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 145:sc= -2.09 (180deg=-4.07!) USER MOD Single : A 413 LYS NZ :NH3+ 175:sc= -4.5! (180deg=-4.77!) USER MOD Single : A 415 GLN : amide:sc= -3.3 K(o=-3.3,f=-0.55) USER MOD Single : A 417 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2.1!) USER MOD Single : A 418 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.24) USER MOD Single : A 420 TYR OH : rot 79:sc= -0.161 USER MOD Single : A 421 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 THR OG1 : rot 48:sc= 0.418 USER MOD Single : A 425 THR OG1 : rot -37:sc= 0.992 USER MOD Single : A 429 GLN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.54) USER MOD Single : A 443 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.3!) USER MOD Single : A 447 GLN : amide:sc= -3.15 K(o=-3.1,f=-5.3) USER MOD Single : A 453 MET CE :methyl 142:sc= -3.39! (180deg=-5.71!) USER MOD Single : A 456 LYS NZ :NH3+ 162:sc= 1.25 (180deg=0.696) USER MOD Single : A 458 SER OG : rot 180:sc= 0 USER MOD Single : A 476 ASN : amide:sc= -0.954 K(o=-0.95,f=-0.14) USER MOD Single : A 478 THR OG1 : rot -87:sc= -0.516 USER MOD ----------------------------------------------------------------- ATOM 82 N PRO A 407 8.108 -9.361 0.879 1.00 0.00 N ATOM 83 CA PRO A 407 9.393 -9.919 0.491 1.00 0.00 C ATOM 84 C PRO A 407 9.619 -11.282 1.148 1.00 0.00 C ATOM 85 O PRO A 407 9.381 -11.447 2.343 1.00 0.00 O ATOM 86 CB PRO A 407 10.417 -8.879 0.913 1.00 0.00 C ATOM 87 CG PRO A 407 9.718 -7.995 1.933 1.00 0.00 C ATOM 88 CD PRO A 407 8.227 -8.279 1.852 1.00 0.00 C ATOM 0 HA PRO A 407 9.461 -10.114 -0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 407 11.299 -9.352 1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 407 10.756 -8.295 0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 407 10.092 -8.201 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 407 9.918 -6.943 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 407 7.827 -8.573 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 407 7.673 -7.397 1.533 1.00 0.00 H new ATOM 96 N PRO A 408 10.089 -12.250 0.316 1.00 0.00 N ATOM 97 CA PRO A 408 10.351 -13.594 0.803 1.00 0.00 C ATOM 98 C PRO A 408 11.636 -13.635 1.633 1.00 0.00 C ATOM 99 O PRO A 408 12.596 -12.927 1.334 1.00 0.00 O ATOM 100 CB PRO A 408 10.422 -14.458 -0.445 1.00 0.00 C ATOM 101 CG PRO A 408 10.661 -13.501 -1.602 1.00 0.00 C ATOM 102 CD PRO A 408 10.383 -12.092 -1.106 1.00 0.00 C ATOM 0 HA PRO A 408 9.575 -13.956 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 408 11.228 -15.188 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 408 9.497 -15.018 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 408 11.687 -13.584 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 408 10.010 -13.746 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 408 11.243 -11.440 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 408 9.543 -11.644 -1.637 1.00 0.00 H new ATOM 110 N GLY A 409 11.612 -14.472 2.660 1.00 0.00 N ATOM 111 CA GLY A 409 12.762 -14.615 3.536 1.00 0.00 C ATOM 112 C GLY A 409 12.726 -13.580 4.662 1.00 0.00 C ATOM 113 O GLY A 409 13.406 -13.736 5.675 1.00 0.00 O ATOM 0 H GLY A 409 10.814 -15.058 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.778 -15.619 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.680 -14.498 2.959 1.00 0.00 H new ATOM 117 N PHE A 410 11.926 -12.546 4.448 1.00 0.00 N ATOM 118 CA PHE A 410 11.792 -11.486 5.432 1.00 0.00 C ATOM 119 C PHE A 410 11.837 -12.050 6.854 1.00 0.00 C ATOM 120 O PHE A 410 11.457 -13.197 7.083 1.00 0.00 O ATOM 121 CB PHE A 410 10.430 -10.829 5.199 1.00 0.00 C ATOM 122 CG PHE A 410 9.911 -10.033 6.398 1.00 0.00 C ATOM 123 CD1 PHE A 410 10.426 -8.804 6.674 1.00 0.00 C ATOM 124 CD2 PHE A 410 8.934 -10.553 7.188 1.00 0.00 C ATOM 125 CE1 PHE A 410 9.943 -8.066 7.786 1.00 0.00 C ATOM 126 CE2 PHE A 410 8.452 -9.814 8.301 1.00 0.00 C ATOM 127 CZ PHE A 410 8.966 -8.586 8.576 1.00 0.00 C ATOM 0 H PHE A 410 11.363 -12.420 3.607 1.00 0.00 H new ATOM 0 HA PHE A 410 12.610 -10.774 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 410 10.501 -10.165 4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 410 9.704 -11.602 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 410 11.202 -8.390 6.047 1.00 0.00 H new ATOM 0 HD2 PHE A 410 8.524 -11.528 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 410 10.352 -7.091 8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 410 7.677 -10.228 8.929 1.00 0.00 H new ATOM 0 HZ PHE A 410 8.599 -8.024 9.422 1.00 0.00 H new ATOM 137 N MET A 411 12.305 -11.216 7.772 1.00 0.00 N ATOM 138 CA MET A 411 12.405 -11.617 9.165 1.00 0.00 C ATOM 139 C MET A 411 11.396 -10.856 10.028 1.00 0.00 C ATOM 140 O MET A 411 10.410 -11.429 10.488 1.00 0.00 O ATOM 141 CB MET A 411 13.821 -11.344 9.675 1.00 0.00 C ATOM 142 CG MET A 411 14.856 -12.128 8.865 1.00 0.00 C ATOM 143 SD MET A 411 16.423 -12.133 9.718 1.00 0.00 S ATOM 144 CE MET A 411 17.508 -11.670 8.378 1.00 0.00 C ATOM 0 H MET A 411 12.619 -10.265 7.578 1.00 0.00 H new ATOM 0 HA MET A 411 12.184 -12.682 9.234 1.00 0.00 H new ATOM 0 HB2 MET A 411 14.035 -10.277 9.610 1.00 0.00 H new ATOM 0 HB3 MET A 411 13.892 -11.620 10.727 1.00 0.00 H new ATOM 0 HG2 MET A 411 14.512 -13.151 8.713 1.00 0.00 H new ATOM 0 HG3 MET A 411 14.972 -11.681 7.878 1.00 0.00 H new ATOM 0 HE1 MET A 411 18.316 -11.048 8.763 1.00 0.00 H new ATOM 0 HE2 MET A 411 17.926 -12.567 7.922 1.00 0.00 H new ATOM 0 HE3 MET A 411 16.945 -11.111 7.630 1.00 0.00 H new ATOM 154 N PHE A 412 11.678 -9.576 10.221 1.00 0.00 N ATOM 155 CA PHE A 412 10.808 -8.730 11.020 1.00 0.00 C ATOM 156 C PHE A 412 11.082 -7.249 10.749 1.00 0.00 C ATOM 157 O PHE A 412 11.948 -6.912 9.943 1.00 0.00 O ATOM 158 CB PHE A 412 11.115 -9.033 12.488 1.00 0.00 C ATOM 159 CG PHE A 412 12.608 -9.062 12.818 1.00 0.00 C ATOM 160 CD1 PHE A 412 13.306 -7.898 12.915 1.00 0.00 C ATOM 161 CD2 PHE A 412 13.239 -10.251 13.014 1.00 0.00 C ATOM 162 CE1 PHE A 412 14.692 -7.925 13.221 1.00 0.00 C ATOM 163 CE2 PHE A 412 14.625 -10.278 13.320 1.00 0.00 C ATOM 164 CZ PHE A 412 15.323 -9.114 13.417 1.00 0.00 C ATOM 0 H PHE A 412 12.497 -9.104 9.838 1.00 0.00 H new ATOM 0 HA PHE A 412 9.765 -8.930 10.772 1.00 0.00 H new ATOM 0 HB2 PHE A 412 10.630 -8.283 13.112 1.00 0.00 H new ATOM 0 HB3 PHE A 412 10.677 -9.996 12.749 1.00 0.00 H new ATOM 0 HD1 PHE A 412 12.806 -6.954 12.759 1.00 0.00 H new ATOM 0 HD2 PHE A 412 12.685 -11.175 12.937 1.00 0.00 H new ATOM 0 HE1 PHE A 412 15.246 -7.001 13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 412 15.125 -11.222 13.476 1.00 0.00 H new ATOM 0 HZ PHE A 412 16.377 -9.134 13.649 1.00 0.00 H new ATOM 174 N LYS A 413 10.327 -6.405 11.436 1.00 0.00 N ATOM 175 CA LYS A 413 10.478 -4.968 11.280 1.00 0.00 C ATOM 176 C LYS A 413 11.379 -4.430 12.392 1.00 0.00 C ATOM 177 O LYS A 413 11.381 -4.956 13.504 1.00 0.00 O ATOM 178 CB LYS A 413 9.108 -4.290 11.216 1.00 0.00 C ATOM 179 CG LYS A 413 9.182 -2.977 10.433 1.00 0.00 C ATOM 180 CD LYS A 413 8.462 -1.852 11.178 1.00 0.00 C ATOM 181 CE LYS A 413 9.438 -1.059 12.049 1.00 0.00 C ATOM 182 NZ LYS A 413 8.727 -0.433 13.187 1.00 0.00 N ATOM 0 H LYS A 413 9.609 -6.688 12.102 1.00 0.00 H new ATOM 0 HA LYS A 413 10.967 -4.737 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 413 8.389 -4.959 10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 413 8.747 -4.095 12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 413 10.225 -2.703 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 413 8.734 -3.111 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 413 7.984 -1.184 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 413 7.671 -2.271 11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 413 10.222 -1.719 12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 413 9.927 -0.290 11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 9.415 0.030 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 8.054 0.274 12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 8.211 -1.163 13.718 1.00 0.00 H new ATOM 196 N VAL A 414 12.125 -3.388 12.055 1.00 0.00 N ATOM 197 CA VAL A 414 13.029 -2.773 13.011 1.00 0.00 C ATOM 198 C VAL A 414 12.810 -1.259 13.012 1.00 0.00 C ATOM 199 O VAL A 414 12.157 -0.722 12.119 1.00 0.00 O ATOM 200 CB VAL A 414 14.473 -3.169 12.696 1.00 0.00 C ATOM 201 CG1 VAL A 414 14.567 -4.651 12.330 1.00 0.00 C ATOM 202 CG2 VAL A 414 15.051 -2.291 11.584 1.00 0.00 C ATOM 0 H VAL A 414 12.121 -2.954 11.132 1.00 0.00 H new ATOM 0 HA VAL A 414 12.821 -3.132 14.019 1.00 0.00 H new ATOM 0 HB VAL A 414 15.069 -3.008 13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 414 15.604 -4.907 12.111 1.00 0.00 H new ATOM 0 HG12 VAL A 414 14.213 -5.255 13.165 1.00 0.00 H new ATOM 0 HG13 VAL A 414 13.951 -4.849 11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 414 16.078 -2.593 11.379 1.00 0.00 H new ATOM 0 HG22 VAL A 414 14.452 -2.406 10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 414 15.035 -1.248 11.899 1.00 0.00 H new ATOM 212 N GLN A 415 13.370 -0.613 14.025 1.00 0.00 N ATOM 213 CA GLN A 415 13.244 0.829 14.153 1.00 0.00 C ATOM 214 C GLN A 415 14.612 1.459 14.426 1.00 0.00 C ATOM 215 O GLN A 415 15.294 1.083 15.378 1.00 0.00 O ATOM 216 CB GLN A 415 12.243 1.197 15.251 1.00 0.00 C ATOM 217 CG GLN A 415 12.268 2.700 15.534 1.00 0.00 C ATOM 218 CD GLN A 415 11.036 3.389 14.944 1.00 0.00 C ATOM 219 OE1 GLN A 415 9.903 3.095 15.288 1.00 0.00 O ATOM 220 NE2 GLN A 415 11.319 4.321 14.037 1.00 0.00 N ATOM 0 H GLN A 415 13.912 -1.061 14.764 1.00 0.00 H new ATOM 0 HA GLN A 415 12.863 1.226 13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 415 11.240 0.897 14.949 1.00 0.00 H new ATOM 0 HB3 GLN A 415 12.479 0.648 16.162 1.00 0.00 H new ATOM 0 HG2 GLN A 415 12.304 2.871 16.610 1.00 0.00 H new ATOM 0 HG3 GLN A 415 13.172 3.138 15.111 1.00 0.00 H new ATOM 0 HE21 GLN A 415 12.290 4.518 13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 415 10.565 4.838 13.585 1.00 0.00 H new ATOM 229 N ALA A 416 14.972 2.406 13.572 1.00 0.00 N ATOM 230 CA ALA A 416 16.246 3.091 13.709 1.00 0.00 C ATOM 231 C ALA A 416 16.196 4.014 14.928 1.00 0.00 C ATOM 232 O ALA A 416 15.132 4.517 15.287 1.00 0.00 O ATOM 233 CB ALA A 416 16.560 3.849 12.417 1.00 0.00 C ATOM 0 H ALA A 416 14.404 2.715 12.783 1.00 0.00 H new ATOM 0 HA ALA A 416 17.051 2.374 13.871 1.00 0.00 H new ATOM 0 HB1 ALA A 416 17.516 4.363 12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 416 16.614 3.145 11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 416 15.774 4.579 12.224 1.00 0.00 H new ATOM 239 N GLN A 417 17.359 4.208 15.532 1.00 0.00 N ATOM 240 CA GLN A 417 17.461 5.061 16.704 1.00 0.00 C ATOM 241 C GLN A 417 18.420 6.222 16.433 1.00 0.00 C ATOM 242 O GLN A 417 18.605 7.091 17.284 1.00 0.00 O ATOM 243 CB GLN A 417 17.903 4.259 17.929 1.00 0.00 C ATOM 244 CG GLN A 417 17.397 2.817 17.853 1.00 0.00 C ATOM 245 CD GLN A 417 17.728 2.051 19.136 1.00 0.00 C ATOM 246 OE1 GLN A 417 17.274 2.379 20.220 1.00 0.00 O ATOM 247 NE2 GLN A 417 18.542 1.016 18.953 1.00 0.00 N ATOM 0 H GLN A 417 18.239 3.789 15.232 1.00 0.00 H new ATOM 0 HA GLN A 417 16.474 5.472 16.917 1.00 0.00 H new ATOM 0 HB2 GLN A 417 18.991 4.263 17.998 1.00 0.00 H new ATOM 0 HB3 GLN A 417 17.525 4.734 18.834 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.319 2.814 17.691 1.00 0.00 H new ATOM 0 HG3 GLN A 417 17.849 2.314 16.998 1.00 0.00 H new ATOM 0 HE21 GLN A 417 18.886 0.797 18.018 1.00 0.00 H new ATOM 0 HE22 GLN A 417 18.823 0.441 19.748 1.00 0.00 H new ATOM 256 N HIS A 418 19.005 6.200 15.244 1.00 0.00 N ATOM 257 CA HIS A 418 19.940 7.240 14.851 1.00 0.00 C ATOM 258 C HIS A 418 19.790 7.526 13.355 1.00 0.00 C ATOM 259 O HIS A 418 19.106 6.791 12.645 1.00 0.00 O ATOM 260 CB HIS A 418 21.370 6.861 15.242 1.00 0.00 C ATOM 261 CG HIS A 418 21.595 6.770 16.732 1.00 0.00 C ATOM 262 ND1 HIS A 418 22.065 7.832 17.485 1.00 0.00 N ATOM 263 CD2 HIS A 418 21.410 5.735 17.600 1.00 0.00 C ATOM 264 CE1 HIS A 418 22.156 7.441 18.748 1.00 0.00 C ATOM 265 NE2 HIS A 418 21.750 6.141 18.817 1.00 0.00 N ATOM 0 H HIS A 418 18.849 5.478 14.540 1.00 0.00 H new ATOM 0 HA HIS A 418 19.711 8.161 15.387 1.00 0.00 H new ATOM 0 HB2 HIS A 418 21.618 5.901 14.788 1.00 0.00 H new ATOM 0 HB3 HIS A 418 22.057 7.598 14.825 1.00 0.00 H new ATOM 0 HD2 HIS A 418 21.048 4.751 17.341 1.00 0.00 H new ATOM 0 HE1 HIS A 418 22.493 8.046 19.577 1.00 0.00 H new ATOM 0 HE2 HIS A 418 21.714 5.574 19.664 1.00 0.00 H new ATOM 273 N ASP A 419 20.441 8.595 12.922 1.00 0.00 N ATOM 274 CA ASP A 419 20.389 8.987 11.524 1.00 0.00 C ATOM 275 C ASP A 419 21.741 8.700 10.867 1.00 0.00 C ATOM 276 O ASP A 419 22.697 9.451 11.054 1.00 0.00 O ATOM 277 CB ASP A 419 20.102 10.483 11.382 1.00 0.00 C ATOM 278 CG ASP A 419 20.646 11.356 12.514 1.00 0.00 C ATOM 279 OD1 ASP A 419 20.074 11.270 13.622 1.00 0.00 O ATOM 280 OD2 ASP A 419 21.622 12.091 12.246 1.00 0.00 O ATOM 0 H ASP A 419 21.007 9.202 13.515 1.00 0.00 H new ATOM 0 HA ASP A 419 19.591 8.420 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 419 20.525 10.831 10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 419 19.023 10.626 11.319 1.00 0.00 H new ATOM 285 N TYR A 420 21.777 7.612 10.112 1.00 0.00 N ATOM 286 CA TYR A 420 22.995 7.217 9.427 1.00 0.00 C ATOM 287 C TYR A 420 22.862 7.411 7.915 1.00 0.00 C ATOM 288 O TYR A 420 22.176 6.640 7.245 1.00 0.00 O ATOM 289 CB TYR A 420 23.182 5.728 9.724 1.00 0.00 C ATOM 290 CG TYR A 420 23.868 4.950 8.599 1.00 0.00 C ATOM 291 CD1 TYR A 420 25.195 5.188 8.304 1.00 0.00 C ATOM 292 CD2 TYR A 420 23.159 4.011 7.878 1.00 0.00 C ATOM 293 CE1 TYR A 420 25.840 4.456 7.245 1.00 0.00 C ATOM 294 CE2 TYR A 420 23.804 3.279 6.819 1.00 0.00 C ATOM 295 CZ TYR A 420 25.113 3.537 6.555 1.00 0.00 C ATOM 296 OH TYR A 420 25.723 2.846 5.555 1.00 0.00 O ATOM 0 H TYR A 420 20.982 6.992 9.960 1.00 0.00 H new ATOM 0 HA TYR A 420 23.838 7.820 9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 420 23.769 5.621 10.636 1.00 0.00 H new ATOM 0 HB3 TYR A 420 22.207 5.282 9.918 1.00 0.00 H new ATOM 0 HD1 TYR A 420 25.750 5.923 8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 420 22.120 3.825 8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 420 26.878 4.633 7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 420 23.260 2.542 6.247 1.00 0.00 H new ATOM 0 HH TYR A 420 26.262 2.123 5.939 1.00 0.00 H new ATOM 306 N THR A 421 23.529 8.444 7.422 1.00 0.00 N ATOM 307 CA THR A 421 23.494 8.748 6.002 1.00 0.00 C ATOM 308 C THR A 421 24.449 7.831 5.235 1.00 0.00 C ATOM 309 O THR A 421 25.664 7.913 5.406 1.00 0.00 O ATOM 310 CB THR A 421 23.810 10.235 5.829 1.00 0.00 C ATOM 311 OG1 THR A 421 22.565 10.885 6.070 1.00 0.00 O ATOM 312 CG2 THR A 421 24.146 10.598 4.381 1.00 0.00 C ATOM 0 H THR A 421 24.097 9.081 7.981 1.00 0.00 H new ATOM 0 HA THR A 421 22.506 8.559 5.582 1.00 0.00 H new ATOM 0 HB THR A 421 24.646 10.506 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 421 22.679 11.854 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 421 24.362 11.664 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 421 25.018 10.030 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 421 23.298 10.359 3.740 1.00 0.00 H new ATOM 320 N ALA A 422 23.863 6.978 4.408 1.00 0.00 N ATOM 321 CA ALA A 422 24.647 6.046 3.615 1.00 0.00 C ATOM 322 C ALA A 422 24.612 6.477 2.147 1.00 0.00 C ATOM 323 O ALA A 422 23.547 6.517 1.534 1.00 0.00 O ATOM 324 CB ALA A 422 24.112 4.627 3.819 1.00 0.00 C ATOM 0 H ALA A 422 22.855 6.913 4.270 1.00 0.00 H new ATOM 0 HA ALA A 422 25.689 6.051 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 422 24.700 3.928 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 422 24.186 4.358 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 422 23.069 4.583 3.505 1.00 0.00 H new ATOM 330 N THR A 423 25.790 6.789 1.627 1.00 0.00 N ATOM 331 CA THR A 423 25.908 7.215 0.243 1.00 0.00 C ATOM 332 C THR A 423 26.724 6.201 -0.560 1.00 0.00 C ATOM 333 O THR A 423 27.951 6.277 -0.598 1.00 0.00 O ATOM 334 CB THR A 423 26.507 8.623 0.232 1.00 0.00 C ATOM 335 OG1 THR A 423 27.655 8.519 1.068 1.00 0.00 O ATOM 336 CG2 THR A 423 25.617 9.644 0.945 1.00 0.00 C ATOM 0 H THR A 423 26.671 6.755 2.139 1.00 0.00 H new ATOM 0 HA THR A 423 24.933 7.257 -0.243 1.00 0.00 H new ATOM 0 HB THR A 423 26.669 8.940 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 423 28.173 7.727 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 423 26.088 10.626 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 423 24.646 9.689 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 423 25.481 9.345 1.984 1.00 0.00 H new ATOM 344 N ASP A 424 26.010 5.274 -1.182 1.00 0.00 N ATOM 345 CA ASP A 424 26.654 4.246 -1.982 1.00 0.00 C ATOM 346 C ASP A 424 25.786 3.940 -3.204 1.00 0.00 C ATOM 347 O ASP A 424 24.781 4.609 -3.440 1.00 0.00 O ATOM 348 CB ASP A 424 26.820 2.951 -1.184 1.00 0.00 C ATOM 349 CG ASP A 424 28.024 2.095 -1.583 1.00 0.00 C ATOM 350 OD1 ASP A 424 29.071 2.701 -1.897 1.00 0.00 O ATOM 351 OD2 ASP A 424 27.869 0.855 -1.566 1.00 0.00 O ATOM 0 H ASP A 424 24.992 5.213 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 424 27.636 4.615 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 424 26.906 3.202 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 424 25.915 2.354 -1.297 1.00 0.00 H new ATOM 356 N THR A 425 26.206 2.928 -3.950 1.00 0.00 N ATOM 357 CA THR A 425 25.480 2.525 -5.142 1.00 0.00 C ATOM 358 C THR A 425 24.427 1.470 -4.795 1.00 0.00 C ATOM 359 O THR A 425 23.805 0.892 -5.684 1.00 0.00 O ATOM 360 CB THR A 425 26.499 2.048 -6.178 1.00 0.00 C ATOM 361 OG1 THR A 425 25.715 1.767 -7.334 1.00 0.00 O ATOM 362 CG2 THR A 425 27.119 0.698 -5.811 1.00 0.00 C ATOM 0 H THR A 425 27.040 2.375 -3.751 1.00 0.00 H new ATOM 0 HA THR A 425 24.927 3.362 -5.570 1.00 0.00 H new ATOM 0 HB THR A 425 27.287 2.794 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 425 24.859 1.376 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 425 27.835 0.406 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 425 27.630 0.781 -4.852 1.00 0.00 H new ATOM 0 HG23 THR A 425 26.335 -0.056 -5.740 1.00 0.00 H new ATOM 370 N ASP A 426 24.260 1.251 -3.498 1.00 0.00 N ATOM 371 CA ASP A 426 23.294 0.276 -3.022 1.00 0.00 C ATOM 372 C ASP A 426 23.356 0.207 -1.495 1.00 0.00 C ATOM 373 O ASP A 426 23.673 -0.838 -0.930 1.00 0.00 O ATOM 374 CB ASP A 426 23.603 -1.118 -3.571 1.00 0.00 C ATOM 375 CG ASP A 426 22.381 -2.016 -3.780 1.00 0.00 C ATOM 376 OD1 ASP A 426 21.395 -1.507 -4.355 1.00 0.00 O ATOM 377 OD2 ASP A 426 22.462 -3.191 -3.361 1.00 0.00 O ATOM 0 H ASP A 426 24.778 1.732 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 426 22.306 0.587 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 426 24.123 -1.010 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 426 24.290 -1.617 -2.887 1.00 0.00 H new ATOM 382 N GLU A 427 23.047 1.335 -0.871 1.00 0.00 N ATOM 383 CA GLU A 427 23.063 1.415 0.580 1.00 0.00 C ATOM 384 C GLU A 427 21.654 1.683 1.112 1.00 0.00 C ATOM 385 O GLU A 427 20.735 1.951 0.340 1.00 0.00 O ATOM 386 CB GLU A 427 24.043 2.488 1.058 1.00 0.00 C ATOM 387 CG GLU A 427 23.846 3.794 0.286 1.00 0.00 C ATOM 388 CD GLU A 427 22.386 4.248 0.340 1.00 0.00 C ATOM 389 OE1 GLU A 427 21.869 4.364 1.472 1.00 0.00 O ATOM 390 OE2 GLU A 427 21.820 4.470 -0.752 1.00 0.00 O ATOM 0 H GLU A 427 22.784 2.200 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 427 23.403 0.457 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 427 23.901 2.667 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 427 25.066 2.135 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 427 24.487 4.569 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 427 24.150 3.657 -0.752 1.00 0.00 H new ATOM 397 N LEU A 428 21.528 1.601 2.428 1.00 0.00 N ATOM 398 CA LEU A 428 20.246 1.831 3.073 1.00 0.00 C ATOM 399 C LEU A 428 20.376 2.998 4.053 1.00 0.00 C ATOM 400 O LEU A 428 21.077 2.895 5.059 1.00 0.00 O ATOM 401 CB LEU A 428 19.731 0.542 3.717 1.00 0.00 C ATOM 402 CG LEU A 428 18.211 0.376 3.763 1.00 0.00 C ATOM 403 CD1 LEU A 428 17.678 -0.165 2.435 1.00 0.00 C ATOM 404 CD2 LEU A 428 17.790 -0.496 4.947 1.00 0.00 C ATOM 0 H LEU A 428 22.292 1.378 3.066 1.00 0.00 H new ATOM 0 HA LEU A 428 19.494 2.114 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 428 20.153 -0.305 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 428 20.113 0.491 4.737 1.00 0.00 H new ATOM 0 HG LEU A 428 17.765 1.359 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 428 16.595 -0.274 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 428 17.929 0.528 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 428 18.129 -1.136 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 428 16.705 -0.598 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 428 18.246 -1.482 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 428 18.119 -0.031 5.876 1.00 0.00 H new ATOM 416 N GLN A 429 19.688 4.083 3.726 1.00 0.00 N ATOM 417 CA GLN A 429 19.717 5.269 4.566 1.00 0.00 C ATOM 418 C GLN A 429 18.713 5.133 5.711 1.00 0.00 C ATOM 419 O GLN A 429 17.557 4.774 5.489 1.00 0.00 O ATOM 420 CB GLN A 429 19.444 6.529 3.743 1.00 0.00 C ATOM 421 CG GLN A 429 20.022 7.768 4.430 1.00 0.00 C ATOM 422 CD GLN A 429 20.367 8.852 3.406 1.00 0.00 C ATOM 423 OE1 GLN A 429 19.781 9.921 3.374 1.00 0.00 O ATOM 424 NE2 GLN A 429 21.349 8.517 2.574 1.00 0.00 N ATOM 0 H GLN A 429 19.108 4.165 2.891 1.00 0.00 H new ATOM 0 HA GLN A 429 20.715 5.364 4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 429 19.882 6.421 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 429 18.370 6.653 3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 429 19.302 8.158 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 429 20.916 7.494 4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 429 21.798 7.605 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 429 21.654 9.172 1.854 1.00 0.00 H new ATOM 433 N LEU A 430 19.189 5.428 6.912 1.00 0.00 N ATOM 434 CA LEU A 430 18.347 5.343 8.093 1.00 0.00 C ATOM 435 C LEU A 430 18.326 6.701 8.798 1.00 0.00 C ATOM 436 O LEU A 430 19.350 7.379 8.878 1.00 0.00 O ATOM 437 CB LEU A 430 18.799 4.191 8.992 1.00 0.00 C ATOM 438 CG LEU A 430 18.221 2.814 8.658 1.00 0.00 C ATOM 439 CD1 LEU A 430 16.692 2.838 8.693 1.00 0.00 C ATOM 440 CD2 LEU A 430 18.756 2.305 7.318 1.00 0.00 C ATOM 0 H LEU A 430 20.148 5.726 7.092 1.00 0.00 H new ATOM 0 HA LEU A 430 17.319 5.113 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 430 19.886 4.127 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 430 18.535 4.434 10.021 1.00 0.00 H new ATOM 0 HG LEU A 430 18.549 2.111 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 430 16.307 1.847 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 430 16.355 3.126 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 430 16.323 3.558 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 430 18.330 1.325 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 430 18.478 3.002 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 430 19.842 2.225 7.366 1.00 0.00 H new ATOM 452 N LYS A 431 17.150 7.058 9.291 1.00 0.00 N ATOM 453 CA LYS A 431 16.983 8.323 9.986 1.00 0.00 C ATOM 454 C LYS A 431 16.486 8.056 11.409 1.00 0.00 C ATOM 455 O LYS A 431 15.531 7.307 11.606 1.00 0.00 O ATOM 456 CB LYS A 431 16.077 9.260 9.184 1.00 0.00 C ATOM 457 CG LYS A 431 14.619 8.803 9.250 1.00 0.00 C ATOM 458 CD LYS A 431 14.007 8.715 7.851 1.00 0.00 C ATOM 459 CE LYS A 431 12.654 8.002 7.887 1.00 0.00 C ATOM 460 NZ LYS A 431 11.564 8.943 7.544 1.00 0.00 N ATOM 0 H LYS A 431 16.303 6.493 9.223 1.00 0.00 H new ATOM 0 HA LYS A 431 17.939 8.839 10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 431 16.162 10.275 9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 431 16.406 9.289 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 431 14.561 7.830 9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 431 14.043 9.500 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 431 13.883 9.717 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 431 14.686 8.181 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 431 12.657 7.168 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 431 12.483 7.584 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 10.652 8.444 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 11.552 9.725 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 11.721 9.322 6.588 1.00 0.00 H new ATOM 474 N ALA A 432 17.157 8.684 12.363 1.00 0.00 N ATOM 475 CA ALA A 432 16.796 8.524 13.761 1.00 0.00 C ATOM 476 C ALA A 432 15.274 8.425 13.882 1.00 0.00 C ATOM 477 O ALA A 432 14.576 9.437 13.833 1.00 0.00 O ATOM 478 CB ALA A 432 17.370 9.687 14.574 1.00 0.00 C ATOM 0 H ALA A 432 17.949 9.305 12.195 1.00 0.00 H new ATOM 0 HA ALA A 432 17.220 7.604 14.163 1.00 0.00 H new ATOM 0 HB1 ALA A 432 17.099 9.567 15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 432 18.456 9.697 14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 432 16.965 10.627 14.200 1.00 0.00 H new ATOM 484 N GLY A 433 14.803 7.196 14.037 1.00 0.00 N ATOM 485 CA GLY A 433 13.377 6.951 14.166 1.00 0.00 C ATOM 486 C GLY A 433 12.764 6.564 12.818 1.00 0.00 C ATOM 487 O GLY A 433 11.770 7.152 12.393 1.00 0.00 O ATOM 0 H GLY A 433 15.385 6.359 14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 433 13.205 6.155 14.890 1.00 0.00 H new ATOM 0 HA3 GLY A 433 12.884 7.844 14.551 1.00 0.00 H new ATOM 491 N ASP A 434 13.381 5.579 12.184 1.00 0.00 N ATOM 492 CA ASP A 434 12.909 5.107 10.894 1.00 0.00 C ATOM 493 C ASP A 434 12.408 3.668 11.034 1.00 0.00 C ATOM 494 O ASP A 434 12.583 3.045 12.080 1.00 0.00 O ATOM 495 CB ASP A 434 14.034 5.117 9.858 1.00 0.00 C ATOM 496 CG ASP A 434 13.580 5.317 8.411 1.00 0.00 C ATOM 497 OD1 ASP A 434 12.439 4.902 8.112 1.00 0.00 O ATOM 498 OD2 ASP A 434 14.383 5.880 7.636 1.00 0.00 O ATOM 0 H ASP A 434 14.205 5.094 12.540 1.00 0.00 H new ATOM 0 HA ASP A 434 12.110 5.771 10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 434 14.737 5.909 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 434 14.578 4.175 9.925 1.00 0.00 H new ATOM 503 N VAL A 435 11.794 3.182 9.965 1.00 0.00 N ATOM 504 CA VAL A 435 11.266 1.828 9.956 1.00 0.00 C ATOM 505 C VAL A 435 11.953 1.026 8.849 1.00 0.00 C ATOM 506 O VAL A 435 11.936 1.426 7.686 1.00 0.00 O ATOM 507 CB VAL A 435 9.743 1.861 9.814 1.00 0.00 C ATOM 508 CG1 VAL A 435 9.073 2.151 11.158 1.00 0.00 C ATOM 509 CG2 VAL A 435 9.313 2.880 8.756 1.00 0.00 C ATOM 0 H VAL A 435 11.650 3.702 9.099 1.00 0.00 H new ATOM 0 HA VAL A 435 11.479 1.328 10.901 1.00 0.00 H new ATOM 0 HB VAL A 435 9.416 0.875 9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 435 7.991 2.169 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 435 9.340 1.373 11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 435 9.410 3.118 11.531 1.00 0.00 H new ATOM 0 HG21 VAL A 435 8.226 2.884 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 435 9.659 3.873 9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 435 9.748 2.611 7.793 1.00 0.00 H new ATOM 519 N VAL A 436 12.540 -0.092 9.250 1.00 0.00 N ATOM 520 CA VAL A 436 13.231 -0.955 8.306 1.00 0.00 C ATOM 521 C VAL A 436 12.863 -2.413 8.591 1.00 0.00 C ATOM 522 O VAL A 436 12.650 -2.789 9.742 1.00 0.00 O ATOM 523 CB VAL A 436 14.737 -0.695 8.367 1.00 0.00 C ATOM 524 CG1 VAL A 436 15.521 -1.878 7.793 1.00 0.00 C ATOM 525 CG2 VAL A 436 15.099 0.604 7.645 1.00 0.00 C ATOM 0 H VAL A 436 12.552 -0.420 10.216 1.00 0.00 H new ATOM 0 HA VAL A 436 12.918 -0.735 7.286 1.00 0.00 H new ATOM 0 HB VAL A 436 15.016 -0.584 9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 436 16.589 -1.668 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 436 15.298 -2.776 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 436 15.235 -2.034 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 436 16.175 0.765 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 436 14.799 0.535 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 436 14.581 1.439 8.117 1.00 0.00 H new ATOM 535 N LEU A 437 12.800 -3.193 7.522 1.00 0.00 N ATOM 536 CA LEU A 437 12.462 -4.601 7.642 1.00 0.00 C ATOM 537 C LEU A 437 13.710 -5.445 7.377 1.00 0.00 C ATOM 538 O LEU A 437 14.412 -5.230 6.390 1.00 0.00 O ATOM 539 CB LEU A 437 11.281 -4.948 6.734 1.00 0.00 C ATOM 540 CG LEU A 437 10.850 -3.859 5.749 1.00 0.00 C ATOM 541 CD1 LEU A 437 9.971 -4.440 4.639 1.00 0.00 C ATOM 542 CD2 LEU A 437 10.163 -2.702 6.477 1.00 0.00 C ATOM 0 H LEU A 437 12.977 -2.877 6.569 1.00 0.00 H new ATOM 0 HA LEU A 437 12.132 -4.828 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 437 11.535 -5.843 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 437 10.427 -5.201 7.362 1.00 0.00 H new ATOM 0 HG LEU A 437 11.744 -3.455 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 437 9.679 -3.645 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 437 10.529 -5.202 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 437 9.079 -4.887 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 437 9.867 -1.942 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 437 9.279 -3.073 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 437 10.853 -2.266 7.200 1.00 0.00 H new ATOM 554 N VAL A 438 13.949 -6.389 8.277 1.00 0.00 N ATOM 555 CA VAL A 438 15.101 -7.266 8.152 1.00 0.00 C ATOM 556 C VAL A 438 14.779 -8.384 7.159 1.00 0.00 C ATOM 557 O VAL A 438 13.857 -9.168 7.378 1.00 0.00 O ATOM 558 CB VAL A 438 15.510 -7.790 9.530 1.00 0.00 C ATOM 559 CG1 VAL A 438 16.395 -9.032 9.404 1.00 0.00 C ATOM 560 CG2 VAL A 438 16.209 -6.700 10.346 1.00 0.00 C ATOM 0 H VAL A 438 13.365 -6.565 9.095 1.00 0.00 H new ATOM 0 HA VAL A 438 15.958 -6.719 7.759 1.00 0.00 H new ATOM 0 HB VAL A 438 14.603 -8.077 10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 438 16.672 -9.384 10.398 1.00 0.00 H new ATOM 0 HG12 VAL A 438 15.849 -9.816 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 438 17.296 -8.781 8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 438 16.489 -7.099 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 438 17.104 -6.368 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 438 15.533 -5.856 10.480 1.00 0.00 H new ATOM 570 N ILE A 439 15.558 -8.423 6.088 1.00 0.00 N ATOM 571 CA ILE A 439 15.368 -9.433 5.060 1.00 0.00 C ATOM 572 C ILE A 439 16.706 -10.115 4.768 1.00 0.00 C ATOM 573 O ILE A 439 17.765 -9.516 4.949 1.00 0.00 O ATOM 574 CB ILE A 439 14.707 -8.820 3.824 1.00 0.00 C ATOM 575 CG1 ILE A 439 15.658 -7.853 3.116 1.00 0.00 C ATOM 576 CG2 ILE A 439 13.378 -8.155 4.185 1.00 0.00 C ATOM 577 CD1 ILE A 439 15.370 -6.406 3.520 1.00 0.00 C ATOM 0 H ILE A 439 16.322 -7.771 5.910 1.00 0.00 H new ATOM 0 HA ILE A 439 14.685 -10.208 5.408 1.00 0.00 H new ATOM 0 HB ILE A 439 14.484 -9.624 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 439 16.689 -8.105 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 439 15.554 -7.960 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 439 12.930 -7.728 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 439 12.703 -8.898 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 439 13.553 -7.365 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 439 16.060 -5.740 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 439 14.346 -6.150 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 439 15.499 -6.296 4.597 1.00 0.00 H new ATOM 589 N PRO A 440 16.612 -11.392 4.310 1.00 0.00 N ATOM 590 CA PRO A 440 17.802 -12.162 3.991 1.00 0.00 C ATOM 591 C PRO A 440 18.419 -11.697 2.670 1.00 0.00 C ATOM 592 O PRO A 440 17.794 -11.806 1.616 1.00 0.00 O ATOM 593 CB PRO A 440 17.336 -13.608 3.951 1.00 0.00 C ATOM 594 CG PRO A 440 15.825 -13.555 3.789 1.00 0.00 C ATOM 595 CD PRO A 440 15.375 -12.133 4.083 1.00 0.00 C ATOM 0 HA PRO A 440 18.596 -12.033 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 440 17.799 -14.145 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 440 17.613 -14.133 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 440 15.539 -13.845 2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 440 15.343 -14.257 4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 440 14.811 -11.716 3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 440 14.725 -12.096 4.957 1.00 0.00 H new ATOM 603 N PHE A 441 19.638 -11.188 2.770 1.00 0.00 N ATOM 604 CA PHE A 441 20.346 -10.705 1.597 1.00 0.00 C ATOM 605 C PHE A 441 20.521 -11.821 0.565 1.00 0.00 C ATOM 606 O PHE A 441 20.012 -12.926 0.747 1.00 0.00 O ATOM 607 CB PHE A 441 21.726 -10.241 2.067 1.00 0.00 C ATOM 608 CG PHE A 441 22.329 -11.105 3.177 1.00 0.00 C ATOM 609 CD1 PHE A 441 22.031 -12.430 3.245 1.00 0.00 C ATOM 610 CD2 PHE A 441 23.162 -10.547 4.096 1.00 0.00 C ATOM 611 CE1 PHE A 441 22.590 -13.232 4.275 1.00 0.00 C ATOM 612 CE2 PHE A 441 23.722 -11.349 5.126 1.00 0.00 C ATOM 613 CZ PHE A 441 23.424 -12.674 5.194 1.00 0.00 C ATOM 0 H PHE A 441 20.154 -11.100 3.646 1.00 0.00 H new ATOM 0 HA PHE A 441 19.783 -9.898 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 441 22.406 -10.236 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 441 21.651 -9.213 2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 441 21.369 -12.873 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 441 23.398 -9.494 4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 441 22.353 -14.284 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 441 24.384 -10.906 5.855 1.00 0.00 H new ATOM 0 HZ PHE A 441 23.849 -13.284 5.978 1.00 0.00 H new ATOM 623 N GLN A 442 21.243 -11.493 -0.497 1.00 0.00 N ATOM 624 CA GLN A 442 21.491 -12.454 -1.558 1.00 0.00 C ATOM 625 C GLN A 442 22.616 -13.410 -1.157 1.00 0.00 C ATOM 626 O GLN A 442 22.645 -14.559 -1.594 1.00 0.00 O ATOM 627 CB GLN A 442 21.818 -11.745 -2.874 1.00 0.00 C ATOM 628 CG GLN A 442 20.869 -12.192 -3.988 1.00 0.00 C ATOM 629 CD GLN A 442 20.889 -11.203 -5.155 1.00 0.00 C ATOM 630 OE1 GLN A 442 21.125 -11.557 -6.299 1.00 0.00 O ATOM 631 NE2 GLN A 442 20.629 -9.947 -4.804 1.00 0.00 N ATOM 0 H GLN A 442 21.664 -10.576 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 442 20.583 -13.037 -1.712 1.00 0.00 H new ATOM 0 HB2 GLN A 442 21.743 -10.666 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 442 22.848 -11.959 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 442 21.157 -13.182 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 442 19.856 -12.276 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 442 20.440 -9.719 -3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 442 20.619 -9.212 -5.511 1.00 0.00 H new ATOM 640 N ASN A 443 23.516 -12.899 -0.329 1.00 0.00 N ATOM 641 CA ASN A 443 24.640 -13.693 0.137 1.00 0.00 C ATOM 642 C ASN A 443 25.206 -13.068 1.413 1.00 0.00 C ATOM 643 O ASN A 443 25.237 -11.846 1.550 1.00 0.00 O ATOM 644 CB ASN A 443 25.758 -13.730 -0.907 1.00 0.00 C ATOM 645 CG ASN A 443 25.481 -14.795 -1.970 1.00 0.00 C ATOM 646 OD1 ASN A 443 24.720 -14.595 -2.903 1.00 0.00 O ATOM 647 ND2 ASN A 443 26.138 -15.936 -1.778 1.00 0.00 N ATOM 0 H ASN A 443 23.489 -11.945 0.031 1.00 0.00 H new ATOM 0 HA ASN A 443 24.284 -14.707 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 443 25.850 -12.753 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 443 26.710 -13.938 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 443 26.020 -16.709 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 443 26.760 -16.038 -0.976 1.00 0.00 H new ATOM 654 N PRO A 444 25.652 -13.958 2.340 1.00 0.00 N ATOM 655 CA PRO A 444 26.215 -13.507 3.601 1.00 0.00 C ATOM 656 C PRO A 444 27.628 -12.953 3.404 1.00 0.00 C ATOM 657 O PRO A 444 28.131 -12.212 4.246 1.00 0.00 O ATOM 658 CB PRO A 444 26.176 -14.726 4.508 1.00 0.00 C ATOM 659 CG PRO A 444 26.027 -15.926 3.588 1.00 0.00 C ATOM 660 CD PRO A 444 25.631 -15.413 2.213 1.00 0.00 C ATOM 0 HA PRO A 444 25.654 -12.682 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 444 27.087 -14.800 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 444 25.343 -14.665 5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 444 26.962 -16.483 3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 444 25.271 -16.610 3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 444 26.328 -15.754 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 444 24.642 -15.771 1.926 1.00 0.00 H new ATOM 668 N GLU A 445 28.227 -13.335 2.286 1.00 0.00 N ATOM 669 CA GLU A 445 29.572 -12.886 1.967 1.00 0.00 C ATOM 670 C GLU A 445 29.553 -11.419 1.533 1.00 0.00 C ATOM 671 O GLU A 445 30.597 -10.770 1.480 1.00 0.00 O ATOM 672 CB GLU A 445 30.203 -13.769 0.888 1.00 0.00 C ATOM 673 CG GLU A 445 29.533 -13.541 -0.468 1.00 0.00 C ATOM 674 CD GLU A 445 30.395 -12.648 -1.363 1.00 0.00 C ATOM 675 OE1 GLU A 445 30.695 -11.519 -0.918 1.00 0.00 O ATOM 676 OE2 GLU A 445 30.734 -13.114 -2.472 1.00 0.00 O ATOM 0 H GLU A 445 27.806 -13.950 1.590 1.00 0.00 H new ATOM 0 HA GLU A 445 30.185 -12.971 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 445 31.268 -13.552 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 445 30.111 -14.817 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 445 29.364 -14.499 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 445 28.556 -13.080 -0.322 1.00 0.00 H new ATOM 683 N GLU A 446 28.355 -10.939 1.234 1.00 0.00 N ATOM 684 CA GLU A 446 28.186 -9.561 0.807 1.00 0.00 C ATOM 685 C GLU A 446 27.777 -8.684 1.992 1.00 0.00 C ATOM 686 O GLU A 446 27.635 -7.470 1.851 1.00 0.00 O ATOM 687 CB GLU A 446 27.165 -9.459 -0.328 1.00 0.00 C ATOM 688 CG GLU A 446 27.497 -10.440 -1.454 1.00 0.00 C ATOM 689 CD GLU A 446 28.278 -9.747 -2.572 1.00 0.00 C ATOM 690 OE1 GLU A 446 29.427 -9.341 -2.294 1.00 0.00 O ATOM 691 OE2 GLU A 446 27.708 -9.639 -3.679 1.00 0.00 O ATOM 0 H GLU A 446 27.492 -11.480 1.279 1.00 0.00 H new ATOM 0 HA GLU A 446 29.141 -9.200 0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 446 26.166 -9.666 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 446 27.151 -8.442 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 446 28.082 -11.270 -1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 446 26.576 -10.862 -1.856 1.00 0.00 H new ATOM 698 N GLN A 447 27.600 -9.333 3.134 1.00 0.00 N ATOM 699 CA GLN A 447 27.210 -8.627 4.343 1.00 0.00 C ATOM 700 C GLN A 447 28.449 -8.226 5.146 1.00 0.00 C ATOM 701 O GLN A 447 29.486 -8.883 5.063 1.00 0.00 O ATOM 702 CB GLN A 447 26.259 -9.474 5.190 1.00 0.00 C ATOM 703 CG GLN A 447 25.322 -8.588 6.013 1.00 0.00 C ATOM 704 CD GLN A 447 25.093 -9.178 7.407 1.00 0.00 C ATOM 705 OE1 GLN A 447 24.029 -9.679 7.730 1.00 0.00 O ATOM 706 NE2 GLN A 447 26.149 -9.092 8.210 1.00 0.00 N ATOM 0 H GLN A 447 27.719 -10.340 3.247 1.00 0.00 H new ATOM 0 HA GLN A 447 26.678 -7.720 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 447 25.673 -10.127 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 447 26.834 -10.118 5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 447 25.747 -7.588 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 447 24.368 -8.484 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 447 27.010 -8.660 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 447 26.098 -9.458 9.161 1.00 0.00 H new ATOM 715 N ASP A 448 28.301 -7.151 5.905 1.00 0.00 N ATOM 716 CA ASP A 448 29.395 -6.655 6.723 1.00 0.00 C ATOM 717 C ASP A 448 29.162 -7.059 8.180 1.00 0.00 C ATOM 718 O ASP A 448 28.074 -7.511 8.536 1.00 0.00 O ATOM 719 CB ASP A 448 29.479 -5.128 6.664 1.00 0.00 C ATOM 720 CG ASP A 448 30.848 -4.541 7.012 1.00 0.00 C ATOM 721 OD1 ASP A 448 31.839 -5.028 6.426 1.00 0.00 O ATOM 722 OD2 ASP A 448 30.873 -3.620 7.856 1.00 0.00 O ATOM 0 H ASP A 448 27.440 -6.609 5.971 1.00 0.00 H new ATOM 0 HA ASP A 448 30.322 -7.083 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 448 29.206 -4.803 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 448 28.738 -4.712 7.347 1.00 0.00 H new ATOM 727 N GLU A 449 30.200 -6.882 8.983 1.00 0.00 N ATOM 728 CA GLU A 449 30.122 -7.224 10.393 1.00 0.00 C ATOM 729 C GLU A 449 29.481 -6.080 11.181 1.00 0.00 C ATOM 730 O GLU A 449 30.131 -5.074 11.463 1.00 0.00 O ATOM 731 CB GLU A 449 31.504 -7.567 10.952 1.00 0.00 C ATOM 732 CG GLU A 449 31.488 -8.923 11.661 1.00 0.00 C ATOM 733 CD GLU A 449 32.329 -9.950 10.900 1.00 0.00 C ATOM 734 OE1 GLU A 449 32.018 -10.167 9.709 1.00 0.00 O ATOM 735 OE2 GLU A 449 33.264 -10.494 11.527 1.00 0.00 O ATOM 0 H GLU A 449 31.100 -6.506 8.684 1.00 0.00 H new ATOM 0 HA GLU A 449 29.494 -8.109 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 449 32.234 -7.585 10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 449 31.821 -6.792 11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 449 31.873 -8.812 12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 449 30.462 -9.280 11.747 1.00 0.00 H new ATOM 742 N GLY A 450 28.213 -6.271 11.515 1.00 0.00 N ATOM 743 CA GLY A 450 27.477 -5.268 12.265 1.00 0.00 C ATOM 744 C GLY A 450 26.396 -4.618 11.398 1.00 0.00 C ATOM 745 O GLY A 450 25.574 -3.851 11.896 1.00 0.00 O ATOM 0 H GLY A 450 27.677 -7.106 11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 450 27.018 -5.728 13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 450 28.164 -4.504 12.629 1.00 0.00 H new ATOM 749 N TRP A 451 26.433 -4.950 10.116 1.00 0.00 N ATOM 750 CA TRP A 451 25.467 -4.409 9.175 1.00 0.00 C ATOM 751 C TRP A 451 24.817 -5.581 8.437 1.00 0.00 C ATOM 752 O TRP A 451 25.495 -6.539 8.067 1.00 0.00 O ATOM 753 CB TRP A 451 26.126 -3.401 8.232 1.00 0.00 C ATOM 754 CG TRP A 451 27.197 -2.534 8.897 1.00 0.00 C ATOM 755 CD1 TRP A 451 28.253 -2.936 9.618 1.00 0.00 C ATOM 756 CD2 TRP A 451 27.274 -1.093 8.874 1.00 0.00 C ATOM 757 NE1 TRP A 451 29.002 -1.864 10.059 1.00 0.00 N ATOM 758 CE2 TRP A 451 28.388 -0.708 9.592 1.00 0.00 C ATOM 759 CE3 TRP A 451 26.431 -0.147 8.265 1.00 0.00 C ATOM 760 CZ2 TRP A 451 28.760 0.630 9.770 1.00 0.00 C ATOM 761 CZ3 TRP A 451 26.817 1.186 8.452 1.00 0.00 C ATOM 762 CH2 TRP A 451 27.935 1.591 9.173 1.00 0.00 C ATOM 0 H TRP A 451 27.117 -5.587 9.707 1.00 0.00 H new ATOM 0 HA TRP A 451 24.689 -3.853 9.698 1.00 0.00 H new ATOM 0 HB2 TRP A 451 26.576 -3.940 7.398 1.00 0.00 H new ATOM 0 HB3 TRP A 451 25.356 -2.752 7.814 1.00 0.00 H new ATOM 0 HD1 TRP A 451 28.488 -3.969 9.828 1.00 0.00 H new ATOM 0 HE1 TRP A 451 29.850 -1.911 10.624 1.00 0.00 H new ATOM 0 HE3 TRP A 451 25.555 -0.426 7.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 451 29.636 0.906 10.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 451 26.203 1.954 8.005 1.00 0.00 H new ATOM 0 HH2 TRP A 451 28.166 2.641 9.272 1.00 0.00 H new ATOM 773 N LEU A 452 23.511 -5.468 8.245 1.00 0.00 N ATOM 774 CA LEU A 452 22.763 -6.506 7.558 1.00 0.00 C ATOM 775 C LEU A 452 21.937 -5.876 6.435 1.00 0.00 C ATOM 776 O LEU A 452 21.864 -4.653 6.325 1.00 0.00 O ATOM 777 CB LEU A 452 21.930 -7.315 8.555 1.00 0.00 C ATOM 778 CG LEU A 452 21.930 -6.806 9.998 1.00 0.00 C ATOM 779 CD1 LEU A 452 20.714 -7.329 10.764 1.00 0.00 C ATOM 780 CD2 LEU A 452 23.244 -7.153 10.701 1.00 0.00 C ATOM 0 H LEU A 452 22.952 -4.673 8.554 1.00 0.00 H new ATOM 0 HA LEU A 452 23.442 -7.220 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 452 20.900 -7.341 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 452 22.294 -8.342 8.553 1.00 0.00 H new ATOM 0 HG LEU A 452 21.853 -5.719 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 452 20.739 -6.952 11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 452 19.802 -6.989 10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 452 20.734 -8.419 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 452 23.218 -6.780 11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 452 23.376 -8.235 10.712 1.00 0.00 H new ATOM 0 HD23 LEU A 452 24.075 -6.691 10.168 1.00 0.00 H new ATOM 792 N MET A 453 21.335 -6.739 5.630 1.00 0.00 N ATOM 793 CA MET A 453 20.517 -6.282 4.520 1.00 0.00 C ATOM 794 C MET A 453 19.061 -6.097 4.952 1.00 0.00 C ATOM 795 O MET A 453 18.391 -7.061 5.318 1.00 0.00 O ATOM 796 CB MET A 453 20.586 -7.301 3.381 1.00 0.00 C ATOM 797 CG MET A 453 19.480 -7.051 2.353 1.00 0.00 C ATOM 798 SD MET A 453 20.170 -7.033 0.707 1.00 0.00 S ATOM 799 CE MET A 453 21.218 -5.592 0.825 1.00 0.00 C ATOM 0 H MET A 453 21.398 -7.753 5.725 1.00 0.00 H new ATOM 0 HA MET A 453 20.901 -5.320 4.182 1.00 0.00 H new ATOM 0 HB2 MET A 453 21.560 -7.242 2.894 1.00 0.00 H new ATOM 0 HB3 MET A 453 20.491 -8.309 3.784 1.00 0.00 H new ATOM 0 HG2 MET A 453 18.719 -7.828 2.429 1.00 0.00 H new ATOM 0 HG3 MET A 453 18.987 -6.101 2.560 1.00 0.00 H new ATOM 0 HE1 MET A 453 22.144 -5.770 0.278 1.00 0.00 H new ATOM 0 HE2 MET A 453 20.703 -4.732 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 453 21.448 -5.394 1.872 1.00 0.00 H new ATOM 809 N GLY A 454 18.614 -4.851 4.894 1.00 0.00 N ATOM 810 CA GLY A 454 17.250 -4.527 5.275 1.00 0.00 C ATOM 811 C GLY A 454 16.627 -3.533 4.292 1.00 0.00 C ATOM 812 O GLY A 454 17.316 -3.001 3.422 1.00 0.00 O ATOM 0 H GLY A 454 19.172 -4.054 4.589 1.00 0.00 H new ATOM 0 HA2 GLY A 454 16.651 -5.437 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 454 17.240 -4.105 6.280 1.00 0.00 H new ATOM 816 N VAL A 455 15.332 -3.312 4.463 1.00 0.00 N ATOM 817 CA VAL A 455 14.610 -2.392 3.602 1.00 0.00 C ATOM 818 C VAL A 455 13.747 -1.466 4.462 1.00 0.00 C ATOM 819 O VAL A 455 13.226 -1.880 5.496 1.00 0.00 O ATOM 820 CB VAL A 455 13.799 -3.172 2.565 1.00 0.00 C ATOM 821 CG1 VAL A 455 12.823 -4.136 3.244 1.00 0.00 C ATOM 822 CG2 VAL A 455 13.062 -2.223 1.618 1.00 0.00 C ATOM 0 H VAL A 455 14.764 -3.755 5.186 1.00 0.00 H new ATOM 0 HA VAL A 455 15.306 -1.764 3.045 1.00 0.00 H new ATOM 0 HB VAL A 455 14.496 -3.763 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 455 12.259 -4.678 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 455 13.379 -4.845 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 455 12.135 -3.573 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 455 12.494 -2.803 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 455 12.382 -1.593 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 455 13.785 -1.596 1.096 1.00 0.00 H new ATOM 832 N LYS A 456 13.623 -0.229 4.002 1.00 0.00 N ATOM 833 CA LYS A 456 12.833 0.759 4.717 1.00 0.00 C ATOM 834 C LYS A 456 11.351 0.550 4.394 1.00 0.00 C ATOM 835 O LYS A 456 11.013 -0.104 3.409 1.00 0.00 O ATOM 836 CB LYS A 456 13.336 2.171 4.410 1.00 0.00 C ATOM 837 CG LYS A 456 13.649 2.933 5.700 1.00 0.00 C ATOM 838 CD LYS A 456 14.950 3.726 5.565 1.00 0.00 C ATOM 839 CE LYS A 456 14.819 4.818 4.502 1.00 0.00 C ATOM 840 NZ LYS A 456 13.989 5.935 5.006 1.00 0.00 N ATOM 0 H LYS A 456 14.056 0.111 3.143 1.00 0.00 H new ATOM 0 HA LYS A 456 12.947 0.632 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 456 14.231 2.116 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 456 12.584 2.713 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 456 12.828 3.611 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 456 13.731 2.232 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 456 15.207 4.176 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 456 15.765 3.052 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 456 15.807 5.187 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 456 14.371 4.403 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 14.153 6.780 4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 12.984 5.670 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 14.246 6.141 5.993 1.00 0.00 H new ATOM 854 N GLU A 457 10.508 1.119 5.244 1.00 0.00 N ATOM 855 CA GLU A 457 9.071 1.004 5.062 1.00 0.00 C ATOM 856 C GLU A 457 8.662 1.569 3.701 1.00 0.00 C ATOM 857 O GLU A 457 7.747 1.054 3.060 1.00 0.00 O ATOM 858 CB GLU A 457 8.318 1.702 6.195 1.00 0.00 C ATOM 859 CG GLU A 457 6.807 1.667 5.952 1.00 0.00 C ATOM 860 CD GLU A 457 6.042 1.565 7.273 1.00 0.00 C ATOM 861 OE1 GLU A 457 6.559 0.874 8.177 1.00 0.00 O ATOM 862 OE2 GLU A 457 4.956 2.180 7.349 1.00 0.00 O ATOM 0 H GLU A 457 10.793 1.661 6.060 1.00 0.00 H new ATOM 0 HA GLU A 457 8.804 -0.052 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 457 8.549 1.217 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 457 8.653 2.736 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 457 6.500 2.566 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 457 6.557 0.818 5.316 1.00 0.00 H new ATOM 869 N SER A 458 9.359 2.622 3.299 1.00 0.00 N ATOM 870 CA SER A 458 9.079 3.264 2.026 1.00 0.00 C ATOM 871 C SER A 458 9.490 2.343 0.875 1.00 0.00 C ATOM 872 O SER A 458 8.730 2.150 -0.072 1.00 0.00 O ATOM 873 CB SER A 458 9.802 4.607 1.915 1.00 0.00 C ATOM 874 OG SER A 458 8.904 5.674 1.617 1.00 0.00 O ATOM 0 H SER A 458 10.117 3.047 3.833 1.00 0.00 H new ATOM 0 HA SER A 458 8.007 3.454 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 458 10.319 4.819 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 458 10.563 4.546 1.137 1.00 0.00 H new ATOM 0 HG SER A 458 9.404 6.515 1.556 1.00 0.00 H new ATOM 880 N ASP A 459 10.693 1.801 0.994 1.00 0.00 N ATOM 881 CA ASP A 459 11.215 0.905 -0.024 1.00 0.00 C ATOM 882 C ASP A 459 10.296 -0.312 -0.147 1.00 0.00 C ATOM 883 O ASP A 459 10.127 -0.860 -1.235 1.00 0.00 O ATOM 884 CB ASP A 459 12.613 0.407 0.344 1.00 0.00 C ATOM 885 CG ASP A 459 13.741 1.414 0.112 1.00 0.00 C ATOM 886 OD1 ASP A 459 13.407 2.583 -0.181 1.00 0.00 O ATOM 887 OD2 ASP A 459 14.912 0.994 0.234 1.00 0.00 O ATOM 0 H ASP A 459 11.322 1.965 1.780 1.00 0.00 H new ATOM 0 HA ASP A 459 11.265 1.456 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.614 0.119 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.825 -0.493 -0.233 1.00 0.00 H new ATOM 892 N TRP A 460 9.726 -0.699 0.985 1.00 0.00 N ATOM 893 CA TRP A 460 8.828 -1.841 1.019 1.00 0.00 C ATOM 894 C TRP A 460 7.744 -1.622 -0.038 1.00 0.00 C ATOM 895 O TRP A 460 7.438 -2.524 -0.815 1.00 0.00 O ATOM 896 CB TRP A 460 8.261 -2.051 2.424 1.00 0.00 C ATOM 897 CG TRP A 460 7.511 -3.373 2.601 1.00 0.00 C ATOM 898 CD1 TRP A 460 7.178 -4.266 1.658 1.00 0.00 C ATOM 899 CD2 TRP A 460 7.012 -3.919 3.840 1.00 0.00 C ATOM 900 NE1 TRP A 460 6.503 -5.342 2.197 1.00 0.00 N ATOM 901 CE2 TRP A 460 6.399 -5.125 3.566 1.00 0.00 C ATOM 902 CE3 TRP A 460 7.076 -3.411 5.149 1.00 0.00 C ATOM 903 CZ2 TRP A 460 5.804 -5.924 4.549 1.00 0.00 C ATOM 904 CZ3 TRP A 460 6.476 -4.221 6.121 1.00 0.00 C ATOM 905 CH2 TRP A 460 5.855 -5.437 5.861 1.00 0.00 C ATOM 0 H TRP A 460 9.869 -0.242 1.886 1.00 0.00 H new ATOM 0 HA TRP A 460 9.364 -2.760 0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 460 9.078 -2.009 3.144 1.00 0.00 H new ATOM 0 HB3 TRP A 460 7.586 -1.228 2.659 1.00 0.00 H new ATOM 0 HD1 TRP A 460 7.409 -4.157 0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 460 6.146 -6.149 1.685 1.00 0.00 H new ATOM 0 HE3 TRP A 460 7.550 -2.470 5.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 460 5.331 -6.865 4.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 460 6.497 -3.877 7.144 1.00 0.00 H new ATOM 0 HH2 TRP A 460 5.414 -6.004 6.667 1.00 0.00 H new ATOM 1075 N ARG A 470 16.926 -2.891 -2.345 1.00 0.00 N ATOM 1076 CA ARG A 470 17.743 -3.522 -1.322 1.00 0.00 C ATOM 1077 C ARG A 470 18.849 -2.570 -0.863 1.00 0.00 C ATOM 1078 O ARG A 470 19.326 -1.746 -1.642 1.00 0.00 O ATOM 1079 CB ARG A 470 18.375 -4.814 -1.843 1.00 0.00 C ATOM 1080 CG ARG A 470 17.306 -5.781 -2.356 1.00 0.00 C ATOM 1081 CD ARG A 470 17.590 -7.210 -1.891 1.00 0.00 C ATOM 1082 NE ARG A 470 17.815 -8.088 -3.061 1.00 0.00 N ATOM 1083 CZ ARG A 470 17.766 -9.427 -3.016 1.00 0.00 C ATOM 1084 NH1 ARG A 470 17.499 -10.049 -1.860 1.00 0.00 N ATOM 1085 NH2 ARG A 470 17.984 -10.142 -4.128 1.00 0.00 N ATOM 0 HA ARG A 470 17.094 -3.762 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 470 19.076 -4.582 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 470 18.948 -5.289 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 470 16.325 -5.467 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 470 17.274 -5.749 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 470 18.466 -7.223 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 470 16.752 -7.583 -1.302 1.00 0.00 H new ATOM 0 HE ARG A 470 18.020 -7.647 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 470 17.333 -9.504 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 470 17.462 -11.068 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 470 18.187 -9.668 -5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 470 17.947 -11.161 -4.095 1.00 0.00 H new ATOM 1099 N GLY A 471 19.224 -2.715 0.399 1.00 0.00 N ATOM 1100 CA GLY A 471 20.264 -1.877 0.971 1.00 0.00 C ATOM 1101 C GLY A 471 20.872 -2.530 2.215 1.00 0.00 C ATOM 1102 O GLY A 471 20.471 -3.627 2.603 1.00 0.00 O ATOM 0 H GLY A 471 18.826 -3.400 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 471 21.044 -1.702 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 471 19.849 -0.904 1.233 1.00 0.00 H new ATOM 1106 N VAL A 472 21.829 -1.829 2.804 1.00 0.00 N ATOM 1107 CA VAL A 472 22.495 -2.327 3.996 1.00 0.00 C ATOM 1108 C VAL A 472 22.391 -1.281 5.108 1.00 0.00 C ATOM 1109 O VAL A 472 22.344 -0.082 4.835 1.00 0.00 O ATOM 1110 CB VAL A 472 23.940 -2.707 3.667 1.00 0.00 C ATOM 1111 CG1 VAL A 472 24.831 -2.598 4.906 1.00 0.00 C ATOM 1112 CG2 VAL A 472 24.013 -4.109 3.060 1.00 0.00 C ATOM 0 H VAL A 472 22.159 -0.921 2.479 1.00 0.00 H new ATOM 0 HA VAL A 472 22.008 -3.233 4.355 1.00 0.00 H new ATOM 0 HB VAL A 472 24.312 -2.001 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 472 25.853 -2.874 4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 472 24.815 -1.573 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 472 24.461 -3.270 5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 472 25.051 -4.355 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 472 23.614 -4.834 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 472 23.426 -4.139 2.142 1.00 0.00 H new ATOM 1122 N PHE A 473 22.356 -1.773 6.338 1.00 0.00 N ATOM 1123 CA PHE A 473 22.258 -0.896 7.492 1.00 0.00 C ATOM 1124 C PHE A 473 22.798 -1.582 8.749 1.00 0.00 C ATOM 1125 O PHE A 473 22.669 -2.795 8.902 1.00 0.00 O ATOM 1126 CB PHE A 473 20.773 -0.585 7.693 1.00 0.00 C ATOM 1127 CG PHE A 473 19.966 -1.751 8.267 1.00 0.00 C ATOM 1128 CD1 PHE A 473 19.697 -2.838 7.496 1.00 0.00 C ATOM 1129 CD2 PHE A 473 19.517 -1.700 9.550 1.00 0.00 C ATOM 1130 CE1 PHE A 473 18.948 -3.920 8.029 1.00 0.00 C ATOM 1131 CE2 PHE A 473 18.767 -2.781 10.084 1.00 0.00 C ATOM 1132 CZ PHE A 473 18.499 -3.869 9.312 1.00 0.00 C ATOM 0 H PHE A 473 22.394 -2.768 6.560 1.00 0.00 H new ATOM 0 HA PHE A 473 22.844 0.008 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 473 20.679 0.272 8.360 1.00 0.00 H new ATOM 0 HB3 PHE A 473 20.340 -0.293 6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 473 20.053 -2.878 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 473 19.731 -0.837 10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 473 18.735 -4.783 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 473 18.409 -2.740 11.102 1.00 0.00 H new ATOM 0 HZ PHE A 473 17.930 -4.692 9.718 1.00 0.00 H new ATOM 1142 N PRO A 474 23.407 -0.753 9.639 1.00 0.00 N ATOM 1143 CA PRO A 474 23.967 -1.267 10.877 1.00 0.00 C ATOM 1144 C PRO A 474 22.862 -1.593 11.884 1.00 0.00 C ATOM 1145 O PRO A 474 22.117 -0.708 12.303 1.00 0.00 O ATOM 1146 CB PRO A 474 24.911 -0.179 11.363 1.00 0.00 C ATOM 1147 CG PRO A 474 24.498 1.088 10.633 1.00 0.00 C ATOM 1148 CD PRO A 474 23.578 0.689 9.490 1.00 0.00 C ATOM 0 HA PRO A 474 24.501 -2.207 10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 474 24.835 -0.050 12.443 1.00 0.00 H new ATOM 0 HB3 PRO A 474 25.948 -0.435 11.145 1.00 0.00 H new ATOM 0 HG2 PRO A 474 23.988 1.771 11.313 1.00 0.00 H new ATOM 0 HG3 PRO A 474 25.375 1.612 10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 474 22.622 1.210 9.551 1.00 0.00 H new ATOM 0 HD3 PRO A 474 24.016 0.938 8.523 1.00 0.00 H new ATOM 1156 N GLU A 475 22.792 -2.866 12.245 1.00 0.00 N ATOM 1157 CA GLU A 475 21.791 -3.320 13.195 1.00 0.00 C ATOM 1158 C GLU A 475 22.074 -2.741 14.582 1.00 0.00 C ATOM 1159 O GLU A 475 21.149 -2.458 15.342 1.00 0.00 O ATOM 1160 CB GLU A 475 21.731 -4.849 13.240 1.00 0.00 C ATOM 1161 CG GLU A 475 21.068 -5.334 14.531 1.00 0.00 C ATOM 1162 CD GLU A 475 20.211 -6.574 14.274 1.00 0.00 C ATOM 1163 OE1 GLU A 475 19.206 -6.429 13.545 1.00 0.00 O ATOM 1164 OE2 GLU A 475 20.579 -7.640 14.813 1.00 0.00 O ATOM 0 H GLU A 475 23.412 -3.597 11.897 1.00 0.00 H new ATOM 0 HA GLU A 475 20.816 -2.961 12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 475 21.174 -5.220 12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 475 22.739 -5.258 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 475 21.833 -5.563 15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 475 20.449 -4.539 14.947 1.00 0.00 H new ATOM 1171 N ASN A 476 23.358 -2.583 14.871 1.00 0.00 N ATOM 1172 CA ASN A 476 23.775 -2.042 16.154 1.00 0.00 C ATOM 1173 C ASN A 476 23.366 -0.571 16.240 1.00 0.00 C ATOM 1174 O ASN A 476 23.470 0.045 17.300 1.00 0.00 O ATOM 1175 CB ASN A 476 25.294 -2.121 16.317 1.00 0.00 C ATOM 1176 CG ASN A 476 26.007 -1.575 15.078 1.00 0.00 C ATOM 1177 OD1 ASN A 476 26.222 -0.383 14.929 1.00 0.00 O ATOM 1178 ND2 ASN A 476 26.361 -2.510 14.202 1.00 0.00 N ATOM 0 H ASN A 476 24.123 -2.820 14.239 1.00 0.00 H new ATOM 0 HA ASN A 476 23.297 -2.628 16.939 1.00 0.00 H new ATOM 0 HB2 ASN A 476 25.599 -1.554 17.196 1.00 0.00 H new ATOM 0 HB3 ASN A 476 25.592 -3.156 16.486 1.00 0.00 H new ATOM 0 HD21 ASN A 476 26.844 -2.247 13.343 1.00 0.00 H new ATOM 0 HD22 ASN A 476 26.150 -3.490 14.389 1.00 0.00 H new ATOM 1185 N PHE A 477 22.909 -0.049 15.111 1.00 0.00 N ATOM 1186 CA PHE A 477 22.484 1.338 15.045 1.00 0.00 C ATOM 1187 C PHE A 477 20.959 1.441 14.962 1.00 0.00 C ATOM 1188 O PHE A 477 20.412 2.538 14.861 1.00 0.00 O ATOM 1189 CB PHE A 477 23.094 1.934 13.775 1.00 0.00 C ATOM 1190 CG PHE A 477 22.172 2.909 13.040 1.00 0.00 C ATOM 1191 CD1 PHE A 477 21.165 2.434 12.258 1.00 0.00 C ATOM 1192 CD2 PHE A 477 22.359 4.250 13.168 1.00 0.00 C ATOM 1193 CE1 PHE A 477 20.309 3.339 11.576 1.00 0.00 C ATOM 1194 CE2 PHE A 477 21.503 5.154 12.485 1.00 0.00 C ATOM 1195 CZ PHE A 477 20.497 4.680 11.704 1.00 0.00 C ATOM 0 H PHE A 477 22.824 -0.563 14.234 1.00 0.00 H new ATOM 0 HA PHE A 477 22.809 1.869 15.940 1.00 0.00 H new ATOM 0 HB2 PHE A 477 24.018 2.450 14.036 1.00 0.00 H new ATOM 0 HB3 PHE A 477 23.362 1.123 13.098 1.00 0.00 H new ATOM 0 HD1 PHE A 477 21.017 1.369 12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 477 23.158 4.627 13.789 1.00 0.00 H new ATOM 0 HE1 PHE A 477 19.509 2.963 10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 477 21.652 6.219 12.586 1.00 0.00 H new ATOM 0 HZ PHE A 477 19.847 5.368 11.185 1.00 0.00 H new ATOM 1205 N THR A 478 20.317 0.284 15.006 1.00 0.00 N ATOM 1206 CA THR A 478 18.866 0.230 14.936 1.00 0.00 C ATOM 1207 C THR A 478 18.308 -0.612 16.085 1.00 0.00 C ATOM 1208 O THR A 478 19.065 -1.133 16.903 1.00 0.00 O ATOM 1209 CB THR A 478 18.479 -0.298 13.553 1.00 0.00 C ATOM 1210 OG1 THR A 478 19.508 -1.231 13.236 1.00 0.00 O ATOM 1211 CG2 THR A 478 18.597 0.771 12.465 1.00 0.00 C ATOM 0 H THR A 478 20.774 -0.624 15.089 1.00 0.00 H new ATOM 0 HA THR A 478 18.427 1.220 15.057 1.00 0.00 H new ATOM 0 HB THR A 478 17.457 -0.676 13.582 1.00 0.00 H new ATOM 0 HG1 THR A 478 20.258 -0.761 12.816 1.00 0.00 H new ATOM 0 HG21 THR A 478 18.311 0.345 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 478 17.938 1.606 12.702 1.00 0.00 H new ATOM 0 HG23 THR A 478 19.627 1.125 12.413 1.00 0.00 H new ATOM 1219 N GLU A 479 16.988 -0.719 16.111 1.00 0.00 N ATOM 1220 CA GLU A 479 16.319 -1.488 17.147 1.00 0.00 C ATOM 1221 C GLU A 479 15.285 -2.428 16.525 1.00 0.00 C ATOM 1222 O GLU A 479 14.646 -2.084 15.532 1.00 0.00 O ATOM 1223 CB GLU A 479 15.671 -0.567 18.182 1.00 0.00 C ATOM 1224 CG GLU A 479 15.495 -1.285 19.522 1.00 0.00 C ATOM 1225 CD GLU A 479 14.779 -0.389 20.534 1.00 0.00 C ATOM 1226 OE1 GLU A 479 13.532 -0.345 20.470 1.00 0.00 O ATOM 1227 OE2 GLU A 479 15.496 0.231 21.350 1.00 0.00 O ATOM 0 H GLU A 479 16.363 -0.286 15.431 1.00 0.00 H new ATOM 0 HA GLU A 479 17.065 -2.091 17.664 1.00 0.00 H new ATOM 0 HB2 GLU A 479 16.287 0.321 18.320 1.00 0.00 H new ATOM 0 HB3 GLU A 479 14.701 -0.229 17.817 1.00 0.00 H new ATOM 0 HG2 GLU A 479 14.924 -2.202 19.375 1.00 0.00 H new ATOM 0 HG3 GLU A 479 16.470 -1.575 19.914 1.00 0.00 H new ATOM 1234 N ARG A 480 15.151 -3.596 17.136 1.00 0.00 N ATOM 1235 CA ARG A 480 14.205 -4.588 16.655 1.00 0.00 C ATOM 1236 C ARG A 480 12.789 -4.241 17.121 1.00 0.00 C ATOM 1237 O ARG A 480 12.593 -3.814 18.257 1.00 0.00 O ATOM 1238 CB ARG A 480 14.570 -5.987 17.156 1.00 0.00 C ATOM 1239 CG ARG A 480 15.962 -6.397 16.670 1.00 0.00 C ATOM 1240 CD ARG A 480 16.013 -7.892 16.350 1.00 0.00 C ATOM 1241 NE ARG A 480 16.926 -8.580 17.289 1.00 0.00 N ATOM 1242 CZ ARG A 480 17.044 -9.912 17.382 1.00 0.00 C ATOM 1243 NH1 ARG A 480 16.306 -10.707 16.595 1.00 0.00 N ATOM 1244 NH2 ARG A 480 17.899 -10.449 18.263 1.00 0.00 N ATOM 0 H ARG A 480 15.682 -3.877 17.960 1.00 0.00 H new ATOM 0 HA ARG A 480 14.245 -4.583 15.566 1.00 0.00 H new ATOM 0 HB2 ARG A 480 14.541 -6.006 18.245 1.00 0.00 H new ATOM 0 HB3 ARG A 480 13.831 -6.707 16.805 1.00 0.00 H new ATOM 0 HG2 ARG A 480 16.225 -5.822 15.782 1.00 0.00 H new ATOM 0 HG3 ARG A 480 16.702 -6.160 17.434 1.00 0.00 H new ATOM 0 HD2 ARG A 480 15.014 -8.322 16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 480 16.352 -8.041 15.325 1.00 0.00 H new ATOM 0 HE ARG A 480 17.502 -8.005 17.904 1.00 0.00 H new ATOM 0 HH11 ARG A 480 15.654 -10.299 15.925 1.00 0.00 H new ATOM 0 HH12 ARG A 480 16.396 -11.721 16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 480 18.460 -9.844 18.863 1.00 0.00 H new ATOM 0 HH22 ARG A 480 17.989 -11.463 18.334 1.00 0.00 H new ATOM 1258 N VAL A 481 11.839 -4.438 16.219 1.00 0.00 N ATOM 1259 CA VAL A 481 10.447 -4.151 16.523 1.00 0.00 C ATOM 1260 C VAL A 481 9.657 -5.461 16.557 1.00 0.00 C ATOM 1261 O VAL A 481 9.532 -6.142 15.540 1.00 0.00 O ATOM 1262 CB VAL A 481 9.889 -3.142 15.517 1.00 0.00 C ATOM 1263 CG1 VAL A 481 8.391 -2.922 15.736 1.00 0.00 C ATOM 1264 CG2 VAL A 481 10.653 -1.819 15.587 1.00 0.00 C ATOM 0 H VAL A 481 12.006 -4.793 15.277 1.00 0.00 H new ATOM 0 HA VAL A 481 10.357 -3.691 17.507 1.00 0.00 H new ATOM 0 HB VAL A 481 10.025 -3.555 14.517 1.00 0.00 H new ATOM 0 HG11 VAL A 481 8.019 -2.201 15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 481 7.863 -3.867 15.613 1.00 0.00 H new ATOM 0 HG13 VAL A 481 8.223 -2.541 16.743 1.00 0.00 H new ATOM 0 HG21 VAL A 481 10.237 -1.120 14.862 1.00 0.00 H new ATOM 0 HG22 VAL A 481 10.563 -1.400 16.589 1.00 0.00 H new ATOM 0 HG23 VAL A 481 11.705 -1.994 15.360 1.00 0.00 H new