USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 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 Single : A 411 MET CE :methyl 136:sc= -1.76 (180deg=-4.13!) USER MOD Single : A 413 LYS NZ :NH3+ -148:sc= -4.67! (180deg=-5.02!) USER MOD Single : A 415 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.93) USER MOD Single : A 417 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.7!) USER MOD Single : A 418 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.12) USER MOD Single : A 420 TYR OH : rot 83:sc= 0.00484 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 53:sc= 0.556 USER MOD Single : A 425 THR OG1 : rot -46:sc= 0.138 USER MOD Single : A 429 GLN : amide:sc=-0.00999 X(o=-0.01,f=0) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 GLN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 443 ASN : amide:sc= -0.675 K(o=-0.67,f=1.1) USER MOD Single : A 447 GLN : amide:sc= -1.33! C(o=-1.3!,f=-3.6!) USER MOD Single : A 453 MET CE :methyl 150:sc= -3.81 (180deg=-5.81!) USER MOD Single : A 456 LYS NZ :NH3+ 174:sc= 0.00571 (180deg=-0.0158) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.55) USER MOD Single : A 478 THR OG1 : rot -87:sc= -0.737 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 12.799 -2.517 -4.311 1.00 0.00 N ATOM 83 CA PRO A 407 13.346 -2.598 -5.655 1.00 0.00 C ATOM 84 C PRO A 407 14.797 -3.082 -5.627 1.00 0.00 C ATOM 85 O PRO A 407 15.600 -2.605 -4.827 1.00 0.00 O ATOM 86 CB PRO A 407 13.199 -1.197 -6.225 1.00 0.00 C ATOM 87 CG PRO A 407 13.005 -0.278 -5.030 1.00 0.00 C ATOM 88 CD PRO A 407 12.690 -1.145 -3.822 1.00 0.00 C ATOM 0 HA PRO A 407 12.824 -3.324 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 407 14.083 -0.913 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 407 12.348 -1.139 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 407 13.904 0.312 -4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 407 12.194 0.425 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 407 13.390 -0.958 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 407 11.691 -0.940 -3.437 1.00 0.00 H new ATOM 96 N PRO A 408 15.098 -4.050 -6.535 1.00 0.00 N ATOM 97 CA PRO A 408 16.438 -4.604 -6.622 1.00 0.00 C ATOM 98 C PRO A 408 17.395 -3.622 -7.301 1.00 0.00 C ATOM 99 O PRO A 408 17.002 -2.898 -8.215 1.00 0.00 O ATOM 100 CB PRO A 408 16.277 -5.904 -7.392 1.00 0.00 C ATOM 101 CG PRO A 408 14.939 -5.802 -8.108 1.00 0.00 C ATOM 102 CD PRO A 408 14.173 -4.639 -7.498 1.00 0.00 C ATOM 0 HA PRO A 408 16.881 -4.788 -5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 408 17.091 -6.040 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 408 16.295 -6.761 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 408 15.088 -5.643 -9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 408 14.376 -6.729 -8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 408 13.880 -3.916 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 408 13.259 -4.979 -7.012 1.00 0.00 H new ATOM 110 N GLY A 409 18.632 -3.628 -6.827 1.00 0.00 N ATOM 111 CA GLY A 409 19.648 -2.746 -7.377 1.00 0.00 C ATOM 112 C GLY A 409 19.637 -1.389 -6.671 1.00 0.00 C ATOM 113 O GLY A 409 20.637 -0.673 -6.679 1.00 0.00 O ATOM 0 H GLY A 409 18.954 -4.229 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 409 20.630 -3.207 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 409 19.474 -2.606 -8.444 1.00 0.00 H new ATOM 117 N PHE A 410 18.495 -1.076 -6.076 1.00 0.00 N ATOM 118 CA PHE A 410 18.340 0.182 -5.366 1.00 0.00 C ATOM 119 C PHE A 410 19.632 0.564 -4.640 1.00 0.00 C ATOM 120 O PHE A 410 20.387 -0.307 -4.210 1.00 0.00 O ATOM 121 CB PHE A 410 17.229 -0.020 -4.334 1.00 0.00 C ATOM 122 CG PHE A 410 17.260 0.986 -3.182 1.00 0.00 C ATOM 123 CD1 PHE A 410 16.772 2.243 -3.364 1.00 0.00 C ATOM 124 CD2 PHE A 410 17.774 0.624 -1.976 1.00 0.00 C ATOM 125 CE1 PHE A 410 16.801 3.177 -2.295 1.00 0.00 C ATOM 126 CE2 PHE A 410 17.802 1.558 -0.907 1.00 0.00 C ATOM 127 CZ PHE A 410 17.315 2.815 -1.089 1.00 0.00 C ATOM 0 H PHE A 410 17.668 -1.673 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 410 18.101 0.979 -6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 410 16.264 0.048 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 410 17.306 -1.028 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 410 16.363 2.530 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 410 18.161 -0.374 -1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 410 16.415 4.175 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 410 18.210 1.270 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 410 17.337 3.525 -0.276 1.00 0.00 H new ATOM 137 N MET A 411 19.846 1.866 -4.526 1.00 0.00 N ATOM 138 CA MET A 411 21.033 2.374 -3.860 1.00 0.00 C ATOM 139 C MET A 411 20.675 3.016 -2.517 1.00 0.00 C ATOM 140 O MET A 411 21.029 2.493 -1.462 1.00 0.00 O ATOM 141 CB MET A 411 21.717 3.409 -4.754 1.00 0.00 C ATOM 142 CG MET A 411 22.042 2.818 -6.128 1.00 0.00 C ATOM 143 SD MET A 411 23.182 3.882 -6.996 1.00 0.00 S ATOM 144 CE MET A 411 22.360 3.992 -8.577 1.00 0.00 C ATOM 0 H MET A 411 19.217 2.585 -4.884 1.00 0.00 H new ATOM 0 HA MET A 411 21.708 1.539 -3.674 1.00 0.00 H new ATOM 0 HB2 MET A 411 21.069 4.278 -4.872 1.00 0.00 H new ATOM 0 HB3 MET A 411 22.634 3.757 -4.278 1.00 0.00 H new ATOM 0 HG2 MET A 411 22.475 1.824 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 411 21.127 2.701 -6.708 1.00 0.00 H new ATOM 0 HE1 MET A 411 22.371 5.026 -8.922 1.00 0.00 H new ATOM 0 HE2 MET A 411 22.878 3.363 -9.301 1.00 0.00 H new ATOM 0 HE3 MET A 411 21.329 3.654 -8.475 1.00 0.00 H new ATOM 154 N PHE A 412 19.979 4.140 -2.602 1.00 0.00 N ATOM 155 CA PHE A 412 19.570 4.858 -1.407 1.00 0.00 C ATOM 156 C PHE A 412 18.392 5.789 -1.703 1.00 0.00 C ATOM 157 O PHE A 412 17.918 5.854 -2.836 1.00 0.00 O ATOM 158 CB PHE A 412 20.768 5.699 -0.958 1.00 0.00 C ATOM 159 CG PHE A 412 21.398 6.531 -2.077 1.00 0.00 C ATOM 160 CD1 PHE A 412 22.400 6.006 -2.832 1.00 0.00 C ATOM 161 CD2 PHE A 412 20.956 7.795 -2.316 1.00 0.00 C ATOM 162 CE1 PHE A 412 22.985 6.779 -3.870 1.00 0.00 C ATOM 163 CE2 PHE A 412 21.541 8.567 -3.354 1.00 0.00 C ATOM 164 CZ PHE A 412 22.543 8.042 -4.109 1.00 0.00 C ATOM 0 H PHE A 412 19.688 4.571 -3.479 1.00 0.00 H new ATOM 0 HA PHE A 412 19.257 4.152 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 412 20.450 6.367 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 412 21.527 5.038 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 412 22.751 5.002 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 412 20.160 8.211 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 412 23.781 6.363 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 412 21.190 9.571 -3.544 1.00 0.00 H new ATOM 0 HZ PHE A 412 22.988 8.629 -4.899 1.00 0.00 H new ATOM 174 N LYS A 413 17.954 6.485 -0.664 1.00 0.00 N ATOM 175 CA LYS A 413 16.840 7.408 -0.798 1.00 0.00 C ATOM 176 C LYS A 413 17.376 8.839 -0.876 1.00 0.00 C ATOM 177 O LYS A 413 18.398 9.157 -0.269 1.00 0.00 O ATOM 178 CB LYS A 413 15.826 7.191 0.327 1.00 0.00 C ATOM 179 CG LYS A 413 14.469 7.799 -0.034 1.00 0.00 C ATOM 180 CD LYS A 413 13.987 8.754 1.061 1.00 0.00 C ATOM 181 CE LYS A 413 14.409 10.193 0.757 1.00 0.00 C ATOM 182 NZ LYS A 413 14.263 11.040 1.962 1.00 0.00 N ATOM 0 H LYS A 413 18.350 6.428 0.274 1.00 0.00 H new ATOM 0 HA LYS A 413 16.298 7.219 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 413 15.711 6.124 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 413 16.197 7.641 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 413 14.547 8.334 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 413 13.737 7.004 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 413 12.902 8.699 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 413 14.397 8.446 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 413 15.444 10.211 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 413 13.800 10.594 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 14.016 12.009 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 13.510 10.655 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 15.160 11.052 2.489 1.00 0.00 H new ATOM 196 N VAL A 414 16.662 9.664 -1.627 1.00 0.00 N ATOM 197 CA VAL A 414 17.053 11.054 -1.792 1.00 0.00 C ATOM 198 C VAL A 414 15.824 11.949 -1.623 1.00 0.00 C ATOM 199 O VAL A 414 14.695 11.501 -1.816 1.00 0.00 O ATOM 200 CB VAL A 414 17.751 11.245 -3.140 1.00 0.00 C ATOM 201 CG1 VAL A 414 18.702 10.083 -3.435 1.00 0.00 C ATOM 202 CG2 VAL A 414 16.730 11.417 -4.266 1.00 0.00 C ATOM 0 H VAL A 414 15.815 9.397 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 414 17.772 11.342 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 414 18.345 12.157 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 414 19.185 10.244 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 414 19.460 10.026 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 414 18.139 9.150 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 414 17.252 11.551 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 414 16.098 10.531 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 414 16.111 12.292 -4.066 1.00 0.00 H new ATOM 212 N GLN A 415 16.085 13.197 -1.265 1.00 0.00 N ATOM 213 CA GLN A 415 15.014 14.159 -1.068 1.00 0.00 C ATOM 214 C GLN A 415 15.203 15.361 -1.995 1.00 0.00 C ATOM 215 O GLN A 415 16.291 15.929 -2.068 1.00 0.00 O ATOM 216 CB GLN A 415 14.937 14.602 0.395 1.00 0.00 C ATOM 217 CG GLN A 415 14.071 15.854 0.543 1.00 0.00 C ATOM 218 CD GLN A 415 12.837 15.569 1.403 1.00 0.00 C ATOM 219 OE1 GLN A 415 12.913 15.413 2.610 1.00 0.00 O ATOM 220 NE2 GLN A 415 11.700 15.511 0.715 1.00 0.00 N ATOM 0 H GLN A 415 17.023 13.565 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 415 14.069 13.677 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 415 14.524 13.796 1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 415 15.940 14.803 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 415 14.657 16.654 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 415 13.760 16.204 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.708 15.651 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 415 10.821 15.326 1.198 1.00 0.00 H new ATOM 229 N ALA A 416 14.125 15.714 -2.681 1.00 0.00 N ATOM 230 CA ALA A 416 14.159 16.838 -3.601 1.00 0.00 C ATOM 231 C ALA A 416 14.201 18.143 -2.804 1.00 0.00 C ATOM 232 O ALA A 416 13.497 18.287 -1.805 1.00 0.00 O ATOM 233 CB ALA A 416 12.951 16.767 -4.539 1.00 0.00 C ATOM 0 H ALA A 416 13.223 15.241 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 416 15.056 16.800 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 416 12.976 17.610 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.983 15.835 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 416 12.033 16.805 -3.953 1.00 0.00 H new ATOM 239 N GLN A 417 15.034 19.060 -3.274 1.00 0.00 N ATOM 240 CA GLN A 417 15.178 20.348 -2.617 1.00 0.00 C ATOM 241 C GLN A 417 14.549 21.451 -3.470 1.00 0.00 C ATOM 242 O GLN A 417 14.495 22.608 -3.054 1.00 0.00 O ATOM 243 CB GLN A 417 16.648 20.652 -2.323 1.00 0.00 C ATOM 244 CG GLN A 417 17.437 19.364 -2.080 1.00 0.00 C ATOM 245 CD GLN A 417 18.902 19.670 -1.762 1.00 0.00 C ATOM 246 OE1 GLN A 417 19.244 20.161 -0.699 1.00 0.00 O ATOM 247 NE2 GLN A 417 19.745 19.354 -2.741 1.00 0.00 N ATOM 0 H GLN A 417 15.616 18.936 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 417 14.652 20.309 -1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 417 17.084 21.198 -3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.721 21.298 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.990 18.810 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 417 17.378 18.726 -2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 417 19.392 18.945 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 417 20.745 19.520 -2.627 1.00 0.00 H new ATOM 256 N HIS A 418 14.089 21.056 -4.648 1.00 0.00 N ATOM 257 CA HIS A 418 13.466 21.997 -5.563 1.00 0.00 C ATOM 258 C HIS A 418 12.300 21.317 -6.283 1.00 0.00 C ATOM 259 O HIS A 418 12.126 20.104 -6.183 1.00 0.00 O ATOM 260 CB HIS A 418 14.499 22.581 -6.528 1.00 0.00 C ATOM 261 CG HIS A 418 15.533 23.459 -5.863 1.00 0.00 C ATOM 262 ND1 HIS A 418 15.397 24.833 -5.764 1.00 0.00 N ATOM 263 CD2 HIS A 418 16.717 23.145 -5.265 1.00 0.00 C ATOM 264 CE1 HIS A 418 16.459 25.314 -5.134 1.00 0.00 C ATOM 265 NE2 HIS A 418 17.276 24.266 -4.826 1.00 0.00 N ATOM 0 H HIS A 418 14.135 20.096 -4.990 1.00 0.00 H new ATOM 0 HA HIS A 418 13.060 22.840 -5.003 1.00 0.00 H new ATOM 0 HB2 HIS A 418 15.006 21.763 -7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 418 13.981 23.162 -7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 418 17.130 22.152 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 418 16.645 26.353 -4.905 1.00 0.00 H new ATOM 0 HE2 HIS A 418 18.169 24.333 -4.339 1.00 0.00 H new ATOM 273 N ASP A 419 11.530 22.129 -6.993 1.00 0.00 N ATOM 274 CA ASP A 419 10.385 21.622 -7.730 1.00 0.00 C ATOM 275 C ASP A 419 10.654 21.746 -9.231 1.00 0.00 C ATOM 276 O ASP A 419 10.579 22.839 -9.790 1.00 0.00 O ATOM 277 CB ASP A 419 9.123 22.424 -7.407 1.00 0.00 C ATOM 278 CG ASP A 419 9.259 23.401 -6.238 1.00 0.00 C ATOM 279 OD1 ASP A 419 10.170 24.253 -6.313 1.00 0.00 O ATOM 280 OD2 ASP A 419 8.448 23.273 -5.295 1.00 0.00 O ATOM 0 H ASP A 419 11.677 23.135 -7.073 1.00 0.00 H new ATOM 0 HA ASP A 419 10.234 20.581 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 419 8.829 22.983 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 419 8.314 21.727 -7.186 1.00 0.00 H new ATOM 285 N TYR A 420 10.963 20.611 -9.840 1.00 0.00 N ATOM 286 CA TYR A 420 11.244 20.579 -11.265 1.00 0.00 C ATOM 287 C TYR A 420 10.187 19.765 -12.014 1.00 0.00 C ATOM 288 O TYR A 420 10.185 18.537 -11.952 1.00 0.00 O ATOM 289 CB TYR A 420 12.601 19.888 -11.413 1.00 0.00 C ATOM 290 CG TYR A 420 12.752 19.082 -12.704 1.00 0.00 C ATOM 291 CD1 TYR A 420 13.015 19.729 -13.895 1.00 0.00 C ATOM 292 CD2 TYR A 420 12.625 17.708 -12.679 1.00 0.00 C ATOM 293 CE1 TYR A 420 13.157 18.970 -15.110 1.00 0.00 C ATOM 294 CE2 TYR A 420 12.767 16.950 -13.894 1.00 0.00 C ATOM 295 CZ TYR A 420 13.026 17.618 -15.050 1.00 0.00 C ATOM 296 OH TYR A 420 13.161 16.901 -16.198 1.00 0.00 O ATOM 0 H TYR A 420 11.025 19.707 -9.373 1.00 0.00 H new ATOM 0 HA TYR A 420 11.241 21.587 -11.679 1.00 0.00 H new ATOM 0 HB2 TYR A 420 13.387 20.642 -11.374 1.00 0.00 H new ATOM 0 HB3 TYR A 420 12.754 19.224 -10.562 1.00 0.00 H new ATOM 0 HD1 TYR A 420 13.114 20.804 -13.915 1.00 0.00 H new ATOM 0 HD2 TYR A 420 12.419 17.202 -11.748 1.00 0.00 H new ATOM 0 HE1 TYR A 420 13.363 19.464 -16.048 1.00 0.00 H new ATOM 0 HE2 TYR A 420 12.670 15.874 -13.888 1.00 0.00 H new ATOM 0 HH TYR A 420 14.112 16.746 -16.377 1.00 0.00 H new ATOM 306 N THR A 421 9.313 20.483 -12.705 1.00 0.00 N ATOM 307 CA THR A 421 8.253 19.843 -13.465 1.00 0.00 C ATOM 308 C THR A 421 8.811 19.240 -14.756 1.00 0.00 C ATOM 309 O THR A 421 9.275 19.966 -15.634 1.00 0.00 O ATOM 310 CB THR A 421 7.151 20.877 -13.704 1.00 0.00 C ATOM 311 OG1 THR A 421 6.417 20.891 -12.483 1.00 0.00 O ATOM 312 CG2 THR A 421 6.131 20.416 -14.747 1.00 0.00 C ATOM 0 H THR A 421 9.318 21.502 -12.754 1.00 0.00 H new ATOM 0 HA THR A 421 7.821 19.008 -12.914 1.00 0.00 H new ATOM 0 HB THR A 421 7.599 21.817 -14.026 1.00 0.00 H new ATOM 0 HG1 THR A 421 5.683 21.537 -12.550 1.00 0.00 H new ATOM 0 HG21 THR A 421 5.371 21.187 -14.878 1.00 0.00 H new ATOM 0 HG22 THR A 421 6.636 20.239 -15.696 1.00 0.00 H new ATOM 0 HG23 THR A 421 5.658 19.494 -14.410 1.00 0.00 H new ATOM 320 N ALA A 422 8.749 17.919 -14.830 1.00 0.00 N ATOM 321 CA ALA A 422 9.243 17.211 -15.999 1.00 0.00 C ATOM 322 C ALA A 422 8.059 16.627 -16.773 1.00 0.00 C ATOM 323 O ALA A 422 7.325 15.788 -16.253 1.00 0.00 O ATOM 324 CB ALA A 422 10.240 16.136 -15.561 1.00 0.00 C ATOM 0 H ALA A 422 8.364 17.320 -14.100 1.00 0.00 H new ATOM 0 HA ALA A 422 9.770 17.892 -16.667 1.00 0.00 H new ATOM 0 HB1 ALA A 422 10.611 15.605 -16.438 1.00 0.00 H new ATOM 0 HB2 ALA A 422 11.075 16.605 -15.041 1.00 0.00 H new ATOM 0 HB3 ALA A 422 9.745 15.432 -14.892 1.00 0.00 H new ATOM 330 N THR A 423 7.911 17.093 -18.004 1.00 0.00 N ATOM 331 CA THR A 423 6.829 16.628 -18.856 1.00 0.00 C ATOM 332 C THR A 423 7.390 15.905 -20.082 1.00 0.00 C ATOM 333 O THR A 423 7.696 16.536 -21.093 1.00 0.00 O ATOM 334 CB THR A 423 5.953 17.832 -19.208 1.00 0.00 C ATOM 335 OG1 THR A 423 6.872 18.792 -19.722 1.00 0.00 O ATOM 336 CG2 THR A 423 5.362 18.508 -17.969 1.00 0.00 C ATOM 0 H THR A 423 8.522 17.788 -18.432 1.00 0.00 H new ATOM 0 HA THR A 423 6.207 15.895 -18.342 1.00 0.00 H new ATOM 0 HB THR A 423 5.146 17.513 -19.867 1.00 0.00 H new ATOM 0 HG1 THR A 423 7.408 18.383 -20.433 1.00 0.00 H new ATOM 0 HG21 THR A 423 4.749 19.356 -18.275 1.00 0.00 H new ATOM 0 HG22 THR A 423 4.746 17.793 -17.423 1.00 0.00 H new ATOM 0 HG23 THR A 423 6.169 18.857 -17.325 1.00 0.00 H new ATOM 344 N ASP A 424 7.507 14.592 -19.953 1.00 0.00 N ATOM 345 CA ASP A 424 8.025 13.776 -21.038 1.00 0.00 C ATOM 346 C ASP A 424 7.276 12.442 -21.070 1.00 0.00 C ATOM 347 O ASP A 424 6.316 12.247 -20.327 1.00 0.00 O ATOM 348 CB ASP A 424 9.513 13.479 -20.842 1.00 0.00 C ATOM 349 CG ASP A 424 10.299 13.236 -22.132 1.00 0.00 C ATOM 350 OD1 ASP A 424 9.687 13.400 -23.209 1.00 0.00 O ATOM 351 OD2 ASP A 424 11.495 12.892 -22.011 1.00 0.00 O ATOM 0 H ASP A 424 7.252 14.072 -19.113 1.00 0.00 H new ATOM 0 HA ASP A 424 7.887 14.326 -21.969 1.00 0.00 H new ATOM 0 HB2 ASP A 424 9.968 14.314 -20.309 1.00 0.00 H new ATOM 0 HB3 ASP A 424 9.612 12.601 -20.203 1.00 0.00 H new ATOM 356 N THR A 425 7.745 11.558 -21.938 1.00 0.00 N ATOM 357 CA THR A 425 7.132 10.248 -22.077 1.00 0.00 C ATOM 358 C THR A 425 7.810 9.241 -21.145 1.00 0.00 C ATOM 359 O THR A 425 7.529 8.045 -21.208 1.00 0.00 O ATOM 360 CB THR A 425 7.196 9.849 -23.552 1.00 0.00 C ATOM 361 OG1 THR A 425 6.164 8.876 -23.694 1.00 0.00 O ATOM 362 CG2 THR A 425 8.477 9.087 -23.898 1.00 0.00 C ATOM 0 H THR A 425 8.542 11.723 -22.552 1.00 0.00 H new ATOM 0 HA THR A 425 6.084 10.268 -21.777 1.00 0.00 H new ATOM 0 HB THR A 425 7.127 10.742 -24.173 1.00 0.00 H new ATOM 0 HG1 THR A 425 6.221 8.229 -22.960 1.00 0.00 H new ATOM 0 HG21 THR A 425 8.471 8.828 -24.957 1.00 0.00 H new ATOM 0 HG22 THR A 425 9.343 9.713 -23.682 1.00 0.00 H new ATOM 0 HG23 THR A 425 8.531 8.176 -23.302 1.00 0.00 H new ATOM 370 N ASP A 426 8.689 9.762 -20.303 1.00 0.00 N ATOM 371 CA ASP A 426 9.410 8.923 -19.360 1.00 0.00 C ATOM 372 C ASP A 426 10.327 9.798 -18.503 1.00 0.00 C ATOM 373 O ASP A 426 11.546 9.634 -18.526 1.00 0.00 O ATOM 374 CB ASP A 426 10.280 7.897 -20.088 1.00 0.00 C ATOM 375 CG ASP A 426 9.796 6.449 -19.986 1.00 0.00 C ATOM 376 OD1 ASP A 426 8.560 6.262 -20.002 1.00 0.00 O ATOM 377 OD2 ASP A 426 10.672 5.563 -19.894 1.00 0.00 O ATOM 0 H ASP A 426 8.919 10.755 -20.253 1.00 0.00 H new ATOM 0 HA ASP A 426 8.677 8.401 -18.744 1.00 0.00 H new ATOM 0 HB2 ASP A 426 10.335 8.172 -21.141 1.00 0.00 H new ATOM 0 HB3 ASP A 426 11.293 7.954 -19.690 1.00 0.00 H new ATOM 382 N GLU A 427 9.706 10.709 -17.768 1.00 0.00 N ATOM 383 CA GLU A 427 10.451 11.610 -16.906 1.00 0.00 C ATOM 384 C GLU A 427 10.042 11.407 -15.445 1.00 0.00 C ATOM 385 O GLU A 427 9.089 10.684 -15.159 1.00 0.00 O ATOM 386 CB GLU A 427 10.255 13.065 -17.333 1.00 0.00 C ATOM 387 CG GLU A 427 8.769 13.394 -17.494 1.00 0.00 C ATOM 388 CD GLU A 427 7.992 13.061 -16.218 1.00 0.00 C ATOM 389 OE1 GLU A 427 8.480 13.456 -15.138 1.00 0.00 O ATOM 390 OE2 GLU A 427 6.928 12.419 -16.353 1.00 0.00 O ATOM 0 H GLU A 427 8.695 10.842 -17.752 1.00 0.00 H new ATOM 0 HA GLU A 427 11.512 11.378 -17.001 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.700 13.728 -16.591 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.775 13.245 -18.274 1.00 0.00 H new ATOM 0 HG2 GLU A 427 8.651 14.451 -17.731 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.357 12.832 -18.332 1.00 0.00 H new ATOM 397 N LEU A 428 10.783 12.058 -14.561 1.00 0.00 N ATOM 398 CA LEU A 428 10.509 11.958 -13.137 1.00 0.00 C ATOM 399 C LEU A 428 10.255 13.357 -12.571 1.00 0.00 C ATOM 400 O LEU A 428 11.162 14.187 -12.530 1.00 0.00 O ATOM 401 CB LEU A 428 11.634 11.202 -12.427 1.00 0.00 C ATOM 402 CG LEU A 428 11.248 10.489 -11.129 1.00 0.00 C ATOM 403 CD1 LEU A 428 10.278 9.338 -11.403 1.00 0.00 C ATOM 404 CD2 LEU A 428 12.491 10.023 -10.369 1.00 0.00 C ATOM 0 H LEU A 428 11.573 12.657 -14.803 1.00 0.00 H new ATOM 0 HA LEU A 428 9.605 11.375 -12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 428 12.040 10.463 -13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 428 12.436 11.907 -12.207 1.00 0.00 H new ATOM 0 HG LEU A 428 10.728 11.202 -10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 428 10.020 8.848 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 428 9.373 9.728 -11.870 1.00 0.00 H new ATOM 0 HD13 LEU A 428 10.749 8.617 -12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 428 12.189 9.520 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 428 13.060 9.332 -10.991 1.00 0.00 H new ATOM 0 HD23 LEU A 428 13.111 10.885 -10.123 1.00 0.00 H new ATOM 416 N GLN A 429 9.018 13.574 -12.150 1.00 0.00 N ATOM 417 CA GLN A 429 8.634 14.858 -11.589 1.00 0.00 C ATOM 418 C GLN A 429 9.057 14.944 -10.121 1.00 0.00 C ATOM 419 O GLN A 429 8.777 14.039 -9.337 1.00 0.00 O ATOM 420 CB GLN A 429 7.130 15.095 -11.741 1.00 0.00 C ATOM 421 CG GLN A 429 6.803 16.589 -11.701 1.00 0.00 C ATOM 422 CD GLN A 429 5.508 16.888 -12.459 1.00 0.00 C ATOM 423 OE1 GLN A 429 4.466 17.149 -11.881 1.00 0.00 O ATOM 424 NE2 GLN A 429 5.632 16.835 -13.782 1.00 0.00 N ATOM 0 H GLN A 429 8.269 12.883 -12.186 1.00 0.00 H new ATOM 0 HA GLN A 429 9.150 15.643 -12.142 1.00 0.00 H new ATOM 0 HB2 GLN A 429 6.785 14.669 -12.683 1.00 0.00 H new ATOM 0 HB3 GLN A 429 6.595 14.581 -10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 429 6.706 16.916 -10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 429 7.624 17.156 -12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 429 6.534 16.610 -14.201 1.00 0.00 H new ATOM 0 HE22 GLN A 429 4.825 17.019 -14.378 1.00 0.00 H new ATOM 433 N LEU A 430 9.725 16.041 -9.794 1.00 0.00 N ATOM 434 CA LEU A 430 10.189 16.256 -8.434 1.00 0.00 C ATOM 435 C LEU A 430 9.609 17.569 -7.904 1.00 0.00 C ATOM 436 O LEU A 430 9.494 18.545 -8.643 1.00 0.00 O ATOM 437 CB LEU A 430 11.717 16.191 -8.373 1.00 0.00 C ATOM 438 CG LEU A 430 12.316 14.828 -8.017 1.00 0.00 C ATOM 439 CD1 LEU A 430 11.994 14.449 -6.570 1.00 0.00 C ATOM 440 CD2 LEU A 430 11.860 13.754 -9.006 1.00 0.00 C ATOM 0 H LEU A 430 9.956 16.790 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 430 9.832 15.461 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 430 12.113 16.498 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 430 12.063 16.920 -7.641 1.00 0.00 H new ATOM 0 HG LEU A 430 13.401 14.900 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 430 12.431 13.477 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 430 12.408 15.199 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 430 10.913 14.401 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 430 12.300 12.795 -8.730 1.00 0.00 H new ATOM 0 HD22 LEU A 430 10.773 13.675 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 430 12.182 14.025 -10.012 1.00 0.00 H new ATOM 452 N LYS A 431 9.257 17.549 -6.626 1.00 0.00 N ATOM 453 CA LYS A 431 8.691 18.726 -5.988 1.00 0.00 C ATOM 454 C LYS A 431 9.532 19.090 -4.763 1.00 0.00 C ATOM 455 O LYS A 431 9.796 18.241 -3.913 1.00 0.00 O ATOM 456 CB LYS A 431 7.210 18.504 -5.674 1.00 0.00 C ATOM 457 CG LYS A 431 7.016 17.278 -4.781 1.00 0.00 C ATOM 458 CD LYS A 431 6.739 16.028 -5.618 1.00 0.00 C ATOM 459 CE LYS A 431 5.485 16.208 -6.475 1.00 0.00 C ATOM 460 NZ LYS A 431 4.474 15.181 -6.137 1.00 0.00 N ATOM 0 H LYS A 431 9.353 16.737 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 431 8.725 19.580 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.803 19.386 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.654 18.374 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.907 17.122 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 431 6.187 17.451 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.595 15.819 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.614 15.167 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 431 5.069 17.203 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 431 5.746 16.136 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 3.629 15.318 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 4.869 14.235 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 4.213 15.268 -5.134 1.00 0.00 H new ATOM 474 N ALA A 432 9.928 20.353 -4.711 1.00 0.00 N ATOM 475 CA ALA A 432 10.733 20.840 -3.604 1.00 0.00 C ATOM 476 C ALA A 432 10.304 20.133 -2.317 1.00 0.00 C ATOM 477 O ALA A 432 9.287 20.484 -1.721 1.00 0.00 O ATOM 478 CB ALA A 432 10.599 22.361 -3.505 1.00 0.00 C ATOM 0 H ALA A 432 9.706 21.054 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 432 11.787 20.615 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 432 11.203 22.726 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 432 10.944 22.818 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 432 9.555 22.624 -3.337 1.00 0.00 H new ATOM 484 N GLY A 433 11.100 19.149 -1.927 1.00 0.00 N ATOM 485 CA GLY A 433 10.816 18.389 -0.721 1.00 0.00 C ATOM 486 C GLY A 433 10.044 17.109 -1.050 1.00 0.00 C ATOM 487 O GLY A 433 8.990 16.850 -0.472 1.00 0.00 O ATOM 0 H GLY A 433 11.942 18.860 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 433 11.749 18.136 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 433 10.236 19.000 -0.029 1.00 0.00 H new ATOM 491 N ASP A 434 10.600 16.342 -1.976 1.00 0.00 N ATOM 492 CA ASP A 434 9.977 15.096 -2.388 1.00 0.00 C ATOM 493 C ASP A 434 10.874 13.924 -1.984 1.00 0.00 C ATOM 494 O ASP A 434 11.961 14.127 -1.445 1.00 0.00 O ATOM 495 CB ASP A 434 9.793 15.048 -3.906 1.00 0.00 C ATOM 496 CG ASP A 434 8.684 14.113 -4.394 1.00 0.00 C ATOM 497 OD1 ASP A 434 7.974 13.571 -3.520 1.00 0.00 O ATOM 498 OD2 ASP A 434 8.571 13.962 -5.630 1.00 0.00 O ATOM 0 H ASP A 434 11.475 16.559 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 434 9.003 15.030 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.581 16.056 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.734 14.740 -4.361 1.00 0.00 H new ATOM 503 N VAL A 435 10.386 12.724 -2.259 1.00 0.00 N ATOM 504 CA VAL A 435 11.130 11.520 -1.930 1.00 0.00 C ATOM 505 C VAL A 435 11.439 10.749 -3.216 1.00 0.00 C ATOM 506 O VAL A 435 10.532 10.420 -3.979 1.00 0.00 O ATOM 507 CB VAL A 435 10.354 10.688 -0.907 1.00 0.00 C ATOM 508 CG1 VAL A 435 11.102 9.396 -0.570 1.00 0.00 C ATOM 509 CG2 VAL A 435 10.068 11.502 0.357 1.00 0.00 C ATOM 0 H VAL A 435 9.484 12.559 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 435 12.083 11.775 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 435 9.398 10.414 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 435 10.529 8.823 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 435 11.231 8.804 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 435 12.079 9.640 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 435 9.515 10.888 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 435 11.009 11.819 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 435 9.475 12.379 0.098 1.00 0.00 H new ATOM 519 N VAL A 436 12.721 10.485 -3.415 1.00 0.00 N ATOM 520 CA VAL A 436 13.161 9.759 -4.595 1.00 0.00 C ATOM 521 C VAL A 436 14.240 8.751 -4.196 1.00 0.00 C ATOM 522 O VAL A 436 15.171 9.088 -3.466 1.00 0.00 O ATOM 523 CB VAL A 436 13.630 10.743 -5.669 1.00 0.00 C ATOM 524 CG1 VAL A 436 14.566 10.059 -6.668 1.00 0.00 C ATOM 525 CG2 VAL A 436 12.439 11.383 -6.385 1.00 0.00 C ATOM 0 H VAL A 436 13.470 10.760 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 436 12.334 9.195 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 436 14.189 11.537 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 436 14.885 10.780 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 436 15.439 9.673 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 436 14.041 9.236 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 436 12.801 12.078 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 436 11.840 10.606 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 436 11.826 11.921 -5.662 1.00 0.00 H new ATOM 535 N LEU A 437 14.079 7.533 -4.692 1.00 0.00 N ATOM 536 CA LEU A 437 15.028 6.473 -4.396 1.00 0.00 C ATOM 537 C LEU A 437 15.912 6.230 -5.620 1.00 0.00 C ATOM 538 O LEU A 437 15.409 6.027 -6.724 1.00 0.00 O ATOM 539 CB LEU A 437 14.297 5.221 -3.907 1.00 0.00 C ATOM 540 CG LEU A 437 12.769 5.305 -3.875 1.00 0.00 C ATOM 541 CD1 LEU A 437 12.154 3.959 -3.488 1.00 0.00 C ATOM 542 CD2 LEU A 437 12.302 6.435 -2.955 1.00 0.00 C ATOM 0 H LEU A 437 13.306 7.257 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 437 15.687 6.768 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 437 14.582 4.385 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 437 14.649 4.988 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 437 12.418 5.542 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 437 11.068 4.046 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 437 12.447 3.202 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 437 12.509 3.668 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 437 11.213 6.473 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 437 12.663 6.253 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 437 12.697 7.385 -3.316 1.00 0.00 H new ATOM 554 N VAL A 438 17.216 6.257 -5.384 1.00 0.00 N ATOM 555 CA VAL A 438 18.175 6.043 -6.453 1.00 0.00 C ATOM 556 C VAL A 438 18.236 4.550 -6.786 1.00 0.00 C ATOM 557 O VAL A 438 18.549 3.731 -5.923 1.00 0.00 O ATOM 558 CB VAL A 438 19.535 6.624 -6.061 1.00 0.00 C ATOM 559 CG1 VAL A 438 20.615 6.220 -7.067 1.00 0.00 C ATOM 560 CG2 VAL A 438 19.460 8.145 -5.918 1.00 0.00 C ATOM 0 H VAL A 438 17.630 6.424 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 438 17.862 6.566 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 438 19.810 6.209 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 438 21.572 6.646 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 438 20.695 5.133 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 438 20.348 6.592 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 438 20.440 8.533 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 438 19.152 8.585 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 438 18.734 8.403 -5.146 1.00 0.00 H new ATOM 570 N ILE A 439 17.933 4.243 -8.038 1.00 0.00 N ATOM 571 CA ILE A 439 17.950 2.864 -8.495 1.00 0.00 C ATOM 572 C ILE A 439 18.779 2.766 -9.777 1.00 0.00 C ATOM 573 O ILE A 439 18.901 3.740 -10.518 1.00 0.00 O ATOM 574 CB ILE A 439 16.523 2.331 -8.643 1.00 0.00 C ATOM 575 CG1 ILE A 439 15.800 3.017 -9.804 1.00 0.00 C ATOM 576 CG2 ILE A 439 15.750 2.461 -7.329 1.00 0.00 C ATOM 577 CD1 ILE A 439 14.961 4.196 -9.307 1.00 0.00 C ATOM 0 H ILE A 439 17.674 4.925 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 439 18.430 2.223 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 439 16.578 1.269 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 439 16.529 3.367 -10.535 1.00 0.00 H new ATOM 0 HG13 ILE A 439 15.158 2.298 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 439 14.739 2.075 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 439 16.257 1.891 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 439 15.702 3.510 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 439 14.458 4.666 -10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 439 14.217 3.839 -8.595 1.00 0.00 H new ATOM 0 HD13 ILE A 439 15.609 4.924 -8.820 1.00 0.00 H new ATOM 589 N PRO A 440 19.342 1.549 -10.006 1.00 0.00 N ATOM 590 CA PRO A 440 20.156 1.311 -11.186 1.00 0.00 C ATOM 591 C PRO A 440 19.284 1.181 -12.437 1.00 0.00 C ATOM 592 O PRO A 440 18.473 0.263 -12.539 1.00 0.00 O ATOM 593 CB PRO A 440 20.940 0.046 -10.874 1.00 0.00 C ATOM 594 CG PRO A 440 20.199 -0.633 -9.734 1.00 0.00 C ATOM 595 CD PRO A 440 19.219 0.372 -9.151 1.00 0.00 C ATOM 0 HA PRO A 440 20.831 2.138 -11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 440 20.995 -0.605 -11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 440 21.965 0.282 -10.588 1.00 0.00 H new ATOM 0 HG2 PRO A 440 19.671 -1.516 -10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 440 20.900 -0.970 -8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 440 18.201 -0.018 -9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 440 19.463 0.608 -8.115 1.00 0.00 H new ATOM 603 N PHE A 441 19.482 2.114 -13.356 1.00 0.00 N ATOM 604 CA PHE A 441 18.724 2.116 -14.596 1.00 0.00 C ATOM 605 C PHE A 441 18.964 0.829 -15.387 1.00 0.00 C ATOM 606 O PHE A 441 19.601 -0.100 -14.891 1.00 0.00 O ATOM 607 CB PHE A 441 19.218 3.307 -15.420 1.00 0.00 C ATOM 608 CG PHE A 441 20.720 3.568 -15.299 1.00 0.00 C ATOM 609 CD1 PHE A 441 21.575 2.532 -15.084 1.00 0.00 C ATOM 610 CD2 PHE A 441 21.201 4.835 -15.405 1.00 0.00 C ATOM 611 CE1 PHE A 441 22.970 2.774 -14.971 1.00 0.00 C ATOM 612 CE2 PHE A 441 22.596 5.078 -15.292 1.00 0.00 C ATOM 613 CZ PHE A 441 23.451 4.042 -15.077 1.00 0.00 C ATOM 0 H PHE A 441 20.156 2.874 -13.267 1.00 0.00 H new ATOM 0 HA PHE A 441 17.658 2.185 -14.380 1.00 0.00 H new ATOM 0 HB2 PHE A 441 18.973 3.137 -16.468 1.00 0.00 H new ATOM 0 HB3 PHE A 441 18.678 4.201 -15.107 1.00 0.00 H new ATOM 0 HD1 PHE A 441 21.193 1.525 -14.999 1.00 0.00 H new ATOM 0 HD2 PHE A 441 20.522 5.657 -15.575 1.00 0.00 H new ATOM 0 HE1 PHE A 441 23.649 1.951 -14.801 1.00 0.00 H new ATOM 0 HE2 PHE A 441 22.978 6.085 -15.377 1.00 0.00 H new ATOM 0 HZ PHE A 441 24.512 4.226 -14.990 1.00 0.00 H new ATOM 623 N GLN A 442 18.442 0.814 -16.604 1.00 0.00 N ATOM 624 CA GLN A 442 18.591 -0.344 -17.469 1.00 0.00 C ATOM 625 C GLN A 442 19.925 -0.280 -18.216 1.00 0.00 C ATOM 626 O GLN A 442 20.484 -1.312 -18.585 1.00 0.00 O ATOM 627 CB GLN A 442 17.420 -0.453 -18.447 1.00 0.00 C ATOM 628 CG GLN A 442 17.378 0.752 -19.389 1.00 0.00 C ATOM 629 CD GLN A 442 16.269 0.595 -20.431 1.00 0.00 C ATOM 630 OE1 GLN A 442 16.368 -0.180 -21.369 1.00 0.00 O ATOM 631 NE2 GLN A 442 15.210 1.371 -20.216 1.00 0.00 N ATOM 0 H GLN A 442 17.915 1.586 -17.012 1.00 0.00 H new ATOM 0 HA GLN A 442 18.587 -1.240 -16.848 1.00 0.00 H new ATOM 0 HB2 GLN A 442 17.511 -1.370 -19.028 1.00 0.00 H new ATOM 0 HB3 GLN A 442 16.484 -0.519 -17.893 1.00 0.00 H new ATOM 0 HG2 GLN A 442 17.214 1.663 -18.813 1.00 0.00 H new ATOM 0 HG3 GLN A 442 18.340 0.860 -19.890 1.00 0.00 H new ATOM 0 HE21 GLN A 442 15.192 1.997 -19.411 1.00 0.00 H new ATOM 0 HE22 GLN A 442 14.416 1.340 -20.856 1.00 0.00 H new ATOM 640 N ASN A 443 20.397 0.942 -18.416 1.00 0.00 N ATOM 641 CA ASN A 443 21.654 1.153 -19.113 1.00 0.00 C ATOM 642 C ASN A 443 22.139 2.582 -18.858 1.00 0.00 C ATOM 643 O ASN A 443 21.332 3.499 -18.716 1.00 0.00 O ATOM 644 CB ASN A 443 21.485 0.974 -20.623 1.00 0.00 C ATOM 645 CG ASN A 443 22.206 -0.284 -21.110 1.00 0.00 C ATOM 646 OD1 ASN A 443 21.917 -1.396 -20.698 1.00 0.00 O ATOM 647 ND2 ASN A 443 23.160 -0.049 -22.006 1.00 0.00 N ATOM 0 H ASN A 443 19.932 1.796 -18.108 1.00 0.00 H new ATOM 0 HA ASN A 443 22.372 0.421 -18.742 1.00 0.00 H new ATOM 0 HB2 ASN A 443 20.425 0.908 -20.869 1.00 0.00 H new ATOM 0 HB3 ASN A 443 21.879 1.847 -21.143 1.00 0.00 H new ATOM 0 HD21 ASN A 443 23.700 -0.824 -22.391 1.00 0.00 H new ATOM 0 HD22 ASN A 443 23.351 0.906 -22.308 1.00 0.00 H new ATOM 654 N PRO A 444 23.490 2.730 -18.806 1.00 0.00 N ATOM 655 CA PRO A 444 24.092 4.032 -18.571 1.00 0.00 C ATOM 656 C PRO A 444 24.009 4.908 -19.822 1.00 0.00 C ATOM 657 O PRO A 444 24.190 6.122 -19.747 1.00 0.00 O ATOM 658 CB PRO A 444 25.521 3.733 -18.148 1.00 0.00 C ATOM 659 CG PRO A 444 25.804 2.313 -18.609 1.00 0.00 C ATOM 660 CD PRO A 444 24.477 1.666 -18.970 1.00 0.00 C ATOM 0 HA PRO A 444 23.574 4.603 -17.801 1.00 0.00 H new ATOM 0 HB2 PRO A 444 26.218 4.437 -18.602 1.00 0.00 H new ATOM 0 HB3 PRO A 444 25.635 3.823 -17.068 1.00 0.00 H new ATOM 0 HG2 PRO A 444 26.473 2.317 -19.470 1.00 0.00 H new ATOM 0 HG3 PRO A 444 26.302 1.748 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 444 24.486 1.288 -19.992 1.00 0.00 H new ATOM 0 HD3 PRO A 444 24.259 0.819 -18.319 1.00 0.00 H new ATOM 668 N GLU A 445 23.735 4.258 -20.944 1.00 0.00 N ATOM 669 CA GLU A 445 23.626 4.963 -22.210 1.00 0.00 C ATOM 670 C GLU A 445 22.351 5.808 -22.239 1.00 0.00 C ATOM 671 O GLU A 445 22.266 6.786 -22.980 1.00 0.00 O ATOM 672 CB GLU A 445 23.664 3.987 -23.387 1.00 0.00 C ATOM 673 CG GLU A 445 22.308 3.304 -23.576 1.00 0.00 C ATOM 674 CD GLU A 445 21.606 3.818 -24.835 1.00 0.00 C ATOM 675 OE1 GLU A 445 21.702 5.040 -25.079 1.00 0.00 O ATOM 676 OE2 GLU A 445 20.989 2.977 -25.524 1.00 0.00 O ATOM 0 H GLU A 445 23.585 3.251 -21.002 1.00 0.00 H new ATOM 0 HA GLU A 445 24.483 5.630 -22.307 1.00 0.00 H new ATOM 0 HB2 GLU A 445 23.937 4.520 -24.298 1.00 0.00 H new ATOM 0 HB3 GLU A 445 24.434 3.234 -23.216 1.00 0.00 H new ATOM 0 HG2 GLU A 445 22.447 2.225 -23.647 1.00 0.00 H new ATOM 0 HG3 GLU A 445 21.680 3.487 -22.704 1.00 0.00 H new ATOM 683 N GLU A 446 21.389 5.399 -21.424 1.00 0.00 N ATOM 684 CA GLU A 446 20.122 6.106 -21.346 1.00 0.00 C ATOM 685 C GLU A 446 20.191 7.205 -20.285 1.00 0.00 C ATOM 686 O GLU A 446 19.352 8.104 -20.261 1.00 0.00 O ATOM 687 CB GLU A 446 18.972 5.139 -21.061 1.00 0.00 C ATOM 688 CG GLU A 446 18.877 4.064 -22.145 1.00 0.00 C ATOM 689 CD GLU A 446 17.636 4.271 -23.016 1.00 0.00 C ATOM 690 OE1 GLU A 446 17.387 5.441 -23.379 1.00 0.00 O ATOM 691 OE2 GLU A 446 16.964 3.255 -23.298 1.00 0.00 O ATOM 0 H GLU A 446 21.462 4.586 -20.812 1.00 0.00 H new ATOM 0 HA GLU A 446 19.929 6.574 -22.312 1.00 0.00 H new ATOM 0 HB2 GLU A 446 19.121 4.668 -20.089 1.00 0.00 H new ATOM 0 HB3 GLU A 446 18.033 5.691 -21.008 1.00 0.00 H new ATOM 0 HG2 GLU A 446 19.771 4.091 -22.768 1.00 0.00 H new ATOM 0 HG3 GLU A 446 18.840 3.078 -21.682 1.00 0.00 H new ATOM 698 N GLN A 447 21.200 7.097 -19.432 1.00 0.00 N ATOM 699 CA GLN A 447 21.389 8.071 -18.370 1.00 0.00 C ATOM 700 C GLN A 447 22.101 9.313 -18.910 1.00 0.00 C ATOM 701 O GLN A 447 22.881 9.224 -19.857 1.00 0.00 O ATOM 702 CB GLN A 447 22.163 7.462 -17.199 1.00 0.00 C ATOM 703 CG GLN A 447 21.957 8.279 -15.922 1.00 0.00 C ATOM 704 CD GLN A 447 23.296 8.753 -15.353 1.00 0.00 C ATOM 705 OE1 GLN A 447 24.362 8.336 -15.775 1.00 0.00 O ATOM 706 NE2 GLN A 447 23.182 9.646 -14.374 1.00 0.00 N ATOM 0 H GLN A 447 21.895 6.350 -19.455 1.00 0.00 H new ATOM 0 HA GLN A 447 20.409 8.370 -17.999 1.00 0.00 H new ATOM 0 HB2 GLN A 447 21.834 6.436 -17.035 1.00 0.00 H new ATOM 0 HB3 GLN A 447 23.225 7.422 -17.442 1.00 0.00 H new ATOM 0 HG2 GLN A 447 21.323 9.140 -16.135 1.00 0.00 H new ATOM 0 HG3 GLN A 447 21.436 7.675 -15.180 1.00 0.00 H new ATOM 0 HE21 GLN A 447 22.258 9.953 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 447 24.018 10.024 -13.929 1.00 0.00 H new ATOM 715 N ASP A 448 21.807 10.443 -18.284 1.00 0.00 N ATOM 716 CA ASP A 448 22.410 11.702 -18.690 1.00 0.00 C ATOM 717 C ASP A 448 23.292 12.229 -17.556 1.00 0.00 C ATOM 718 O ASP A 448 23.183 11.776 -16.418 1.00 0.00 O ATOM 719 CB ASP A 448 21.339 12.755 -18.984 1.00 0.00 C ATOM 720 CG ASP A 448 21.811 13.936 -19.835 1.00 0.00 C ATOM 721 OD1 ASP A 448 22.949 13.850 -20.344 1.00 0.00 O ATOM 722 OD2 ASP A 448 21.022 14.898 -19.958 1.00 0.00 O ATOM 0 H ASP A 448 21.160 10.513 -17.499 1.00 0.00 H new ATOM 0 HA ASP A 448 22.996 11.521 -19.591 1.00 0.00 H new ATOM 0 HB2 ASP A 448 20.505 12.271 -19.492 1.00 0.00 H new ATOM 0 HB3 ASP A 448 20.958 13.138 -18.037 1.00 0.00 H new ATOM 727 N GLU A 449 24.146 13.179 -17.907 1.00 0.00 N ATOM 728 CA GLU A 449 25.047 13.772 -16.934 1.00 0.00 C ATOM 729 C GLU A 449 24.298 14.786 -16.066 1.00 0.00 C ATOM 730 O GLU A 449 23.815 15.800 -16.567 1.00 0.00 O ATOM 731 CB GLU A 449 26.248 14.423 -17.623 1.00 0.00 C ATOM 732 CG GLU A 449 27.545 13.692 -17.270 1.00 0.00 C ATOM 733 CD GLU A 449 28.514 13.691 -18.454 1.00 0.00 C ATOM 734 OE1 GLU A 449 28.306 12.852 -19.357 1.00 0.00 O ATOM 735 OE2 GLU A 449 29.440 14.530 -18.430 1.00 0.00 O ATOM 0 H GLU A 449 24.233 13.553 -18.852 1.00 0.00 H new ATOM 0 HA GLU A 449 25.426 12.979 -16.289 1.00 0.00 H new ATOM 0 HB2 GLU A 449 26.102 14.412 -18.703 1.00 0.00 H new ATOM 0 HB3 GLU A 449 26.322 15.468 -17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 449 28.015 14.172 -16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 449 27.321 12.666 -16.978 1.00 0.00 H new ATOM 742 N GLY A 450 24.224 14.475 -14.780 1.00 0.00 N ATOM 743 CA GLY A 450 23.542 15.346 -13.838 1.00 0.00 C ATOM 744 C GLY A 450 22.157 14.798 -13.489 1.00 0.00 C ATOM 745 O GLY A 450 21.548 15.219 -12.507 1.00 0.00 O ATOM 0 H GLY A 450 24.625 13.632 -14.369 1.00 0.00 H new ATOM 0 HA2 GLY A 450 24.138 15.444 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 450 23.445 16.344 -14.265 1.00 0.00 H new ATOM 749 N TRP A 451 21.699 13.867 -14.313 1.00 0.00 N ATOM 750 CA TRP A 451 20.397 13.257 -14.104 1.00 0.00 C ATOM 751 C TRP A 451 20.581 11.738 -14.106 1.00 0.00 C ATOM 752 O TRP A 451 21.311 11.198 -14.936 1.00 0.00 O ATOM 753 CB TRP A 451 19.391 13.738 -15.151 1.00 0.00 C ATOM 754 CG TRP A 451 19.565 15.204 -15.553 1.00 0.00 C ATOM 755 CD1 TRP A 451 20.679 15.817 -15.976 1.00 0.00 C ATOM 756 CD2 TRP A 451 18.543 16.223 -15.552 1.00 0.00 C ATOM 757 NE1 TRP A 451 20.450 17.151 -16.247 1.00 0.00 N ATOM 758 CE2 TRP A 451 19.110 17.405 -15.981 1.00 0.00 C ATOM 759 CE3 TRP A 451 17.183 16.148 -15.201 1.00 0.00 C ATOM 760 CZ2 TRP A 451 18.392 18.602 -16.099 1.00 0.00 C ATOM 761 CZ3 TRP A 451 16.480 17.352 -15.324 1.00 0.00 C ATOM 762 CH2 TRP A 451 17.036 18.551 -15.754 1.00 0.00 C ATOM 0 H TRP A 451 22.207 13.520 -15.127 1.00 0.00 H new ATOM 0 HA TRP A 451 19.981 13.557 -13.142 1.00 0.00 H new ATOM 0 HB2 TRP A 451 19.482 13.115 -16.041 1.00 0.00 H new ATOM 0 HB3 TRP A 451 18.382 13.595 -14.763 1.00 0.00 H new ATOM 0 HD1 TRP A 451 21.636 15.329 -16.090 1.00 0.00 H new ATOM 0 HE1 TRP A 451 21.138 17.826 -16.581 1.00 0.00 H new ATOM 0 HE3 TRP A 451 16.718 15.234 -14.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 18.859 19.515 -16.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 15.431 17.349 -15.067 1.00 0.00 H new ATOM 0 HH2 TRP A 451 16.425 19.439 -15.822 1.00 0.00 H new ATOM 773 N LEU A 452 19.906 11.091 -13.167 1.00 0.00 N ATOM 774 CA LEU A 452 19.986 9.645 -13.050 1.00 0.00 C ATOM 775 C LEU A 452 18.573 9.067 -12.948 1.00 0.00 C ATOM 776 O LEU A 452 17.600 9.812 -12.838 1.00 0.00 O ATOM 777 CB LEU A 452 20.896 9.251 -11.885 1.00 0.00 C ATOM 778 CG LEU A 452 21.170 10.343 -10.848 1.00 0.00 C ATOM 779 CD1 LEU A 452 19.917 10.641 -10.022 1.00 0.00 C ATOM 780 CD2 LEU A 452 22.364 9.974 -9.966 1.00 0.00 C ATOM 0 H LEU A 452 19.301 11.542 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 452 20.444 9.216 -13.941 1.00 0.00 H new ATOM 0 HB2 LEU A 452 20.451 8.397 -11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 452 21.850 8.917 -12.292 1.00 0.00 H new ATOM 0 HG LEU A 452 21.432 11.259 -11.377 1.00 0.00 H new ATOM 0 HD11 LEU A 452 20.139 11.420 -9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 452 19.118 10.978 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 452 19.600 9.737 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 452 22.537 10.767 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 452 22.156 9.040 -9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 452 23.251 9.852 -10.587 1.00 0.00 H new ATOM 792 N MET A 453 18.504 7.744 -12.989 1.00 0.00 N ATOM 793 CA MET A 453 17.226 7.058 -12.903 1.00 0.00 C ATOM 794 C MET A 453 16.852 6.776 -11.447 1.00 0.00 C ATOM 795 O MET A 453 17.515 5.989 -10.773 1.00 0.00 O ATOM 796 CB MET A 453 17.302 5.739 -13.676 1.00 0.00 C ATOM 797 CG MET A 453 16.132 4.823 -13.312 1.00 0.00 C ATOM 798 SD MET A 453 15.348 4.217 -14.796 1.00 0.00 S ATOM 799 CE MET A 453 14.757 5.754 -15.485 1.00 0.00 C ATOM 0 H MET A 453 19.313 7.129 -13.081 1.00 0.00 H new ATOM 0 HA MET A 453 16.460 7.700 -13.337 1.00 0.00 H new ATOM 0 HB2 MET A 453 17.292 5.940 -14.747 1.00 0.00 H new ATOM 0 HB3 MET A 453 18.244 5.237 -13.455 1.00 0.00 H new ATOM 0 HG2 MET A 453 16.488 3.986 -12.711 1.00 0.00 H new ATOM 0 HG3 MET A 453 15.409 5.367 -12.705 1.00 0.00 H new ATOM 0 HE1 MET A 453 14.734 5.680 -16.572 1.00 0.00 H new ATOM 0 HE2 MET A 453 13.753 5.957 -15.113 1.00 0.00 H new ATOM 0 HE3 MET A 453 15.423 6.565 -15.191 1.00 0.00 H new ATOM 809 N GLY A 454 15.791 7.434 -11.004 1.00 0.00 N ATOM 810 CA GLY A 454 15.320 7.264 -9.640 1.00 0.00 C ATOM 811 C GLY A 454 13.812 7.012 -9.608 1.00 0.00 C ATOM 812 O GLY A 454 13.138 7.122 -10.631 1.00 0.00 O ATOM 0 H GLY A 454 15.244 8.086 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 454 15.842 6.429 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 454 15.556 8.154 -9.056 1.00 0.00 H new ATOM 816 N VAL A 455 13.325 6.679 -8.421 1.00 0.00 N ATOM 817 CA VAL A 455 11.908 6.410 -8.242 1.00 0.00 C ATOM 818 C VAL A 455 11.389 7.211 -7.046 1.00 0.00 C ATOM 819 O VAL A 455 12.072 7.329 -6.030 1.00 0.00 O ATOM 820 CB VAL A 455 11.675 4.905 -8.100 1.00 0.00 C ATOM 821 CG1 VAL A 455 12.497 4.329 -6.945 1.00 0.00 C ATOM 822 CG2 VAL A 455 10.187 4.595 -7.923 1.00 0.00 C ATOM 0 H VAL A 455 13.886 6.589 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 455 11.344 6.731 -9.118 1.00 0.00 H new ATOM 0 HB VAL A 455 12.010 4.426 -9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 455 12.313 3.258 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 455 13.557 4.502 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 455 12.208 4.816 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.049 3.518 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.816 5.092 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 455 9.635 4.954 -8.792 1.00 0.00 H new ATOM 832 N LYS A 456 10.185 7.740 -7.207 1.00 0.00 N ATOM 833 CA LYS A 456 9.566 8.526 -6.154 1.00 0.00 C ATOM 834 C LYS A 456 8.981 7.586 -5.098 1.00 0.00 C ATOM 835 O LYS A 456 8.778 6.401 -5.361 1.00 0.00 O ATOM 836 CB LYS A 456 8.545 9.502 -6.742 1.00 0.00 C ATOM 837 CG LYS A 456 9.159 10.890 -6.931 1.00 0.00 C ATOM 838 CD LYS A 456 8.164 11.843 -7.597 1.00 0.00 C ATOM 839 CE LYS A 456 7.977 11.494 -9.075 1.00 0.00 C ATOM 840 NZ LYS A 456 6.715 12.073 -9.588 1.00 0.00 N ATOM 0 H LYS A 456 9.622 7.639 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 456 10.311 9.144 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 456 8.187 9.125 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.680 9.570 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 456 9.462 11.292 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 456 10.059 10.814 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 456 7.204 11.790 -7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 456 8.520 12.869 -7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 456 8.820 11.873 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 456 7.965 10.411 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 6.652 11.914 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 5.907 11.617 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 6.698 13.095 -9.394 1.00 0.00 H new ATOM 854 N GLU A 457 8.726 8.149 -3.926 1.00 0.00 N ATOM 855 CA GLU A 457 8.168 7.375 -2.830 1.00 0.00 C ATOM 856 C GLU A 457 6.838 6.744 -3.249 1.00 0.00 C ATOM 857 O GLU A 457 6.573 5.583 -2.939 1.00 0.00 O ATOM 858 CB GLU A 457 7.994 8.241 -1.581 1.00 0.00 C ATOM 859 CG GLU A 457 7.148 7.521 -0.528 1.00 0.00 C ATOM 860 CD GLU A 457 7.593 7.901 0.886 1.00 0.00 C ATOM 861 OE1 GLU A 457 7.120 8.954 1.366 1.00 0.00 O ATOM 862 OE2 GLU A 457 8.396 7.130 1.454 1.00 0.00 O ATOM 0 H GLU A 457 8.895 9.132 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 457 8.866 6.575 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 457 8.971 8.484 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 457 7.519 9.184 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 457 6.097 7.777 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 457 7.234 6.443 -0.663 1.00 0.00 H new ATOM 869 N SER A 458 6.037 7.536 -3.947 1.00 0.00 N ATOM 870 CA SER A 458 4.742 7.069 -4.411 1.00 0.00 C ATOM 871 C SER A 458 4.925 5.919 -5.404 1.00 0.00 C ATOM 872 O SER A 458 4.244 4.899 -5.311 1.00 0.00 O ATOM 873 CB SER A 458 3.946 8.205 -5.056 1.00 0.00 C ATOM 874 OG SER A 458 2.631 8.308 -4.516 1.00 0.00 O ATOM 0 H SER A 458 6.260 8.498 -4.202 1.00 0.00 H new ATOM 0 HA SER A 458 4.179 6.710 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 458 4.474 9.147 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 458 3.884 8.040 -6.132 1.00 0.00 H new ATOM 0 HG SER A 458 2.155 9.046 -4.952 1.00 0.00 H new ATOM 880 N ASP A 459 5.849 6.122 -6.331 1.00 0.00 N ATOM 881 CA ASP A 459 6.131 5.115 -7.341 1.00 0.00 C ATOM 882 C ASP A 459 6.597 3.829 -6.655 1.00 0.00 C ATOM 883 O ASP A 459 6.325 2.731 -7.138 1.00 0.00 O ATOM 884 CB ASP A 459 7.242 5.578 -8.285 1.00 0.00 C ATOM 885 CG ASP A 459 6.759 6.205 -9.594 1.00 0.00 C ATOM 886 OD1 ASP A 459 5.567 6.579 -9.638 1.00 0.00 O ATOM 887 OD2 ASP A 459 7.593 6.296 -10.521 1.00 0.00 O ATOM 0 H ASP A 459 6.413 6.969 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 459 5.219 4.946 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 459 7.865 6.303 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 459 7.877 4.724 -8.521 1.00 0.00 H new ATOM 892 N TRP A 460 7.292 4.009 -5.541 1.00 0.00 N ATOM 893 CA TRP A 460 7.798 2.876 -4.785 1.00 0.00 C ATOM 894 C TRP A 460 6.631 1.922 -4.524 1.00 0.00 C ATOM 895 O TRP A 460 6.759 0.713 -4.712 1.00 0.00 O ATOM 896 CB TRP A 460 8.490 3.339 -3.502 1.00 0.00 C ATOM 897 CG TRP A 460 9.275 2.239 -2.786 1.00 0.00 C ATOM 898 CD1 TRP A 460 9.245 0.919 -3.018 1.00 0.00 C ATOM 899 CD2 TRP A 460 10.216 2.417 -1.705 1.00 0.00 C ATOM 900 NE1 TRP A 460 10.093 0.237 -2.169 1.00 0.00 N ATOM 901 CE2 TRP A 460 10.702 1.176 -1.346 1.00 0.00 C ATOM 902 CE3 TRP A 460 10.641 3.588 -1.053 1.00 0.00 C ATOM 903 CZ2 TRP A 460 11.639 0.987 -0.323 1.00 0.00 C ATOM 904 CZ3 TRP A 460 11.578 3.382 -0.034 1.00 0.00 C ATOM 905 CH2 TRP A 460 12.078 2.139 0.340 1.00 0.00 C ATOM 0 H TRP A 460 7.516 4.922 -5.144 1.00 0.00 H new ATOM 0 HA TRP A 460 8.562 2.344 -5.352 1.00 0.00 H new ATOM 0 HB2 TRP A 460 9.169 4.157 -3.743 1.00 0.00 H new ATOM 0 HB3 TRP A 460 7.739 3.738 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 460 8.634 0.448 -3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 460 10.245 -0.771 -2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 460 10.274 4.569 -1.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 12.004 0.005 -0.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 11.938 4.249 0.500 1.00 0.00 H new ATOM 0 HH2 TRP A 460 12.802 2.063 1.138 1.00 0.00 H new ATOM 1075 N ARG A 470 9.313 3.999 -14.194 1.00 0.00 N ATOM 1076 CA ARG A 470 10.656 4.540 -14.072 1.00 0.00 C ATOM 1077 C ARG A 470 10.719 5.945 -14.673 1.00 0.00 C ATOM 1078 O ARG A 470 9.947 6.276 -15.571 1.00 0.00 O ATOM 1079 CB ARG A 470 11.676 3.644 -14.778 1.00 0.00 C ATOM 1080 CG ARG A 470 11.549 2.193 -14.311 1.00 0.00 C ATOM 1081 CD ARG A 470 12.923 1.529 -14.204 1.00 0.00 C ATOM 1082 NE ARG A 470 13.020 0.409 -15.166 1.00 0.00 N ATOM 1083 CZ ARG A 470 13.220 0.564 -16.482 1.00 0.00 C ATOM 1084 NH1 ARG A 470 13.345 1.794 -17.000 1.00 0.00 N ATOM 1085 NH2 ARG A 470 13.294 -0.510 -17.280 1.00 0.00 N ATOM 0 HA ARG A 470 10.901 4.584 -13.011 1.00 0.00 H new ATOM 0 HB2 ARG A 470 11.526 3.697 -15.856 1.00 0.00 H new ATOM 0 HB3 ARG A 470 12.684 4.007 -14.578 1.00 0.00 H new ATOM 0 HG2 ARG A 470 11.050 2.161 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 470 10.925 1.636 -15.010 1.00 0.00 H new ATOM 0 HD2 ARG A 470 13.706 2.260 -14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 470 13.081 1.163 -13.190 1.00 0.00 H new ATOM 0 HE ARG A 470 12.929 -0.541 -14.805 1.00 0.00 H new ATOM 0 HH11 ARG A 470 13.288 2.611 -16.393 1.00 0.00 H new ATOM 0 HH12 ARG A 470 13.497 1.913 -18.002 1.00 0.00 H new ATOM 0 HH21 ARG A 470 13.198 -1.446 -16.886 1.00 0.00 H new ATOM 0 HH22 ARG A 470 13.446 -0.392 -18.282 1.00 0.00 H new ATOM 1099 N GLY A 471 11.647 6.735 -14.152 1.00 0.00 N ATOM 1100 CA GLY A 471 11.821 8.098 -14.626 1.00 0.00 C ATOM 1101 C GLY A 471 13.251 8.584 -14.383 1.00 0.00 C ATOM 1102 O GLY A 471 14.081 7.845 -13.856 1.00 0.00 O ATOM 0 H GLY A 471 12.286 6.457 -13.407 1.00 0.00 H new ATOM 0 HA2 GLY A 471 11.592 8.149 -15.690 1.00 0.00 H new ATOM 0 HA3 GLY A 471 11.118 8.757 -14.117 1.00 0.00 H new ATOM 1106 N VAL A 472 13.496 9.825 -14.778 1.00 0.00 N ATOM 1107 CA VAL A 472 14.811 10.419 -14.610 1.00 0.00 C ATOM 1108 C VAL A 472 14.674 11.749 -13.866 1.00 0.00 C ATOM 1109 O VAL A 472 13.646 12.417 -13.965 1.00 0.00 O ATOM 1110 CB VAL A 472 15.498 10.563 -15.969 1.00 0.00 C ATOM 1111 CG1 VAL A 472 16.541 11.682 -15.941 1.00 0.00 C ATOM 1112 CG2 VAL A 472 16.127 9.239 -16.408 1.00 0.00 C ATOM 0 H VAL A 472 12.805 10.436 -15.214 1.00 0.00 H new ATOM 0 HA VAL A 472 15.447 9.772 -14.006 1.00 0.00 H new ATOM 0 HB VAL A 472 14.737 10.833 -16.702 1.00 0.00 H new ATOM 0 HG11 VAL A 472 17.014 11.763 -16.920 1.00 0.00 H new ATOM 0 HG12 VAL A 472 16.055 12.626 -15.694 1.00 0.00 H new ATOM 0 HG13 VAL A 472 17.298 11.455 -15.190 1.00 0.00 H new ATOM 0 HG21 VAL A 472 16.609 9.369 -17.377 1.00 0.00 H new ATOM 0 HG22 VAL A 472 16.869 8.927 -15.673 1.00 0.00 H new ATOM 0 HG23 VAL A 472 15.352 8.477 -16.487 1.00 0.00 H new ATOM 1122 N PHE A 473 15.725 12.093 -13.136 1.00 0.00 N ATOM 1123 CA PHE A 473 15.735 13.331 -12.376 1.00 0.00 C ATOM 1124 C PHE A 473 17.167 13.787 -12.089 1.00 0.00 C ATOM 1125 O PHE A 473 18.070 12.962 -11.953 1.00 0.00 O ATOM 1126 CB PHE A 473 15.028 13.047 -11.049 1.00 0.00 C ATOM 1127 CG PHE A 473 15.863 12.229 -10.061 1.00 0.00 C ATOM 1128 CD1 PHE A 473 16.163 10.931 -10.335 1.00 0.00 C ATOM 1129 CD2 PHE A 473 16.306 12.801 -8.909 1.00 0.00 C ATOM 1130 CE1 PHE A 473 16.938 10.173 -9.419 1.00 0.00 C ATOM 1131 CE2 PHE A 473 17.081 12.042 -7.993 1.00 0.00 C ATOM 1132 CZ PHE A 473 17.380 10.744 -8.267 1.00 0.00 C ATOM 0 H PHE A 473 16.575 11.536 -13.055 1.00 0.00 H new ATOM 0 HA PHE A 473 15.238 14.119 -12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 473 14.758 13.995 -10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 473 14.098 12.515 -11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 473 15.811 10.477 -11.250 1.00 0.00 H new ATOM 0 HD2 PHE A 473 16.068 13.832 -8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 473 17.177 9.143 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 473 17.433 12.496 -7.078 1.00 0.00 H new ATOM 0 HZ PHE A 473 17.969 10.167 -7.569 1.00 0.00 H new ATOM 1142 N PRO A 474 17.335 15.134 -12.003 1.00 0.00 N ATOM 1143 CA PRO A 474 18.642 15.709 -11.735 1.00 0.00 C ATOM 1144 C PRO A 474 19.028 15.532 -10.265 1.00 0.00 C ATOM 1145 O PRO A 474 18.379 16.085 -9.378 1.00 0.00 O ATOM 1146 CB PRO A 474 18.522 17.168 -12.146 1.00 0.00 C ATOM 1147 CG PRO A 474 17.032 17.466 -12.190 1.00 0.00 C ATOM 1148 CD PRO A 474 16.289 16.141 -12.158 1.00 0.00 C ATOM 0 HA PRO A 474 19.440 15.217 -12.291 1.00 0.00 H new ATOM 0 HB2 PRO A 474 19.030 17.818 -11.433 1.00 0.00 H new ATOM 0 HB3 PRO A 474 18.984 17.339 -13.118 1.00 0.00 H new ATOM 0 HG2 PRO A 474 16.742 18.087 -11.342 1.00 0.00 H new ATOM 0 HG3 PRO A 474 16.781 18.022 -13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 474 15.579 16.105 -11.332 1.00 0.00 H new ATOM 0 HD3 PRO A 474 15.720 15.984 -13.074 1.00 0.00 H new ATOM 1156 N GLU A 475 20.083 14.759 -10.052 1.00 0.00 N ATOM 1157 CA GLU A 475 20.563 14.503 -8.705 1.00 0.00 C ATOM 1158 C GLU A 475 21.134 15.783 -8.092 1.00 0.00 C ATOM 1159 O GLU A 475 21.065 15.980 -6.880 1.00 0.00 O ATOM 1160 CB GLU A 475 21.602 13.380 -8.698 1.00 0.00 C ATOM 1161 CG GLU A 475 22.410 13.389 -7.398 1.00 0.00 C ATOM 1162 CD GLU A 475 22.641 11.966 -6.886 1.00 0.00 C ATOM 1163 OE1 GLU A 475 21.664 11.384 -6.367 1.00 0.00 O ATOM 1164 OE2 GLU A 475 23.789 11.492 -7.025 1.00 0.00 O ATOM 0 H GLU A 475 20.619 14.302 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 475 19.720 14.177 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 475 21.103 12.418 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 475 22.274 13.496 -9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 475 23.369 13.879 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 475 21.882 13.970 -6.642 1.00 0.00 H new ATOM 1171 N ASN A 476 21.686 16.620 -8.958 1.00 0.00 N ATOM 1172 CA ASN A 476 22.270 17.876 -8.517 1.00 0.00 C ATOM 1173 C ASN A 476 21.154 18.821 -8.067 1.00 0.00 C ATOM 1174 O ASN A 476 21.424 19.897 -7.535 1.00 0.00 O ATOM 1175 CB ASN A 476 23.036 18.556 -9.653 1.00 0.00 C ATOM 1176 CG ASN A 476 22.194 18.607 -10.929 1.00 0.00 C ATOM 1177 OD1 ASN A 476 22.391 17.848 -11.864 1.00 0.00 O ATOM 1178 ND2 ASN A 476 21.248 19.541 -10.916 1.00 0.00 N ATOM 0 H ASN A 476 21.741 16.453 -9.963 1.00 0.00 H new ATOM 0 HA ASN A 476 22.956 17.660 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 476 23.313 19.567 -9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 476 23.963 18.016 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 476 20.633 19.655 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 476 21.137 20.143 -10.100 1.00 0.00 H new ATOM 1185 N PHE A 477 19.924 18.386 -8.298 1.00 0.00 N ATOM 1186 CA PHE A 477 18.767 19.180 -7.923 1.00 0.00 C ATOM 1187 C PHE A 477 18.040 18.560 -6.728 1.00 0.00 C ATOM 1188 O PHE A 477 17.019 19.080 -6.280 1.00 0.00 O ATOM 1189 CB PHE A 477 17.823 19.192 -9.128 1.00 0.00 C ATOM 1190 CG PHE A 477 16.342 19.080 -8.760 1.00 0.00 C ATOM 1191 CD1 PHE A 477 15.818 17.875 -8.408 1.00 0.00 C ATOM 1192 CD2 PHE A 477 15.550 20.185 -8.784 1.00 0.00 C ATOM 1193 CE1 PHE A 477 14.444 17.771 -8.066 1.00 0.00 C ATOM 1194 CE2 PHE A 477 14.176 20.081 -8.442 1.00 0.00 C ATOM 1195 CZ PHE A 477 13.652 18.876 -8.091 1.00 0.00 C ATOM 0 H PHE A 477 19.704 17.494 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 477 19.081 20.185 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 477 17.979 20.113 -9.689 1.00 0.00 H new ATOM 0 HB3 PHE A 477 18.086 18.367 -9.790 1.00 0.00 H new ATOM 0 HD1 PHE A 477 16.447 16.997 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 477 15.966 21.142 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 477 14.028 16.814 -7.786 1.00 0.00 H new ATOM 0 HE2 PHE A 477 13.547 20.959 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 477 12.607 18.797 -7.832 1.00 0.00 H new ATOM 1205 N THR A 478 18.595 17.458 -6.245 1.00 0.00 N ATOM 1206 CA THR A 478 18.013 16.762 -5.111 1.00 0.00 C ATOM 1207 C THR A 478 19.056 16.577 -4.006 1.00 0.00 C ATOM 1208 O THR A 478 20.203 16.995 -4.155 1.00 0.00 O ATOM 1209 CB THR A 478 17.423 15.444 -5.616 1.00 0.00 C ATOM 1210 OG1 THR A 478 18.301 15.051 -6.667 1.00 0.00 O ATOM 1211 CG2 THR A 478 16.073 15.635 -6.310 1.00 0.00 C ATOM 0 H THR A 478 19.442 17.030 -6.619 1.00 0.00 H new ATOM 0 HA THR A 478 17.208 17.343 -4.661 1.00 0.00 H new ATOM 0 HB THR A 478 17.307 14.754 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 478 18.008 15.460 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 478 15.698 14.669 -6.649 1.00 0.00 H new ATOM 0 HG22 THR A 478 15.363 16.074 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 478 16.195 16.298 -7.167 1.00 0.00 H new ATOM 1219 N GLU A 479 18.619 15.950 -2.924 1.00 0.00 N ATOM 1220 CA GLU A 479 19.501 15.705 -1.795 1.00 0.00 C ATOM 1221 C GLU A 479 19.535 14.212 -1.463 1.00 0.00 C ATOM 1222 O GLU A 479 18.494 13.558 -1.420 1.00 0.00 O ATOM 1223 CB GLU A 479 19.074 16.527 -0.577 1.00 0.00 C ATOM 1224 CG GLU A 479 20.276 16.853 0.313 1.00 0.00 C ATOM 1225 CD GLU A 479 19.854 17.704 1.512 1.00 0.00 C ATOM 1226 OE1 GLU A 479 19.278 18.785 1.266 1.00 0.00 O ATOM 1227 OE2 GLU A 479 20.119 17.254 2.648 1.00 0.00 O ATOM 0 H GLU A 479 17.667 15.604 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 479 20.508 16.020 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 479 18.599 17.451 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 479 18.331 15.974 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 479 20.736 15.929 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 479 21.030 17.385 -0.268 1.00 0.00 H new ATOM 1234 N ARG A 480 20.743 13.716 -1.238 1.00 0.00 N ATOM 1235 CA ARG A 480 20.927 12.312 -0.912 1.00 0.00 C ATOM 1236 C ARG A 480 20.581 12.058 0.557 1.00 0.00 C ATOM 1237 O ARG A 480 21.099 12.734 1.445 1.00 0.00 O ATOM 1238 CB ARG A 480 22.368 11.869 -1.174 1.00 0.00 C ATOM 1239 CG ARG A 480 22.729 12.025 -2.652 1.00 0.00 C ATOM 1240 CD ARG A 480 23.566 10.840 -3.139 1.00 0.00 C ATOM 1241 NE ARG A 480 24.965 11.267 -3.363 1.00 0.00 N ATOM 1242 CZ ARG A 480 25.886 11.364 -2.394 1.00 0.00 C ATOM 1243 NH1 ARG A 480 25.561 11.064 -1.129 1.00 0.00 N ATOM 1244 NH2 ARG A 480 27.131 11.760 -2.690 1.00 0.00 N ATOM 0 H ARG A 480 21.604 14.262 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 480 20.260 11.734 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 480 23.051 12.461 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 480 22.493 10.829 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 480 21.819 12.101 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 480 23.284 12.952 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 480 23.536 10.036 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 480 23.146 10.443 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 480 25.246 11.502 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 480 24.613 10.762 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 480 26.262 11.138 -0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 480 27.378 11.988 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 480 27.832 11.834 -1.952 1.00 0.00 H new ATOM 1258 N VAL A 481 19.709 11.084 0.767 1.00 0.00 N ATOM 1259 CA VAL A 481 19.289 10.733 2.113 1.00 0.00 C ATOM 1260 C VAL A 481 19.837 9.350 2.469 1.00 0.00 C ATOM 1261 O VAL A 481 19.471 8.354 1.847 1.00 0.00 O ATOM 1262 CB VAL A 481 17.765 10.819 2.224 1.00 0.00 C ATOM 1263 CG1 VAL A 481 17.306 10.576 3.663 1.00 0.00 C ATOM 1264 CG2 VAL A 481 17.253 12.164 1.705 1.00 0.00 C ATOM 0 H VAL A 481 19.281 10.526 0.028 1.00 0.00 H new ATOM 0 HA VAL A 481 19.695 11.440 2.837 1.00 0.00 H new ATOM 0 HB VAL A 481 17.338 10.034 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 481 16.219 10.643 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 481 17.624 9.584 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 481 17.747 11.328 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 481 16.167 12.199 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 481 17.692 12.971 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 481 17.534 12.281 0.658 1.00 0.00 H new