USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -111:sc= 0.243 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -1.38 K(o=-1.1,f=-3.2) USER MOD Set 2.1: A 34 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 103 ASN : amide:sc= -3.52 K(o=-3.5,f=-6.5!) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.39! C(o=-7.7!,f=-2.4!) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00194) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0346) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 22 THR OG1 : rot 47:sc= 0.336 USER MOD Single : A 25 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-7.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 35 MET CE :methyl 149:sc= -1.54 (180deg=-4.16!) USER MOD Single : A 37 THR OG1 : rot 110:sc= 0.076 USER MOD Single : A 48 SER OG : rot 140:sc= 0.322 USER MOD Single : A 56 CYS SG : rot 29:sc= 0.222 USER MOD Single : A 57 LYS NZ :NH3+ -143:sc= -0.126 (180deg=-1.78!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0481 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -130:sc= 0.959 (180deg=-0.0962) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-13!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -100:sc= -2.78 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 108:sc= 0.0944 USER MOD Single : A 111 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.67) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc= -0.0378 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.101 -8.530 11.574 1.00 0.00 N ATOM 180 CA ASN A 10 0.091 -7.210 11.010 1.00 0.00 C ATOM 181 C ASN A 10 1.540 -6.745 11.078 1.00 0.00 C ATOM 182 O ASN A 10 2.352 -7.069 10.213 1.00 0.00 O ATOM 183 CB ASN A 10 -0.808 -6.206 11.733 1.00 0.00 C ATOM 184 CG ASN A 10 -0.933 -6.462 13.220 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.096 -5.389 13.981 1.00 0.00 O flip ATOM 186 ND2 ASN A 10 -0.888 -7.600 13.683 1.00 0.00 N flip ATOM 0 HA ASN A 10 -0.177 -7.268 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.414 -5.202 11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.801 -6.232 11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.761 -8.399 13.062 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.978 -7.745 14.689 1.00 0.00 H new ATOM 193 N ASP A 11 1.842 -5.981 12.117 1.00 0.00 N ATOM 194 CA ASP A 11 3.166 -5.424 12.320 1.00 0.00 C ATOM 195 C ASP A 11 4.258 -6.471 12.164 1.00 0.00 C ATOM 196 O ASP A 11 4.547 -7.229 13.090 1.00 0.00 O ATOM 197 CB ASP A 11 3.255 -4.780 13.701 1.00 0.00 C ATOM 198 CG ASP A 11 2.123 -3.806 13.963 1.00 0.00 C ATOM 199 OD1 ASP A 11 2.180 -2.674 13.439 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.181 -4.175 14.694 1.00 0.00 O ATOM 0 H ASP A 11 1.172 -5.731 12.844 1.00 0.00 H new ATOM 0 HA ASP A 11 3.324 -4.668 11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.243 -5.559 14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.207 -4.258 13.794 1.00 0.00 H new ATOM 205 N LYS A 12 4.849 -6.511 10.979 1.00 0.00 N ATOM 206 CA LYS A 12 5.929 -7.438 10.692 1.00 0.00 C ATOM 207 C LYS A 12 7.268 -6.709 10.775 1.00 0.00 C ATOM 208 O LYS A 12 7.733 -6.120 9.799 1.00 0.00 O ATOM 209 CB LYS A 12 5.745 -8.070 9.312 1.00 0.00 C ATOM 210 CG LYS A 12 6.984 -8.792 8.816 1.00 0.00 C ATOM 211 CD LYS A 12 6.757 -9.448 7.466 1.00 0.00 C ATOM 212 CE LYS A 12 8.065 -9.927 6.860 1.00 0.00 C ATOM 213 NZ LYS A 12 8.672 -11.033 7.651 1.00 0.00 N ATOM 0 H LYS A 12 4.595 -5.907 10.197 1.00 0.00 H new ATOM 0 HA LYS A 12 5.914 -8.238 11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.913 -8.773 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.474 -7.293 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.810 -8.085 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.278 -9.550 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.075 -10.291 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.278 -8.739 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.889 -10.265 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.766 -9.094 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.554 -11.343 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.879 -10.698 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.008 -11.832 7.698 1.00 0.00 H new ATOM 227 N TRP A 13 7.866 -6.743 11.957 1.00 0.00 N ATOM 228 CA TRP A 13 9.136 -6.086 12.206 1.00 0.00 C ATOM 229 C TRP A 13 10.291 -6.943 11.701 1.00 0.00 C ATOM 230 O TRP A 13 10.648 -7.944 12.322 1.00 0.00 O ATOM 231 CB TRP A 13 9.263 -5.812 13.708 1.00 0.00 C ATOM 232 CG TRP A 13 7.956 -5.411 14.337 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.916 -6.238 14.662 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.540 -4.087 14.706 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.876 -5.511 15.186 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.233 -4.190 15.229 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.138 -2.826 14.644 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.517 -3.080 15.680 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.429 -1.727 15.096 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.131 -1.861 15.605 1.00 0.00 C ATOM 0 H TRP A 13 7.483 -7.227 12.769 1.00 0.00 H new ATOM 0 HA TRP A 13 9.175 -5.140 11.666 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.642 -6.705 14.205 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.996 -5.022 13.868 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.913 -7.309 14.526 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.982 -5.893 15.494 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.137 -2.711 14.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.516 -3.180 16.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.885 -0.749 15.056 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.604 -0.982 15.946 1.00 0.00 H new ATOM 251 N VAL A 14 10.874 -6.549 10.565 1.00 0.00 N ATOM 252 CA VAL A 14 11.978 -7.315 9.985 1.00 0.00 C ATOM 253 C VAL A 14 12.918 -6.428 9.185 1.00 0.00 C ATOM 254 O VAL A 14 12.721 -5.221 9.092 1.00 0.00 O ATOM 255 CB VAL A 14 11.444 -8.451 9.082 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.019 -7.913 7.723 1.00 0.00 C ATOM 257 CG2 VAL A 14 12.464 -9.571 8.932 1.00 0.00 C ATOM 0 H VAL A 14 10.605 -5.719 10.037 1.00 0.00 H new ATOM 0 HA VAL A 14 12.537 -7.748 10.815 1.00 0.00 H new ATOM 0 HB VAL A 14 10.564 -8.872 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.647 -8.732 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.231 -7.172 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.874 -7.449 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.055 -10.352 8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.376 -9.175 8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.692 -9.989 9.912 1.00 0.00 H new ATOM 267 N ASP A 15 13.944 -7.050 8.625 1.00 0.00 N ATOM 268 CA ASP A 15 14.943 -6.355 7.822 1.00 0.00 C ATOM 269 C ASP A 15 14.653 -6.531 6.333 1.00 0.00 C ATOM 270 O ASP A 15 13.674 -7.179 5.962 1.00 0.00 O ATOM 271 CB ASP A 15 16.327 -6.905 8.159 1.00 0.00 C ATOM 272 CG ASP A 15 16.949 -6.222 9.360 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.548 -6.542 10.499 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.840 -5.370 9.163 1.00 0.00 O ATOM 0 H ASP A 15 14.109 -8.053 8.714 1.00 0.00 H new ATOM 0 HA ASP A 15 14.908 -5.290 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.251 -7.975 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.982 -6.783 7.297 1.00 0.00 H new ATOM 279 N THR A 16 15.504 -5.958 5.480 1.00 0.00 N ATOM 280 CA THR A 16 15.307 -6.067 4.034 1.00 0.00 C ATOM 281 C THR A 16 16.465 -5.454 3.248 1.00 0.00 C ATOM 282 O THR A 16 17.480 -5.053 3.818 1.00 0.00 O ATOM 283 CB THR A 16 13.998 -5.376 3.604 1.00 0.00 C ATOM 284 OG1 THR A 16 13.550 -5.909 2.352 1.00 0.00 O ATOM 285 CG2 THR A 16 14.187 -3.871 3.475 1.00 0.00 C ATOM 0 H THR A 16 16.325 -5.421 5.760 1.00 0.00 H new ATOM 0 HA THR A 16 15.257 -7.132 3.809 1.00 0.00 H new ATOM 0 HB THR A 16 13.250 -5.567 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.717 -5.466 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.247 -3.411 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.498 -3.460 4.435 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.952 -3.663 2.727 1.00 0.00 H new ATOM 293 N HIS A 17 16.293 -5.394 1.928 1.00 0.00 N ATOM 294 CA HIS A 17 17.297 -4.824 1.037 1.00 0.00 C ATOM 295 C HIS A 17 16.749 -3.573 0.357 1.00 0.00 C ATOM 296 O HIS A 17 15.679 -3.086 0.715 1.00 0.00 O ATOM 297 CB HIS A 17 17.721 -5.853 -0.011 1.00 0.00 C ATOM 298 CG HIS A 17 18.792 -6.785 0.466 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.537 -8.068 0.903 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.132 -6.615 0.569 1.00 0.00 C ATOM 301 CE1 HIS A 17 19.670 -8.646 1.255 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.653 -7.785 1.062 1.00 0.00 N ATOM 0 H HIS A 17 15.459 -5.737 1.451 1.00 0.00 H new ATOM 0 HA HIS A 17 18.171 -4.547 1.627 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.850 -6.436 -0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.075 -5.330 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.687 -5.725 0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 17 19.775 -9.651 1.636 1.00 0.00 H new ATOM 0 HE2 HIS A 17 21.640 -7.961 1.249 1.00 0.00 H new ATOM 311 N VAL A 18 17.474 -3.058 -0.629 1.00 0.00 N ATOM 312 CA VAL A 18 17.048 -1.851 -1.334 1.00 0.00 C ATOM 313 C VAL A 18 16.218 -2.174 -2.573 1.00 0.00 C ATOM 314 O VAL A 18 16.585 -3.025 -3.383 1.00 0.00 O ATOM 315 CB VAL A 18 18.254 -0.985 -1.747 1.00 0.00 C ATOM 316 CG1 VAL A 18 17.788 0.293 -2.432 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.120 -0.663 -0.538 1.00 0.00 C ATOM 0 H VAL A 18 18.355 -3.453 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 18 16.426 -1.293 -0.633 1.00 0.00 H new ATOM 0 HB VAL A 18 18.856 -1.552 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.654 0.890 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.214 0.040 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.161 0.865 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 18 19.966 -0.051 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.529 -0.118 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.486 -1.589 -0.095 1.00 0.00 H new ATOM 327 N GLY A 19 15.091 -1.479 -2.703 1.00 0.00 N ATOM 328 CA GLY A 19 14.204 -1.670 -3.838 1.00 0.00 C ATOM 329 C GLY A 19 13.633 -3.067 -3.925 1.00 0.00 C ATOM 330 O GLY A 19 13.059 -3.438 -4.948 1.00 0.00 O ATOM 0 H GLY A 19 14.773 -0.778 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.385 -0.954 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.749 -1.450 -4.756 1.00 0.00 H new ATOM 334 N LYS A 20 13.796 -3.851 -2.864 1.00 0.00 N ATOM 335 CA LYS A 20 13.267 -5.205 -2.843 1.00 0.00 C ATOM 336 C LYS A 20 11.745 -5.160 -2.901 1.00 0.00 C ATOM 337 O LYS A 20 11.071 -5.226 -1.873 1.00 0.00 O ATOM 338 CB LYS A 20 13.731 -5.944 -1.588 1.00 0.00 C ATOM 339 CG LYS A 20 14.162 -7.372 -1.852 1.00 0.00 C ATOM 340 CD LYS A 20 15.569 -7.401 -2.401 1.00 0.00 C ATOM 341 CE LYS A 20 16.200 -8.779 -2.265 1.00 0.00 C ATOM 342 NZ LYS A 20 15.418 -9.822 -2.982 1.00 0.00 N ATOM 0 H LYS A 20 14.287 -3.572 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 20 13.642 -5.745 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.562 -5.399 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.922 -5.946 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.112 -7.951 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.478 -7.841 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.556 -7.109 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.180 -6.668 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.216 -8.753 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.273 -9.042 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.949 -10.716 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.504 -9.960 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.254 -9.519 -3.963 1.00 0.00 H new ATOM 356 N THR A 21 11.220 -5.027 -4.114 1.00 0.00 N ATOM 357 CA THR A 21 9.781 -4.945 -4.330 1.00 0.00 C ATOM 358 C THR A 21 9.037 -6.026 -3.559 1.00 0.00 C ATOM 359 O THR A 21 8.971 -7.178 -3.988 1.00 0.00 O ATOM 360 CB THR A 21 9.430 -5.063 -5.824 1.00 0.00 C ATOM 361 OG1 THR A 21 10.321 -4.257 -6.604 1.00 0.00 O ATOM 362 CG2 THR A 21 7.995 -4.622 -6.073 1.00 0.00 C ATOM 0 H THR A 21 11.775 -4.973 -4.968 1.00 0.00 H new ATOM 0 HA THR A 21 9.467 -3.967 -3.964 1.00 0.00 H new ATOM 0 HB THR A 21 9.534 -6.107 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.091 -4.340 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.766 -4.713 -7.135 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.316 -5.253 -5.500 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.874 -3.584 -5.763 1.00 0.00 H new ATOM 370 N THR A 22 8.482 -5.644 -2.415 1.00 0.00 N ATOM 371 CA THR A 22 7.735 -6.572 -1.582 1.00 0.00 C ATOM 372 C THR A 22 6.250 -6.505 -1.905 1.00 0.00 C ATOM 373 O THR A 22 5.529 -5.635 -1.413 1.00 0.00 O ATOM 374 CB THR A 22 7.960 -6.290 -0.081 1.00 0.00 C ATOM 375 OG1 THR A 22 9.326 -6.547 0.264 1.00 0.00 O ATOM 376 CG2 THR A 22 7.045 -7.143 0.788 1.00 0.00 C ATOM 0 H THR A 22 8.537 -4.695 -2.044 1.00 0.00 H new ATOM 0 HA THR A 22 8.102 -7.575 -1.799 1.00 0.00 H new ATOM 0 HB THR A 22 7.724 -5.242 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.915 -6.124 -0.395 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.229 -6.920 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.005 -6.923 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.245 -8.198 0.601 1.00 0.00 H new ATOM 384 N GLU A 23 5.813 -7.422 -2.758 1.00 0.00 N ATOM 385 CA GLU A 23 4.428 -7.502 -3.166 1.00 0.00 C ATOM 386 C GLU A 23 3.571 -8.070 -2.049 1.00 0.00 C ATOM 387 O GLU A 23 3.914 -9.086 -1.444 1.00 0.00 O ATOM 388 CB GLU A 23 4.324 -8.376 -4.408 1.00 0.00 C ATOM 389 CG GLU A 23 2.928 -8.435 -4.988 1.00 0.00 C ATOM 390 CD GLU A 23 2.903 -9.021 -6.386 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.089 -10.249 -6.518 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.701 -8.252 -7.349 1.00 0.00 O ATOM 0 H GLU A 23 6.413 -8.129 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 23 4.063 -6.500 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.009 -7.998 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.649 -9.386 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.292 -9.033 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.505 -7.431 -5.011 1.00 0.00 H new ATOM 399 N ILE A 24 2.455 -7.409 -1.778 1.00 0.00 N ATOM 400 CA ILE A 24 1.561 -7.843 -0.721 1.00 0.00 C ATOM 401 C ILE A 24 0.110 -7.882 -1.174 1.00 0.00 C ATOM 402 O ILE A 24 -0.548 -6.846 -1.269 1.00 0.00 O ATOM 403 CB ILE A 24 1.663 -6.913 0.493 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.127 -6.710 0.886 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.858 -7.472 1.657 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.323 -5.731 2.023 1.00 0.00 C ATOM 0 H ILE A 24 2.150 -6.572 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 24 1.872 -8.852 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 24 1.245 -5.942 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.554 -7.672 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.682 -6.358 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.940 -6.801 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.188 -7.562 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.245 -8.454 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.386 -5.639 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.927 -4.757 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.797 -6.091 2.908 1.00 0.00 H new ATOM 418 N HIS A 25 -0.379 -9.080 -1.462 1.00 0.00 N ATOM 419 CA HIS A 25 -1.763 -9.259 -1.864 1.00 0.00 C ATOM 420 C HIS A 25 -2.636 -9.390 -0.625 1.00 0.00 C ATOM 421 O HIS A 25 -2.713 -10.458 -0.017 1.00 0.00 O ATOM 422 CB HIS A 25 -1.920 -10.504 -2.732 1.00 0.00 C ATOM 423 CG HIS A 25 -0.831 -10.683 -3.742 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.091 -11.840 -3.852 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.371 -9.849 -4.703 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.779 -11.709 -4.838 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.629 -10.512 -5.371 1.00 0.00 N ATOM 0 H HIS A 25 0.165 -9.942 -1.424 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.071 -8.391 -2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.951 -11.382 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.878 -10.455 -3.250 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.198 -12.667 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.724 -8.849 -4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.492 -12.456 -5.154 1.00 0.00 H new ATOM 436 N LEU A 26 -3.285 -8.300 -0.252 1.00 0.00 N ATOM 437 CA LEU A 26 -4.137 -8.290 0.927 1.00 0.00 C ATOM 438 C LEU A 26 -5.580 -8.570 0.550 1.00 0.00 C ATOM 439 O LEU A 26 -6.034 -8.197 -0.528 1.00 0.00 O ATOM 440 CB LEU A 26 -4.047 -6.941 1.635 1.00 0.00 C ATOM 441 CG LEU A 26 -2.639 -6.521 2.068 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.615 -5.045 2.436 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.164 -7.369 3.239 1.00 0.00 C ATOM 0 H LEU A 26 -3.239 -7.410 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.790 -9.074 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.449 -6.174 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.687 -6.969 2.517 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.960 -6.680 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.608 -4.763 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.913 -4.450 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.308 -4.864 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.162 -7.056 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.845 -7.241 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.144 -8.418 2.944 1.00 0.00 H new ATOM 455 N LYS A 27 -6.298 -9.223 1.447 1.00 0.00 N ATOM 456 CA LYS A 27 -7.694 -9.548 1.205 1.00 0.00 C ATOM 457 C LYS A 27 -8.596 -8.552 1.916 1.00 0.00 C ATOM 458 O LYS A 27 -8.150 -7.814 2.796 1.00 0.00 O ATOM 459 CB LYS A 27 -8.005 -10.968 1.671 1.00 0.00 C ATOM 460 CG LYS A 27 -6.953 -11.983 1.250 1.00 0.00 C ATOM 461 CD LYS A 27 -7.390 -13.405 1.568 1.00 0.00 C ATOM 462 CE LYS A 27 -6.340 -14.418 1.145 1.00 0.00 C ATOM 463 NZ LYS A 27 -6.759 -15.814 1.449 1.00 0.00 N ATOM 0 H LYS A 27 -5.939 -9.538 2.348 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.880 -9.489 0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.093 -10.975 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.973 -11.271 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.764 -11.890 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.014 -11.768 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.577 -13.499 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.330 -13.620 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.152 -14.320 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.401 -14.202 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.015 -16.474 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.914 -15.915 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.641 -16.030 0.942 1.00 0.00 H new ATOM 477 N GLY A 28 -9.864 -8.536 1.535 1.00 0.00 N ATOM 478 CA GLY A 28 -10.802 -7.617 2.142 1.00 0.00 C ATOM 479 C GLY A 28 -12.120 -7.556 1.397 1.00 0.00 C ATOM 480 O GLY A 28 -12.684 -8.589 1.032 1.00 0.00 O ATOM 0 H GLY A 28 -10.260 -9.143 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.985 -7.918 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.360 -6.621 2.175 1.00 0.00 H new ATOM 484 N ASN A 29 -12.607 -6.341 1.170 1.00 0.00 N ATOM 485 CA ASN A 29 -13.865 -6.136 0.463 1.00 0.00 C ATOM 486 C ASN A 29 -14.102 -4.648 0.213 1.00 0.00 C ATOM 487 O ASN A 29 -14.709 -3.967 1.036 1.00 0.00 O ATOM 488 CB ASN A 29 -15.031 -6.722 1.265 1.00 0.00 C ATOM 489 CG ASN A 29 -16.354 -6.602 0.533 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.400 -6.623 -0.697 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.438 -6.476 1.289 1.00 0.00 N ATOM 0 H ASN A 29 -12.147 -5.480 1.467 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.804 -6.648 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.831 -7.772 1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.102 -6.210 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.357 -6.392 0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.352 -6.464 2.305 1.00 0.00 H new ATOM 547 N TYR A 34 -14.298 -0.173 4.572 1.00 0.00 N ATOM 548 CA TYR A 34 -12.903 0.136 4.867 1.00 0.00 C ATOM 549 C TYR A 34 -12.011 -0.082 3.645 1.00 0.00 C ATOM 550 O TYR A 34 -12.483 -0.461 2.573 1.00 0.00 O ATOM 551 CB TYR A 34 -12.397 -0.710 6.038 1.00 0.00 C ATOM 552 CG TYR A 34 -13.007 -0.342 7.373 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.305 -0.723 7.692 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.285 0.383 8.320 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.867 -0.394 8.911 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.842 0.714 9.540 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.132 0.324 9.830 1.00 0.00 C ATOM 558 OH TYR A 34 -14.690 0.651 11.045 1.00 0.00 O ATOM 0 HA TYR A 34 -12.854 1.190 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.606 -1.760 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.314 -0.608 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.884 -1.286 6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.274 0.691 8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.877 -0.698 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.269 1.276 10.263 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.340 -0.036 11.302 1.00 0.00 H new ATOM 568 N MET A 35 -10.718 0.163 3.828 1.00 0.00 N ATOM 569 CA MET A 35 -9.736 0.019 2.782 1.00 0.00 C ATOM 570 C MET A 35 -8.407 -0.414 3.379 1.00 0.00 C ATOM 571 O MET A 35 -8.120 -0.133 4.540 1.00 0.00 O ATOM 572 CB MET A 35 -9.544 1.355 2.067 1.00 0.00 C ATOM 573 CG MET A 35 -8.169 1.505 1.449 1.00 0.00 C ATOM 574 SD MET A 35 -7.871 3.149 0.771 1.00 0.00 S ATOM 575 CE MET A 35 -9.079 3.205 -0.549 1.00 0.00 C ATOM 0 H MET A 35 -10.328 0.470 4.719 1.00 0.00 H new ATOM 0 HA MET A 35 -10.084 -0.733 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.299 1.455 1.287 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.708 2.167 2.776 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.413 1.288 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.051 0.765 0.657 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.415 4.232 -0.692 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.627 2.840 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.931 2.577 -0.289 1.00 0.00 H new ATOM 585 N TRP A 36 -7.596 -1.080 2.578 1.00 0.00 N ATOM 586 CA TRP A 36 -6.287 -1.518 3.025 1.00 0.00 C ATOM 587 C TRP A 36 -5.202 -0.721 2.313 1.00 0.00 C ATOM 588 O TRP A 36 -4.711 -1.123 1.259 1.00 0.00 O ATOM 589 CB TRP A 36 -6.101 -3.007 2.763 1.00 0.00 C ATOM 590 CG TRP A 36 -6.256 -3.851 3.989 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.157 -4.859 4.187 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.491 -3.755 5.190 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.997 -5.392 5.444 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.980 -4.730 6.077 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.438 -2.936 5.600 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.451 -4.907 7.351 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -3.914 -3.112 6.863 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.421 -4.091 7.725 1.00 0.00 C ATOM 0 H TRP A 36 -7.821 -1.329 1.615 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.210 -1.345 4.099 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.825 -3.330 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.110 -3.173 2.340 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.887 -5.188 3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.546 -6.155 5.840 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.041 -2.179 4.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.840 -5.661 8.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.099 -2.484 7.192 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.988 -4.204 8.708 1.00 0.00 H new ATOM 609 N THR A 37 -4.840 0.417 2.894 1.00 0.00 N ATOM 610 CA THR A 37 -3.822 1.282 2.306 1.00 0.00 C ATOM 611 C THR A 37 -2.818 1.728 3.370 1.00 0.00 C ATOM 612 O THR A 37 -2.758 1.135 4.445 1.00 0.00 O ATOM 613 CB THR A 37 -4.465 2.512 1.640 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.487 3.231 0.880 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.074 3.428 2.685 1.00 0.00 C ATOM 0 H THR A 37 -5.234 0.762 3.769 1.00 0.00 H new ATOM 0 HA THR A 37 -3.296 0.710 1.542 1.00 0.00 H new ATOM 0 HB THR A 37 -5.254 2.166 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.674 3.126 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.523 4.291 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.840 2.887 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.297 3.764 3.371 1.00 0.00 H new ATOM 623 N ARG A 38 -2.033 2.771 3.084 1.00 0.00 N ATOM 624 CA ARG A 38 -1.046 3.252 4.046 1.00 0.00 C ATOM 625 C ARG A 38 -1.644 4.320 4.961 1.00 0.00 C ATOM 626 O ARG A 38 -2.641 4.956 4.620 1.00 0.00 O ATOM 627 CB ARG A 38 0.198 3.788 3.329 1.00 0.00 C ATOM 628 CG ARG A 38 1.331 2.794 3.250 1.00 0.00 C ATOM 629 CD ARG A 38 2.412 3.258 2.290 1.00 0.00 C ATOM 630 NE ARG A 38 2.817 4.645 2.503 1.00 0.00 N ATOM 631 CZ ARG A 38 4.051 4.998 2.859 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.966 4.068 3.101 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.375 6.277 2.973 1.00 0.00 N ATOM 0 H ARG A 38 -2.063 3.290 2.206 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.746 2.407 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.078 4.091 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.547 4.682 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.760 2.651 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.946 1.827 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.284 2.612 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.053 3.145 1.267 1.00 0.00 H new ATOM 0 HE ARG A 38 2.121 5.379 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.725 3.081 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.910 4.340 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.678 6.998 2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.322 6.541 3.246 1.00 0.00 H new ATOM 647 N VAL A 39 -1.024 4.509 6.124 1.00 0.00 N ATOM 648 CA VAL A 39 -1.499 5.483 7.102 1.00 0.00 C ATOM 649 C VAL A 39 -1.123 6.908 6.706 1.00 0.00 C ATOM 650 O VAL A 39 0.027 7.185 6.369 1.00 0.00 O ATOM 651 CB VAL A 39 -0.925 5.193 8.505 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.574 6.095 9.544 1.00 0.00 C ATOM 653 CG2 VAL A 39 -1.105 3.728 8.872 1.00 0.00 C ATOM 0 H VAL A 39 -0.189 3.998 6.412 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.585 5.393 7.126 1.00 0.00 H new ATOM 0 HB VAL A 39 0.144 5.406 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.157 5.876 10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.381 7.138 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.649 5.918 9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.693 3.548 9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.166 3.480 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.585 3.104 8.145 1.00 0.00 H new ATOM 663 N GLY A 40 -2.100 7.810 6.766 1.00 0.00 N ATOM 664 CA GLY A 40 -1.854 9.197 6.415 1.00 0.00 C ATOM 665 C GLY A 40 -1.866 9.431 4.918 1.00 0.00 C ATOM 666 O GLY A 40 -1.507 10.510 4.447 1.00 0.00 O ATOM 0 H GLY A 40 -3.057 7.604 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.611 9.826 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.890 9.505 6.819 1.00 0.00 H new ATOM 670 N PHE A 41 -2.280 8.414 4.170 1.00 0.00 N ATOM 671 CA PHE A 41 -2.338 8.503 2.717 1.00 0.00 C ATOM 672 C PHE A 41 -3.657 7.955 2.202 1.00 0.00 C ATOM 673 O PHE A 41 -3.922 7.956 1.001 1.00 0.00 O ATOM 674 CB PHE A 41 -1.172 7.736 2.104 1.00 0.00 C ATOM 675 CG PHE A 41 0.152 8.176 2.651 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.710 9.385 2.267 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.827 7.388 3.562 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.921 9.798 2.786 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.040 7.793 4.084 1.00 0.00 C ATOM 680 CZ PHE A 41 2.588 9.000 3.696 1.00 0.00 C ATOM 0 H PHE A 41 -2.581 7.516 4.548 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.265 9.551 2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.303 6.670 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.179 7.873 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.192 10.010 1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.402 6.444 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.346 10.743 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.559 7.167 4.794 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.536 9.320 4.103 1.00 0.00 H new ATOM 690 N VAL A 42 -4.474 7.477 3.129 1.00 0.00 N ATOM 691 CA VAL A 42 -5.780 6.927 2.796 1.00 0.00 C ATOM 692 C VAL A 42 -6.582 7.898 1.937 1.00 0.00 C ATOM 693 O VAL A 42 -6.914 9.001 2.373 1.00 0.00 O ATOM 694 CB VAL A 42 -6.578 6.596 4.068 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.847 5.837 3.717 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.713 5.812 5.044 1.00 0.00 C ATOM 0 H VAL A 42 -4.253 7.459 4.125 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.610 6.010 2.231 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.872 7.527 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.400 5.611 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.466 6.447 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.587 4.908 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.290 5.584 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.387 4.883 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.841 6.406 5.316 1.00 0.00 H new ATOM 706 N GLY A 43 -6.891 7.479 0.713 1.00 0.00 N ATOM 707 CA GLY A 43 -7.647 8.323 -0.193 1.00 0.00 C ATOM 708 C GLY A 43 -6.756 9.033 -1.194 1.00 0.00 C ATOM 709 O GLY A 43 -7.168 9.302 -2.322 1.00 0.00 O ATOM 0 H GLY A 43 -6.631 6.569 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.378 7.716 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.205 9.062 0.382 1.00 0.00 H new ATOM 763 N LEU A 47 1.023 6.667 -1.779 1.00 0.00 N ATOM 764 CA LEU A 47 1.165 6.412 -0.355 1.00 0.00 C ATOM 765 C LEU A 47 2.578 6.746 0.103 1.00 0.00 C ATOM 766 O LEU A 47 2.775 7.499 1.055 1.00 0.00 O ATOM 767 CB LEU A 47 0.843 4.953 -0.046 1.00 0.00 C ATOM 768 CG LEU A 47 -0.424 4.404 -0.709 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.620 2.937 -0.350 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.642 5.220 -0.303 1.00 0.00 C ATOM 0 HA LEU A 47 0.463 7.048 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.689 4.339 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.745 4.841 1.034 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.306 4.483 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.525 2.563 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.238 2.360 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.714 2.836 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.530 4.812 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.765 5.177 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.505 6.256 -0.611 1.00 0.00 H new ATOM 782 N SER A 48 3.556 6.175 -0.587 1.00 0.00 N ATOM 783 CA SER A 48 4.958 6.407 -0.278 1.00 0.00 C ATOM 784 C SER A 48 5.335 7.875 -0.451 1.00 0.00 C ATOM 785 O SER A 48 4.471 8.734 -0.632 1.00 0.00 O ATOM 786 CB SER A 48 5.829 5.547 -1.187 1.00 0.00 C ATOM 787 OG SER A 48 5.532 5.783 -2.552 1.00 0.00 O ATOM 0 H SER A 48 3.400 5.542 -1.372 1.00 0.00 H new ATOM 0 HA SER A 48 5.123 6.137 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.881 5.763 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.673 4.494 -0.955 1.00 0.00 H new ATOM 0 HG SER A 48 6.364 5.796 -3.070 1.00 0.00 H new ATOM 793 N ASP A 49 6.636 8.153 -0.399 1.00 0.00 N ATOM 794 CA ASP A 49 7.138 9.513 -0.551 1.00 0.00 C ATOM 795 C ASP A 49 8.545 9.516 -1.135 1.00 0.00 C ATOM 796 O ASP A 49 8.731 9.695 -2.338 1.00 0.00 O ATOM 797 CB ASP A 49 7.138 10.240 0.795 1.00 0.00 C ATOM 798 CG ASP A 49 5.741 10.599 1.261 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.266 11.703 0.921 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.122 9.776 1.968 1.00 0.00 O ATOM 0 H ASP A 49 7.362 7.451 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 49 6.474 10.036 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.617 9.610 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.735 11.148 0.714 1.00 0.00 H new ATOM 805 N GLU A 50 9.534 9.319 -0.269 1.00 0.00 N ATOM 806 CA GLU A 50 10.928 9.311 -0.685 1.00 0.00 C ATOM 807 C GLU A 50 11.695 8.159 -0.039 1.00 0.00 C ATOM 808 O GLU A 50 12.646 7.633 -0.616 1.00 0.00 O ATOM 809 CB GLU A 50 11.566 10.643 -0.305 1.00 0.00 C ATOM 810 CG GLU A 50 11.657 10.863 1.196 1.00 0.00 C ATOM 811 CD GLU A 50 12.308 12.185 1.553 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.548 12.216 1.699 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.578 13.190 1.686 1.00 0.00 O ATOM 0 H GLU A 50 9.393 9.162 0.729 1.00 0.00 H new ATOM 0 HA GLU A 50 10.970 9.170 -1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.567 10.693 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.988 11.454 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.656 10.827 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.226 10.049 1.645 1.00 0.00 H new ATOM 820 N ILE A 51 11.272 7.775 1.161 1.00 0.00 N ATOM 821 CA ILE A 51 11.918 6.696 1.897 1.00 0.00 C ATOM 822 C ILE A 51 11.577 5.339 1.308 1.00 0.00 C ATOM 823 O ILE A 51 12.327 4.792 0.503 1.00 0.00 O ATOM 824 CB ILE A 51 11.495 6.719 3.375 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.646 8.128 3.938 1.00 0.00 C ATOM 826 CG2 ILE A 51 12.308 5.722 4.186 1.00 0.00 C ATOM 827 CD1 ILE A 51 13.084 8.593 4.035 1.00 0.00 C ATOM 0 H ILE A 51 10.481 8.198 1.646 1.00 0.00 H new ATOM 0 HA ILE A 51 12.994 6.854 1.819 1.00 0.00 H new ATOM 0 HB ILE A 51 10.447 6.427 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.090 8.823 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.194 8.164 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.991 5.756 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.151 4.718 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.366 5.976 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.113 9.603 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.640 7.921 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.535 8.590 3.043 1.00 0.00 H new ATOM 839 N LEU A 52 10.450 4.788 1.731 1.00 0.00 N ATOM 840 CA LEU A 52 10.008 3.496 1.237 1.00 0.00 C ATOM 841 C LEU A 52 8.997 3.648 0.109 1.00 0.00 C ATOM 842 O LEU A 52 7.859 4.053 0.341 1.00 0.00 O ATOM 843 CB LEU A 52 9.385 2.681 2.367 1.00 0.00 C ATOM 844 CG LEU A 52 9.927 1.261 2.503 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.180 0.505 3.591 1.00 0.00 C ATOM 846 CD2 LEU A 52 9.834 0.523 1.176 1.00 0.00 C ATOM 0 H LEU A 52 9.826 5.216 2.415 1.00 0.00 H new ATOM 0 HA LEU A 52 10.884 2.976 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.545 3.208 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.308 2.631 2.209 1.00 0.00 H new ATOM 0 HG LEU A 52 10.977 1.321 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.581 -0.505 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.302 1.022 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.121 0.456 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.225 -0.488 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.792 0.474 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.418 1.053 0.423 1.00 0.00 H new ATOM 858 N GLU A 53 9.415 3.327 -1.114 1.00 0.00 N ATOM 859 CA GLU A 53 8.519 3.414 -2.259 1.00 0.00 C ATOM 860 C GLU A 53 7.351 2.464 -2.050 1.00 0.00 C ATOM 861 O GLU A 53 7.531 1.362 -1.535 1.00 0.00 O ATOM 862 CB GLU A 53 9.257 3.061 -3.554 1.00 0.00 C ATOM 863 CG GLU A 53 8.719 3.780 -4.778 1.00 0.00 C ATOM 864 CD GLU A 53 9.472 3.422 -6.045 1.00 0.00 C ATOM 865 OE1 GLU A 53 10.624 3.880 -6.200 1.00 0.00 O ATOM 866 OE2 GLU A 53 8.911 2.683 -6.881 1.00 0.00 O ATOM 0 H GLU A 53 10.359 3.008 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 53 8.152 4.437 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.314 3.302 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.192 1.985 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.665 3.534 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.778 4.856 -4.617 1.00 0.00 H new ATOM 873 N VAL A 54 6.155 2.885 -2.433 1.00 0.00 N ATOM 874 CA VAL A 54 4.979 2.046 -2.259 1.00 0.00 C ATOM 875 C VAL A 54 4.031 2.152 -3.443 1.00 0.00 C ATOM 876 O VAL A 54 3.140 3.002 -3.465 1.00 0.00 O ATOM 877 CB VAL A 54 4.213 2.405 -0.971 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.001 1.501 -0.799 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.128 2.312 0.240 1.00 0.00 C ATOM 0 H VAL A 54 5.974 3.793 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 54 5.343 1.021 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 54 3.863 3.434 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.473 1.770 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.333 1.622 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.327 0.463 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.568 2.569 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.511 1.295 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.961 3.005 0.121 1.00 0.00 H new ATOM 889 N VAL A 55 4.232 1.291 -4.433 1.00 0.00 N ATOM 890 CA VAL A 55 3.371 1.280 -5.601 1.00 0.00 C ATOM 891 C VAL A 55 2.028 0.674 -5.237 1.00 0.00 C ATOM 892 O VAL A 55 1.852 -0.545 -5.259 1.00 0.00 O ATOM 893 CB VAL A 55 3.982 0.483 -6.762 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.141 0.655 -8.018 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.421 0.907 -7.008 1.00 0.00 C ATOM 0 H VAL A 55 4.979 0.597 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 55 3.250 2.313 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 55 3.987 -0.574 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.585 0.085 -8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.130 0.294 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.105 1.710 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.834 0.329 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.450 1.968 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.012 0.728 -6.110 1.00 0.00 H new ATOM 905 N CYS A 56 1.089 1.536 -4.890 1.00 0.00 N ATOM 906 CA CYS A 56 -0.240 1.107 -4.494 1.00 0.00 C ATOM 907 C CYS A 56 -1.034 0.604 -5.692 1.00 0.00 C ATOM 908 O CYS A 56 -1.345 1.361 -6.611 1.00 0.00 O ATOM 909 CB CYS A 56 -0.977 2.258 -3.813 1.00 0.00 C ATOM 910 SG CYS A 56 -1.209 3.716 -4.857 1.00 0.00 S ATOM 0 H CYS A 56 1.225 2.547 -4.875 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.138 0.282 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.953 1.904 -3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.425 2.550 -2.920 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.286 3.350 -6.102 1.00 0.00 H new ATOM 916 N LYS A 57 -1.355 -0.683 -5.671 1.00 0.00 N ATOM 917 CA LYS A 57 -2.112 -1.300 -6.742 1.00 0.00 C ATOM 918 C LYS A 57 -3.392 -1.905 -6.193 1.00 0.00 C ATOM 919 O LYS A 57 -3.757 -3.037 -6.516 1.00 0.00 O ATOM 920 CB LYS A 57 -1.273 -2.368 -7.422 1.00 0.00 C ATOM 921 CG LYS A 57 -0.063 -1.818 -8.156 1.00 0.00 C ATOM 922 CD LYS A 57 0.747 -2.927 -8.805 1.00 0.00 C ATOM 923 CE LYS A 57 1.923 -2.374 -9.593 1.00 0.00 C ATOM 924 NZ LYS A 57 2.706 -3.453 -10.255 1.00 0.00 N ATOM 0 H LYS A 57 -1.099 -1.320 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.373 -0.539 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.937 -3.085 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.898 -2.914 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.389 -1.111 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.567 -1.266 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.112 -3.609 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.105 -3.507 -9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.559 -1.676 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.575 -1.811 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.718 -3.214 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.549 -4.352 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.399 -3.548 -11.244 1.00 0.00 H new ATOM 938 N TYR A 58 -4.051 -1.150 -5.331 1.00 0.00 N ATOM 939 CA TYR A 58 -5.307 -1.582 -4.741 1.00 0.00 C ATOM 940 C TYR A 58 -6.375 -1.673 -5.825 1.00 0.00 C ATOM 941 O TYR A 58 -6.866 -0.658 -6.318 1.00 0.00 O ATOM 942 CB TYR A 58 -5.733 -0.615 -3.616 1.00 0.00 C ATOM 943 CG TYR A 58 -7.145 -0.804 -3.070 1.00 0.00 C ATOM 944 CD1 TYR A 58 -7.991 -1.819 -3.524 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.636 0.063 -2.097 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.272 -1.961 -3.036 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.920 -0.080 -1.600 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.734 -1.088 -2.074 1.00 0.00 C ATOM 949 OH TYR A 58 -11.011 -1.224 -1.582 1.00 0.00 O ATOM 0 H TYR A 58 -3.735 -0.230 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.179 -2.569 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.029 -0.717 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.642 0.406 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.633 -2.508 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.006 0.858 -1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.910 -2.751 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.284 0.597 -0.842 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.179 -0.530 -0.911 1.00 0.00 H new ATOM 959 N THR A 59 -6.723 -2.903 -6.188 1.00 0.00 N ATOM 960 CA THR A 59 -7.740 -3.142 -7.199 1.00 0.00 C ATOM 961 C THR A 59 -9.062 -3.522 -6.541 1.00 0.00 C ATOM 962 O THR A 59 -9.152 -4.540 -5.855 1.00 0.00 O ATOM 963 CB THR A 59 -7.320 -4.266 -8.164 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.959 -4.079 -8.571 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.219 -4.284 -9.391 1.00 0.00 C ATOM 0 H THR A 59 -6.313 -3.750 -5.795 1.00 0.00 H new ATOM 0 HA THR A 59 -7.859 -2.219 -7.766 1.00 0.00 H new ATOM 0 HB THR A 59 -7.417 -5.219 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.699 -4.799 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.905 -5.085 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.251 -4.451 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.145 -3.328 -9.910 1.00 0.00 H new ATOM 973 N PRO A 60 -10.102 -2.699 -6.735 1.00 0.00 N ATOM 974 CA PRO A 60 -11.416 -2.930 -6.161 1.00 0.00 C ATOM 975 C PRO A 60 -12.353 -3.653 -7.125 1.00 0.00 C ATOM 976 O PRO A 60 -11.903 -4.301 -8.070 1.00 0.00 O ATOM 977 CB PRO A 60 -11.890 -1.504 -5.899 1.00 0.00 C ATOM 978 CG PRO A 60 -11.254 -0.677 -6.976 1.00 0.00 C ATOM 979 CD PRO A 60 -10.088 -1.460 -7.521 1.00 0.00 C ATOM 0 HA PRO A 60 -11.395 -3.570 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.977 -1.436 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.586 -1.163 -4.909 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.972 -0.459 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.919 0.280 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.203 -1.660 -8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.150 -0.919 -7.398 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.531 -6.977 -4.406 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.581 -6.964 -3.306 1.00 0.00 C ATOM 1137 C ILE A 73 -6.756 -5.687 -3.300 1.00 0.00 C ATOM 1138 O ILE A 73 -7.062 -4.726 -4.006 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.615 -8.160 -3.361 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.914 -8.237 -4.715 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.337 -9.457 -3.054 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.610 -8.999 -4.657 1.00 0.00 C ATOM 0 HA ILE A 73 -8.178 -7.026 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.854 -8.008 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.577 -8.715 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.724 -7.227 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.631 -10.286 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.771 -9.404 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.129 -9.614 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.157 -9.021 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.932 -8.508 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.799 -10.019 -4.322 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.704 -5.697 -2.493 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.812 -4.559 -2.372 1.00 0.00 C ATOM 1156 C TYR A 74 -3.376 -4.991 -2.651 1.00 0.00 C ATOM 1157 O TYR A 74 -2.735 -5.611 -1.802 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.923 -3.973 -0.964 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.318 -4.070 -0.376 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.774 -5.251 0.204 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.178 -2.982 -0.399 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.044 -5.340 0.740 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.449 -3.065 0.138 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.877 -4.245 0.705 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.142 -4.329 1.239 1.00 0.00 O ATOM 0 H TYR A 74 -5.448 -6.492 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.095 -3.798 -3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.224 -4.491 -0.307 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.620 -2.926 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.123 -6.112 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.849 -2.054 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.382 -6.265 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.105 -2.207 0.113 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.599 -3.469 1.134 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.871 -4.668 -3.841 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.513 -5.050 -4.209 1.00 0.00 C ATOM 1177 C VAL A 75 -0.534 -3.935 -3.870 1.00 0.00 C ATOM 1178 O VAL A 75 -0.405 -2.960 -4.605 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.407 -5.392 -5.709 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.039 -5.666 -6.099 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.290 -6.582 -6.048 1.00 0.00 C ATOM 0 H VAL A 75 -3.377 -4.148 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.260 -5.941 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.755 -4.532 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.090 -5.905 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.644 -4.782 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.419 -6.507 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.203 -6.809 -7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.974 -7.447 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.327 -6.344 -5.812 1.00 0.00 H new ATOM 1191 N VAL A 76 0.157 -4.089 -2.749 1.00 0.00 N ATOM 1192 CA VAL A 76 1.110 -3.082 -2.300 1.00 0.00 C ATOM 1193 C VAL A 76 2.555 -3.493 -2.577 1.00 0.00 C ATOM 1194 O VAL A 76 3.028 -4.513 -2.074 1.00 0.00 O ATOM 1195 CB VAL A 76 0.946 -2.804 -0.792 1.00 0.00 C ATOM 1196 CG1 VAL A 76 1.927 -1.738 -0.331 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.484 -2.391 -0.476 1.00 0.00 C ATOM 0 H VAL A 76 0.076 -4.899 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 76 0.894 -2.177 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 76 1.164 -3.724 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.794 -1.558 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.946 -2.077 -0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.745 -0.814 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.580 -2.199 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.732 -1.486 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.166 -3.191 -0.763 1.00 0.00 H new ATOM 1207 N LEU A 77 3.246 -2.691 -3.387 1.00 0.00 N ATOM 1208 CA LEU A 77 4.645 -2.945 -3.712 1.00 0.00 C ATOM 1209 C LEU A 77 5.534 -1.992 -2.933 1.00 0.00 C ATOM 1210 O LEU A 77 5.620 -0.808 -3.254 1.00 0.00 O ATOM 1211 CB LEU A 77 4.905 -2.778 -5.210 1.00 0.00 C ATOM 1212 CG LEU A 77 4.231 -3.820 -6.106 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.546 -3.549 -7.569 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.667 -5.225 -5.716 1.00 0.00 C ATOM 0 H LEU A 77 2.857 -1.859 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 77 4.875 -3.974 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.567 -1.787 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.981 -2.814 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 77 3.152 -3.746 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.059 -4.300 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.181 -2.559 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.624 -3.594 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.177 -5.951 -6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.748 -5.314 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.389 -5.418 -4.680 1.00 0.00 H new ATOM 1226 N VAL A 78 6.196 -2.512 -1.912 1.00 0.00 N ATOM 1227 CA VAL A 78 7.061 -1.691 -1.084 1.00 0.00 C ATOM 1228 C VAL A 78 8.514 -1.803 -1.533 1.00 0.00 C ATOM 1229 O VAL A 78 9.199 -2.778 -1.227 1.00 0.00 O ATOM 1230 CB VAL A 78 6.944 -2.075 0.402 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.566 -0.858 1.237 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.930 -3.192 0.597 1.00 0.00 C ATOM 0 H VAL A 78 6.151 -3.494 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 78 6.734 -0.658 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 78 7.915 -2.439 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.487 -1.146 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.332 -0.090 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.608 -0.466 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.866 -3.445 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.953 -2.863 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.243 -4.070 0.033 1.00 0.00 H new ATOM 1242 N LYS A 79 8.969 -0.794 -2.272 1.00 0.00 N ATOM 1243 CA LYS A 79 10.328 -0.761 -2.784 1.00 0.00 C ATOM 1244 C LYS A 79 11.193 0.234 -2.010 1.00 0.00 C ATOM 1245 O LYS A 79 11.098 1.440 -2.224 1.00 0.00 O ATOM 1246 CB LYS A 79 10.302 -0.383 -4.262 1.00 0.00 C ATOM 1247 CG LYS A 79 10.327 -1.582 -5.196 1.00 0.00 C ATOM 1248 CD LYS A 79 10.495 -1.158 -6.647 1.00 0.00 C ATOM 1249 CE LYS A 79 9.274 -0.411 -7.158 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.439 0.018 -8.574 1.00 0.00 N ATOM 0 H LYS A 79 8.406 0.017 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 79 10.765 -1.752 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.406 0.205 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.158 0.255 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.143 -2.247 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.402 -2.149 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.376 -0.523 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.669 -2.038 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.395 -1.050 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.095 0.463 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.585 0.524 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.263 0.648 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.585 -0.818 -9.175 1.00 0.00 H new ATOM 1264 N PRO A 80 12.051 -0.254 -1.099 1.00 0.00 N ATOM 1265 CA PRO A 80 12.925 0.614 -0.304 1.00 0.00 C ATOM 1266 C PRO A 80 13.799 1.512 -1.177 1.00 0.00 C ATOM 1267 O PRO A 80 14.839 1.085 -1.676 1.00 0.00 O ATOM 1268 CB PRO A 80 13.791 -0.369 0.489 1.00 0.00 C ATOM 1269 CG PRO A 80 13.016 -1.640 0.511 1.00 0.00 C ATOM 1270 CD PRO A 80 12.235 -1.678 -0.770 1.00 0.00 C ATOM 0 HA PRO A 80 12.353 1.296 0.325 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.763 -0.508 0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.978 -0.004 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.681 -2.500 0.587 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.351 -1.675 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.776 -2.205 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.280 -2.188 -0.644 1.00 0.00 H new ATOM 1278 N ARG A 81 13.367 2.757 -1.362 1.00 0.00 N ATOM 1279 CA ARG A 81 14.116 3.708 -2.172 1.00 0.00 C ATOM 1280 C ARG A 81 15.489 3.970 -1.565 1.00 0.00 C ATOM 1281 O ARG A 81 16.468 4.178 -2.282 1.00 0.00 O ATOM 1282 CB ARG A 81 13.348 5.021 -2.303 1.00 0.00 C ATOM 1283 CG ARG A 81 12.376 5.045 -3.470 1.00 0.00 C ATOM 1284 CD ARG A 81 11.571 6.329 -3.477 1.00 0.00 C ATOM 1285 NE ARG A 81 10.582 6.352 -4.549 1.00 0.00 N ATOM 1286 CZ ARG A 81 9.967 7.456 -4.964 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.243 8.625 -4.400 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.076 7.392 -5.944 1.00 0.00 N ATOM 0 H ARG A 81 12.505 3.128 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 81 14.249 3.275 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.798 5.204 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.060 5.838 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.924 4.950 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.703 4.190 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.067 6.446 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.245 7.178 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 81 10.349 5.471 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.928 8.679 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.770 9.470 -4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.862 6.495 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.605 8.239 -6.261 1.00 0.00 H new ATOM 1302 N LYS A 82 15.549 3.960 -0.237 1.00 0.00 N ATOM 1303 CA LYS A 82 16.798 4.194 0.477 1.00 0.00 C ATOM 1304 C LYS A 82 17.102 3.035 1.423 1.00 0.00 C ATOM 1305 O LYS A 82 16.338 2.073 1.504 1.00 0.00 O ATOM 1306 CB LYS A 82 16.716 5.500 1.271 1.00 0.00 C ATOM 1307 CG LYS A 82 16.147 6.665 0.476 1.00 0.00 C ATOM 1308 CD LYS A 82 16.186 7.957 1.275 1.00 0.00 C ATOM 1309 CE LYS A 82 15.603 9.118 0.485 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.650 10.392 1.254 1.00 0.00 N ATOM 0 H LYS A 82 14.745 3.792 0.367 1.00 0.00 H new ATOM 0 HA LYS A 82 17.602 4.269 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.099 5.339 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.713 5.764 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.715 6.789 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.119 6.444 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.628 7.830 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.216 8.184 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.155 9.236 -0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.570 8.893 0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.713 10.844 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.918 10.193 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.351 11.030 0.826 1.00 0.00 H new ATOM 1324 N ARG A 83 18.222 3.129 2.128 1.00 0.00 N ATOM 1325 CA ARG A 83 18.621 2.093 3.074 1.00 0.00 C ATOM 1326 C ARG A 83 18.701 2.653 4.491 1.00 0.00 C ATOM 1327 O ARG A 83 19.098 3.801 4.693 1.00 0.00 O ATOM 1328 CB ARG A 83 19.967 1.499 2.669 1.00 0.00 C ATOM 1329 CG ARG A 83 20.989 2.546 2.261 1.00 0.00 C ATOM 1330 CD ARG A 83 22.263 1.907 1.739 1.00 0.00 C ATOM 1331 NE ARG A 83 23.280 2.901 1.409 1.00 0.00 N ATOM 1332 CZ ARG A 83 24.535 2.597 1.090 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.926 1.329 1.060 1.00 0.00 N ATOM 1334 NH2 ARG A 83 25.399 3.559 0.801 1.00 0.00 N ATOM 0 H ARG A 83 18.871 3.913 2.063 1.00 0.00 H new ATOM 0 HA ARG A 83 17.866 1.307 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.365 0.918 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 83 19.816 0.807 1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 83 20.563 3.191 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 83 21.223 3.180 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.657 1.221 2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.034 1.315 0.853 1.00 0.00 H new ATOM 0 HE ARG A 83 23.013 3.885 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.264 0.586 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.889 1.098 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 83 25.102 4.535 0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 83 26.361 3.324 0.557 1.00 0.00 H new ATOM 1348 N GLY A 84 18.324 1.835 5.467 1.00 0.00 N ATOM 1349 CA GLY A 84 18.357 2.265 6.852 1.00 0.00 C ATOM 1350 C GLY A 84 17.137 1.814 7.630 1.00 0.00 C ATOM 1351 O GLY A 84 16.956 0.620 7.875 1.00 0.00 O ATOM 0 H GLY A 84 17.996 0.880 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.254 1.872 7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.426 3.352 6.890 1.00 0.00 H new ATOM 1355 N HIS A 85 16.297 2.769 8.018 1.00 0.00 N ATOM 1356 CA HIS A 85 15.087 2.460 8.773 1.00 0.00 C ATOM 1357 C HIS A 85 13.838 2.829 7.980 1.00 0.00 C ATOM 1358 O HIS A 85 13.410 3.983 7.974 1.00 0.00 O ATOM 1359 CB HIS A 85 15.090 3.199 10.111 1.00 0.00 C ATOM 1360 CG HIS A 85 16.256 2.855 10.984 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.365 3.664 11.111 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.481 1.783 11.780 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.223 3.103 11.946 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.711 1.962 12.366 1.00 0.00 N ATOM 0 H HIS A 85 16.431 3.761 7.823 1.00 0.00 H new ATOM 0 HA HIS A 85 15.073 1.386 8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.092 4.273 9.923 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.168 2.970 10.645 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.817 0.944 11.927 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.181 3.510 12.235 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.156 1.317 13.019 1.00 0.00 H new ATOM 1373 N HIS A 86 13.262 1.839 7.306 1.00 0.00 N ATOM 1374 CA HIS A 86 12.058 2.049 6.508 1.00 0.00 C ATOM 1375 C HIS A 86 10.889 1.260 7.087 1.00 0.00 C ATOM 1376 O HIS A 86 11.087 0.340 7.882 1.00 0.00 O ATOM 1377 CB HIS A 86 12.299 1.633 5.057 1.00 0.00 C ATOM 1378 CG HIS A 86 13.361 2.429 4.363 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.456 2.957 5.014 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.488 2.792 3.066 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.209 3.610 4.148 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.643 3.525 2.958 1.00 0.00 N ATOM 0 H HIS A 86 13.610 0.880 7.296 1.00 0.00 H new ATOM 0 HA HIS A 86 11.813 3.111 6.534 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.576 0.579 5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.366 1.730 4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.806 2.550 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.131 4.126 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.005 3.937 2.098 1.00 0.00 H new ATOM 1391 N THR A 87 9.671 1.614 6.684 1.00 0.00 N ATOM 1392 CA THR A 87 8.481 0.932 7.178 1.00 0.00 C ATOM 1393 C THR A 87 7.281 1.148 6.255 1.00 0.00 C ATOM 1394 O THR A 87 7.237 2.111 5.489 1.00 0.00 O ATOM 1395 CB THR A 87 8.112 1.414 8.593 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.247 1.307 9.462 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.962 0.600 9.159 1.00 0.00 C ATOM 0 H THR A 87 9.484 2.365 6.020 1.00 0.00 H new ATOM 0 HA THR A 87 8.721 -0.131 7.205 1.00 0.00 H new ATOM 0 HB THR A 87 7.803 2.457 8.525 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.088 0.601 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.720 0.959 10.159 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.090 0.706 8.514 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.250 -0.450 9.211 1.00 0.00 H new ATOM 1405 N LEU A 88 6.308 0.241 6.341 1.00 0.00 N ATOM 1406 CA LEU A 88 5.098 0.322 5.532 1.00 0.00 C ATOM 1407 C LEU A 88 3.859 0.270 6.421 1.00 0.00 C ATOM 1408 O LEU A 88 3.330 -0.804 6.703 1.00 0.00 O ATOM 1409 CB LEU A 88 5.057 -0.820 4.518 1.00 0.00 C ATOM 1410 CG LEU A 88 3.736 -0.970 3.757 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.576 0.144 2.736 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.665 -2.329 3.080 1.00 0.00 C ATOM 0 H LEU A 88 6.338 -0.563 6.968 1.00 0.00 H new ATOM 0 HA LEU A 88 5.108 1.271 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.859 -0.672 3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.266 -1.755 5.039 1.00 0.00 H new ATOM 0 HG LEU A 88 2.917 -0.897 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.632 0.019 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.582 1.108 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.400 0.105 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.720 -2.419 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.492 -2.429 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.731 -3.114 3.833 1.00 0.00 H new ATOM 1424 N GLU A 89 3.414 1.435 6.869 1.00 0.00 N ATOM 1425 CA GLU A 89 2.247 1.525 7.730 1.00 0.00 C ATOM 1426 C GLU A 89 0.952 1.286 6.967 1.00 0.00 C ATOM 1427 O GLU A 89 0.391 2.210 6.386 1.00 0.00 O ATOM 1428 CB GLU A 89 2.200 2.898 8.393 1.00 0.00 C ATOM 1429 CG GLU A 89 3.266 3.087 9.448 1.00 0.00 C ATOM 1430 CD GLU A 89 3.250 4.475 10.057 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.941 5.367 9.520 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.548 4.671 11.071 1.00 0.00 O ATOM 0 H GLU A 89 3.846 2.333 6.649 1.00 0.00 H new ATOM 0 HA GLU A 89 2.337 0.744 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.314 3.667 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.219 3.042 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.126 2.348 10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.245 2.900 9.006 1.00 0.00 H new ATOM 1439 N LEU A 90 0.482 0.043 6.965 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.771 -0.290 6.297 1.00 0.00 C ATOM 1441 C LEU A 90 -1.874 -0.462 7.331 1.00 0.00 C ATOM 1442 O LEU A 90 -1.680 -1.121 8.354 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.633 -1.557 5.446 1.00 0.00 C ATOM 1444 CG LEU A 90 0.206 -1.400 4.174 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.263 -2.713 3.409 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.355 -0.294 3.292 1.00 0.00 C ATOM 0 H LEU A 90 0.946 -0.746 7.415 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.029 0.530 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.190 -2.341 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.630 -1.897 5.165 1.00 0.00 H new ATOM 0 HG LEU A 90 1.220 -1.124 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.863 -2.584 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.713 -3.481 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.746 -3.017 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.256 -0.199 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.379 -0.538 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.344 0.649 3.839 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.031 0.132 7.064 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.151 0.061 7.990 1.00 0.00 C ATOM 1460 C VAL A 91 -5.483 -0.135 7.259 1.00 0.00 C ATOM 1461 O VAL A 91 -5.620 0.221 6.081 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.231 1.352 8.832 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.417 2.564 7.928 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.344 1.265 9.869 1.00 0.00 C ATOM 0 H VAL A 91 -3.216 0.667 6.215 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.979 -0.800 8.636 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.290 1.467 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.472 3.467 8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.573 2.639 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.339 2.454 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.376 2.189 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.300 1.119 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.154 0.425 10.537 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.451 -0.717 7.969 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.786 -0.942 7.427 1.00 0.00 C ATOM 1476 C TYR A 92 -8.709 0.179 7.899 1.00 0.00 C ATOM 1477 O TYR A 92 -9.331 0.079 8.955 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.319 -2.303 7.887 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.417 -2.874 7.014 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.336 -2.813 5.627 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.528 -3.487 7.578 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.331 -3.343 4.830 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.526 -4.022 6.787 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.423 -3.948 5.415 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.415 -4.480 4.624 1.00 0.00 O ATOM 0 H TYR A 92 -6.330 -1.042 8.928 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.745 -0.942 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.491 -3.012 7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.695 -2.207 8.906 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.480 -2.343 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.613 -3.546 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.254 -3.284 3.754 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.383 -4.496 7.242 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.112 -4.870 5.192 1.00 0.00 H new ATOM 1495 N THR A 93 -8.786 1.248 7.111 1.00 0.00 N ATOM 1496 CA THR A 93 -9.591 2.414 7.474 1.00 0.00 C ATOM 1497 C THR A 93 -10.685 2.720 6.462 1.00 0.00 C ATOM 1498 O THR A 93 -10.747 2.122 5.399 1.00 0.00 O ATOM 1499 CB THR A 93 -8.698 3.654 7.572 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.486 4.812 7.862 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.946 3.858 6.267 1.00 0.00 C ATOM 0 H THR A 93 -8.302 1.332 6.217 1.00 0.00 H new ATOM 0 HA THR A 93 -10.057 2.174 8.429 1.00 0.00 H new ATOM 0 HB THR A 93 -7.981 3.504 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.641 5.317 7.037 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.313 4.742 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.326 2.985 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.659 3.993 5.454 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.540 3.678 6.807 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.621 4.100 5.926 1.00 0.00 C ATOM 1511 C ARG A 94 -12.261 5.429 5.262 1.00 0.00 C ATOM 1512 O ARG A 94 -12.469 6.492 5.846 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.928 4.249 6.706 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.410 2.957 7.343 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.756 3.139 8.023 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.792 3.558 7.083 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.070 3.716 7.416 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.468 3.491 8.660 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.951 4.102 6.502 1.00 0.00 N ATOM 0 H ARG A 94 -11.504 4.178 7.695 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.759 3.337 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.792 4.999 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.701 4.623 6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.488 2.182 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.676 2.614 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.053 2.203 8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.664 3.881 8.816 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.520 3.740 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.793 3.196 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.449 3.613 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.648 4.278 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.931 4.223 6.757 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.700 5.387 4.038 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.307 6.595 3.307 1.00 0.00 C ATOM 1535 C PRO A 95 -12.391 7.667 3.317 1.00 0.00 C ATOM 1536 O PRO A 95 -12.097 8.862 3.279 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.076 6.079 1.886 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.664 4.661 2.065 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.405 4.159 3.272 1.00 0.00 C ATOM 0 HA PRO A 95 -10.437 7.077 3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.981 6.156 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.304 6.655 1.376 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.910 4.070 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.586 4.584 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.318 3.633 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.800 3.461 3.851 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.644 7.230 3.371 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.774 8.140 3.386 1.00 0.00 C ATOM 1549 C PHE A 96 -14.923 8.816 4.748 1.00 0.00 C ATOM 1550 O PHE A 96 -15.274 9.993 4.830 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.049 7.372 3.039 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.808 6.130 2.225 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.217 6.208 0.973 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -16.169 4.885 2.715 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.991 5.068 0.227 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.945 3.742 1.972 1.00 0.00 C ATOM 1557 CZ PHE A 96 -15.355 3.833 0.726 1.00 0.00 C ATOM 0 H PHE A 96 -13.900 6.243 3.405 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.601 8.919 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.559 7.097 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.720 8.031 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.930 7.171 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.630 4.807 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.530 5.142 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.231 2.778 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 96 -15.179 2.941 0.144 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.653 8.066 5.813 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.761 8.594 7.170 1.00 0.00 C ATOM 1569 C GLU A 97 -13.393 8.979 7.727 1.00 0.00 C ATOM 1570 O GLU A 97 -13.023 10.154 7.736 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.422 7.564 8.091 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.817 7.155 7.645 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.784 8.323 7.608 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -17.885 8.977 6.549 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.441 8.581 8.639 1.00 0.00 O ATOM 0 H GLU A 97 -14.358 7.091 5.763 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.379 9.491 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.791 6.677 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.478 7.974 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.760 6.704 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.201 6.391 8.321 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.648 7.980 8.188 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.331 8.225 8.750 1.00 0.00 C ATOM 1584 C GLY A 98 -10.729 6.980 9.355 1.00 0.00 C ATOM 1585 O GLY A 98 -11.355 5.920 9.365 1.00 0.00 O ATOM 0 H GLY A 98 -12.934 7.001 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.670 8.604 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.402 9.000 9.513 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.513 7.109 9.863 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.814 5.983 10.458 1.00 0.00 C ATOM 1591 C ILE A 99 -8.999 5.948 11.968 1.00 0.00 C ATOM 1592 O ILE A 99 -9.245 6.975 12.600 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.316 6.032 10.127 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.110 6.518 8.689 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.697 4.656 10.330 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.705 7.005 8.411 1.00 0.00 C ATOM 0 H ILE A 99 -8.990 7.985 9.875 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.246 5.077 10.034 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.822 6.735 10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.347 5.705 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.813 7.325 8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.634 4.697 10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.826 4.348 11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.187 3.936 9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.632 7.334 7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.471 7.839 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.998 6.194 8.585 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.877 4.755 12.539 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.039 4.568 13.972 1.00 0.00 C ATOM 1610 C LYS A 100 -8.022 3.566 14.511 1.00 0.00 C ATOM 1611 O LYS A 100 -7.440 2.790 13.751 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.460 4.088 14.268 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.534 4.991 13.682 1.00 0.00 C ATOM 1614 CD LYS A 100 -12.916 4.372 13.803 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.622 4.325 12.457 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.975 3.712 12.559 1.00 0.00 N ATOM 0 H LYS A 100 -8.665 3.899 12.026 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.867 5.523 14.469 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.586 3.081 13.871 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.597 4.025 15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.520 5.953 14.194 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.313 5.186 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -12.830 3.363 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.514 4.948 14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.711 5.336 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.018 3.756 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.422 3.699 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.889 2.739 12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.560 4.270 13.213 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.796 3.573 15.834 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.846 2.664 16.480 1.00 0.00 C ATOM 1632 C PRO A 101 -7.352 1.227 16.498 1.00 0.00 C ATOM 1633 O PRO A 101 -6.584 0.284 16.305 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.744 3.213 17.904 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.040 3.910 18.135 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.457 4.464 16.803 1.00 0.00 C ATOM 0 HA PRO A 101 -5.891 2.626 15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.591 2.412 18.627 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.902 3.898 18.005 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.790 3.220 18.522 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.929 4.706 18.871 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.541 4.451 16.685 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.135 5.498 16.681 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.651 1.069 16.731 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.267 -0.250 16.772 1.00 0.00 C ATOM 1646 C GLU A 102 -9.198 -0.927 15.408 1.00 0.00 C ATOM 1647 O GLU A 102 -9.172 -2.154 15.314 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.718 -0.142 17.228 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.513 0.856 16.419 1.00 0.00 C ATOM 1650 CD GLU A 102 -12.953 0.972 16.877 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.230 1.814 17.757 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.805 0.222 16.356 1.00 0.00 O ATOM 0 H GLU A 102 -9.298 1.841 16.894 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.714 -0.860 17.486 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.191 -1.121 17.155 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.743 0.146 18.279 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.036 1.834 16.486 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.493 0.563 15.369 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.171 -0.118 14.351 1.00 0.00 N ATOM 1660 CA ASN A 103 -9.103 -0.639 12.989 1.00 0.00 C ATOM 1661 C ASN A 103 -7.913 -1.579 12.816 1.00 0.00 C ATOM 1662 O ASN A 103 -6.905 -1.454 13.511 1.00 0.00 O ATOM 1663 CB ASN A 103 -9.008 0.510 11.985 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.245 1.390 11.977 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.173 2.574 11.651 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.390 0.816 12.335 1.00 0.00 N ATOM 0 H ASN A 103 -9.195 0.900 14.412 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.016 -1.204 12.802 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.136 1.120 12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.852 0.102 10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.252 1.361 12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.406 -0.169 12.598 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.044 -2.523 11.885 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.987 -3.486 11.611 1.00 0.00 C ATOM 1675 C GLU A 104 -5.664 -2.779 11.340 1.00 0.00 C ATOM 1676 O GLU A 104 -5.640 -1.618 10.934 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.370 -4.357 10.416 1.00 0.00 C ATOM 1678 CG GLU A 104 -6.953 -5.812 10.557 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.659 -6.721 9.570 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -8.901 -6.820 9.638 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -6.969 -7.334 8.728 1.00 0.00 O ATOM 0 H GLU A 104 -8.877 -2.639 11.307 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.863 -4.118 12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.450 -4.310 10.276 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.914 -3.944 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.876 -5.893 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.165 -6.150 11.571 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.572 -3.494 11.562 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.236 -2.944 11.356 1.00 0.00 C ATOM 1690 C ARG A 105 -2.413 -3.861 10.459 1.00 0.00 C ATOM 1691 O ARG A 105 -2.800 -5.001 10.207 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.530 -2.774 12.710 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.188 -2.059 12.635 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.371 -0.558 12.714 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.991 -0.161 13.973 1.00 0.00 N ATOM 1696 CZ ARG A 105 -2.150 1.103 14.354 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.733 2.091 13.574 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.726 1.379 15.516 1.00 0.00 N ATOM 0 H ARG A 105 -4.583 -4.461 11.886 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.330 -1.973 10.870 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.186 -2.220 13.381 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.379 -3.758 13.153 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.546 -2.395 13.450 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.684 -2.320 11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.403 -0.067 12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.988 -0.221 11.881 1.00 0.00 H new ATOM 0 HE ARG A 105 -2.322 -0.896 14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.289 1.882 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.856 3.060 13.868 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.048 0.621 16.119 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.847 2.349 15.807 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.306 -3.336 9.946 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.390 -4.103 9.112 1.00 0.00 C ATOM 1714 C TYR A 106 0.816 -3.242 8.755 1.00 0.00 C ATOM 1715 O TYR A 106 1.043 -2.902 7.596 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.092 -4.622 7.856 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.273 -5.616 7.060 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.265 -6.964 7.397 1.00 0.00 C ATOM 1719 CD2 TYR A 106 0.487 -5.209 5.973 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.478 -7.876 6.673 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.233 -6.114 5.244 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.226 -7.447 5.597 1.00 0.00 C ATOM 1723 OH TYR A 106 1.968 -8.351 4.873 1.00 0.00 O ATOM 0 H TYR A 106 -1.019 -2.369 10.096 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.047 -4.974 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.033 -5.091 8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.341 -3.776 7.215 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.849 -7.304 8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.495 -4.166 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.473 -8.920 6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.819 -5.779 4.401 1.00 0.00 H new ATOM 0 HH TYR A 106 2.435 -7.885 4.148 1.00 0.00 H new ATOM 1733 N THR A 107 1.577 -2.876 9.780 1.00 0.00 N ATOM 1734 CA THR A 107 2.758 -2.046 9.602 1.00 0.00 C ATOM 1735 C THR A 107 3.982 -2.902 9.292 1.00 0.00 C ATOM 1736 O THR A 107 4.664 -3.380 10.198 1.00 0.00 O ATOM 1737 CB THR A 107 3.032 -1.198 10.857 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.822 -0.571 11.298 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.078 -0.134 10.572 1.00 0.00 C ATOM 0 H THR A 107 1.394 -3.144 10.747 1.00 0.00 H new ATOM 0 HA THR A 107 2.565 -1.381 8.761 1.00 0.00 H new ATOM 0 HB THR A 107 3.408 -1.858 11.639 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.508 -1.006 12.118 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.255 0.453 11.473 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.007 -0.611 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.723 0.521 9.776 1.00 0.00 H new ATOM 1747 N LEU A 108 4.248 -3.094 8.005 1.00 0.00 N ATOM 1748 CA LEU A 108 5.383 -3.897 7.569 1.00 0.00 C ATOM 1749 C LEU A 108 6.696 -3.147 7.756 1.00 0.00 C ATOM 1750 O LEU A 108 7.097 -2.354 6.904 1.00 0.00 O ATOM 1751 CB LEU A 108 5.216 -4.300 6.101 1.00 0.00 C ATOM 1752 CG LEU A 108 6.399 -5.060 5.490 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.788 -6.243 6.364 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.064 -5.523 4.082 1.00 0.00 C ATOM 0 H LEU A 108 3.692 -2.704 7.244 1.00 0.00 H new ATOM 0 HA LEU A 108 5.413 -4.795 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.323 -4.918 6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.041 -3.400 5.512 1.00 0.00 H new ATOM 0 HG LEU A 108 7.251 -4.382 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.629 -6.768 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.073 -5.886 7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.941 -6.923 6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.915 -6.061 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.197 -6.183 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.839 -4.658 3.458 1.00 0.00 H new ATOM 1766 N HIS A 109 7.360 -3.401 8.878 1.00 0.00 N ATOM 1767 CA HIS A 109 8.632 -2.756 9.170 1.00 0.00 C ATOM 1768 C HIS A 109 9.768 -3.438 8.420 1.00 0.00 C ATOM 1769 O HIS A 109 9.780 -4.659 8.257 1.00 0.00 O ATOM 1770 CB HIS A 109 8.901 -2.757 10.670 1.00 0.00 C ATOM 1771 CG HIS A 109 8.243 -1.628 11.396 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.919 -0.498 11.802 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.958 -1.456 11.787 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.080 0.320 12.413 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.884 -0.238 12.416 1.00 0.00 N ATOM 0 H HIS A 109 7.038 -4.048 9.598 1.00 0.00 H new ATOM 0 HA HIS A 109 8.575 -1.721 8.832 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.555 -3.700 11.092 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.977 -2.708 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.143 -2.148 11.633 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.330 1.281 12.837 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.041 0.170 12.820 1.00 0.00 H new ATOM 1784 N LEU A 110 10.729 -2.635 7.984 1.00 0.00 N ATOM 1785 CA LEU A 110 11.867 -3.126 7.219 1.00 0.00 C ATOM 1786 C LEU A 110 13.139 -2.360 7.563 1.00 0.00 C ATOM 1787 O LEU A 110 13.301 -1.205 7.171 1.00 0.00 O ATOM 1788 CB LEU A 110 11.589 -2.990 5.719 1.00 0.00 C ATOM 1789 CG LEU A 110 10.367 -3.755 5.203 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.088 -3.389 3.752 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.569 -5.256 5.348 1.00 0.00 C ATOM 0 H LEU A 110 10.742 -1.629 8.150 1.00 0.00 H new ATOM 0 HA LEU A 110 12.012 -4.175 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.459 -1.933 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.468 -3.332 5.172 1.00 0.00 H new ATOM 0 HG LEU A 110 9.504 -3.470 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.217 -3.940 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.895 -2.319 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.952 -3.645 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.689 -5.779 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.443 -5.563 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.720 -5.503 6.399 1.00 0.00 H new ATOM 1803 N ASN A 111 14.037 -3.002 8.300 1.00 0.00 N ATOM 1804 CA ASN A 111 15.302 -2.384 8.666 1.00 0.00 C ATOM 1805 C ASN A 111 16.285 -2.547 7.516 1.00 0.00 C ATOM 1806 O ASN A 111 17.290 -3.249 7.630 1.00 0.00 O ATOM 1807 CB ASN A 111 15.860 -3.011 9.944 1.00 0.00 C ATOM 1808 CG ASN A 111 17.169 -2.380 10.376 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.411 -1.196 10.137 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.024 -3.170 11.016 1.00 0.00 N ATOM 0 H ASN A 111 13.911 -3.950 8.655 1.00 0.00 H new ATOM 0 HA ASN A 111 15.143 -1.323 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.128 -2.907 10.745 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.010 -4.079 9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.922 -2.801 11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.783 -4.145 11.193 1.00 0.00 H new ATOM 1817 N VAL A 112 15.965 -1.899 6.400 1.00 0.00 N ATOM 1818 CA VAL A 112 16.782 -1.968 5.195 1.00 0.00 C ATOM 1819 C VAL A 112 18.269 -1.864 5.519 1.00 0.00 C ATOM 1820 O VAL A 112 18.681 -1.041 6.336 1.00 0.00 O ATOM 1821 CB VAL A 112 16.413 -0.852 4.198 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.816 -1.247 2.791 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.926 -0.535 4.262 1.00 0.00 C ATOM 0 H VAL A 112 15.135 -1.314 6.306 1.00 0.00 H new ATOM 0 HA VAL A 112 16.580 -2.938 4.742 1.00 0.00 H new ATOM 0 HB VAL A 112 16.961 0.049 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.549 -0.449 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.892 -1.414 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.297 -2.162 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.691 0.255 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.353 -1.428 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.667 -0.205 5.268 1.00 0.00 H new ATOM 1833 N LYS A 113 19.070 -2.706 4.871 1.00 0.00 N ATOM 1834 CA LYS A 113 20.511 -2.712 5.088 1.00 0.00 C ATOM 1835 C LYS A 113 21.177 -1.550 4.355 1.00 0.00 C ATOM 1836 O LYS A 113 21.505 -1.715 3.161 1.00 0.00 O ATOM 1837 CB LYS A 113 21.109 -4.039 4.619 1.00 0.00 C ATOM 1838 CG LYS A 113 20.553 -5.249 5.351 1.00 0.00 C ATOM 1839 CD LYS A 113 20.963 -5.250 6.815 1.00 0.00 C ATOM 1840 CE LYS A 113 20.401 -6.455 7.550 1.00 0.00 C ATOM 1841 NZ LYS A 113 20.890 -7.737 6.969 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.363 -0.486 4.982 1.00 0.00 O ATOM 0 H LYS A 113 18.744 -3.393 4.191 1.00 0.00 H new ATOM 0 HA LYS A 113 20.695 -2.595 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.924 -4.154 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.190 -4.008 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.466 -5.253 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.909 -6.161 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.050 -5.252 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.612 -4.335 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 113 20.682 -6.402 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.312 -6.430 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.655 -8.521 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.436 -7.896 6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.921 -7.690 6.843 1.00 0.00 H new