USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 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= -2.33! (180deg=-4.68!) USER MOD Single : A 413 LYS NZ :NH3+ -164:sc= -5.97! (180deg=-6.61!) USER MOD Single : A 415 GLN :FLIP amide:sc= -1.62 F(o=-5.4!,f=-1.6) USER MOD Single : A 417 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.5!) USER MOD Single : A 418 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.26) USER MOD Single : A 420 TYR OH : rot 82:sc= 0.114 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 49:sc= 0.558 USER MOD Single : A 425 THR OG1 : rot 180:sc= 0 USER MOD Single : A 429 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.011) USER MOD Single : A 431 LYS NZ :NH3+ 161:sc= -0.0252 (180deg=-0.538) USER MOD Single : A 442 GLN : amide:sc= -0.0277 X(o=-0.028,f=-0.22) USER MOD Single : A 443 ASN :FLIP amide:sc= 0.127 F(o=-1.5,f=0.13) USER MOD Single : A 447 GLN : amide:sc= -4.94! C(o=-4.9!,f=-7.6!) USER MOD Single : A 453 MET CE :methyl 138:sc= -3.26! (180deg=-5.79!) USER MOD Single : A 456 LYS NZ :NH3+ 137:sc= -1.91! (180deg=-4.7!) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN :FLIP amide:sc= -0.456 F(o=-1.3,f=-0.46) USER MOD Single : A 478 THR OG1 : rot -152:sc= -0.494! USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 1.597 3.586 -12.277 1.00 0.00 N ATOM 83 CA PRO A 407 0.531 4.343 -12.911 1.00 0.00 C ATOM 84 C PRO A 407 0.809 4.537 -14.403 1.00 0.00 C ATOM 85 O PRO A 407 1.936 4.838 -14.794 1.00 0.00 O ATOM 86 CB PRO A 407 0.468 5.653 -12.144 1.00 0.00 C ATOM 87 CG PRO A 407 1.797 5.774 -11.416 1.00 0.00 C ATOM 88 CD PRO A 407 2.479 4.417 -11.462 1.00 0.00 C ATOM 0 HA PRO A 407 -0.429 3.829 -12.874 1.00 0.00 H new ATOM 0 HB2 PRO A 407 0.315 6.494 -12.820 1.00 0.00 H new ATOM 0 HB3 PRO A 407 -0.364 5.654 -11.440 1.00 0.00 H new ATOM 0 HG2 PRO A 407 2.423 6.532 -11.887 1.00 0.00 H new ATOM 0 HG3 PRO A 407 1.640 6.087 -10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 407 3.474 4.489 -11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 407 2.602 4.001 -10.462 1.00 0.00 H new ATOM 96 N PRO A 408 -0.265 4.351 -15.217 1.00 0.00 N ATOM 97 CA PRO A 408 -0.147 4.503 -16.657 1.00 0.00 C ATOM 98 C PRO A 408 -0.062 5.979 -17.048 1.00 0.00 C ATOM 99 O PRO A 408 -0.761 6.817 -16.479 1.00 0.00 O ATOM 100 CB PRO A 408 -1.372 3.807 -17.227 1.00 0.00 C ATOM 101 CG PRO A 408 -2.362 3.699 -16.079 1.00 0.00 C ATOM 102 CD PRO A 408 -1.614 3.994 -14.789 1.00 0.00 C ATOM 0 HA PRO A 408 0.767 4.061 -17.053 1.00 0.00 H new ATOM 0 HB2 PRO A 408 -1.795 4.376 -18.055 1.00 0.00 H new ATOM 0 HB3 PRO A 408 -1.116 2.821 -17.616 1.00 0.00 H new ATOM 0 HG2 PRO A 408 -3.182 4.404 -16.215 1.00 0.00 H new ATOM 0 HG3 PRO A 408 -2.801 2.702 -16.046 1.00 0.00 H new ATOM 0 HD2 PRO A 408 -2.083 4.808 -14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 408 -1.604 3.126 -14.130 1.00 0.00 H new ATOM 110 N GLY A 409 0.800 6.254 -18.016 1.00 0.00 N ATOM 111 CA GLY A 409 0.985 7.615 -18.490 1.00 0.00 C ATOM 112 C GLY A 409 2.072 8.331 -17.687 1.00 0.00 C ATOM 113 O GLY A 409 2.670 9.294 -18.166 1.00 0.00 O ATOM 0 H GLY A 409 1.378 5.557 -18.485 1.00 0.00 H new ATOM 0 HA2 GLY A 409 1.256 7.603 -19.546 1.00 0.00 H new ATOM 0 HA3 GLY A 409 0.046 8.163 -18.408 1.00 0.00 H new ATOM 117 N PHE A 410 2.296 7.834 -16.479 1.00 0.00 N ATOM 118 CA PHE A 410 3.301 8.415 -15.605 1.00 0.00 C ATOM 119 C PHE A 410 4.515 8.890 -16.406 1.00 0.00 C ATOM 120 O PHE A 410 4.850 8.309 -17.437 1.00 0.00 O ATOM 121 CB PHE A 410 3.742 7.315 -14.638 1.00 0.00 C ATOM 122 CG PHE A 410 5.082 7.590 -13.953 1.00 0.00 C ATOM 123 CD1 PHE A 410 5.151 8.474 -12.922 1.00 0.00 C ATOM 124 CD2 PHE A 410 6.205 6.949 -14.375 1.00 0.00 C ATOM 125 CE1 PHE A 410 6.395 8.728 -12.286 1.00 0.00 C ATOM 126 CE2 PHE A 410 7.449 7.203 -13.739 1.00 0.00 C ATOM 127 CZ PHE A 410 7.518 8.088 -12.708 1.00 0.00 C ATOM 0 H PHE A 410 1.799 7.035 -16.085 1.00 0.00 H new ATOM 0 HA PHE A 410 2.886 9.276 -15.081 1.00 0.00 H new ATOM 0 HB2 PHE A 410 2.975 7.187 -13.874 1.00 0.00 H new ATOM 0 HB3 PHE A 410 3.810 6.373 -15.182 1.00 0.00 H new ATOM 0 HD1 PHE A 410 4.259 8.983 -12.587 1.00 0.00 H new ATOM 0 HD2 PHE A 410 6.151 6.247 -15.194 1.00 0.00 H new ATOM 0 HE1 PHE A 410 6.449 9.430 -11.467 1.00 0.00 H new ATOM 0 HE2 PHE A 410 8.340 6.694 -14.074 1.00 0.00 H new ATOM 0 HZ PHE A 410 8.464 8.282 -12.225 1.00 0.00 H new ATOM 137 N MET A 411 5.142 9.943 -15.900 1.00 0.00 N ATOM 138 CA MET A 411 6.312 10.503 -16.556 1.00 0.00 C ATOM 139 C MET A 411 7.570 10.283 -15.713 1.00 0.00 C ATOM 140 O MET A 411 8.495 9.593 -16.139 1.00 0.00 O ATOM 141 CB MET A 411 6.103 12.002 -16.780 1.00 0.00 C ATOM 142 CG MET A 411 4.852 12.261 -17.623 1.00 0.00 C ATOM 143 SD MET A 411 4.857 13.942 -18.221 1.00 0.00 S ATOM 144 CE MET A 411 3.203 14.437 -17.767 1.00 0.00 C ATOM 0 H MET A 411 4.862 10.422 -15.044 1.00 0.00 H new ATOM 0 HA MET A 411 6.446 9.999 -17.513 1.00 0.00 H new ATOM 0 HB2 MET A 411 6.009 12.507 -15.819 1.00 0.00 H new ATOM 0 HB3 MET A 411 6.976 12.424 -17.278 1.00 0.00 H new ATOM 0 HG2 MET A 411 4.820 11.567 -18.463 1.00 0.00 H new ATOM 0 HG3 MET A 411 3.958 12.081 -17.026 1.00 0.00 H new ATOM 0 HE1 MET A 411 3.230 15.433 -17.326 1.00 0.00 H new ATOM 0 HE2 MET A 411 2.570 14.450 -18.655 1.00 0.00 H new ATOM 0 HE3 MET A 411 2.798 13.730 -17.043 1.00 0.00 H new ATOM 154 N PHE A 412 7.564 10.883 -14.531 1.00 0.00 N ATOM 155 CA PHE A 412 8.693 10.761 -13.625 1.00 0.00 C ATOM 156 C PHE A 412 8.324 11.243 -12.221 1.00 0.00 C ATOM 157 O PHE A 412 7.219 11.737 -12.001 1.00 0.00 O ATOM 158 CB PHE A 412 9.809 11.649 -14.179 1.00 0.00 C ATOM 159 CG PHE A 412 9.357 13.067 -14.536 1.00 0.00 C ATOM 160 CD1 PHE A 412 9.314 14.029 -13.575 1.00 0.00 C ATOM 161 CD2 PHE A 412 8.999 13.365 -15.813 1.00 0.00 C ATOM 162 CE1 PHE A 412 8.894 15.344 -13.906 1.00 0.00 C ATOM 163 CE2 PHE A 412 8.579 14.681 -16.144 1.00 0.00 C ATOM 164 CZ PHE A 412 8.536 15.643 -15.183 1.00 0.00 C ATOM 0 H PHE A 412 6.795 11.455 -14.180 1.00 0.00 H new ATOM 0 HA PHE A 412 9.001 9.718 -13.553 1.00 0.00 H new ATOM 0 HB2 PHE A 412 10.611 11.709 -13.443 1.00 0.00 H new ATOM 0 HB3 PHE A 412 10.227 11.177 -15.068 1.00 0.00 H new ATOM 0 HD1 PHE A 412 9.599 13.792 -12.561 1.00 0.00 H new ATOM 0 HD2 PHE A 412 9.034 12.601 -16.576 1.00 0.00 H new ATOM 0 HE1 PHE A 412 8.859 16.107 -13.143 1.00 0.00 H new ATOM 0 HE2 PHE A 412 8.294 14.918 -17.158 1.00 0.00 H new ATOM 0 HZ PHE A 412 8.218 16.644 -15.434 1.00 0.00 H new ATOM 174 N LYS A 413 9.270 11.084 -11.307 1.00 0.00 N ATOM 175 CA LYS A 413 9.057 11.497 -9.930 1.00 0.00 C ATOM 176 C LYS A 413 9.667 12.884 -9.719 1.00 0.00 C ATOM 177 O LYS A 413 10.688 13.216 -10.320 1.00 0.00 O ATOM 178 CB LYS A 413 9.591 10.437 -8.964 1.00 0.00 C ATOM 179 CG LYS A 413 9.032 10.647 -7.556 1.00 0.00 C ATOM 180 CD LYS A 413 10.159 10.725 -6.524 1.00 0.00 C ATOM 181 CE LYS A 413 10.351 12.161 -6.030 1.00 0.00 C ATOM 182 NZ LYS A 413 11.600 12.275 -5.245 1.00 0.00 N ATOM 0 H LYS A 413 10.186 10.675 -11.493 1.00 0.00 H new ATOM 0 HA LYS A 413 7.991 11.581 -9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 413 9.320 9.444 -9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 413 10.680 10.480 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 413 8.444 11.564 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 413 8.358 9.829 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 413 9.930 10.074 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 413 11.087 10.361 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 413 10.385 12.843 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 413 9.500 12.458 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 11.586 13.159 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 11.677 11.466 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 12.416 12.280 -5.890 1.00 0.00 H new ATOM 196 N VAL A 414 9.016 13.657 -8.862 1.00 0.00 N ATOM 197 CA VAL A 414 9.481 15.001 -8.563 1.00 0.00 C ATOM 198 C VAL A 414 9.563 15.182 -7.046 1.00 0.00 C ATOM 199 O VAL A 414 8.971 14.412 -6.293 1.00 0.00 O ATOM 200 CB VAL A 414 8.575 16.031 -9.241 1.00 0.00 C ATOM 201 CG1 VAL A 414 8.183 15.575 -10.647 1.00 0.00 C ATOM 202 CG2 VAL A 414 7.335 16.313 -8.390 1.00 0.00 C ATOM 0 H VAL A 414 8.170 13.378 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 414 10.483 15.157 -8.963 1.00 0.00 H new ATOM 0 HB VAL A 414 9.136 16.961 -9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 414 7.539 16.325 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 414 9.081 15.448 -11.252 1.00 0.00 H new ATOM 0 HG13 VAL A 414 7.649 14.627 -10.586 1.00 0.00 H new ATOM 0 HG21 VAL A 414 6.707 17.048 -8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 414 6.772 15.390 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 414 7.641 16.702 -7.419 1.00 0.00 H new ATOM 212 N GLN A 415 10.303 16.206 -6.644 1.00 0.00 N ATOM 213 CA GLN A 415 10.470 16.498 -5.231 1.00 0.00 C ATOM 214 C GLN A 415 10.127 17.962 -4.947 1.00 0.00 C ATOM 215 O GLN A 415 10.730 18.867 -5.522 1.00 0.00 O ATOM 216 CB GLN A 415 11.890 16.168 -4.767 1.00 0.00 C ATOM 217 CG GLN A 415 12.117 16.630 -3.326 1.00 0.00 C ATOM 218 CD GLN A 415 11.919 15.475 -2.342 1.00 0.00 C ATOM 219 OE1 GLN A 415 10.952 15.682 -1.453 1.00 0.00 O flip ATOM 220 NE2 GLN A 415 12.599 14.463 -2.388 1.00 0.00 N flip ATOM 0 H GLN A 415 10.793 16.843 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 415 9.783 15.868 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 415 12.060 15.094 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 415 12.613 16.650 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 415 13.125 17.031 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 415 11.427 17.439 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 415 13.326 14.369 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 415 12.441 13.711 -1.717 1.00 0.00 H new ATOM 229 N ALA A 416 9.160 18.149 -4.061 1.00 0.00 N ATOM 230 CA ALA A 416 8.730 19.488 -3.694 1.00 0.00 C ATOM 231 C ALA A 416 9.854 20.188 -2.928 1.00 0.00 C ATOM 232 O ALA A 416 10.619 19.542 -2.215 1.00 0.00 O ATOM 233 CB ALA A 416 7.435 19.404 -2.883 1.00 0.00 C ATOM 0 H ALA A 416 8.662 17.396 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 416 8.519 20.081 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 416 7.112 20.408 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 416 6.661 18.926 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 416 7.608 18.818 -1.980 1.00 0.00 H new ATOM 239 N GLN A 417 9.917 21.500 -3.102 1.00 0.00 N ATOM 240 CA GLN A 417 10.934 22.295 -2.436 1.00 0.00 C ATOM 241 C GLN A 417 10.282 23.345 -1.535 1.00 0.00 C ATOM 242 O GLN A 417 10.974 24.105 -0.859 1.00 0.00 O ATOM 243 CB GLN A 417 11.871 22.951 -3.452 1.00 0.00 C ATOM 244 CG GLN A 417 12.064 22.055 -4.678 1.00 0.00 C ATOM 245 CD GLN A 417 13.058 22.677 -5.661 1.00 0.00 C ATOM 246 OE1 GLN A 417 14.255 22.720 -5.429 1.00 0.00 O ATOM 247 NE2 GLN A 417 12.496 23.155 -6.768 1.00 0.00 N ATOM 0 H GLN A 417 9.280 22.032 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 417 11.534 21.632 -1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 417 11.462 23.913 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 417 12.836 23.150 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 417 12.423 21.075 -4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 417 11.106 21.900 -5.174 1.00 0.00 H new ATOM 0 HE21 GLN A 417 11.487 23.086 -6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 417 13.074 23.590 -7.487 1.00 0.00 H new ATOM 256 N HIS A 418 8.957 23.354 -1.554 1.00 0.00 N ATOM 257 CA HIS A 418 8.203 24.299 -0.747 1.00 0.00 C ATOM 258 C HIS A 418 6.915 23.638 -0.252 1.00 0.00 C ATOM 259 O HIS A 418 6.564 22.545 -0.695 1.00 0.00 O ATOM 260 CB HIS A 418 7.945 25.592 -1.523 1.00 0.00 C ATOM 261 CG HIS A 418 9.194 26.382 -1.833 1.00 0.00 C ATOM 262 ND1 HIS A 418 9.659 27.399 -1.018 1.00 0.00 N ATOM 263 CD2 HIS A 418 10.069 26.293 -2.875 1.00 0.00 C ATOM 264 CE1 HIS A 418 10.764 27.894 -1.556 1.00 0.00 C ATOM 265 NE2 HIS A 418 11.016 27.207 -2.707 1.00 0.00 N ATOM 0 H HIS A 418 8.386 22.722 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 418 8.786 24.580 0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 418 7.440 25.348 -2.458 1.00 0.00 H new ATOM 0 HB3 HIS A 418 7.264 26.219 -0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 418 10.002 25.596 -3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 418 11.360 28.700 -1.154 1.00 0.00 H new ATOM 0 HE2 HIS A 418 11.803 27.369 -3.335 1.00 0.00 H new ATOM 273 N ASP A 419 6.247 24.327 0.661 1.00 0.00 N ATOM 274 CA ASP A 419 5.006 23.821 1.222 1.00 0.00 C ATOM 275 C ASP A 419 3.841 24.683 0.733 1.00 0.00 C ATOM 276 O ASP A 419 3.620 25.781 1.243 1.00 0.00 O ATOM 277 CB ASP A 419 5.028 23.878 2.750 1.00 0.00 C ATOM 278 CG ASP A 419 5.046 25.288 3.344 1.00 0.00 C ATOM 279 OD1 ASP A 419 6.020 26.015 3.053 1.00 0.00 O ATOM 280 OD2 ASP A 419 4.084 25.608 4.076 1.00 0.00 O ATOM 0 H ASP A 419 6.542 25.232 1.027 1.00 0.00 H new ATOM 0 HA ASP A 419 4.889 22.786 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 419 4.153 23.351 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 419 5.906 23.339 3.106 1.00 0.00 H new ATOM 285 N TYR A 420 3.126 24.155 -0.250 1.00 0.00 N ATOM 286 CA TYR A 420 1.990 24.863 -0.813 1.00 0.00 C ATOM 287 C TYR A 420 0.684 24.116 -0.531 1.00 0.00 C ATOM 288 O TYR A 420 0.438 23.053 -1.099 1.00 0.00 O ATOM 289 CB TYR A 420 2.224 24.903 -2.324 1.00 0.00 C ATOM 290 CG TYR A 420 0.939 24.901 -3.154 1.00 0.00 C ATOM 291 CD1 TYR A 420 0.199 26.059 -3.283 1.00 0.00 C ATOM 292 CD2 TYR A 420 0.520 23.741 -3.774 1.00 0.00 C ATOM 293 CE1 TYR A 420 -1.011 26.057 -4.064 1.00 0.00 C ATOM 294 CE2 TYR A 420 -0.690 23.740 -4.555 1.00 0.00 C ATOM 295 CZ TYR A 420 -1.396 24.897 -4.661 1.00 0.00 C ATOM 296 OH TYR A 420 -2.538 24.896 -5.399 1.00 0.00 O ATOM 0 H TYR A 420 3.312 23.245 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 420 1.904 25.858 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 420 2.801 25.795 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 420 2.830 24.044 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 420 0.527 26.967 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 420 1.099 22.835 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -1.599 26.956 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -1.029 22.840 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 420 -2.348 25.243 -6.296 1.00 0.00 H new ATOM 306 N THR A 421 -0.118 24.702 0.345 1.00 0.00 N ATOM 307 CA THR A 421 -1.392 24.105 0.709 1.00 0.00 C ATOM 308 C THR A 421 -2.426 24.341 -0.394 1.00 0.00 C ATOM 309 O THR A 421 -2.819 25.478 -0.649 1.00 0.00 O ATOM 310 CB THR A 421 -1.811 24.675 2.066 1.00 0.00 C ATOM 311 OG1 THR A 421 -1.211 23.795 3.013 1.00 0.00 O ATOM 312 CG2 THR A 421 -3.312 24.532 2.323 1.00 0.00 C ATOM 0 H THR A 421 0.089 25.584 0.814 1.00 0.00 H new ATOM 0 HA THR A 421 -1.308 23.023 0.807 1.00 0.00 H new ATOM 0 HB THR A 421 -1.533 25.728 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 421 -1.430 24.092 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 421 -3.556 24.952 3.299 1.00 0.00 H new ATOM 0 HG22 THR A 421 -3.866 25.065 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 421 -3.586 23.477 2.304 1.00 0.00 H new ATOM 320 N ALA A 422 -2.836 23.247 -1.019 1.00 0.00 N ATOM 321 CA ALA A 422 -3.816 23.320 -2.089 1.00 0.00 C ATOM 322 C ALA A 422 -5.115 22.654 -1.631 1.00 0.00 C ATOM 323 O ALA A 422 -5.140 21.454 -1.362 1.00 0.00 O ATOM 324 CB ALA A 422 -3.243 22.674 -3.352 1.00 0.00 C ATOM 0 H ALA A 422 -2.507 22.305 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 422 -4.045 24.358 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 422 -3.979 22.729 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 422 -2.338 23.202 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 422 -3.004 21.630 -3.150 1.00 0.00 H new ATOM 330 N THR A 423 -6.163 23.462 -1.557 1.00 0.00 N ATOM 331 CA THR A 423 -7.462 22.966 -1.136 1.00 0.00 C ATOM 332 C THR A 423 -8.498 23.180 -2.241 1.00 0.00 C ATOM 333 O THR A 423 -9.104 24.247 -2.331 1.00 0.00 O ATOM 334 CB THR A 423 -7.827 23.653 0.181 1.00 0.00 C ATOM 335 OG1 THR A 423 -7.668 25.042 -0.097 1.00 0.00 O ATOM 336 CG2 THR A 423 -6.809 23.375 1.288 1.00 0.00 C ATOM 0 H THR A 423 -6.139 24.457 -1.782 1.00 0.00 H new ATOM 0 HA THR A 423 -7.437 21.890 -0.961 1.00 0.00 H new ATOM 0 HB THR A 423 -8.813 23.319 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 423 -8.125 25.262 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 423 -7.116 23.886 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 423 -6.756 22.302 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 423 -5.829 23.739 0.980 1.00 0.00 H new ATOM 344 N ASP A 424 -8.671 22.149 -3.055 1.00 0.00 N ATOM 345 CA ASP A 424 -9.623 22.211 -4.151 1.00 0.00 C ATOM 346 C ASP A 424 -10.323 20.858 -4.290 1.00 0.00 C ATOM 347 O ASP A 424 -10.091 19.950 -3.493 1.00 0.00 O ATOM 348 CB ASP A 424 -8.921 22.518 -5.475 1.00 0.00 C ATOM 349 CG ASP A 424 -9.692 23.445 -6.416 1.00 0.00 C ATOM 350 OD1 ASP A 424 -10.482 24.259 -5.891 1.00 0.00 O ATOM 351 OD2 ASP A 424 -9.475 23.318 -7.641 1.00 0.00 O ATOM 0 H ASP A 424 -8.168 21.265 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 424 -10.339 23.003 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -7.952 22.968 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -8.728 21.579 -5.993 1.00 0.00 H new ATOM 356 N THR A 425 -11.167 20.765 -5.307 1.00 0.00 N ATOM 357 CA THR A 425 -11.902 19.538 -5.561 1.00 0.00 C ATOM 358 C THR A 425 -10.984 18.486 -6.187 1.00 0.00 C ATOM 359 O THR A 425 -11.320 17.303 -6.218 1.00 0.00 O ATOM 360 CB THR A 425 -13.112 19.883 -6.431 1.00 0.00 C ATOM 361 OG1 THR A 425 -13.879 18.682 -6.451 1.00 0.00 O ATOM 362 CG2 THR A 425 -12.735 20.109 -7.896 1.00 0.00 C ATOM 0 H THR A 425 -11.358 21.520 -5.965 1.00 0.00 H new ATOM 0 HA THR A 425 -12.266 19.096 -4.633 1.00 0.00 H new ATOM 0 HB THR A 425 -13.597 20.777 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 425 -14.684 18.817 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 425 -13.630 20.351 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 425 -12.026 20.934 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 425 -12.280 19.204 -8.298 1.00 0.00 H new ATOM 370 N ASP A 426 -9.843 18.955 -6.670 1.00 0.00 N ATOM 371 CA ASP A 426 -8.874 18.069 -7.293 1.00 0.00 C ATOM 372 C ASP A 426 -7.488 18.713 -7.232 1.00 0.00 C ATOM 373 O ASP A 426 -6.751 18.704 -8.217 1.00 0.00 O ATOM 374 CB ASP A 426 -9.217 17.825 -8.764 1.00 0.00 C ATOM 375 CG ASP A 426 -10.270 16.743 -9.011 1.00 0.00 C ATOM 376 OD1 ASP A 426 -11.469 17.081 -8.899 1.00 0.00 O ATOM 377 OD2 ASP A 426 -9.853 15.602 -9.306 1.00 0.00 O ATOM 0 H ASP A 426 -9.568 19.937 -6.643 1.00 0.00 H new ATOM 0 HA ASP A 426 -8.891 17.120 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -9.569 18.760 -9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -8.305 17.551 -9.294 1.00 0.00 H new ATOM 382 N GLU A 427 -7.174 19.257 -6.065 1.00 0.00 N ATOM 383 CA GLU A 427 -5.889 19.905 -5.862 1.00 0.00 C ATOM 384 C GLU A 427 -4.871 18.903 -5.314 1.00 0.00 C ATOM 385 O GLU A 427 -5.238 17.809 -4.888 1.00 0.00 O ATOM 386 CB GLU A 427 -6.024 21.113 -4.934 1.00 0.00 C ATOM 387 CG GLU A 427 -5.468 22.376 -5.595 1.00 0.00 C ATOM 388 CD GLU A 427 -6.048 22.562 -6.998 1.00 0.00 C ATOM 389 OE1 GLU A 427 -7.011 21.831 -7.316 1.00 0.00 O ATOM 390 OE2 GLU A 427 -5.515 23.430 -7.722 1.00 0.00 O ATOM 0 H GLU A 427 -7.788 19.262 -5.250 1.00 0.00 H new ATOM 0 HA GLU A 427 -5.531 20.268 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -7.073 21.264 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -5.492 20.922 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -5.704 23.246 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -4.381 22.312 -5.652 1.00 0.00 H new ATOM 397 N LEU A 428 -3.611 19.312 -5.342 1.00 0.00 N ATOM 398 CA LEU A 428 -2.537 18.465 -4.853 1.00 0.00 C ATOM 399 C LEU A 428 -1.708 19.240 -3.827 1.00 0.00 C ATOM 400 O LEU A 428 -1.040 20.213 -4.172 1.00 0.00 O ATOM 401 CB LEU A 428 -1.714 17.916 -6.020 1.00 0.00 C ATOM 402 CG LEU A 428 -1.117 16.521 -5.822 1.00 0.00 C ATOM 403 CD1 LEU A 428 -2.176 15.437 -6.027 1.00 0.00 C ATOM 404 CD2 LEU A 428 0.100 16.312 -6.726 1.00 0.00 C ATOM 0 H LEU A 428 -3.310 20.220 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 428 -2.943 17.593 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 428 -2.347 17.896 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 428 -0.900 18.612 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 428 -0.770 16.441 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 428 -1.725 14.456 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 428 -2.983 15.576 -5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 428 -2.575 15.505 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 428 0.505 15.313 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 428 -0.199 16.419 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 428 0.862 17.055 -6.488 1.00 0.00 H new ATOM 416 N GLN A 429 -1.780 18.779 -2.587 1.00 0.00 N ATOM 417 CA GLN A 429 -1.044 19.417 -1.508 1.00 0.00 C ATOM 418 C GLN A 429 0.419 18.969 -1.525 1.00 0.00 C ATOM 419 O GLN A 429 0.705 17.776 -1.621 1.00 0.00 O ATOM 420 CB GLN A 429 -1.692 19.123 -0.154 1.00 0.00 C ATOM 421 CG GLN A 429 -1.283 20.167 0.888 1.00 0.00 C ATOM 422 CD GLN A 429 -2.410 20.409 1.894 1.00 0.00 C ATOM 423 OE1 GLN A 429 -2.274 20.181 3.085 1.00 0.00 O ATOM 424 NE2 GLN A 429 -3.528 20.881 1.350 1.00 0.00 N ATOM 0 H GLN A 429 -2.336 17.972 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 429 -1.075 20.496 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 429 -2.777 19.115 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 429 -1.398 18.130 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 429 -0.388 19.831 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 429 -1.028 21.103 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 429 -3.575 21.050 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 429 -4.339 21.074 1.938 1.00 0.00 H new ATOM 433 N LEU A 430 1.306 19.948 -1.431 1.00 0.00 N ATOM 434 CA LEU A 430 2.732 19.669 -1.435 1.00 0.00 C ATOM 435 C LEU A 430 3.371 20.288 -0.190 1.00 0.00 C ATOM 436 O LEU A 430 2.984 21.375 0.236 1.00 0.00 O ATOM 437 CB LEU A 430 3.366 20.135 -2.747 1.00 0.00 C ATOM 438 CG LEU A 430 3.441 19.090 -3.863 1.00 0.00 C ATOM 439 CD1 LEU A 430 4.036 17.778 -3.347 1.00 0.00 C ATOM 440 CD2 LEU A 430 2.072 18.883 -4.513 1.00 0.00 C ATOM 0 H LEU A 430 1.065 20.936 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 430 2.910 18.595 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 430 2.802 20.992 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 430 4.376 20.485 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 430 4.111 19.464 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 430 4.078 17.053 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 430 5.042 17.959 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 430 3.412 17.387 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 430 2.153 18.136 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 430 1.360 18.541 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 430 1.725 19.825 -4.939 1.00 0.00 H new ATOM 452 N LYS A 431 4.339 19.568 0.359 1.00 0.00 N ATOM 453 CA LYS A 431 5.035 20.033 1.547 1.00 0.00 C ATOM 454 C LYS A 431 6.540 20.067 1.269 1.00 0.00 C ATOM 455 O LYS A 431 7.114 19.079 0.816 1.00 0.00 O ATOM 456 CB LYS A 431 4.653 19.182 2.759 1.00 0.00 C ATOM 457 CG LYS A 431 4.964 17.704 2.512 1.00 0.00 C ATOM 458 CD LYS A 431 3.690 16.859 2.567 1.00 0.00 C ATOM 459 CE LYS A 431 2.772 17.173 1.384 1.00 0.00 C ATOM 460 NZ LYS A 431 1.431 16.585 1.598 1.00 0.00 N ATOM 0 H LYS A 431 4.657 18.667 0.003 1.00 0.00 H new ATOM 0 HA LYS A 431 4.732 21.051 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 431 5.196 19.530 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 431 3.591 19.303 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.441 17.587 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 431 5.673 17.348 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 431 3.951 15.801 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 431 3.163 17.050 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 431 2.686 18.252 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 431 3.206 16.779 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 0.742 17.056 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 1.458 15.569 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 1.149 16.716 2.590 1.00 0.00 H new ATOM 474 N ALA A 432 7.135 21.216 1.554 1.00 0.00 N ATOM 475 CA ALA A 432 8.562 21.393 1.341 1.00 0.00 C ATOM 476 C ALA A 432 9.283 20.074 1.628 1.00 0.00 C ATOM 477 O ALA A 432 9.486 19.713 2.786 1.00 0.00 O ATOM 478 CB ALA A 432 9.071 22.538 2.218 1.00 0.00 C ATOM 0 H ALA A 432 6.655 22.034 1.931 1.00 0.00 H new ATOM 0 HA ALA A 432 8.765 21.661 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 432 10.141 22.671 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 432 8.548 23.458 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 432 8.887 22.303 3.266 1.00 0.00 H new ATOM 484 N GLY A 433 9.650 19.391 0.553 1.00 0.00 N ATOM 485 CA GLY A 433 10.344 18.121 0.675 1.00 0.00 C ATOM 486 C GLY A 433 9.367 16.949 0.556 1.00 0.00 C ATOM 487 O GLY A 433 9.371 16.046 1.392 1.00 0.00 O ATOM 0 H GLY A 433 9.480 19.694 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 433 11.107 18.043 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 433 10.859 18.074 1.635 1.00 0.00 H new ATOM 491 N ASP A 434 8.554 17.002 -0.488 1.00 0.00 N ATOM 492 CA ASP A 434 7.574 15.956 -0.727 1.00 0.00 C ATOM 493 C ASP A 434 7.945 15.196 -2.002 1.00 0.00 C ATOM 494 O ASP A 434 8.820 15.626 -2.753 1.00 0.00 O ATOM 495 CB ASP A 434 6.175 16.545 -0.918 1.00 0.00 C ATOM 496 CG ASP A 434 5.023 15.602 -0.565 1.00 0.00 C ATOM 497 OD1 ASP A 434 4.872 15.316 0.642 1.00 0.00 O ATOM 498 OD2 ASP A 434 4.318 15.189 -1.511 1.00 0.00 O ATOM 0 H ASP A 434 8.553 17.753 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 434 7.571 15.293 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 434 6.089 17.444 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 434 6.066 16.854 -1.958 1.00 0.00 H new ATOM 503 N VAL A 435 7.262 14.080 -2.208 1.00 0.00 N ATOM 504 CA VAL A 435 7.509 13.257 -3.380 1.00 0.00 C ATOM 505 C VAL A 435 6.223 13.150 -4.202 1.00 0.00 C ATOM 506 O VAL A 435 5.202 12.675 -3.706 1.00 0.00 O ATOM 507 CB VAL A 435 8.062 11.895 -2.955 1.00 0.00 C ATOM 508 CG1 VAL A 435 9.558 11.983 -2.647 1.00 0.00 C ATOM 509 CG2 VAL A 435 7.288 11.337 -1.759 1.00 0.00 C ATOM 0 H VAL A 435 6.538 13.726 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 435 8.265 13.716 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 435 7.931 11.206 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 435 9.926 11.002 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 435 10.094 12.316 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 435 9.722 12.694 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 435 7.702 10.369 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 435 7.372 12.025 -0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 435 6.238 11.219 -2.028 1.00 0.00 H new ATOM 519 N VAL A 436 6.315 13.598 -5.446 1.00 0.00 N ATOM 520 CA VAL A 436 5.172 13.558 -6.342 1.00 0.00 C ATOM 521 C VAL A 436 5.616 13.021 -7.704 1.00 0.00 C ATOM 522 O VAL A 436 6.755 13.234 -8.118 1.00 0.00 O ATOM 523 CB VAL A 436 4.525 14.942 -6.427 1.00 0.00 C ATOM 524 CG1 VAL A 436 3.587 15.036 -7.632 1.00 0.00 C ATOM 525 CG2 VAL A 436 3.788 15.283 -5.130 1.00 0.00 C ATOM 0 H VAL A 436 7.163 13.990 -5.854 1.00 0.00 H new ATOM 0 HA VAL A 436 4.409 12.880 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 436 5.320 15.676 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 436 3.140 16.030 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 436 4.151 14.858 -8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 436 2.800 14.288 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 436 3.337 16.272 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 436 3.008 14.543 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 436 4.493 15.277 -4.299 1.00 0.00 H new ATOM 535 N LEU A 437 4.694 12.336 -8.364 1.00 0.00 N ATOM 536 CA LEU A 437 4.976 11.767 -9.670 1.00 0.00 C ATOM 537 C LEU A 437 4.145 12.495 -10.729 1.00 0.00 C ATOM 538 O LEU A 437 2.947 12.706 -10.546 1.00 0.00 O ATOM 539 CB LEU A 437 4.759 10.252 -9.654 1.00 0.00 C ATOM 540 CG LEU A 437 3.921 9.707 -8.495 1.00 0.00 C ATOM 541 CD1 LEU A 437 3.312 8.349 -8.850 1.00 0.00 C ATOM 542 CD2 LEU A 437 4.742 9.648 -7.205 1.00 0.00 C ATOM 0 H LEU A 437 3.750 12.162 -8.018 1.00 0.00 H new ATOM 0 HA LEU A 437 6.024 11.913 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.280 9.964 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.734 9.765 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 437 3.094 10.394 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 437 2.722 7.984 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 437 2.671 8.455 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 437 4.109 7.639 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 437 4.123 9.257 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 437 5.603 8.995 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 437 5.086 10.649 -6.947 1.00 0.00 H new ATOM 554 N VAL A 438 4.814 12.859 -11.813 1.00 0.00 N ATOM 555 CA VAL A 438 4.153 13.559 -12.901 1.00 0.00 C ATOM 556 C VAL A 438 3.379 12.552 -13.755 1.00 0.00 C ATOM 557 O VAL A 438 3.969 11.637 -14.328 1.00 0.00 O ATOM 558 CB VAL A 438 5.176 14.362 -13.705 1.00 0.00 C ATOM 559 CG1 VAL A 438 4.496 15.154 -14.824 1.00 0.00 C ATOM 560 CG2 VAL A 438 5.986 15.287 -12.794 1.00 0.00 C ATOM 0 H VAL A 438 5.808 12.682 -11.961 1.00 0.00 H new ATOM 0 HA VAL A 438 3.431 14.276 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 438 5.867 13.656 -14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 438 5.247 15.716 -15.380 1.00 0.00 H new ATOM 0 HG12 VAL A 438 3.985 14.466 -15.498 1.00 0.00 H new ATOM 0 HG13 VAL A 438 3.772 15.845 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL A 438 6.706 15.846 -13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 438 5.314 15.982 -12.291 1.00 0.00 H new ATOM 0 HG23 VAL A 438 6.516 14.692 -12.050 1.00 0.00 H new ATOM 570 N ILE A 439 2.071 12.754 -13.812 1.00 0.00 N ATOM 571 CA ILE A 439 1.211 11.874 -14.586 1.00 0.00 C ATOM 572 C ILE A 439 0.346 12.714 -15.528 1.00 0.00 C ATOM 573 O ILE A 439 0.065 13.878 -15.246 1.00 0.00 O ATOM 574 CB ILE A 439 0.404 10.963 -13.659 1.00 0.00 C ATOM 575 CG1 ILE A 439 -0.626 11.765 -12.862 1.00 0.00 C ATOM 576 CG2 ILE A 439 1.328 10.151 -12.749 1.00 0.00 C ATOM 577 CD1 ILE A 439 -0.091 12.118 -11.473 1.00 0.00 C ATOM 0 H ILE A 439 1.586 13.514 -13.335 1.00 0.00 H new ATOM 0 HA ILE A 439 1.808 11.208 -15.209 1.00 0.00 H new ATOM 0 HB ILE A 439 -0.148 10.252 -14.274 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.878 12.678 -13.401 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -1.546 11.188 -12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 439 0.730 9.512 -12.100 1.00 0.00 H new ATOM 0 HG22 ILE A 439 1.988 9.533 -13.358 1.00 0.00 H new ATOM 0 HG23 ILE A 439 1.926 10.829 -12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.843 12.688 -10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 439 0.137 11.202 -10.927 1.00 0.00 H new ATOM 0 HD13 ILE A 439 0.815 12.716 -11.573 1.00 0.00 H new ATOM 589 N PRO A 440 -0.062 12.074 -16.657 1.00 0.00 N ATOM 590 CA PRO A 440 -0.889 12.750 -17.642 1.00 0.00 C ATOM 591 C PRO A 440 -2.332 12.877 -17.151 1.00 0.00 C ATOM 592 O PRO A 440 -3.009 11.873 -16.934 1.00 0.00 O ATOM 593 CB PRO A 440 -0.762 11.911 -18.903 1.00 0.00 C ATOM 594 CG PRO A 440 -0.248 10.553 -18.451 1.00 0.00 C ATOM 595 CD PRO A 440 0.253 10.697 -17.023 1.00 0.00 C ATOM 0 HA PRO A 440 -0.570 13.776 -17.828 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.724 11.816 -19.407 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.074 12.373 -19.612 1.00 0.00 H new ATOM 0 HG2 PRO A 440 -1.041 9.807 -18.504 1.00 0.00 H new ATOM 0 HG3 PRO A 440 0.555 10.212 -19.105 1.00 0.00 H new ATOM 0 HD2 PRO A 440 -0.239 9.988 -16.357 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.324 10.505 -16.958 1.00 0.00 H new ATOM 603 N PHE A 441 -2.761 14.121 -16.991 1.00 0.00 N ATOM 604 CA PHE A 441 -4.112 14.393 -16.530 1.00 0.00 C ATOM 605 C PHE A 441 -5.148 13.802 -17.488 1.00 0.00 C ATOM 606 O PHE A 441 -4.795 13.093 -18.429 1.00 0.00 O ATOM 607 CB PHE A 441 -4.275 15.914 -16.496 1.00 0.00 C ATOM 608 CG PHE A 441 -3.563 16.641 -17.638 1.00 0.00 C ATOM 609 CD1 PHE A 441 -3.419 16.034 -18.846 1.00 0.00 C ATOM 610 CD2 PHE A 441 -3.075 17.896 -17.445 1.00 0.00 C ATOM 611 CE1 PHE A 441 -2.758 16.709 -19.906 1.00 0.00 C ATOM 612 CE2 PHE A 441 -2.414 18.571 -18.505 1.00 0.00 C ATOM 613 CZ PHE A 441 -2.270 17.964 -19.713 1.00 0.00 C ATOM 0 H PHE A 441 -2.197 14.951 -17.172 1.00 0.00 H new ATOM 0 HA PHE A 441 -4.267 13.945 -15.549 1.00 0.00 H new ATOM 0 HB2 PHE A 441 -5.337 16.156 -16.531 1.00 0.00 H new ATOM 0 HB3 PHE A 441 -3.894 16.289 -15.546 1.00 0.00 H new ATOM 0 HD1 PHE A 441 -3.808 15.038 -18.999 1.00 0.00 H new ATOM 0 HD2 PHE A 441 -3.190 18.379 -16.486 1.00 0.00 H new ATOM 0 HE1 PHE A 441 -2.643 16.226 -20.865 1.00 0.00 H new ATOM 0 HE2 PHE A 441 -2.025 19.567 -18.352 1.00 0.00 H new ATOM 0 HZ PHE A 441 -1.768 18.478 -20.519 1.00 0.00 H new ATOM 623 N GLN A 442 -6.406 14.115 -17.215 1.00 0.00 N ATOM 624 CA GLN A 442 -7.495 13.624 -18.042 1.00 0.00 C ATOM 625 C GLN A 442 -7.678 14.521 -19.267 1.00 0.00 C ATOM 626 O GLN A 442 -8.203 14.082 -20.289 1.00 0.00 O ATOM 627 CB GLN A 442 -8.792 13.524 -17.236 1.00 0.00 C ATOM 628 CG GLN A 442 -9.208 14.894 -16.695 1.00 0.00 C ATOM 629 CD GLN A 442 -9.368 14.857 -15.174 1.00 0.00 C ATOM 630 OE1 GLN A 442 -9.905 13.922 -14.603 1.00 0.00 O ATOM 631 NE2 GLN A 442 -8.872 15.923 -14.552 1.00 0.00 N ATOM 0 H GLN A 442 -6.695 14.702 -16.433 1.00 0.00 H new ATOM 0 HA GLN A 442 -7.241 12.621 -18.386 1.00 0.00 H new ATOM 0 HB2 GLN A 442 -9.586 13.121 -17.865 1.00 0.00 H new ATOM 0 HB3 GLN A 442 -8.657 12.828 -16.408 1.00 0.00 H new ATOM 0 HG2 GLN A 442 -8.460 15.639 -16.968 1.00 0.00 H new ATOM 0 HG3 GLN A 442 -10.147 15.201 -17.156 1.00 0.00 H new ATOM 0 HE21 GLN A 442 -8.435 16.671 -15.091 1.00 0.00 H new ATOM 0 HE22 GLN A 442 -8.929 15.993 -13.536 1.00 0.00 H new ATOM 640 N ASN A 443 -7.235 15.762 -19.124 1.00 0.00 N ATOM 641 CA ASN A 443 -7.344 16.724 -20.207 1.00 0.00 C ATOM 642 C ASN A 443 -6.494 17.953 -19.878 1.00 0.00 C ATOM 643 O ASN A 443 -6.357 18.324 -18.713 1.00 0.00 O ATOM 644 CB ASN A 443 -8.791 17.186 -20.391 1.00 0.00 C ATOM 645 CG ASN A 443 -9.292 16.868 -21.801 1.00 0.00 C ATOM 646 OD1 ASN A 443 -9.393 17.933 -22.592 1.00 0.00 O flip ATOM 647 ND2 ASN A 443 -9.569 15.732 -22.148 1.00 0.00 N flip ATOM 0 H ASN A 443 -6.800 16.123 -18.275 1.00 0.00 H new ATOM 0 HA ASN A 443 -7.001 16.242 -21.122 1.00 0.00 H new ATOM 0 HB2 ASN A 443 -9.429 16.697 -19.655 1.00 0.00 H new ATOM 0 HB3 ASN A 443 -8.860 18.259 -20.210 1.00 0.00 H new ATOM 0 HD21 ASN A 443 -9.469 14.959 -21.490 1.00 0.00 H new ATOM 0 HD22 ASN A 443 -9.901 15.555 -23.096 1.00 0.00 H new ATOM 654 N PRO A 444 -5.930 18.567 -20.953 1.00 0.00 N ATOM 655 CA PRO A 444 -5.098 19.747 -20.789 1.00 0.00 C ATOM 656 C PRO A 444 -5.949 20.981 -20.487 1.00 0.00 C ATOM 657 O PRO A 444 -5.437 21.989 -20.002 1.00 0.00 O ATOM 658 CB PRO A 444 -4.322 19.864 -22.092 1.00 0.00 C ATOM 659 CG PRO A 444 -5.083 19.027 -23.107 1.00 0.00 C ATOM 660 CD PRO A 444 -6.071 18.156 -22.347 1.00 0.00 C ATOM 0 HA PRO A 444 -4.418 19.668 -19.941 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -4.255 20.903 -22.415 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -3.301 19.501 -21.973 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -5.607 19.669 -23.815 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -4.395 18.409 -23.685 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -7.090 18.308 -22.704 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -5.844 17.097 -22.473 1.00 0.00 H new ATOM 668 N GLU A 445 -7.234 20.862 -20.786 1.00 0.00 N ATOM 669 CA GLU A 445 -8.162 21.956 -20.552 1.00 0.00 C ATOM 670 C GLU A 445 -8.407 22.132 -19.052 1.00 0.00 C ATOM 671 O GLU A 445 -8.877 23.182 -18.616 1.00 0.00 O ATOM 672 CB GLU A 445 -9.477 21.729 -21.300 1.00 0.00 C ATOM 673 CG GLU A 445 -10.316 20.647 -20.617 1.00 0.00 C ATOM 674 CD GLU A 445 -11.534 21.256 -19.919 1.00 0.00 C ATOM 675 OE1 GLU A 445 -11.313 22.122 -19.046 1.00 0.00 O ATOM 676 OE2 GLU A 445 -12.658 20.842 -20.275 1.00 0.00 O ATOM 0 H GLU A 445 -7.655 20.025 -21.188 1.00 0.00 H new ATOM 0 HA GLU A 445 -7.717 22.873 -20.938 1.00 0.00 H new ATOM 0 HB2 GLU A 445 -10.042 22.660 -21.341 1.00 0.00 H new ATOM 0 HB3 GLU A 445 -9.268 21.437 -22.329 1.00 0.00 H new ATOM 0 HG2 GLU A 445 -10.644 19.916 -21.356 1.00 0.00 H new ATOM 0 HG3 GLU A 445 -9.705 20.113 -19.889 1.00 0.00 H new ATOM 683 N GLU A 446 -8.077 21.090 -18.304 1.00 0.00 N ATOM 684 CA GLU A 446 -8.256 21.116 -16.863 1.00 0.00 C ATOM 685 C GLU A 446 -6.960 21.551 -16.175 1.00 0.00 C ATOM 686 O GLU A 446 -6.963 21.883 -14.991 1.00 0.00 O ATOM 687 CB GLU A 446 -8.722 19.755 -16.343 1.00 0.00 C ATOM 688 CG GLU A 446 -10.010 19.313 -17.040 1.00 0.00 C ATOM 689 CD GLU A 446 -11.213 19.443 -16.104 1.00 0.00 C ATOM 690 OE1 GLU A 446 -11.420 18.499 -15.311 1.00 0.00 O ATOM 691 OE2 GLU A 446 -11.898 20.484 -16.202 1.00 0.00 O ATOM 0 H GLU A 446 -7.686 20.222 -18.669 1.00 0.00 H new ATOM 0 HA GLU A 446 -9.033 21.843 -16.626 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -7.942 19.012 -16.508 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -8.887 19.810 -15.267 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -10.171 19.919 -17.932 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -9.912 18.279 -17.371 1.00 0.00 H new ATOM 698 N GLN A 447 -5.884 21.536 -16.948 1.00 0.00 N ATOM 699 CA GLN A 447 -4.584 21.925 -16.428 1.00 0.00 C ATOM 700 C GLN A 447 -4.350 23.421 -16.648 1.00 0.00 C ATOM 701 O GLN A 447 -4.904 24.010 -17.575 1.00 0.00 O ATOM 702 CB GLN A 447 -3.468 21.096 -17.066 1.00 0.00 C ATOM 703 CG GLN A 447 -2.267 20.976 -16.125 1.00 0.00 C ATOM 704 CD GLN A 447 -0.952 21.138 -16.890 1.00 0.00 C ATOM 705 OE1 GLN A 447 -0.187 20.204 -17.064 1.00 0.00 O ATOM 706 NE2 GLN A 447 -0.734 22.371 -17.336 1.00 0.00 N ATOM 0 H GLN A 447 -5.886 21.261 -17.930 1.00 0.00 H new ATOM 0 HA GLN A 447 -4.570 21.729 -15.356 1.00 0.00 H new ATOM 0 HB2 GLN A 447 -3.843 20.102 -17.311 1.00 0.00 H new ATOM 0 HB3 GLN A 447 -3.156 21.559 -18.002 1.00 0.00 H new ATOM 0 HG2 GLN A 447 -2.334 21.735 -15.346 1.00 0.00 H new ATOM 0 HG3 GLN A 447 -2.286 20.006 -15.628 1.00 0.00 H new ATOM 0 HE21 GLN A 447 -1.417 23.107 -17.155 1.00 0.00 H new ATOM 0 HE22 GLN A 447 0.116 22.581 -17.859 1.00 0.00 H new ATOM 715 N ASP A 448 -3.529 23.994 -15.780 1.00 0.00 N ATOM 716 CA ASP A 448 -3.215 25.410 -15.868 1.00 0.00 C ATOM 717 C ASP A 448 -1.760 25.579 -16.308 1.00 0.00 C ATOM 718 O ASP A 448 -0.987 24.622 -16.289 1.00 0.00 O ATOM 719 CB ASP A 448 -3.382 26.096 -14.511 1.00 0.00 C ATOM 720 CG ASP A 448 -3.540 27.617 -14.571 1.00 0.00 C ATOM 721 OD1 ASP A 448 -3.753 28.121 -15.694 1.00 0.00 O ATOM 722 OD2 ASP A 448 -3.444 28.240 -13.492 1.00 0.00 O ATOM 0 H ASP A 448 -3.071 23.503 -15.012 1.00 0.00 H new ATOM 0 HA ASP A 448 -3.897 25.863 -16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 448 -4.255 25.674 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 448 -2.516 25.860 -13.892 1.00 0.00 H new ATOM 727 N GLU A 449 -1.430 26.802 -16.694 1.00 0.00 N ATOM 728 CA GLU A 449 -0.081 27.109 -17.138 1.00 0.00 C ATOM 729 C GLU A 449 0.848 27.282 -15.934 1.00 0.00 C ATOM 730 O GLU A 449 0.776 28.288 -15.230 1.00 0.00 O ATOM 731 CB GLU A 449 -0.066 28.355 -18.026 1.00 0.00 C ATOM 732 CG GLU A 449 0.995 28.234 -19.122 1.00 0.00 C ATOM 733 CD GLU A 449 0.886 29.390 -20.119 1.00 0.00 C ATOM 734 OE1 GLU A 449 -0.048 29.337 -20.949 1.00 0.00 O ATOM 735 OE2 GLU A 449 1.740 30.299 -20.030 1.00 0.00 O ATOM 0 H GLU A 449 -2.074 27.593 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 449 0.283 26.273 -17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 449 -1.048 28.495 -18.479 1.00 0.00 H new ATOM 0 HB3 GLU A 449 0.133 29.237 -17.418 1.00 0.00 H new ATOM 0 HG2 GLU A 449 1.988 28.228 -18.673 1.00 0.00 H new ATOM 0 HG3 GLU A 449 0.876 27.285 -19.645 1.00 0.00 H new ATOM 742 N GLY A 450 1.698 26.285 -15.735 1.00 0.00 N ATOM 743 CA GLY A 450 2.639 26.314 -14.629 1.00 0.00 C ATOM 744 C GLY A 450 2.348 25.191 -13.632 1.00 0.00 C ATOM 745 O GLY A 450 3.232 24.776 -12.883 1.00 0.00 O ATOM 0 H GLY A 450 1.754 25.452 -16.321 1.00 0.00 H new ATOM 0 HA2 GLY A 450 3.656 26.213 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 450 2.582 27.278 -14.123 1.00 0.00 H new ATOM 749 N TRP A 451 1.106 24.730 -13.654 1.00 0.00 N ATOM 750 CA TRP A 451 0.688 23.662 -12.761 1.00 0.00 C ATOM 751 C TRP A 451 0.257 22.471 -13.618 1.00 0.00 C ATOM 752 O TRP A 451 -0.481 22.634 -14.589 1.00 0.00 O ATOM 753 CB TRP A 451 -0.410 24.142 -11.810 1.00 0.00 C ATOM 754 CG TRP A 451 -0.253 25.597 -11.361 1.00 0.00 C ATOM 755 CD1 TRP A 451 -0.078 26.682 -12.128 1.00 0.00 C ATOM 756 CD2 TRP A 451 -0.264 26.083 -10.003 1.00 0.00 C ATOM 757 NE1 TRP A 451 0.024 27.828 -11.366 1.00 0.00 N ATOM 758 CE2 TRP A 451 -0.092 27.452 -10.032 1.00 0.00 C ATOM 759 CE3 TRP A 451 -0.413 25.390 -8.789 1.00 0.00 C ATOM 760 CZ2 TRP A 451 -0.055 28.245 -8.879 1.00 0.00 C ATOM 761 CZ3 TRP A 451 -0.373 26.197 -7.645 1.00 0.00 C ATOM 762 CH2 TRP A 451 -0.201 27.576 -7.658 1.00 0.00 C ATOM 0 H TRP A 451 0.376 25.076 -14.276 1.00 0.00 H new ATOM 0 HA TRP A 451 1.513 23.350 -12.120 1.00 0.00 H new ATOM 0 HB2 TRP A 451 -1.377 24.026 -12.300 1.00 0.00 H new ATOM 0 HB3 TRP A 451 -0.420 23.500 -10.929 1.00 0.00 H new ATOM 0 HD1 TRP A 451 -0.024 26.662 -13.206 1.00 0.00 H new ATOM 0 HE1 TRP A 451 0.160 28.776 -11.717 1.00 0.00 H new ATOM 0 HE3 TRP A 451 -0.548 24.319 -8.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 0.079 29.315 -8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 -0.484 25.714 -6.685 1.00 0.00 H new ATOM 0 HH2 TRP A 451 -0.180 28.129 -6.731 1.00 0.00 H new ATOM 773 N LEU A 452 0.737 21.298 -13.229 1.00 0.00 N ATOM 774 CA LEU A 452 0.410 20.080 -13.950 1.00 0.00 C ATOM 775 C LEU A 452 -0.235 19.081 -12.988 1.00 0.00 C ATOM 776 O LEU A 452 -0.244 19.297 -11.777 1.00 0.00 O ATOM 777 CB LEU A 452 1.647 19.533 -14.666 1.00 0.00 C ATOM 778 CG LEU A 452 2.935 20.340 -14.489 1.00 0.00 C ATOM 779 CD1 LEU A 452 4.167 19.468 -14.742 1.00 0.00 C ATOM 780 CD2 LEU A 452 2.926 21.588 -15.374 1.00 0.00 C ATOM 0 H LEU A 452 1.349 21.166 -12.424 1.00 0.00 H new ATOM 0 HA LEU A 452 -0.319 20.285 -14.734 1.00 0.00 H new ATOM 0 HB2 LEU A 452 1.827 18.517 -14.314 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.426 19.467 -15.731 1.00 0.00 H new ATOM 0 HG LEU A 452 2.986 20.679 -13.454 1.00 0.00 H new ATOM 0 HD11 LEU A 452 5.069 20.065 -14.610 1.00 0.00 H new ATOM 0 HD12 LEU A 452 4.176 18.637 -14.037 1.00 0.00 H new ATOM 0 HD13 LEU A 452 4.135 19.080 -15.760 1.00 0.00 H new ATOM 0 HD21 LEU A 452 3.853 22.144 -15.229 1.00 0.00 H new ATOM 0 HD22 LEU A 452 2.840 21.292 -16.420 1.00 0.00 H new ATOM 0 HD23 LEU A 452 2.079 22.219 -15.105 1.00 0.00 H new ATOM 792 N MET A 453 -0.759 18.008 -13.563 1.00 0.00 N ATOM 793 CA MET A 453 -1.406 16.975 -12.771 1.00 0.00 C ATOM 794 C MET A 453 -0.389 15.938 -12.289 1.00 0.00 C ATOM 795 O MET A 453 0.181 15.202 -13.093 1.00 0.00 O ATOM 796 CB MET A 453 -2.480 16.284 -13.613 1.00 0.00 C ATOM 797 CG MET A 453 -2.931 14.976 -12.959 1.00 0.00 C ATOM 798 SD MET A 453 -4.714 14.882 -12.949 1.00 0.00 S ATOM 799 CE MET A 453 -5.088 16.218 -11.826 1.00 0.00 C ATOM 0 H MET A 453 -0.749 17.832 -14.568 1.00 0.00 H new ATOM 0 HA MET A 453 -1.862 17.443 -11.898 1.00 0.00 H new ATOM 0 HB2 MET A 453 -3.336 16.948 -13.734 1.00 0.00 H new ATOM 0 HB3 MET A 453 -2.090 16.081 -14.611 1.00 0.00 H new ATOM 0 HG2 MET A 453 -2.517 14.126 -13.502 1.00 0.00 H new ATOM 0 HG3 MET A 453 -2.550 14.919 -11.939 1.00 0.00 H new ATOM 0 HE1 MET A 453 -5.936 16.787 -12.207 1.00 0.00 H new ATOM 0 HE2 MET A 453 -5.335 15.811 -10.845 1.00 0.00 H new ATOM 0 HE3 MET A 453 -4.222 16.874 -11.739 1.00 0.00 H new ATOM 809 N GLY A 454 -0.194 15.912 -10.978 1.00 0.00 N ATOM 810 CA GLY A 454 0.743 14.977 -10.380 1.00 0.00 C ATOM 811 C GLY A 454 0.132 14.300 -9.151 1.00 0.00 C ATOM 812 O GLY A 454 -0.868 14.770 -8.611 1.00 0.00 O ATOM 0 H GLY A 454 -0.669 16.523 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 454 1.026 14.221 -11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 454 1.655 15.502 -10.095 1.00 0.00 H new ATOM 816 N VAL A 455 0.760 13.205 -8.746 1.00 0.00 N ATOM 817 CA VAL A 455 0.291 12.458 -7.591 1.00 0.00 C ATOM 818 C VAL A 455 1.450 12.258 -6.613 1.00 0.00 C ATOM 819 O VAL A 455 2.591 12.064 -7.029 1.00 0.00 O ATOM 820 CB VAL A 455 -0.345 11.142 -8.043 1.00 0.00 C ATOM 821 CG1 VAL A 455 0.725 10.138 -8.477 1.00 0.00 C ATOM 822 CG2 VAL A 455 -1.232 10.556 -6.943 1.00 0.00 C ATOM 0 H VAL A 455 1.589 12.818 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 455 -0.485 13.015 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 455 -0.977 11.353 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 455 0.247 9.211 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 455 1.298 10.553 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.393 9.934 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 455 -1.672 9.621 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 455 -0.631 10.366 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 455 -2.026 11.263 -6.701 1.00 0.00 H new ATOM 832 N LYS A 456 1.117 12.312 -5.332 1.00 0.00 N ATOM 833 CA LYS A 456 2.117 12.139 -4.291 1.00 0.00 C ATOM 834 C LYS A 456 2.497 10.660 -4.196 1.00 0.00 C ATOM 835 O LYS A 456 1.787 9.798 -4.712 1.00 0.00 O ATOM 836 CB LYS A 456 1.623 12.733 -2.971 1.00 0.00 C ATOM 837 CG LYS A 456 1.996 14.213 -2.862 1.00 0.00 C ATOM 838 CD LYS A 456 1.680 14.758 -1.468 1.00 0.00 C ATOM 839 CE LYS A 456 0.175 14.957 -1.285 1.00 0.00 C ATOM 840 NZ LYS A 456 -0.504 13.653 -1.117 1.00 0.00 N ATOM 0 H LYS A 456 0.169 12.473 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 456 3.026 12.687 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 456 0.541 12.621 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 456 2.056 12.183 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 456 3.058 14.340 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.450 14.785 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 456 2.054 14.069 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 456 2.197 15.706 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 456 -0.011 15.585 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 456 -0.236 15.479 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 -1.208 13.724 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 -0.980 13.392 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.198 12.925 -0.874 1.00 0.00 H new ATOM 854 N GLU A 457 3.616 10.411 -3.532 1.00 0.00 N ATOM 855 CA GLU A 457 4.099 9.051 -3.363 1.00 0.00 C ATOM 856 C GLU A 457 3.051 8.202 -2.642 1.00 0.00 C ATOM 857 O GLU A 457 2.828 7.047 -3.002 1.00 0.00 O ATOM 858 CB GLU A 457 5.432 9.032 -2.612 1.00 0.00 C ATOM 859 CG GLU A 457 5.871 7.598 -2.310 1.00 0.00 C ATOM 860 CD GLU A 457 7.372 7.422 -2.552 1.00 0.00 C ATOM 861 OE1 GLU A 457 7.783 7.594 -3.720 1.00 0.00 O ATOM 862 OE2 GLU A 457 8.074 7.119 -1.563 1.00 0.00 O ATOM 0 H GLU A 457 4.202 11.128 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 457 4.270 8.621 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 457 6.196 9.532 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 457 5.337 9.591 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 457 5.634 7.352 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 457 5.314 6.903 -2.938 1.00 0.00 H new ATOM 869 N SER A 458 2.435 8.806 -1.636 1.00 0.00 N ATOM 870 CA SER A 458 1.416 8.120 -0.861 1.00 0.00 C ATOM 871 C SER A 458 0.250 7.721 -1.768 1.00 0.00 C ATOM 872 O SER A 458 -0.242 6.596 -1.693 1.00 0.00 O ATOM 873 CB SER A 458 0.917 8.995 0.291 1.00 0.00 C ATOM 874 OG SER A 458 0.977 8.315 1.542 1.00 0.00 O ATOM 0 H SER A 458 2.623 9.764 -1.340 1.00 0.00 H new ATOM 0 HA SER A 458 1.859 7.221 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 458 1.517 9.903 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 458 -0.110 9.303 0.094 1.00 0.00 H new ATOM 0 HG SER A 458 0.652 8.907 2.252 1.00 0.00 H new ATOM 880 N ASP A 459 -0.158 8.664 -2.603 1.00 0.00 N ATOM 881 CA ASP A 459 -1.257 8.425 -3.523 1.00 0.00 C ATOM 882 C ASP A 459 -0.822 7.406 -4.578 1.00 0.00 C ATOM 883 O ASP A 459 -1.626 6.592 -5.030 1.00 0.00 O ATOM 884 CB ASP A 459 -1.660 9.711 -4.247 1.00 0.00 C ATOM 885 CG ASP A 459 -2.443 10.714 -3.397 1.00 0.00 C ATOM 886 OD1 ASP A 459 -2.569 10.450 -2.181 1.00 0.00 O ATOM 887 OD2 ASP A 459 -2.897 11.721 -3.981 1.00 0.00 O ATOM 0 H ASP A 459 0.253 9.596 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 459 -2.104 8.055 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.759 10.198 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -2.262 9.447 -5.117 1.00 0.00 H new ATOM 892 N TRP A 460 0.451 7.483 -4.939 1.00 0.00 N ATOM 893 CA TRP A 460 1.003 6.577 -5.932 1.00 0.00 C ATOM 894 C TRP A 460 0.701 5.145 -5.486 1.00 0.00 C ATOM 895 O TRP A 460 0.216 4.335 -6.274 1.00 0.00 O ATOM 896 CB TRP A 460 2.497 6.836 -6.139 1.00 0.00 C ATOM 897 CG TRP A 460 3.203 5.770 -6.979 1.00 0.00 C ATOM 898 CD1 TRP A 460 2.647 4.787 -7.701 1.00 0.00 C ATOM 899 CD2 TRP A 460 4.627 5.618 -7.157 1.00 0.00 C ATOM 900 NE1 TRP A 460 3.605 4.016 -8.328 1.00 0.00 N ATOM 901 CE2 TRP A 460 4.847 4.538 -7.987 1.00 0.00 C ATOM 902 CE3 TRP A 460 5.694 6.370 -6.633 1.00 0.00 C ATOM 903 CZ2 TRP A 460 6.125 4.111 -8.367 1.00 0.00 C ATOM 904 CZ3 TRP A 460 6.965 5.930 -7.023 1.00 0.00 C ATOM 905 CH2 TRP A 460 7.203 4.845 -7.858 1.00 0.00 C ATOM 0 H TRP A 460 1.115 8.159 -4.562 1.00 0.00 H new ATOM 0 HA TRP A 460 0.541 6.743 -6.905 1.00 0.00 H new ATOM 0 HB2 TRP A 460 2.624 7.806 -6.620 1.00 0.00 H new ATOM 0 HB3 TRP A 460 2.983 6.897 -5.165 1.00 0.00 H new ATOM 0 HD1 TRP A 460 1.583 4.619 -7.782 1.00 0.00 H new ATOM 0 HE1 TRP A 460 3.433 3.211 -8.931 1.00 0.00 H new ATOM 0 HE3 TRP A 460 5.545 7.219 -5.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 6.271 3.261 -9.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 7.821 6.472 -6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 460 8.215 4.569 -8.113 1.00 0.00 H new ATOM 1075 N ARG A 470 -6.264 12.041 -7.927 1.00 0.00 N ATOM 1076 CA ARG A 470 -5.503 12.898 -8.820 1.00 0.00 C ATOM 1077 C ARG A 470 -5.576 14.353 -8.349 1.00 0.00 C ATOM 1078 O ARG A 470 -6.556 14.759 -7.726 1.00 0.00 O ATOM 1079 CB ARG A 470 -6.029 12.807 -10.254 1.00 0.00 C ATOM 1080 CG ARG A 470 -5.926 11.375 -10.785 1.00 0.00 C ATOM 1081 CD ARG A 470 -5.235 11.345 -12.150 1.00 0.00 C ATOM 1082 NE ARG A 470 -4.665 10.003 -12.399 1.00 0.00 N ATOM 1083 CZ ARG A 470 -4.092 9.632 -13.552 1.00 0.00 C ATOM 1084 NH1 ARG A 470 -4.009 10.501 -14.569 1.00 0.00 N ATOM 1085 NH2 ARG A 470 -3.602 8.392 -13.689 1.00 0.00 N ATOM 0 HA ARG A 470 -4.468 12.557 -8.803 1.00 0.00 H new ATOM 0 HB2 ARG A 470 -7.067 13.137 -10.286 1.00 0.00 H new ATOM 0 HB3 ARG A 470 -5.461 13.479 -10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 470 -5.369 10.760 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 470 -6.923 10.942 -10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 470 -5.949 11.597 -12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 470 -4.446 12.096 -12.184 1.00 0.00 H new ATOM 0 HE ARG A 470 -4.711 9.317 -11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 470 -4.382 11.445 -14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 470 -3.573 10.219 -15.447 1.00 0.00 H new ATOM 0 HH21 ARG A 470 -3.665 7.730 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 470 -3.166 8.110 -14.567 1.00 0.00 H new ATOM 1099 N GLY A 471 -4.526 15.097 -8.666 1.00 0.00 N ATOM 1100 CA GLY A 471 -4.459 16.497 -8.283 1.00 0.00 C ATOM 1101 C GLY A 471 -3.484 17.264 -9.179 1.00 0.00 C ATOM 1102 O GLY A 471 -2.873 16.685 -10.076 1.00 0.00 O ATOM 0 H GLY A 471 -3.715 14.757 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -5.451 16.944 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -4.144 16.579 -7.243 1.00 0.00 H new ATOM 1106 N VAL A 472 -3.370 18.555 -8.905 1.00 0.00 N ATOM 1107 CA VAL A 472 -2.480 19.407 -9.675 1.00 0.00 C ATOM 1108 C VAL A 472 -1.540 20.149 -8.722 1.00 0.00 C ATOM 1109 O VAL A 472 -1.825 20.269 -7.532 1.00 0.00 O ATOM 1110 CB VAL A 472 -3.296 20.349 -10.563 1.00 0.00 C ATOM 1111 CG1 VAL A 472 -4.625 20.713 -9.900 1.00 0.00 C ATOM 1112 CG2 VAL A 472 -2.495 21.605 -10.913 1.00 0.00 C ATOM 0 H VAL A 472 -3.879 19.032 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 472 -1.860 18.808 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 472 -3.518 19.824 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 472 -5.185 21.383 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 472 -5.205 19.807 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 472 -4.433 21.209 -8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 472 -3.098 22.257 -11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 472 -2.227 22.133 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 472 -1.588 21.321 -11.446 1.00 0.00 H new ATOM 1122 N PHE A 473 -0.439 20.628 -9.282 1.00 0.00 N ATOM 1123 CA PHE A 473 0.544 21.355 -8.497 1.00 0.00 C ATOM 1124 C PHE A 473 1.496 22.140 -9.402 1.00 0.00 C ATOM 1125 O PHE A 473 1.701 21.775 -10.559 1.00 0.00 O ATOM 1126 CB PHE A 473 1.346 20.316 -7.712 1.00 0.00 C ATOM 1127 CG PHE A 473 2.361 19.544 -8.558 1.00 0.00 C ATOM 1128 CD1 PHE A 473 1.935 18.582 -9.421 1.00 0.00 C ATOM 1129 CD2 PHE A 473 3.688 19.818 -8.447 1.00 0.00 C ATOM 1130 CE1 PHE A 473 2.876 17.865 -10.206 1.00 0.00 C ATOM 1131 CE2 PHE A 473 4.630 19.101 -9.232 1.00 0.00 C ATOM 1132 CZ PHE A 473 4.204 18.140 -10.095 1.00 0.00 C ATOM 0 H PHE A 473 -0.206 20.527 -10.270 1.00 0.00 H new ATOM 0 HA PHE A 473 0.044 22.065 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 473 1.872 20.817 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 473 0.655 19.607 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 473 0.881 18.364 -9.509 1.00 0.00 H new ATOM 0 HD2 PHE A 473 4.026 20.581 -7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 473 2.538 17.102 -10.891 1.00 0.00 H new ATOM 0 HE2 PHE A 473 5.684 19.319 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 473 4.920 17.595 -10.692 1.00 0.00 H new ATOM 1142 N PRO A 474 2.068 23.231 -8.826 1.00 0.00 N ATOM 1143 CA PRO A 474 2.994 24.070 -9.567 1.00 0.00 C ATOM 1144 C PRO A 474 4.357 23.389 -9.711 1.00 0.00 C ATOM 1145 O PRO A 474 5.041 23.146 -8.719 1.00 0.00 O ATOM 1146 CB PRO A 474 3.060 25.371 -8.784 1.00 0.00 C ATOM 1147 CG PRO A 474 2.537 25.047 -7.394 1.00 0.00 C ATOM 1148 CD PRO A 474 1.850 23.693 -7.458 1.00 0.00 C ATOM 0 HA PRO A 474 2.668 24.253 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 474 4.082 25.748 -8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 474 2.455 26.144 -9.259 1.00 0.00 H new ATOM 0 HG2 PRO A 474 3.355 25.026 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 474 1.838 25.814 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 474 2.275 22.999 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 474 0.787 23.777 -7.233 1.00 0.00 H new ATOM 1156 N GLU A 475 4.709 23.100 -10.955 1.00 0.00 N ATOM 1157 CA GLU A 475 5.978 22.452 -11.242 1.00 0.00 C ATOM 1158 C GLU A 475 7.140 23.392 -10.916 1.00 0.00 C ATOM 1159 O GLU A 475 8.222 22.941 -10.543 1.00 0.00 O ATOM 1160 CB GLU A 475 6.040 21.989 -12.699 1.00 0.00 C ATOM 1161 CG GLU A 475 7.487 21.759 -13.140 1.00 0.00 C ATOM 1162 CD GLU A 475 7.589 20.555 -14.079 1.00 0.00 C ATOM 1163 OE1 GLU A 475 7.753 19.435 -13.549 1.00 0.00 O ATOM 1164 OE2 GLU A 475 7.500 20.782 -15.305 1.00 0.00 O ATOM 0 H GLU A 475 4.138 23.302 -11.776 1.00 0.00 H new ATOM 0 HA GLU A 475 6.063 21.568 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.470 21.068 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 475 5.574 22.736 -13.342 1.00 0.00 H new ATOM 0 HG2 GLU A 475 7.864 22.650 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 475 8.116 21.597 -12.265 1.00 0.00 H new ATOM 1171 N ASN A 476 6.877 24.681 -11.067 1.00 0.00 N ATOM 1172 CA ASN A 476 7.887 25.689 -10.793 1.00 0.00 C ATOM 1173 C ASN A 476 8.110 25.783 -9.282 1.00 0.00 C ATOM 1174 O ASN A 476 9.012 26.485 -8.827 1.00 0.00 O ATOM 1175 CB ASN A 476 7.443 27.065 -11.292 1.00 0.00 C ATOM 1176 CG ASN A 476 6.017 27.380 -10.836 1.00 0.00 C ATOM 1177 OD1 ASN A 476 5.924 27.738 -9.559 1.00 0.00 O flip ATOM 1178 ND2 ASN A 476 5.064 27.302 -11.594 1.00 0.00 N flip ATOM 0 H ASN A 476 5.978 25.051 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 476 8.802 25.398 -11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 476 8.125 27.829 -10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 476 7.496 27.095 -12.380 1.00 0.00 H new ATOM 0 HD21 ASN A 476 5.206 27.021 -12.564 1.00 0.00 H new ATOM 0 HD22 ASN A 476 4.126 27.518 -11.258 1.00 0.00 H new ATOM 1185 N PHE A 477 7.273 25.067 -8.547 1.00 0.00 N ATOM 1186 CA PHE A 477 7.368 25.061 -7.097 1.00 0.00 C ATOM 1187 C PHE A 477 7.940 23.736 -6.590 1.00 0.00 C ATOM 1188 O PHE A 477 8.064 23.530 -5.383 1.00 0.00 O ATOM 1189 CB PHE A 477 5.947 25.229 -6.555 1.00 0.00 C ATOM 1190 CG PHE A 477 5.660 24.410 -5.295 1.00 0.00 C ATOM 1191 CD1 PHE A 477 5.375 23.084 -5.397 1.00 0.00 C ATOM 1192 CD2 PHE A 477 5.689 25.008 -4.074 1.00 0.00 C ATOM 1193 CE1 PHE A 477 5.109 22.324 -4.227 1.00 0.00 C ATOM 1194 CE2 PHE A 477 5.423 24.248 -2.905 1.00 0.00 C ATOM 1195 CZ PHE A 477 5.139 22.922 -3.006 1.00 0.00 C ATOM 0 H PHE A 477 6.526 24.487 -8.928 1.00 0.00 H new ATOM 0 HA PHE A 477 8.028 25.862 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 477 5.774 26.283 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 477 5.237 24.943 -7.331 1.00 0.00 H new ATOM 0 HD1 PHE A 477 5.351 22.609 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 477 5.914 26.061 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 477 4.883 21.271 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 477 5.446 24.723 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 477 4.937 22.344 -2.116 1.00 0.00 H new ATOM 1205 N THR A 478 8.275 22.872 -7.537 1.00 0.00 N ATOM 1206 CA THR A 478 8.831 21.572 -7.201 1.00 0.00 C ATOM 1207 C THR A 478 10.108 21.315 -8.004 1.00 0.00 C ATOM 1208 O THR A 478 10.523 22.154 -8.802 1.00 0.00 O ATOM 1209 CB THR A 478 7.746 20.519 -7.432 1.00 0.00 C ATOM 1210 OG1 THR A 478 7.015 21.013 -8.551 1.00 0.00 O ATOM 1211 CG2 THR A 478 6.715 20.483 -6.301 1.00 0.00 C ATOM 0 H THR A 478 8.172 23.047 -8.537 1.00 0.00 H new ATOM 0 HA THR A 478 9.128 21.528 -6.153 1.00 0.00 H new ATOM 0 HB THR A 478 8.209 19.537 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 478 6.091 20.690 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 478 5.967 19.719 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 478 7.214 20.250 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 478 6.228 21.455 -6.222 1.00 0.00 H new ATOM 1219 N GLU A 479 10.694 20.151 -7.766 1.00 0.00 N ATOM 1220 CA GLU A 479 11.915 19.773 -8.458 1.00 0.00 C ATOM 1221 C GLU A 479 11.746 18.406 -9.124 1.00 0.00 C ATOM 1222 O GLU A 479 11.102 17.517 -8.569 1.00 0.00 O ATOM 1223 CB GLU A 479 13.109 19.773 -7.502 1.00 0.00 C ATOM 1224 CG GLU A 479 14.414 20.044 -8.254 1.00 0.00 C ATOM 1225 CD GLU A 479 15.615 19.983 -7.308 1.00 0.00 C ATOM 1226 OE1 GLU A 479 15.715 20.894 -6.459 1.00 0.00 O ATOM 1227 OE2 GLU A 479 16.406 19.026 -7.456 1.00 0.00 O ATOM 0 H GLU A 479 10.346 19.457 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 479 12.113 20.512 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 479 12.964 20.532 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 479 13.172 18.811 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 479 14.537 19.311 -9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 479 14.368 21.025 -8.727 1.00 0.00 H new ATOM 1234 N ARG A 480 12.335 18.282 -10.304 1.00 0.00 N ATOM 1235 CA ARG A 480 12.258 17.038 -11.052 1.00 0.00 C ATOM 1236 C ARG A 480 13.302 16.045 -10.539 1.00 0.00 C ATOM 1237 O ARG A 480 14.478 16.384 -10.415 1.00 0.00 O ATOM 1238 CB ARG A 480 12.483 17.279 -12.546 1.00 0.00 C ATOM 1239 CG ARG A 480 11.416 18.214 -13.118 1.00 0.00 C ATOM 1240 CD ARG A 480 11.009 17.785 -14.529 1.00 0.00 C ATOM 1241 NE ARG A 480 11.112 18.933 -15.457 1.00 0.00 N ATOM 1242 CZ ARG A 480 12.270 19.464 -15.869 1.00 0.00 C ATOM 1243 NH1 ARG A 480 13.432 18.955 -15.438 1.00 0.00 N ATOM 1244 NH2 ARG A 480 12.267 20.506 -16.712 1.00 0.00 N ATOM 0 H ARG A 480 12.868 19.022 -10.761 1.00 0.00 H new ATOM 0 HA ARG A 480 11.259 16.626 -10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 480 13.472 17.710 -12.703 1.00 0.00 H new ATOM 0 HB3 ARG A 480 12.462 16.328 -13.079 1.00 0.00 H new ATOM 0 HG2 ARG A 480 10.541 18.214 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 480 11.797 19.235 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 480 11.651 16.972 -14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 480 9.988 17.403 -14.522 1.00 0.00 H new ATOM 0 HE ARG A 480 10.246 19.346 -15.805 1.00 0.00 H new ATOM 0 HH11 ARG A 480 13.435 18.163 -14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 480 14.314 19.360 -15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 480 11.383 20.894 -17.040 1.00 0.00 H new ATOM 0 HH22 ARG A 480 13.149 20.911 -17.026 1.00 0.00 H new ATOM 1258 N VAL A 481 12.835 14.838 -10.255 1.00 0.00 N ATOM 1259 CA VAL A 481 13.714 13.793 -9.758 1.00 0.00 C ATOM 1260 C VAL A 481 13.954 12.765 -10.866 1.00 0.00 C ATOM 1261 O VAL A 481 13.018 12.112 -11.325 1.00 0.00 O ATOM 1262 CB VAL A 481 13.127 13.176 -8.487 1.00 0.00 C ATOM 1263 CG1 VAL A 481 14.053 12.095 -7.925 1.00 0.00 C ATOM 1264 CG2 VAL A 481 12.840 14.251 -7.438 1.00 0.00 C ATOM 0 H VAL A 481 11.859 14.560 -10.360 1.00 0.00 H new ATOM 0 HA VAL A 481 14.684 14.208 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 481 12.181 12.704 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 481 13.613 11.672 -7.022 1.00 0.00 H new ATOM 0 HG12 VAL A 481 14.185 11.308 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 481 15.021 12.534 -7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 481 12.423 13.786 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 481 13.766 14.765 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 481 12.125 14.970 -7.839 1.00 0.00 H new