 146 NE ARG A 11 7.860 17.629 11.442 1.00 0.00 N ATOM 147 CZ ARG A 11 7.991 18.663 12.293 1.00 0.00 C ATOM 148 NH1 ARG A 11 7.182 19.720 12.224 1.00 0.00 N1+ ATOM 149 NH2 ARG A 11 8.928 18.631 13.230 1.00 0.00 N ATOM 150 H ARG A 11 4.451 14.074 9.310 1.00 0.00 H ATOM 151 HA ARG A 11 4.334 17.038 9.395 1.00 0.00 H ATOM 152 HB2 ARG A 11 6.225 15.223 7.824 1.00 0.00 H ATOM 153 HB3 ARG A 11 6.173 16.978 7.693 1.00 0.00 H ATOM 154 HG2 ARG A 11 6.911 15.419 10.198 1.00 0.00 H ATOM 155 HG3 ARG A 11 8.046 16.219 9.106 1.00 0.00 H ATOM 156 HD2 ARG A 11 7.045 18.398 9.662 1.00 0.00 H ATOM 157 HD3 ARG A 11 5.886 17.604 10.733 1.00 0.00 H ATOM 158 HE ARG A 11 8.459 16.855 11.555 1.00 0.00 H ATOM 159 HH11 ARG A 11 6.454 19.757 11.531 1.00 0.00 H ATOM 160 HH12 ARG A 11 7.303 20.490 12.857 1.00 0.00 H ATOM 161 HH21 ARG A 11 9.541 17.839 13.310 1.00 0.00 H ATOM 162 HH22 ARG A 11 9.034 19.406 13.861 1.00 0.00 H ATOM 163 N THR A 12 3.870 16.792 6.527 1.00 0.00 N ATOM 164 CA THR A 12 3.005 16.825 5.329 1.00 0.00 C ATOM 165 C THR A 12 3.750 17.365 4.085 1.00 0.00 C ATOM 166 O THR A 12 4.928 17.727 4.154 1.00 0.00 O ATOM 167 CB THR A 12 1.711 17.693 5.584 1.00 0.00 C ATOM 168 OG1 THR A 12 0.781 17.525 4.505 1.00 0.00 O ATOM 169 CG2 THR A 12 2.020 19.194 5.742 1.00 0.00 C ATOM 170 H THR A 12 4.709 17.293 6.512 1.00 0.00 H ATOM 171 HA THR A 12 2.693 15.807 5.117 1.00 0.00 H ATOM 172 HB THR A 12 1.238 17.342 6.495 1.00 0.00 H ATOM 173 HG1 THR A 12 0.163 16.831 4.730 1.00 0.00 H ATOM 174 HG21 THR A 12 2.707 19.341 6.564 1.00 0.00 H ATOM 175 HG22 THR A 12 1.104 19.735 5.945 1.00 0.00 H ATOM 176 HG23 THR A 12 2.465 19.582 4.831 1.00 0.00 H ATOM 177 N PHE A 13 3.033 17.371 2.943 1.00 0.00 N ATOM 178 CA PHE A 13 3.403 18.130 1.741 1.00 0.00 C ATOM 179 C PHE A 13 2.583 19.426 1.784 1.00 0.00 C ATOM 180 O PHE A 13 1.436 19.395 2.228 1.00 0.00 O ATOM 181 CB PHE A 13 3.064 17.321 0.453 1.00 0.00 C ATOM 182 CG PHE A 13 3.679 17.877 -0.842 1.00 0.00 C ATOM 183 CD1 PHE A 13 5.011 17.623 -1.168 1.00 0.00 C ATOM 184 CD2 PHE A 13 2.925 18.639 -1.734 1.00 0.00 C ATOM 185 CE1 PHE A 13 5.561 18.102 -2.344 1.00 0.00 C ATOM 186 CE2 PHE A 13 3.473 19.115 -2.911 1.00 0.00 C ATOM 187 CZ PHE A 13 4.792 18.850 -3.214 1.00 0.00 C ATOM 188 H PHE A 13 2.191 16.876 2.927 1.00 0.00 H ATOM 189 HA PHE A 13 4.464 18.360 1.773 1.00 0.00 H ATOM 190 HB2 PHE A 13 3.410 16.300 0.571 1.00 0.00 H ATOM 191 HB3 PHE A 13 1.980 17.285 0.325 1.00 0.00 H ATOM 192 HD1 PHE A 13 5.624 17.042 -0.489 1.00 0.00 H ATOM 193 HD2 PHE A 13 1.888 18.853 -1.501 1.00 0.00 H ATOM 194 HE1 PHE A 13 6.596 17.889 -2.582 1.00 0.00 H ATOM 195 HE2 PHE A 13 2.867 19.707 -3.587 1.00 0.00 H ATOM 196 HZ PHE A 13 5.222 19.222 -4.137 1.00 0.00 H ATOM 197 N PHE A 14 3.123 20.551 1.286 1.00 0.00 N ATOM 198 CA PHE A 14 2.434 21.872 1.362 1.00 0.00 C ATOM 199 C PHE A 14 1.336 22.025 0.272 1.00 0.00 C ATOM 200 O PHE A 14 0.882 23.137 -0.018 1.00 0.00 O ATOM 201 CB PHE A 14 3.487 23.010 1.294 1.00 0.00 C ATOM 202 CG PHE A 14 4.507 22.960 2.439 1.00 0.00 C ATOM 203 CD1 PHE A 14 5.658 22.174 2.345 1.00 0.00 C ATOM 204 CD2 PHE A 14 4.307 23.694 3.610 1.00 0.00 C ATOM 205 CE1 PHE A 14 6.569 22.121 3.382 1.00 0.00 C ATOM 206 CE2 PHE A 14 5.222 23.641 4.647 1.00 0.00 C ATOM 207 CZ PHE A 14 6.354 22.861 4.532 1.00 0.00 C ATOM 208 H PHE A 14 4.005 20.509 0.852 1.00 0.00 H ATOM 209 HA PHE A 14 1.938 21.933 2.328 1.00 0.00 H ATOM 210 HB2 PHE A 14 4.027 22.944 0.355 1.00 0.00 H ATOM 211 HB3 PHE A 14 2.983 23.972 1.332 1.00 0.00 H ATOM 212 HD1 PHE A 14 5.835 21.597 1.446 1.00 0.00 H ATOM 213 HD2 PHE A 14 3.418 24.306 3.707 1.00 0.00 H ATOM 214 HE1 PHE A 14 7.455 21.501 3.295 1.00 0.00 H ATOM 215 HE2 PHE A 14 5.057 24.223 5.543 1.00 0.00 H ATOM 216 HZ PHE A 14 7.069 22.823 5.345 1.00 0.00 H ATOM 217 N SER A 15 0.907 20.883 -0.301 1.00 0.00 N ATOM 218 CA SER A 15 -0.263 20.764 -1.182 1.00 0.00 C ATOM 219 C SER A 15 -0.895 19.370 -0.959 1.00 0.00 C ATOM 220 O SER A 15 -0.184 18.394 -0.670 1.00 0.00 O ATOM 221 CB SER A 15 0.140 20.968 -2.660 1.00 0.00 C ATOM 222 OG SER A 15 0.743 22.237 -2.871 1.00 0.00 O ATOM 223 H SER A 15 1.405 20.070 -0.114 1.00 0.00 H ATOM 224 HA SER A 15 -0.987 21.523 -0.896 1.00 0.00 H ATOM 225 HB2 SER A 15 0.847 20.204 -2.956 1.00 0.00 H ATOM 226 HB3 SER A 15 -0.740 20.895 -3.284 1.00 0.00 H ATOM 227 HG SER A 15 0.406 22.865 -2.218 1.00 0.00 H ATOM 228 N GLU A 16 -2.226 19.289 -1.099 1.00 0.00 N ATOM 229 CA GLU A 16 -3.027 18.112 -0.693 1.00 0.00 C ATOM 230 C GLU A 16 -2.757 16.885 -1.582 1.00 0.00 C ATOM 231 O GLU A 16 -2.485 15.799 -1.068 1.00 0.00 O ATOM 232 CB GLU A 16 -4.550 18.454 -0.684 1.00 0.00 C ATOM 233 CG GLU A 16 -4.987 19.526 0.348 1.00 0.00 C ATOM 234 CD GLU A 16 -4.428 20.943 0.076 1.00 0.00 C ATOM 235 OE1 GLU A 16 -4.983 21.661 -0.773 1.00 0.00 O1- ATOM 236 OE2 GLU A 16 -3.428 21.337 0.697 1.00 0.00 O ATOM 237 H GLU A 16 -2.695 20.059 -1.473 1.00 0.00 H ATOM 238 HA GLU A 16 -2.733 17.858 0.321 1.00 0.00 H ATOM 239 HB2 GLU A 16 -4.836 18.800 -1.673 1.00 0.00 H ATOM 240 HB3 GLU A 16 -5.112 17.547 -0.471 1.00 0.00 H ATOM 241 HG2 GLU A 16 -6.072 19.579 0.345 1.00 0.00 H ATOM 242 HG3 GLU A 16 -4.667 19.202 1.334 1.00 0.00 H ATOM 243 N ASN A 17 -2.780 17.080 -2.914 1.00 0.00 N ATOM 244 CA ASN A 17 -2.646 15.969 -3.897 1.00 0.00 C ATOM 245 C ASN A 17 -1.204 15.401 -3.870 1.00 0.00 C ATOM 246 O ASN A 17 -0.979 14.217 -4.154 1.00 0.00 O ATOM 247 CB ASN A 17 -3.030 16.477 -5.317 1.00 0.00 C ATOM 248 CG ASN A 17 -3.023 15.390 -6.410 1.00 0.00 C ATOM 249 OD1 ASN A 17 -4.025 14.724 -6.651 1.00 0.00 O ATOM 250 ND2 ASN A 17 -1.889 15.197 -7.073 1.00 0.00 N ATOM 251 H ASN A 17 -2.832 17.996 -3.257 1.00 0.00 H ATOM 252 HA ASN A 17 -3.335 15.186 -3.601 1.00 0.00 H ATOM 253 HB2 ASN A 17 -4.024 16.904 -5.272 1.00 0.00 H ATOM 254 HB3 ASN A 17 -2.335 17.259 -5.606 1.00 0.00 H ATOM 255 HD21 ASN A 17 -1.114 15.749 -6.832 1.00 0.00 H ATOM 256 HD22 ASN A 17 -1.867 14.513 -7.776 1.00 0.00 H ATOM 257 N GLY A 18 -0.248 16.276 -3.498 1.00 0.00 N ATOM 258 CA GLY A 18 1.155 15.900 -3.347 1.00 0.00 C ATOM 259 C GLY A 18 1.397 15.057 -2.098 1.00 0.00 C ATOM 260 O GLY A 18 2.234 14.159 -2.110 1.00 0.00 O ATOM 261 H GLY A 18 -0.521 17.201 -3.320 1.00 0.00 H ATOM 262 HA2 GLY A 18 1.471 15.342 -4.223 1.00 0.00 H ATOM 263 HA3 GLY A 18 1.751 16.802 -3.287 1.00 0.00 H ATOM 264 N LEU A 19 0.669 15.372 -1.010 1.00 0.00 N ATOM 265 CA LEU A 19 0.674 14.584 0.237 1.00 0.00 C ATOM 266 C LEU A 19 0.093 13.185 -0.005 1.00 0.00 C ATOM 267 O LEU A 19 0.595 12.197 0.537 1.00 0.00 O ATOM 268 CB LEU A 19 -0.114 15.367 1.324 1.00 0.00 C ATOM 269 CG LEU A 19 -0.083 14.826 2.808 1.00 0.00 C ATOM 270 CD1 LEU A 19 -1.193 13.788 3.093 1.00 0.00 C ATOM 271 CD2 LEU A 19 1.309 14.265 3.188 1.00 0.00 C ATOM 272 H LEU A 19 0.134 16.193 -1.029 1.00 0.00 H ATOM 273 HA LEU A 19 1.709 14.484 0.559 1.00 0.00 H ATOM 274 HB2 LEU A 19 0.273 16.375 1.327 1.00 0.00 H ATOM 275 HB3 LEU A 19 -1.146 15.428 0.999 1.00 0.00 H ATOM 276 HG LEU A 19 -0.275 15.664 3.475 1.00 0.00 H ATOM 277 HD11 LEU A 19 -1.116 13.438 4.115 1.00 0.00 H ATOM 278 HD12 LEU A 19 -1.098 12.949 2.420 1.00 0.00 H ATOM 279 HD13 LEU A 19 -2.162 14.254 2.952 1.00 0.00 H ATOM 280 HD21 LEU A 19 1.535 13.394 2.582 1.00 0.00 H ATOM 281 HD22 LEU A 19 1.310 13.985 4.230 1.00 0.00 H ATOM 282 HD23 LEU A 19 2.068 15.021 3.025 1.00 0.00 H ATOM 283 N ARG A 20 -0.982 13.135 -0.791 1.00 0.00 N ATOM 284 CA ARG A 20 -1.589 11.869 -1.247 1.00 0.00 C ATOM 285 C ARG A 20 -0.578 11.009 -2.040 1.00 0.00 C ATOM 286 O ARG A 20 -0.578 9.780 -1.921 1.00 0.00 O ATOM 287 CB ARG A 20 -2.848 12.144 -2.104 1.00 0.00 C ATOM 288 CG ARG A 20 -3.945 12.963 -1.389 1.00 0.00 C ATOM 289 CD ARG A 20 -4.501 12.270 -0.127 1.00 0.00 C ATOM 290 NE ARG A 20 -5.135 10.965 -0.418 1.00 0.00 N ATOM 291 CZ ARG A 20 -5.475 10.052 0.509 1.00 0.00 C ATOM 292 NH1 ARG A 20 -5.219 10.255 1.800 1.00 0.00 N1+ ATOM 293 NH2 ARG A 20 -6.059 8.929 0.131 1.00 0.00 N ATOM 294 H ARG A 20 -1.410 13.987 -1.033 1.00 0.00 H ATOM 295 HA ARG A 20 -1.890 11.321 -0.360 1.00 0.00 H ATOM 296 HB2 ARG A 20 -2.553 12.685 -2.998 1.00 0.00 H ATOM 297 HB3 ARG A 20 -3.281 11.194 -2.406 1.00 0.00 H ATOM 298 HG2 ARG A 20 -3.531 13.921 -1.099 1.00 0.00 H ATOM 299 HG3 ARG A 20 -4.756 13.130 -2.084 1.00 0.00 H ATOM 300 HD2 ARG A 20 -3.691 12.118 0.578 1.00 0.00 H ATOM 301 HD3 ARG A 20 -5.240 12.922 0.325 1.00 0.00 H ATOM 302 HE ARG A 20 -5.336 10.771 -1.351 1.00 0.00 H ATOM 303 HH11 ARG A 20 -4.775 11.102 2.108 1.00 0.00 H ATOM 304 HH12 ARG A 20 -5.475 9.563 2.480 1.00 0.00 H ATOM 305 HH21 ARG A 20 -6.251 8.765 -0.835 1.00 0.00 H ATOM 306 HH22 ARG A 20 -6.322 8.238 0.817 1.00 0.00 H ATOM 307 N GLU A 21 0.278 11.672 -2.840 1.00 0.00 N ATOM 308 CA GLU A 21 1.353 11.015 -3.606 1.00 0.00 C ATOM 309 C GLU A 21 2.471 10.514 -2.658 1.00 0.00 C ATOM 310 O GLU A 21 3.041 9.438 -2.858 1.00 0.00 O ATOM 311 CB GLU A 21 1.928 11.994 -4.683 1.00 0.00 C ATOM 312 CG GLU A 21 2.004 11.416 -6.111 1.00 0.00 C ATOM 313 CD GLU A 21 0.619 11.217 -6.749 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.040 12.210 -7.226 1.00 0.00 O1- ATOM 315 OE2 GLU A 21 0.086 10.083 -6.742 1.00 0.00 O ATOM 316 H GLU A 21 0.172 12.640 -2.936 1.00 0.00 H ATOM 317 HA GLU A 21 0.913 10.162 -4.099 1.00 0.00 H ATOM 318 HB2 GLU A 21 1.310 12.881 -4.716 1.00 0.00 H ATOM 319 HB3 GLU A 21 2.929 12.300 -4.394 1.00 0.00 H ATOM 320 HG2 GLU A 21 2.584 12.102 -6.728 1.00 0.00 H ATOM 321 HG3 GLU A 21 2.517 10.462 -6.073 1.00 0.00 H ATOM 322 N HIS A 22 2.766 11.330 -1.633 1.00 0.00 N ATOM 323 CA HIS A 22 3.750 11.021 -0.582 1.00 0.00 C ATOM 324 C HIS A 22 3.311 9.788 0.235 1.00 0.00 C ATOM 325 O HIS A 22 4.140 8.974 0.633 1.00 0.00 O ATOM 326 CB HIS A 22 3.934 12.267 0.336 1.00 0.00 C ATOM 327 CG HIS A 22 4.681 12.006 1.615 1.00 0.00 C ATOM 328 ND1 HIS A 22 6.046 11.973 1.724 1.00 0.00 N ATOM 329 CD2 HIS A 22 4.202 11.684 2.841 1.00 0.00 C ATOM 330 CE1 HIS A 22 6.346 11.623 2.984 1.00 0.00 C ATOM 331 NE2 HIS A 22 5.253 11.431 3.706 1.00 0.00 N ATOM 332 H HIS A 22 2.288 12.176 -1.571 1.00 0.00 H ATOM 333 HA HIS A 22 4.696 10.802 -1.072 1.00 0.00 H ATOM 334 HB2 HIS A 22 4.474 13.030 -0.204 1.00 0.00 H ATOM 335 HB3 HIS A 22 2.957 12.658 0.599 1.00 0.00 H ATOM 336 HD1 HIS A 22 6.687 12.184 1.012 1.00 0.00 H ATOM 337 HD2 HIS A 22 3.156 11.622 3.116 1.00 0.00 H ATOM 338 HE1 HIS A 22 7.353 11.522 3.367 1.00 0.00 H ATOM 339 N LEU A 23 2.001 9.689 0.476 1.00 0.00 N ATOM 340 CA LEU A 23 1.369 8.617 1.259 1.00 0.00 C ATOM 341 C LEU A 23 1.676 7.214 0.680 1.00 0.00 C ATOM 342 O LEU A 23 1.756 6.225 1.428 1.00 0.00 O ATOM 343 CB LEU A 23 -0.154 8.941 1.309 1.00 0.00 C ATOM 344 CG LEU A 23 -1.115 7.936 2.036 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.339 8.675 2.623 1.00 0.00 C ATOM 346 CD2 LEU A 23 -1.595 6.818 1.086 1.00 0.00 C ATOM 347 H LEU A 23 1.416 10.382 0.118 1.00 0.00 H ATOM 348 HA LEU A 23 1.763 8.673 2.263 1.00 0.00 H ATOM 349 HB2 LEU A 23 -0.251 9.909 1.795 1.00 0.00 H ATOM 350 HB3 LEU A 23 -0.499 9.061 0.286 1.00 0.00 H ATOM 351 HG LEU A 23 -0.587 7.474 2.858 1.00 0.00 H ATOM 352 HD11 LEU A 23 -2.899 9.152 1.823 1.00 0.00 H ATOM 353 HD12 LEU A 23 -2.007 9.429 3.322 1.00 0.00 H ATOM 354 HD13 LEU A 23 -2.982 7.971 3.136 1.00 0.00 H ATOM 355 HD21 LEU A 23 -0.744 6.260 0.725 1.00 0.00 H ATOM 356 HD22 LEU A 23 -2.120 7.253 0.242 1.00 0.00 H ATOM 357 HD23 LEU A 23 -2.260 6.149 1.616 1.00 0.00 H ATOM 358 N GLN A 24 1.895 7.158 -0.645 1.00 0.00 N ATOM 359 CA GLN A 24 2.153 5.910 -1.379 1.00 0.00 C ATOM 360 C GLN A 24 3.478 5.221 -0.959 1.00 0.00 C ATOM 361 O GLN A 24 3.631 4.009 -1.156 1.00 0.00 O ATOM 362 CB GLN A 24 2.131 6.201 -2.895 1.00 0.00 C ATOM 363 CG GLN A 24 0.796 6.786 -3.409 1.00 0.00 C ATOM 364 CD GLN A 24 -0.416 5.830 -3.380 1.00 0.00 C ATOM 365 OE1 GLN A 24 -0.540 4.941 -2.537 1.00 0.00 O ATOM 366 NE2 GLN A 24 -1.334 6.019 -4.322 1.00 0.00 N ATOM 367 H GLN A 24 1.884 7.995 -1.157 1.00 0.00 H ATOM 368 HA GLN A 24 1.336 5.237 -1.165 1.00 0.00 H ATOM 369 HB2 GLN A 24 2.923 6.910 -3.127 1.00 0.00 H ATOM 370 HB3 GLN A 24 2.330 5.282 -3.437 1.00 0.00 H ATOM 371 HG2 GLN A 24 0.551 7.654 -2.813 1.00 0.00 H ATOM 372 HG3 GLN A 24 0.951 7.105 -4.422 1.00 0.00 H ATOM 373 HE21 GLN A 24 -1.188 6.742 -4.970 1.00 0.00 H ATOM 374 HE22 GLN A 24 -2.115 5.429 -4.337 1.00 0.00 H ATOM 375 N THR A 25 4.411 5.987 -0.342 1.00 0.00 N ATOM 376 CA THR A 25 5.700 5.453 0.133 1.00 0.00 C ATOM 377 C THR A 25 5.503 4.548 1.369 1.00 0.00 C ATOM 378 O THR A 25 6.289 3.629 1.610 1.00 0.00 O ATOM 379 CB THR A 25 6.697 6.608 0.478 1.00 0.00 C ATOM 380 OG1 THR A 25 6.190 7.398 1.569 1.00 0.00 O ATOM 381 CG2 THR A 25 6.953 7.524 -0.733 1.00 0.00 C ATOM 382 H THR A 25 4.205 6.931 -0.176 1.00 0.00 H ATOM 383 HA THR A 25 6.133 4.858 -0.667 1.00 0.00 H ATOM 384 HB THR A 25 7.638 6.172 0.781 1.00 0.00 H ATOM 385 HG1 THR A 25 6.036 8.300 1.265 1.00 0.00 H ATOM 386 HG21 THR A 25 7.372 6.949 -1.549 1.00 0.00 H ATOM 387 HG22 THR A 25 7.646 8.311 -0.458 1.00 0.00 H ATOM 388 HG23 THR A 25 6.019 7.970 -1.048 1.00 0.00 H ATOM 389 N HIS A 26 4.409 4.801 2.115 1.00 0.00 N ATOM 390 CA HIS A 26 4.071 4.057 3.349 1.00 0.00 C ATOM 391 C HIS A 26 3.164 2.858 3.041 1.00 0.00 C ATOM 392 O HIS A 26 2.835 2.067 3.932 1.00 0.00 O ATOM 393 CB HIS A 26 3.410 4.996 4.378 1.00 0.00 C ATOM 394 CG HIS A 26 4.281 6.158 4.750 1.00 0.00 C ATOM 395 ND1 HIS A 26 5.323 6.083 5.643 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.257 7.440 4.319 1.00 0.00 C ATOM 397 CE1 HIS A 26 5.880 7.292 5.721 1.00 0.00 C ATOM 398 NE2 HIS A 26 5.270 8.161 4.938 1.00 0.00 N ATOM 399 H HIS A 26 3.784 5.486 1.793 1.00 0.00 H ATOM 400 HA HIS A 26 4.993 3.673 3.769 1.00 0.00 H ATOM 401 HB2 HIS A 26 2.487 5.383 3.966 1.00 0.00 H ATOM 402 HB3 HIS A 26 3.188 4.444 5.285 1.00 0.00 H ATOM 403 HD1 HIS A 26 5.606 5.287 6.146 1.00 0.00 H ATOM 404 HD2 HIS A 26 3.567 7.851 3.596 1.00 0.00 H ATOM 405 HE1 HIS A 26 6.735 7.530 6.337 1.00 0.00 H ATOM 501 N TYR A 33 7.353 -2.476 -13.656 1.00 0.00 N ATOM 502 CA TYR A 33 7.534 -2.073 -15.055 1.00 0.00 C ATOM 503 C TYR A 33 7.285 -3.300 -15.936 1.00 0.00 C ATOM 504 O TYR A 33 8.197 -4.081 -16.238 1.00 0.00 O ATOM 505 CB TYR A 33 8.939 -1.415 -15.289 1.00 0.00 C ATOM 506 CG TYR A 33 10.046 -1.850 -14.305 1.00 0.00 C ATOM 507 CD1 TYR A 33 10.621 -3.121 -14.374 1.00 0.00 C ATOM 508 CD2 TYR A 33 10.515 -0.983 -13.310 1.00 0.00 C ATOM 509 CE1 TYR A 33 11.613 -3.508 -13.495 1.00 0.00 C ATOM 510 CE2 TYR A 33 11.508 -1.374 -12.431 1.00 0.00 C ATOM 511 CZ TYR A 33 12.053 -2.636 -12.530 1.00 0.00 C ATOM 512 OH TYR A 33 13.048 -3.021 -11.663 1.00 0.00 O ATOM 513 H TYR A 33 7.820 -3.288 -13.358 1.00 0.00 H ATOM 514 HA TYR A 33 6.763 -1.335 -15.292 1.00 0.00 H ATOM 515 HB2 TYR A 33 9.282 -1.641 -16.292 1.00 0.00 H ATOM 516 HB3 TYR A 33 8.827 -0.337 -15.211 1.00 0.00 H ATOM 517 HD1 TYR A 33 10.282 -3.810 -15.135 1.00 0.00 H ATOM 518 HD2 TYR A 33 10.088 0.010 -13.230 1.00 0.00 H ATOM 519 HE1 TYR A 33 12.042 -4.497 -13.568 1.00 0.00 H ATOM 520 HE2 TYR A 33 11.851 -0.685 -11.667 1.00 0.00 H ATOM 521 HH TYR A 33 13.760 -3.425 -12.167 1.00 0.00 H ATOM 522 N MET A 34 6.013 -3.467 -16.310 1.00 0.00 N ATOM 523 CA MET A 34 5.507 -4.662 -16.991 1.00 0.00 C ATOM 524 C MET A 34 4.806 -4.269 -18.287 1.00 0.00 C ATOM 525 O MET A 34 3.928 -3.405 -18.275 1.00 0.00 O ATOM 526 CB MET A 34 4.522 -5.408 -16.049 1.00 0.00 C ATOM 527 CG MET A 34 3.874 -6.664 -16.648 1.00 0.00 C ATOM 528 SD MET A 34 2.797 -7.521 -15.475 1.00 0.00 S ATOM 529 CE MET A 34 1.551 -6.277 -15.116 1.00 0.00 C ATOM 530 H MET A 34 5.378 -2.743 -16.129 1.00 0.00 H ATOM 531 HA MET A 34 6.346 -5.318 -17.220 1.00 0.00 H ATOM 532 HB2 MET A 34 5.053 -5.706 -15.149 1.00 0.00 H ATOM 533 HB3 MET A 34 3.726 -4.727 -15.761 1.00 0.00 H ATOM 534 HG2 MET A 34 3.288 -6.384 -17.515 1.00 0.00 H ATOM 535 HG3 MET A 34 4.657 -7.349 -16.959 1.00 0.00 H ATOM 536 HE1 MET A 34 2.016 -5.413 -14.666 1.00 0.00 H ATOM 537 HE2 MET A 34 0.818 -6.690 -14.429 1.00 0.00 H ATOM 538 HE3 MET A 34 1.059 -5.984 -16.026 1.00 0.00 H ATOM 539 N CYS A 35 5.208 -4.896 -19.400 1.00 0.00 N ATOM 540 CA CYS A 35 4.526 -4.729 -20.687 1.00 0.00 C ATOM 541 C CYS A 35 3.300 -5.674 -20.773 1.00 0.00 C ATOM 542 O CYS A 35 3.449 -6.871 -20.517 1.00 0.00 O ATOM 543 CB CYS A 35 5.497 -5.042 -21.825 1.00 0.00 C ATOM 544 SG CYS A 35 4.701 -5.047 -23.458 1.00 0.00 S ATOM 545 H CYS A 35 5.983 -5.503 -19.361 1.00 0.00 H ATOM 546 HA CYS A 35 4.200 -3.697 -20.779 1.00 0.00 H ATOM 547 HB2 CYS A 35 6.299 -4.330 -21.838 1.00 0.00 H ATOM 548 HB3 CYS A 35 5.916 -6.017 -21.667 1.00 0.00 H ATOM 549 N PRO A 36 2.073 -5.151 -21.077 1.00 0.00 N ATOM 550 CA PRO A 36 0.903 -5.990 -21.441 1.00 0.00 C ATOM 551 C PRO A 36 1.215 -7.087 -22.497 1.00 0.00 C ATOM 552 O PRO A 36 0.940 -8.265 -22.257 1.00 0.00 O ATOM 553 CB PRO A 36 -0.103 -4.954 -21.998 1.00 0.00 C ATOM 554 CG PRO A 36 0.191 -3.707 -21.222 1.00 0.00 C ATOM 555 CD PRO A 36 1.690 -3.711 -20.975 1.00 0.00 C ATOM 556 HA PRO A 36 0.488 -6.465 -20.557 1.00 0.00 H ATOM 557 HB2 PRO A 36 0.061 -4.804 -23.065 1.00 0.00 H ATOM 558 HB3 PRO A 36 -1.118 -5.293 -21.835 1.00 0.00 H ATOM 559 HG2 PRO A 36 -0.098 -2.833 -21.799 1.00 0.00 H ATOM 560 HG3 PRO A 36 -0.345 -3.720 -20.278 1.00 0.00 H ATOM 561 HD2 PRO A 36 2.204 -3.122 -21.728 1.00 0.00 H ATOM 562 HD3 PRO A 36 1.915 -3.323 -19.987 1.00 0.00 H ATOM 563 N ILE A 37 1.809 -6.693 -23.643 1.00 0.00 N ATOM 564 CA ILE A 37 2.002 -7.597 -24.786 1.00 0.00 C ATOM 565 C ILE A 37 3.097 -8.674 -24.547 1.00 0.00 C ATOM 566 O ILE A 37 2.809 -9.870 -24.644 1.00 0.00 O ATOM 567 CB ILE A 37 2.347 -6.728 -26.060 1.00 0.00 C ATOM 568 CG1 ILE A 37 1.121 -5.828 -26.443 1.00 0.00 C ATOM 569 CG2 ILE A 37 2.820 -7.597 -27.254 1.00 0.00 C ATOM 570 CD1 ILE A 37 1.329 -4.924 -27.642 1.00 0.00 C ATOM 571 H ILE A 37 2.092 -5.760 -23.738 1.00 0.00 H ATOM 572 HA ILE A 37 1.054 -8.096 -24.977 1.00 0.00 H ATOM 573 HB ILE A 37 3.182 -6.077 -25.790 1.00 0.00 H ATOM 574 HG12 ILE A 37 0.276 -6.462 -26.669 1.00 0.00 H ATOM 575 HG13 ILE A 37 0.861 -5.196 -25.598 1.00 0.00 H ATOM 576 HG21 ILE A 37 2.052 -8.319 -27.513 1.00 0.00 H ATOM 577 HG22 ILE A 37 3.722 -8.126 -26.970 1.00 0.00 H ATOM 578 HG23 ILE A 37 3.036 -6.970 -28.113 1.00 0.00 H ATOM 579 HD11 ILE A 37 2.155 -4.258 -27.450 1.00 0.00 H ATOM 580 HD12 ILE A 37 0.431 -4.341 -27.809 1.00 0.00 H ATOM 581 HD13 ILE A 37 1.536 -5.519 -28.519 1.00 0.00 H ATOM 582 N CYS A 38 4.331 -8.264 -24.208 1.00 0.00 N ATOM 583 CA CYS A 38 5.468 -9.217 -24.111 1.00 0.00 C ATOM 584 C CYS A 38 5.898 -9.447 -22.638 1.00 0.00 C ATOM 585 O CYS A 38 6.127 -10.587 -22.214 1.00 0.00 O ATOM 586 CB CYS A 38 6.639 -8.697 -24.991 1.00 0.00 C ATOM 587 SG CYS A 38 6.218 -7.359 -26.180 1.00 0.00 S ATOM 588 H CYS A 38 4.496 -7.315 -24.112 1.00 0.00 H ATOM 589 HA CYS A 38 5.149 -10.172 -24.508 1.00 0.00 H ATOM 590 HB2 CYS A 38 7.430 -8.327 -24.370 1.00 0.00 H ATOM 591 HB3 CYS A 38 7.019 -9.515 -25.579 1.00 0.00 H ATOM 592 N GLY A 39 5.993 -8.352 -21.870 1.00 0.00 N ATOM 593 CA GLY A 39 6.110 -8.396 -20.407 1.00 0.00 C ATOM 594 C GLY A 39 7.536 -8.417 -19.874 1.00 0.00 C ATOM 595 O GLY A 39 7.809 -9.019 -18.836 1.00 0.00 O ATOM 596 H GLY A 39 6.039 -7.497 -22.300 1.00 0.00 H ATOM 597 HA2 GLY A 39 5.620 -7.504 -20.024 1.00 0.00 H ATOM 598 HA3 GLY A 39 5.585 -9.259 -20.040 1.00 0.00 H ATOM 599 N GLU A 40 8.443 -7.781 -20.599 1.00 0.00 N ATOM 600 CA GLU A 40 9.846 -7.603 -20.180 1.00 0.00 C ATOM 601 C GLU A 40 9.992 -6.468 -19.151 1.00 0.00 C ATOM 602 O GLU A 40 9.078 -5.654 -18.961 1.00 0.00 O ATOM 603 CB GLU A 40 10.766 -7.360 -21.405 1.00 0.00 C ATOM 604 CG GLU A 40 10.331 -6.222 -22.354 1.00 0.00 C ATOM 605 CD GLU A 40 9.263 -6.642 -23.375 1.00 0.00 C ATOM 606 OE1 GLU A 40 9.618 -7.250 -24.397 1.00 0.00 O1- ATOM 607 OE2 GLU A 40 8.060 -6.391 -23.149 1.00 0.00 O ATOM 608 H GLU A 40 8.173 -7.484 -21.475 1.00 0.00 H ATOM 609 HA GLU A 40 10.160 -8.528 -19.701 1.00 0.00 H ATOM 610 HB2 GLU A 40 11.760 -7.138 -21.039 1.00 0.00 H ATOM 611 HB3 GLU A 40 10.822 -8.281 -21.979 1.00 0.00 H ATOM 612 HG2 GLU A 40 9.948 -5.397 -21.758 1.00 0.00 H ATOM 613 HG3 GLU A 40 11.196 -5.873 -22.889 1.00 0.00 H ATOM 614 N ARG A 41 11.156 -6.449 -18.483 1.00 0.00 N ATOM 615 CA ARG A 41 11.468 -5.511 -17.399 1.00 0.00 C ATOM 616 C ARG A 41 12.622 -4.592 -17.838 1.00 0.00 C ATOM 617 O ARG A 41 13.580 -5.052 -18.466 1.00 0.00 O ATOM 618 CB ARG A 41 11.868 -6.276 -16.090 1.00 0.00 C ATOM 619 CG ARG A 41 10.807 -7.272 -15.538 1.00 0.00 C ATOM 620 CD ARG A 41 10.813 -8.633 -16.264 1.00 0.00 C ATOM 621 NE ARG A 41 9.622 -9.438 -15.950 1.00 0.00 N ATOM 622 CZ ARG A 41 9.290 -10.596 -16.536 1.00 0.00 C ATOM 623 NH1 ARG A 41 10.114 -11.183 -17.395 1.00 0.00 N1+ ATOM 624 NH2 ARG A 41 8.124 -11.163 -16.256 1.00 0.00 N ATOM 625 H ARG A 41 11.846 -7.093 -18.738 1.00 0.00 H ATOM 626 HA ARG A 41 10.588 -4.899 -17.196 1.00 0.00 H ATOM 627 HB2 ARG A 41 12.782 -6.826 -16.274 1.00 0.00 H ATOM 628 HB3 ARG A 41 12.069 -5.542 -15.313 1.00 0.00 H ATOM 629 HG2 ARG A 41 10.996 -7.447 -14.483 1.00 0.00 H ATOM 630 HG3 ARG A 41 9.824 -6.823 -15.645 1.00 0.00 H ATOM 631 HD2 ARG A 41 10.845 -8.460 -17.336 1.00 0.00 H ATOM 632 HD3 ARG A 41 11.700 -9.180 -15.970 1.00 0.00 H ATOM 633 HE ARG A 41 9.009 -9.065 -15.279 1.00 0.00 H ATOM 634 HH11 ARG A 41 11.004 -10.769 -17.606 1.00 0.00 H ATOM 635 HH12 ARG A 41 9.853 -12.045 -17.838 1.00 0.00 H ATOM 636 HH21 ARG A 41 7.498 -10.728 -15.603 1.00 0.00 H ATOM 637 HH22 ARG A 41 7.862 -12.026 -16.695 1.00 0.00 H ATOM 638 N PHE A 42 12.510 -3.300 -17.514 1.00 0.00 N ATOM 639 CA PHE A 42 13.538 -2.280 -17.812 1.00 0.00 C ATOM 640 C PHE A 42 13.958 -1.563 -16.507 1.00 0.00 C ATOM 641 O PHE A 42 13.225 -1.652 -15.525 1.00 0.00 O ATOM 642 CB PHE A 42 12.978 -1.294 -18.871 1.00 0.00 C ATOM 643 CG PHE A 42 12.836 -1.913 -20.265 1.00 0.00 C ATOM 644 CD1 PHE A 42 13.942 -2.012 -21.113 1.00 0.00 C ATOM 645 CD2 PHE A 42 11.622 -2.410 -20.712 1.00 0.00 C ATOM 646 CE1 PHE A 42 13.826 -2.584 -22.369 1.00 0.00 C ATOM 647 CE2 PHE A 42 11.508 -2.978 -21.961 1.00 0.00 C ATOM 648 CZ PHE A 42 12.608 -3.067 -22.791 1.00 0.00 C ATOM 649 H PHE A 42 11.689 -3.006 -17.064 1.00 0.00 H ATOM 650 HA PHE A 42 14.414 -2.777 -18.220 1.00 0.00 H ATOM 651 HB2 PHE A 42 12.005 -0.935 -18.550 1.00 0.00 H ATOM 652 HB3 PHE A 42 13.647 -0.444 -18.951 1.00 0.00 H ATOM 653 HD1 PHE A 42 14.904 -1.634 -20.784 1.00 0.00 H ATOM 654 HD2 PHE A 42 10.749 -2.343 -20.073 1.00 0.00 H ATOM 655 HE1 PHE A 42 14.689 -2.654 -23.016 1.00 0.00 H ATOM 656 HE2 PHE A 42 10.550 -3.360 -22.294 1.00 0.00 H ATOM 657 HZ PHE A 42 12.509 -3.516 -23.773 1.00 0.00 H ATOM 658 N PRO A 43 15.154 -0.853 -16.468 1.00 0.00 N ATOM 659 CA PRO A 43 15.690 -0.181 -15.239 1.00 0.00 C ATOM 660 C PRO A 43 14.658 0.671 -14.465 1.00 0.00 C ATOM 661 O PRO A 43 14.790 0.828 -13.251 1.00 0.00 O ATOM 662 CB PRO A 43 16.864 0.697 -15.773 1.00 0.00 C ATOM 663 CG PRO A 43 16.727 0.665 -17.271 1.00 0.00 C ATOM 664 CD PRO A 43 16.102 -0.669 -17.590 1.00 0.00 C ATOM 665 HA PRO A 43 16.089 -0.926 -14.558 1.00 0.00 H ATOM 666 HB2 PRO A 43 16.797 1.718 -15.391 1.00 0.00 H ATOM 667 HB3 PRO A 43 17.809 0.267 -15.454 1.00 0.00 H ATOM 668 HG2 PRO A 43 16.080 1.471 -17.608 1.00 0.00 H ATOM 669 HG3 PRO A 43 17.703 0.753 -17.739 1.00 0.00 H ATOM 670 HD2 PRO A 43 15.578 -0.626 -18.538 1.00 0.00 H ATOM 671 HD3 PRO A 43 16.843 -1.460 -17.606 1.00 0.00 H ATOM 672 N SER A 44 13.642 1.201 -15.173 1.00 0.00 N ATOM 673 CA SER A 44 12.539 1.945 -14.546 1.00 0.00 C ATOM 674 C SER A 44 11.281 1.921 -15.434 1.00 0.00 C ATOM 675 O SER A 44 11.284 1.374 -16.548 1.00 0.00 O ATOM 676 CB SER A 44 12.957 3.400 -14.228 1.00 0.00 C ATOM 677 OG SER A 44 12.032 4.023 -13.344 1.00 0.00 O ATOM 678 H SER A 44 13.635 1.081 -16.147 1.00 0.00 H ATOM 679 HA SER A 44 12.289 1.441 -13.613 1.00 0.00 H ATOM 680 HB2 SER A 44 13.923 3.407 -13.762 1.00 0.00 H ATOM 681 HB3 SER A 44 12.996 3.979 -15.143 1.00 0.00 H ATOM 682 HG SER A 44 12.505 4.348 -12.568 1.00 0.00 H ATOM 683 N LEU A 45 10.221 2.572 -14.930 1.00 0.00 N ATOM 684 CA LEU A 45 8.884 2.624 -15.559 1.00 0.00 C ATOM 685 C LEU A 45 8.816 3.805 -16.573 1.00 0.00 C ATOM 686 O LEU A 45 7.777 4.435 -16.782 1.00 0.00 O ATOM 687 CB LEU A 45 7.823 2.732 -14.412 1.00 0.00 C ATOM 688 CG LEU A 45 6.308 2.628 -14.810 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.018 1.331 -15.591 1.00 0.00 C ATOM 690 CD2 LEU A 45 5.398 2.732 -13.562 1.00 0.00 C ATOM 691 H LEU A 45 10.356 3.073 -14.098 1.00 0.00 H ATOM 692 HA LEU A 45 8.730 1.693 -16.098 1.00 0.00 H ATOM 693 HB2 LEU A 45 8.033 1.938 -13.698 1.00 0.00 H ATOM 694 HB3 LEU A 45 7.975 3.678 -13.899 1.00 0.00 H ATOM 695 HG LEU A 45 6.061 3.456 -15.466 1.00 0.00 H ATOM 696 HD11 LEU A 45 4.965 1.283 -15.830 1.00 0.00 H ATOM 697 HD12 LEU A 45 6.287 0.475 -14.987 1.00 0.00 H ATOM 698 HD13 LEU A 45 6.591 1.317 -16.509 1.00 0.00 H ATOM 699 HD21 LEU A 45 5.628 1.927 -12.874 1.00 0.00 H ATOM 700 HD22 LEU A 45 4.362 2.658 -13.862 1.00 0.00 H ATOM 701 HD23 LEU A 45 5.556 3.684 -13.069 1.00 0.00 H ATOM 702 N LEU A 46 9.942 4.041 -17.265 1.00 0.00 N ATOM 703 CA LEU A 46 10.129 5.174 -18.190 1.00 0.00 C ATOM 704 C LEU A 46 10.682 4.585 -19.491 1.00 0.00 C ATOM 705 O LEU A 46 10.132 4.801 -20.568 1.00 0.00 O ATOM 706 CB LEU A 46 11.110 6.261 -17.629 1.00 0.00 C ATOM 707 CG LEU A 46 10.612 7.176 -16.449 1.00 0.00 C ATOM 708 CD1 LEU A 46 9.236 7.799 -16.761 1.00 0.00 C ATOM 709 CD2 LEU A 46 10.608 6.440 -15.088 1.00 0.00 C ATOM 710 H LEU A 46 10.639 3.362 -17.251 1.00 0.00 H ATOM 711 HA LEU A 46 9.158 5.622 -18.392 1.00 0.00 H ATOM 712 HB2 LEU A 46 12.014 5.757 -17.302 1.00 0.00 H ATOM 713 HB3 LEU A 46 11.385 6.914 -18.451 1.00 0.00 H ATOM 714 HG LEU A 46 11.309 8.006 -16.351 1.00 0.00 H ATOM 715 HD11 LEU A 46 8.948 8.456 -15.955 1.00 0.00 H ATOM 716 HD12 LEU A 46 8.490 7.018 -16.867 1.00 0.00 H ATOM 717 HD13 LEU A 46 9.289 8.368 -17.681 1.00 0.00 H ATOM 718 HD21 LEU A 46 11.603 6.075 -14.874 1.00 0.00 H ATOM 719 HD22 LEU A 46 9.924 5.606 -15.128 1.00 0.00 H ATOM 720 HD23 LEU A 46 10.300 7.119 -14.301 1.00 0.00 H ATOM 721 N THR A 47 11.767 3.810 -19.346 1.00 0.00 N ATOM 722 CA THR A 47 12.344 2.994 -20.426 1.00 0.00 C ATOM 723 C THR A 47 11.360 1.886 -20.883 1.00 0.00 C ATOM 724 O THR A 47 11.360 1.488 -22.051 1.00 0.00 O ATOM 725 CB THR A 47 13.705 2.383 -19.960 1.00 0.00 C ATOM 726 OG1 THR A 47 13.548 1.815 -18.644 1.00 0.00 O ATOM 727 CG2 THR A 47 14.835 3.437 -19.926 1.00 0.00 C ATOM 728 H THR A 47 12.219 3.817 -18.475 1.00 0.00 H ATOM 729 HA THR A 47 12.537 3.652 -21.267 1.00 0.00 H ATOM 730 HB THR A 47 13.995 1.590 -20.648 1.00 0.00 H ATOM 731 HG1 THR A 47 14.269 1.202 -18.481 1.00 0.00 H ATOM 732 HG21 THR A 47 14.580 4.227 -19.228 1.00 0.00 H ATOM 733 HG22 THR A 47 14.973 3.864 -20.910 1.00 0.00 H ATOM 734 HG23 THR A 47 15.758 2.968 -19.612 1.00 0.00 H ATOM 735 N LEU A 48 10.513 1.412 -19.945 1.00 0.00 N ATOM 736 CA LEU A 48 9.408 0.472 -20.239 1.00 0.00 C ATOM 737 C LEU A 48 8.341 1.153 -21.135 1.00 0.00 C ATOM 738 O LEU A 48 7.731 0.504 -22.000 1.00 0.00 O ATOM 739 CB LEU A 48 8.828 -0.047 -18.882 1.00 0.00 C ATOM 740 CG LEU A 48 7.720 -1.175 -18.895 1.00 0.00 C ATOM 741 CD1 LEU A 48 6.300 -0.615 -19.135 1.00 0.00 C ATOM 742 CD2 LEU A 48 8.057 -2.302 -19.903 1.00 0.00 C ATOM 743 H LEU A 48 10.656 1.682 -19.013 1.00 0.00 H ATOM 744 HA LEU A 48 9.828 -0.370 -20.781 1.00 0.00 H ATOM 745 HB2 LEU A 48 9.664 -0.424 -18.298 1.00 0.00 H ATOM 746 HB3 LEU A 48 8.428 0.809 -18.350 1.00 0.00 H ATOM 747 HG LEU A 48 7.703 -1.632 -17.911 1.00 0.00 H ATOM 748 HD11 LEU A 48 6.062 0.107 -18.367 1.00 0.00 H ATOM 749 HD12 LEU A 48 5.579 -1.420 -19.099 1.00 0.00 H ATOM 750 HD13 LEU A 48 6.254 -0.136 -20.107 1.00 0.00 H ATOM 751 HD21 LEU A 48 7.304 -3.081 -19.845 1.00 0.00 H ATOM 752 HD22 LEU A 48 9.023 -2.724 -19.664 1.00 0.00 H ATOM 753 HD23 LEU A 48 8.078 -1.901 -20.908 1.00 0.00 H ATOM 754 N THR A 49 8.143 2.462 -20.920 1.00 0.00 N ATOM 755 CA THR A 49 7.205 3.288 -21.704 1.00 0.00 C ATOM 756 C THR A 49 7.752 3.540 -23.133 1.00 0.00 C ATOM 757 O THR A 49 6.992 3.572 -24.114 1.00 0.00 O ATOM 758 CB THR A 49 6.948 4.634 -20.964 1.00 0.00 C ATOM 759 OG1 THR A 49 6.545 4.352 -19.611 1.00 0.00 O ATOM 760 CG2 THR A 49 5.877 5.499 -21.658 1.00 0.00 C ATOM 761 H THR A 49 8.646 2.894 -20.204 1.00 0.00 H ATOM 762 HA THR A 49 6.265 2.752 -21.777 1.00 0.00 H ATOM 763 HB THR A 49 7.881 5.195 -20.932 1.00 0.00 H ATOM 764 HG1 THR A 49 6.974 4.975 -19.008 1.00 0.00 H ATOM 765 HG21 THR A 49 4.939 4.961 -21.697 1.00 0.00 H ATOM 766 HG22 THR A 49 6.195 5.734 -22.667 1.00 0.00 H ATOM 767 HG23 THR A 49 5.740 6.423 -21.109 1.00 0.00 H ATOM 768 N GLU A 50 9.079 3.709 -23.226 1.00 0.00 N ATOM 769 CA GLU A 50 9.796 3.797 -24.516 1.00 0.00 C ATOM 770 C GLU A 50 9.609 2.510 -25.352 1.00 0.00 C ATOM 771 O GLU A 50 9.547 2.559 -26.583 1.00 0.00 O ATOM 772 CB GLU A 50 11.300 4.074 -24.272 1.00 0.00 C ATOM 773 CG GLU A 50 11.595 5.309 -23.396 1.00 0.00 C ATOM 774 CD GLU A 50 10.950 6.607 -23.914 1.00 0.00 C ATOM 775 OE1 GLU A 50 11.477 7.198 -24.880 1.00 0.00 O1- ATOM 776 OE2 GLU A 50 9.910 7.035 -23.368 1.00 0.00 O ATOM 777 H GLU A 50 9.581 3.823 -22.393 1.00 0.00 H ATOM 778 HA GLU A 50 9.374 4.632 -25.068 1.00 0.00 H ATOM 779 HB2 GLU A 50 11.739 3.209 -23.784 1.00 0.00 H ATOM 780 HB3 GLU A 50 11.790 4.215 -25.231 1.00 0.00 H ATOM 781 HG2 GLU A 50 11.234 5.111 -22.392 1.00 0.00 H ATOM 782 HG3 GLU A 50 12.668 5.446 -23.348 1.00 0.00 H ATOM 783 N HIS A 51 9.539 1.366 -24.659 1.00 0.00 N ATOM 784 CA HIS A 51 9.245 0.061 -25.282 1.00 0.00 C ATOM 785 C HIS A 51 7.770 -0.042 -25.731 1.00 0.00 C ATOM 786 O HIS A 51 7.462 -0.689 -26.743 1.00 0.00 O ATOM 787 CB HIS A 51 9.605 -1.083 -24.300 1.00 0.00 C ATOM 788 CG HIS A 51 9.108 -2.443 -24.717 1.00 0.00 C ATOM 789 ND1 HIS A 51 9.635 -3.169 -25.754 1.00 0.00 N ATOM 790 CD2 HIS A 51 8.035 -3.142 -24.278 1.00 0.00 C ATOM 791 CE1 HIS A 51 8.866 -4.252 -25.923 1.00 0.00 C ATOM 792 NE2 HIS A 51 7.867 -4.281 -25.046 1.00 0.00 N ATOM 793 H HIS A 51 9.711 1.397 -23.691 1.00 0.00 H ATOM 794 HA HIS A 51 9.873 -0.028 -26.160 1.00 0.00 H ATOM 795 HB2 HIS A 51 10.679 -1.147 -24.208 1.00 0.00 H ATOM 796 HB3 HIS A 51 9.185 -0.859 -23.322 1.00 0.00 H ATOM 797 HD1 HIS A 51 10.429 -2.934 -26.281 1.00 0.00 H ATOM 798 HD2 HIS A 51 7.392 -2.858 -23.455 1.00 0.00 H ATOM 799 HE1 HIS A 51 9.035 -5.002 -26.681 1.00 0.00 H ATOM 800 N LYS A 52 6.878 0.592 -24.958 1.00 0.00 N ATOM 801 CA LYS A 52 5.422 0.498 -25.156 1.00 0.00 C ATOM 802 C LYS A 52 5.003 1.019 -26.546 1.00 0.00 C ATOM 803 O LYS A 52 4.125 0.445 -27.187 1.00 0.00 O ATOM 804 CB LYS A 52 4.696 1.282 -24.034 1.00 0.00 C ATOM 805 CG LYS A 52 3.160 1.098 -23.981 1.00 0.00 C ATOM 806 CD LYS A 52 2.491 1.973 -22.891 1.00 0.00 C ATOM 807 CE LYS A 52 3.022 1.695 -21.469 1.00 0.00 C ATOM 808 NZ LYS A 52 2.361 2.553 -20.451 1.00 0.00 N1+ ATOM 809 H LYS A 52 7.213 1.143 -24.220 1.00 0.00 H ATOM 810 HA LYS A 52 5.153 -0.550 -25.077 1.00 0.00 H ATOM 811 HB2 LYS A 52 5.104 0.964 -23.079 1.00 0.00 H ATOM 812 HB3 LYS A 52 4.908 2.340 -24.155 1.00 0.00 H ATOM 813 HG2 LYS A 52 2.741 1.366 -24.947 1.00 0.00 H ATOM 814 HG3 LYS A 52 2.938 0.053 -23.780 1.00 0.00 H ATOM 815 HD2 LYS A 52 2.661 3.020 -23.125 1.00 0.00 H ATOM 816 HD3 LYS A 52 1.421 1.784 -22.907 1.00 0.00 H ATOM 817 HE2 LYS A 52 2.831 0.660 -21.221 1.00 0.00 H ATOM 818 HE3 LYS A 52 4.087 1.880 -21.441 1.00 0.00 H ATOM 819 HZ1 LYS A 52 1.334 2.386 -20.457 1.00 0.00 H ATOM 820 HZ2 LYS A 52 2.534 3.559 -20.648 1.00 0.00 H ATOM 821 HZ3 LYS A 52 2.725 2.333 -19.501 1.00 0.00 H ATOM 822 N VAL A 53 5.642 2.102 -27.003 1.00 0.00 N ATOM 823 CA VAL A 53 5.333 2.724 -28.299 1.00 0.00 C ATOM 824 C VAL A 53 5.971 1.962 -29.484 1.00 0.00 C ATOM 825 O VAL A 53 5.434 1.968 -30.591 1.00 0.00 O ATOM 826 CB VAL A 53 5.783 4.231 -28.301 1.00 0.00 C ATOM 827 CG1 VAL A 53 5.069 5.030 -27.175 1.00 0.00 C ATOM 828 CG2 VAL A 53 7.323 4.378 -28.183 1.00 0.00 C ATOM 829 H VAL A 53 6.352 2.500 -26.462 1.00 0.00 H ATOM 830 HA VAL A 53 4.250 2.701 -28.429 1.00 0.00 H ATOM 831 HB VAL A 53 5.478 4.660 -29.250 1.00 0.00 H ATOM 832 HG11 VAL A 53 5.330 4.617 -26.207 1.00 0.00 H ATOM 833 HG12 VAL A 53 3.999 4.971 -27.310 1.00 0.00 H ATOM 834 HG13 VAL A 53 5.373 6.071 -27.212 1.00 0.00 H ATOM 835 HG21 VAL A 53 7.803 3.878 -29.010 1.00 0.00 H ATOM 836 HG22 VAL A 53 7.665 3.936 -27.252 1.00 0.00 H ATOM 837 HG23 VAL A 53 7.594 5.430 -28.194 1.00 0.00 H ATOM 838 N THR A 54 7.125 1.309 -29.241 1.00 0.00 N ATOM 839 CA THR A 54 7.908 0.621 -30.296 1.00 0.00 C ATOM 840 C THR A 54 7.382 -0.801 -30.664 1.00 0.00 C ATOM 841 O THR A 54 8.138 -1.617 -31.205 1.00 0.00 O ATOM 842 CB THR A 54 9.422 0.574 -29.888 1.00 0.00 C ATOM 843 OG1 THR A 54 9.540 0.066 -28.561 1.00 0.00 O ATOM 844 CG2 THR A 54 10.087 1.957 -29.970 1.00 0.00 C ATOM 845 H THR A 54 7.500 1.352 -28.334 1.00 0.00 H ATOM 846 HA THR A 54 7.834 1.227 -31.189 1.00 0.00 H ATOM 847 HB THR A 54 9.949 -0.099 -30.560 1.00 0.00 H ATOM 848 HG1 THR A 54 9.180 -0.830 -28.531 1.00 0.00 H ATOM 849 HG21 THR A 54 9.578 2.646 -29.309 1.00 0.00 H ATOM 850 HG22 THR A 54 10.031 2.329 -30.985 1.00 0.00 H ATOM 851 HG23 THR A 54 11.127 1.879 -29.678 1.00 0.00 H ATOM 852 N HIS A 55 6.094 -1.096 -30.380 1.00 0.00 N ATOM 853 CA HIS A 55 5.412 -2.279 -30.949 1.00 0.00 C ATOM 854 C HIS A 55 5.066 -2.020 -32.441 1.00 0.00 C ATOM 855 O HIS A 55 5.631 -2.697 -33.328 1.00 0.00 O ATOM 856 CB HIS A 55 4.135 -2.621 -30.152 1.00 0.00 C ATOM 857 CG HIS A 55 4.388 -3.008 -28.719 1.00 0.00 C ATOM 858 ND1 HIS A 55 3.924 -2.287 -27.651 1.00 0.00 N ATOM 859 CD2 HIS A 55 5.038 -4.083 -28.187 1.00 0.00 C ATOM 860 CE1 HIS A 55 4.287 -2.913 -26.539 1.00 0.00 C ATOM 861 NE2 HIS A 55 4.962 -4.009 -26.801 1.00 0.00 N ATOM 862 OXT HIS A 55 4.246 -1.120 -32.721 1.00 0.00 O ATOM 863 H HIS A 55 5.610 -0.535 -29.749 1.00 0.00 H ATOM 864 HA HIS A 55 6.101 -3.125 -30.882 1.00 0.00 H ATOM 865 HB2 HIS A 55 3.477 -1.760 -30.152 1.00 0.00 H ATOM 866 HB3 HIS A 55 3.628 -3.443 -30.632 1.00 0.00 H ATOM 867 HD1 HIS A 55 3.408 -1.450 -27.704 1.00 0.00 H ATOM 868 HD2 HIS A 55 5.556 -4.856 -28.738 1.00 0.00 H ATOM 869 HE1 HIS A 55 4.063 -2.563 -25.542 1.00 0.00 H