USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 NoAdj-H: A 367 HIS HD1 : A 367 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 346 HIS : no HD1:sc= -0.224 K(o=0.99,f=-3.5) USER MOD Set 1.2: A 359 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 354 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 355 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0521) USER MOD Single : A 356 LYS NZ :NH3+ 164:sc= 0.338 (180deg=0.0329) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 363 THR OG1 : rot -41:sc= 0.523 USER MOD Single : A 365 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0027) USER MOD Single : A 366 THR OG1 : rot -70:sc= -0.218 USER MOD Single : A 368 SER OG : rot 110:sc= -1.83! USER MOD Single : A 370 THR OG1 : rot 180:sc= 0 USER MOD Single : A 371 GLN :FLIP amide:sc= -0.0545 F(o=-2,f=-0.054) USER MOD Single : A 376 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 380 LYS NZ :NH3+ -124:sc= 1.23 (180deg=0.429) USER MOD Single : A 389 HIS : no HE2:sc= -6.45! C(o=-6.5!,f=-6.4!) USER MOD Single : A 390 LYS NZ :NH3+ -155:sc= -0.689 (180deg=-2.27) USER MOD Single : A 391 ASN : amide:sc= 1.11 K(o=1.1,f=-0.028) USER MOD Single : A 392 LYS NZ :NH3+ 166:sc= -0.0318 (180deg=-0.211) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ 170:sc= -0.0246 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 339 50.052 1.008 -5.421 1.00 0.00 N ATOM 2 CA ARG A 339 50.106 2.334 -6.001 1.00 0.00 C ATOM 3 C ARG A 339 51.136 2.311 -7.068 1.00 0.00 C ATOM 4 O ARG A 339 51.369 1.267 -7.708 1.00 0.00 O ATOM 5 CB ARG A 339 50.403 3.401 -4.939 1.00 0.00 C ATOM 6 CG ARG A 339 49.409 3.433 -3.804 1.00 0.00 C ATOM 7 CD ARG A 339 50.071 3.072 -2.478 1.00 0.00 C ATOM 8 NE ARG A 339 51.149 3.998 -2.107 1.00 0.00 N ATOM 9 CZ ARG A 339 52.429 3.651 -1.849 1.00 0.00 C ATOM 10 NH1 ARG A 339 52.830 2.361 -1.911 1.00 0.00 N ATOM 11 NH2 ARG A 339 53.313 4.600 -1.547 1.00 0.00 N ATOM 0 HA ARG A 339 49.138 2.602 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 339 51.398 3.225 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 339 50.423 4.380 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 339 48.966 4.426 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 339 48.597 2.736 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 339 49.317 3.066 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 339 50.473 2.061 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 339 50.911 4.987 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 339 52.162 1.630 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 339 53.801 2.119 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 339 53.021 5.577 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 339 54.282 4.350 -1.350 1.00 0.00 H new ATOM 25 N GLU A 340 51.721 3.383 -7.318 1.00 0.00 N ATOM 26 CA GLU A 340 52.709 3.383 -8.264 1.00 0.00 C ATOM 27 C GLU A 340 54.055 3.027 -7.630 1.00 0.00 C ATOM 28 O GLU A 340 54.714 3.843 -7.003 1.00 0.00 O ATOM 29 CB GLU A 340 52.746 4.679 -8.981 1.00 0.00 C ATOM 30 CG GLU A 340 53.055 5.822 -8.085 1.00 0.00 C ATOM 31 CD GLU A 340 51.905 6.753 -7.865 1.00 0.00 C ATOM 32 OE1 GLU A 340 50.780 6.285 -7.582 1.00 0.00 O ATOM 33 OE2 GLU A 340 52.079 7.976 -7.993 1.00 0.00 O ATOM 0 H GLU A 340 51.529 4.281 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 340 52.491 2.616 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 340 53.494 4.630 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 340 51.783 4.850 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 340 53.385 5.435 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 340 53.889 6.384 -8.505 1.00 0.00 H new ATOM 40 N PHE A 341 54.308 1.765 -7.603 1.00 0.00 N ATOM 41 CA PHE A 341 55.660 1.232 -7.324 1.00 0.00 C ATOM 42 C PHE A 341 56.701 2.167 -7.890 1.00 0.00 C ATOM 43 O PHE A 341 56.714 2.488 -9.088 1.00 0.00 O ATOM 44 CB PHE A 341 55.883 -0.153 -7.971 1.00 0.00 C ATOM 45 CG PHE A 341 57.326 -0.522 -7.995 1.00 0.00 C ATOM 46 CD1 PHE A 341 58.025 -0.656 -6.820 1.00 0.00 C ATOM 47 CD2 PHE A 341 57.989 -0.706 -9.190 1.00 0.00 C ATOM 48 CE1 PHE A 341 59.333 -0.964 -6.828 1.00 0.00 C ATOM 49 CE2 PHE A 341 59.315 -1.024 -9.207 1.00 0.00 C ATOM 50 CZ PHE A 341 59.993 -1.154 -8.025 1.00 0.00 C ATOM 0 H PHE A 341 53.604 1.046 -7.770 1.00 0.00 H new ATOM 0 HA PHE A 341 55.748 1.140 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 341 55.323 -0.908 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 341 55.492 -0.147 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 341 57.517 -0.512 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 341 57.453 -0.597 -10.121 1.00 0.00 H new ATOM 0 HE1 PHE A 341 59.869 -1.063 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 341 59.827 -1.172 -10.146 1.00 0.00 H new ATOM 0 HZ PHE A 341 61.043 -1.405 -8.029 1.00 0.00 H new ATOM 60 N ASP A 342 57.551 2.584 -7.039 1.00 0.00 N ATOM 61 CA ASP A 342 58.574 3.504 -7.408 1.00 0.00 C ATOM 62 C ASP A 342 59.893 2.825 -7.298 1.00 0.00 C ATOM 63 O ASP A 342 60.399 2.681 -6.211 1.00 0.00 O ATOM 64 CB ASP A 342 58.603 4.800 -6.553 1.00 0.00 C ATOM 65 CG ASP A 342 57.473 5.776 -6.786 1.00 0.00 C ATOM 66 OD1 ASP A 342 57.525 6.540 -7.796 1.00 0.00 O ATOM 67 OD2 ASP A 342 56.572 5.869 -5.948 1.00 0.00 O ATOM 0 H ASP A 342 57.566 2.302 -6.059 1.00 0.00 H new ATOM 0 HA ASP A 342 58.357 3.814 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 342 58.600 4.517 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 342 59.545 5.315 -6.742 1.00 0.00 H new ATOM 72 N PRO A 343 60.475 2.345 -8.390 1.00 0.00 N ATOM 73 CA PRO A 343 61.757 1.671 -8.317 1.00 0.00 C ATOM 74 C PRO A 343 62.860 2.591 -7.868 1.00 0.00 C ATOM 75 O PRO A 343 63.696 2.208 -7.075 1.00 0.00 O ATOM 76 CB PRO A 343 62.006 1.161 -9.724 1.00 0.00 C ATOM 77 CG PRO A 343 61.132 1.973 -10.604 1.00 0.00 C ATOM 78 CD PRO A 343 59.940 2.372 -9.769 1.00 0.00 C ATOM 0 HA PRO A 343 61.743 0.868 -7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 343 63.054 1.273 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 343 61.767 0.101 -9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 343 61.661 2.852 -10.972 1.00 0.00 H new ATOM 0 HG3 PRO A 343 60.820 1.400 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 343 59.571 3.361 -10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 343 59.109 1.677 -9.893 1.00 0.00 H new ATOM 86 N ASP A 344 62.801 3.823 -8.319 1.00 0.00 N ATOM 87 CA ASP A 344 63.815 4.827 -8.011 1.00 0.00 C ATOM 88 C ASP A 344 63.886 5.152 -6.539 1.00 0.00 C ATOM 89 O ASP A 344 64.884 5.717 -6.081 1.00 0.00 O ATOM 90 CB ASP A 344 63.569 6.136 -8.776 1.00 0.00 C ATOM 91 CG ASP A 344 63.848 6.054 -10.251 1.00 0.00 C ATOM 92 OD1 ASP A 344 63.190 5.273 -10.950 1.00 0.00 O ATOM 93 OD2 ASP A 344 64.724 6.778 -10.740 1.00 0.00 O ATOM 0 H ASP A 344 62.047 4.167 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 344 64.760 4.383 -8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 344 62.532 6.438 -8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 344 64.193 6.918 -8.343 1.00 0.00 H new ATOM 98 N ILE A 345 62.850 4.806 -5.801 1.00 0.00 N ATOM 99 CA ILE A 345 62.766 5.210 -4.401 1.00 0.00 C ATOM 100 C ILE A 345 62.549 4.008 -3.477 1.00 0.00 C ATOM 101 O ILE A 345 63.018 3.991 -2.349 1.00 0.00 O ATOM 102 CB ILE A 345 61.619 6.290 -4.173 1.00 0.00 C ATOM 103 CG1 ILE A 345 60.342 5.686 -3.561 1.00 0.00 C ATOM 104 CG2 ILE A 345 61.296 7.023 -5.469 1.00 0.00 C ATOM 105 CD1 ILE A 345 59.190 6.667 -3.402 1.00 0.00 C ATOM 0 H ILE A 345 62.061 4.253 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 345 63.723 5.666 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 345 62.009 7.006 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 345 60.012 4.857 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 345 60.585 5.270 -2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 345 60.510 7.755 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 345 62.189 7.532 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 345 60.958 6.307 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 345 58.334 6.155 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 345 59.496 7.485 -2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 345 58.914 7.065 -4.378 1.00 0.00 H new ATOM 117 N HIS A 346 61.867 3.009 -3.970 1.00 0.00 N ATOM 118 CA HIS A 346 61.455 1.907 -3.163 1.00 0.00 C ATOM 119 C HIS A 346 62.271 0.666 -3.320 1.00 0.00 C ATOM 120 O HIS A 346 63.269 0.625 -4.028 1.00 0.00 O ATOM 121 CB HIS A 346 59.954 1.636 -3.325 1.00 0.00 C ATOM 122 CG HIS A 346 59.163 2.496 -2.418 1.00 0.00 C ATOM 123 ND1 HIS A 346 58.107 3.239 -2.843 1.00 0.00 N ATOM 124 CD2 HIS A 346 59.320 2.662 -1.098 1.00 0.00 C ATOM 125 CE1 HIS A 346 57.642 3.839 -1.745 1.00 0.00 C ATOM 126 NE2 HIS A 346 58.355 3.510 -0.676 1.00 0.00 N ATOM 0 H HIS A 346 61.584 2.942 -4.948 1.00 0.00 H new ATOM 0 HA HIS A 346 61.645 2.218 -2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 346 59.657 1.819 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 346 59.744 0.587 -3.114 1.00 0.00 H new ATOM 0 HD2 HIS A 346 60.079 2.202 -0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 346 56.794 4.507 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 346 58.204 3.834 0.279 1.00 0.00 H new ATOM 134 N CYS A 347 61.825 -0.344 -2.616 1.00 0.00 N ATOM 135 CA CYS A 347 62.496 -1.629 -2.515 1.00 0.00 C ATOM 136 C CYS A 347 62.724 -2.287 -3.882 1.00 0.00 C ATOM 137 O CYS A 347 63.804 -2.776 -4.135 1.00 0.00 O ATOM 138 CB CYS A 347 61.703 -2.538 -1.543 1.00 0.00 C ATOM 139 SG CYS A 347 62.393 -4.216 -1.161 1.00 0.00 S ATOM 0 H CYS A 347 60.959 -0.300 -2.079 1.00 0.00 H new ATOM 0 HA CYS A 347 63.496 -1.470 -2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 347 61.590 -2.001 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 347 60.703 -2.674 -1.954 1.00 0.00 H new ATOM 144 N GLY A 348 61.692 -2.372 -4.703 1.00 0.00 N ATOM 145 CA GLY A 348 61.863 -2.918 -6.044 1.00 0.00 C ATOM 146 C GLY A 348 62.155 -4.395 -6.096 1.00 0.00 C ATOM 147 O GLY A 348 62.383 -4.934 -7.157 1.00 0.00 O ATOM 0 H GLY A 348 60.743 -2.077 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 348 60.958 -2.721 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 348 62.676 -2.384 -6.537 1.00 0.00 H new ATOM 151 N VAL A 349 62.101 -5.058 -4.967 1.00 0.00 N ATOM 152 CA VAL A 349 62.371 -6.478 -4.952 1.00 0.00 C ATOM 153 C VAL A 349 61.077 -7.061 -5.057 1.00 0.00 C ATOM 154 O VAL A 349 60.231 -6.807 -4.200 1.00 0.00 O ATOM 155 CB VAL A 349 63.032 -7.019 -3.651 1.00 0.00 C ATOM 156 CG1 VAL A 349 63.440 -8.477 -3.812 1.00 0.00 C ATOM 157 CG2 VAL A 349 64.209 -6.198 -3.202 1.00 0.00 C ATOM 0 H VAL A 349 61.877 -4.648 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 349 63.080 -6.716 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 349 62.274 -6.941 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 349 63.899 -8.830 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 349 62.559 -9.079 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 349 64.155 -8.567 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 349 64.625 -6.627 -2.290 1.00 0.00 H new ATOM 0 HG22 VAL A 349 64.970 -6.196 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 349 63.886 -5.175 -3.007 1.00 0.00 H new ATOM 167 N ILE A 350 60.874 -7.735 -6.101 1.00 0.00 N ATOM 168 CA ILE A 350 59.639 -8.345 -6.314 1.00 0.00 C ATOM 169 C ILE A 350 59.351 -9.341 -5.233 1.00 0.00 C ATOM 170 O ILE A 350 60.176 -10.193 -4.898 1.00 0.00 O ATOM 171 CB ILE A 350 59.490 -8.855 -7.733 1.00 0.00 C ATOM 172 CG1 ILE A 350 59.425 -7.592 -8.622 1.00 0.00 C ATOM 173 CG2 ILE A 350 58.279 -9.761 -7.855 1.00 0.00 C ATOM 174 CD1 ILE A 350 58.949 -7.771 -10.035 1.00 0.00 C ATOM 0 H ILE A 350 61.562 -7.882 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 350 58.850 -7.598 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 350 60.324 -9.481 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 350 58.771 -6.869 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 350 60.421 -7.150 -8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 350 58.192 -10.115 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 350 58.393 -10.614 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 350 57.381 -9.206 -7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 350 58.952 -6.808 -10.545 1.00 0.00 H new ATOM 0 HD12 ILE A 350 59.612 -8.461 -10.558 1.00 0.00 H new ATOM 0 HD13 ILE A 350 57.937 -8.175 -10.029 1.00 0.00 H new ATOM 186 N ASP A 351 58.217 -9.152 -4.644 1.00 0.00 N ATOM 187 CA ASP A 351 57.857 -9.823 -3.455 1.00 0.00 C ATOM 188 C ASP A 351 57.339 -11.165 -3.804 1.00 0.00 C ATOM 189 O ASP A 351 56.610 -11.296 -4.729 1.00 0.00 O ATOM 190 CB ASP A 351 56.801 -9.007 -2.778 1.00 0.00 C ATOM 191 CG ASP A 351 56.569 -9.376 -1.354 1.00 0.00 C ATOM 192 OD1 ASP A 351 57.338 -8.903 -0.468 1.00 0.00 O ATOM 193 OD2 ASP A 351 55.598 -10.098 -1.081 1.00 0.00 O ATOM 0 H ASP A 351 57.504 -8.510 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 351 58.711 -9.944 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 351 57.081 -7.955 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 351 55.866 -9.114 -3.327 1.00 0.00 H new ATOM 198 N LEU A 352 57.756 -12.148 -3.111 1.00 0.00 N ATOM 199 CA LEU A 352 57.358 -13.497 -3.379 1.00 0.00 C ATOM 200 C LEU A 352 55.974 -13.831 -2.834 1.00 0.00 C ATOM 201 O LEU A 352 55.340 -14.797 -3.281 1.00 0.00 O ATOM 202 CB LEU A 352 58.441 -14.419 -2.875 1.00 0.00 C ATOM 203 CG LEU A 352 59.604 -14.736 -3.836 1.00 0.00 C ATOM 204 CD1 LEU A 352 59.166 -15.728 -4.881 1.00 0.00 C ATOM 205 CD2 LEU A 352 60.123 -13.489 -4.535 1.00 0.00 C ATOM 0 H LEU A 352 58.396 -12.052 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 352 57.250 -13.634 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 352 58.862 -13.982 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 352 57.975 -15.361 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 352 60.408 -15.155 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 352 59.998 -15.941 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 352 58.845 -16.650 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 352 58.337 -15.312 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 352 60.941 -13.760 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 352 59.319 -13.035 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 352 60.481 -12.777 -3.791 1.00 0.00 H new ATOM 217 N ASP A 353 55.486 -13.028 -1.902 1.00 0.00 N ATOM 218 CA ASP A 353 54.145 -13.242 -1.355 1.00 0.00 C ATOM 219 C ASP A 353 53.178 -12.518 -2.181 1.00 0.00 C ATOM 220 O ASP A 353 52.151 -13.062 -2.609 1.00 0.00 O ATOM 221 CB ASP A 353 54.014 -12.701 0.050 1.00 0.00 C ATOM 222 CG ASP A 353 52.659 -12.983 0.688 1.00 0.00 C ATOM 223 OD1 ASP A 353 52.380 -14.145 1.058 1.00 0.00 O ATOM 224 OD2 ASP A 353 51.866 -12.031 0.878 1.00 0.00 O ATOM 0 H ASP A 353 55.986 -12.231 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 353 53.964 -14.317 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 353 54.797 -13.135 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 353 54.181 -11.624 0.033 1.00 0.00 H new ATOM 229 N THR A 354 53.468 -11.273 -2.410 1.00 0.00 N ATOM 230 CA THR A 354 52.565 -10.509 -3.147 1.00 0.00 C ATOM 231 C THR A 354 52.749 -10.696 -4.659 1.00 0.00 C ATOM 232 O THR A 354 51.787 -10.663 -5.425 1.00 0.00 O ATOM 233 CB THR A 354 52.514 -9.030 -2.724 1.00 0.00 C ATOM 234 OG1 THR A 354 53.829 -8.508 -2.650 1.00 0.00 O ATOM 235 CG2 THR A 354 51.846 -8.879 -1.373 1.00 0.00 C ATOM 0 H THR A 354 54.310 -10.791 -2.096 1.00 0.00 H new ATOM 0 HA THR A 354 51.577 -10.900 -2.903 1.00 0.00 H new ATOM 0 HB THR A 354 51.936 -8.482 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 354 53.792 -7.566 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 354 51.822 -7.825 -1.095 1.00 0.00 H new ATOM 0 HG22 THR A 354 50.828 -9.264 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 354 52.407 -9.439 -0.625 1.00 0.00 H new ATOM 243 N LYS A 355 53.989 -10.931 -5.057 1.00 0.00 N ATOM 244 CA LYS A 355 54.379 -11.131 -6.451 1.00 0.00 C ATOM 245 C LYS A 355 54.083 -9.982 -7.315 1.00 0.00 C ATOM 246 O LYS A 355 53.385 -10.055 -8.336 1.00 0.00 O ATOM 247 CB LYS A 355 54.060 -12.496 -7.033 1.00 0.00 C ATOM 248 CG LYS A 355 55.045 -13.564 -6.563 1.00 0.00 C ATOM 249 CD LYS A 355 56.452 -13.361 -7.136 1.00 0.00 C ATOM 250 CE LYS A 355 56.518 -13.627 -8.630 1.00 0.00 C ATOM 251 NZ LYS A 355 56.378 -15.064 -8.942 1.00 0.00 N ATOM 0 H LYS A 355 54.773 -10.990 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 355 55.468 -11.164 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 355 53.049 -12.785 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 355 54.079 -12.439 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 355 55.095 -13.553 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 355 54.676 -14.547 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 355 56.777 -12.340 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 355 57.149 -14.023 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 355 55.729 -13.068 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 355 57.467 -13.262 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 56.563 -15.219 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 57.060 -15.610 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 55.412 -15.376 -8.715 1.00 0.00 H new ATOM 265 N LYS A 356 54.581 -8.918 -6.822 1.00 0.00 N ATOM 266 CA LYS A 356 54.540 -7.625 -7.377 1.00 0.00 C ATOM 267 C LYS A 356 55.772 -6.960 -6.828 1.00 0.00 C ATOM 268 O LYS A 356 56.440 -7.565 -5.973 1.00 0.00 O ATOM 269 CB LYS A 356 53.276 -6.952 -6.873 1.00 0.00 C ATOM 270 CG LYS A 356 53.326 -6.499 -5.433 1.00 0.00 C ATOM 271 CD LYS A 356 52.077 -5.749 -5.054 1.00 0.00 C ATOM 272 CE LYS A 356 52.272 -5.034 -3.734 1.00 0.00 C ATOM 273 NZ LYS A 356 53.395 -4.074 -3.816 1.00 0.00 N ATOM 0 H LYS A 356 55.077 -8.932 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 356 54.524 -7.592 -8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 356 53.066 -6.088 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 356 52.442 -7.643 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 356 53.446 -7.364 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 356 54.197 -5.861 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 356 51.828 -5.028 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 356 51.238 -6.441 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 356 51.357 -4.508 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 356 52.467 -5.762 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 356 53.345 -3.412 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 356 54.297 -4.591 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 356 53.334 -3.543 -4.708 1.00 0.00 H new ATOM 287 N PRO A 357 56.141 -5.775 -7.272 1.00 0.00 N ATOM 288 CA PRO A 357 57.277 -5.129 -6.726 1.00 0.00 C ATOM 289 C PRO A 357 57.045 -4.646 -5.338 1.00 0.00 C ATOM 290 O PRO A 357 55.962 -4.785 -4.750 1.00 0.00 O ATOM 291 CB PRO A 357 57.585 -3.998 -7.622 1.00 0.00 C ATOM 292 CG PRO A 357 56.454 -3.825 -8.556 1.00 0.00 C ATOM 293 CD PRO A 357 55.498 -4.978 -8.328 1.00 0.00 C ATOM 0 HA PRO A 357 58.107 -5.832 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 357 57.743 -3.088 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 357 58.506 -4.190 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 357 55.955 -2.872 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 357 56.806 -3.816 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 357 54.515 -4.625 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 357 55.355 -5.562 -9.237 1.00 0.00 H new ATOM 301 N CYS A 358 58.022 -4.022 -4.814 1.00 0.00 N ATOM 302 CA CYS A 358 57.989 -3.794 -3.499 1.00 0.00 C ATOM 303 C CYS A 358 58.157 -2.378 -3.184 1.00 0.00 C ATOM 304 O CYS A 358 59.269 -1.856 -3.165 1.00 0.00 O ATOM 305 CB CYS A 358 59.006 -4.600 -2.877 1.00 0.00 C ATOM 306 SG CYS A 358 58.779 -4.762 -1.146 1.00 0.00 S ATOM 0 H CYS A 358 58.842 -3.673 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 358 57.009 -4.070 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 358 59.008 -5.590 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 358 59.983 -4.158 -3.071 1.00 0.00 H new ATOM 311 N THR A 359 57.090 -1.770 -2.970 1.00 0.00 N ATOM 312 CA THR A 359 57.039 -0.403 -2.584 1.00 0.00 C ATOM 313 C THR A 359 56.614 -0.331 -1.112 1.00 0.00 C ATOM 314 O THR A 359 55.531 0.110 -0.748 1.00 0.00 O ATOM 315 CB THR A 359 56.146 0.428 -3.590 1.00 0.00 C ATOM 316 OG1 THR A 359 55.854 1.760 -3.175 1.00 0.00 O ATOM 317 CG2 THR A 359 54.876 -0.304 -3.906 1.00 0.00 C ATOM 0 H THR A 359 56.172 -2.206 -3.055 1.00 0.00 H new ATOM 0 HA THR A 359 58.019 0.070 -2.647 1.00 0.00 H new ATOM 0 HB THR A 359 56.756 0.527 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 359 56.588 2.353 -3.440 1.00 0.00 H new ATOM 0 HG21 THR A 359 54.278 0.287 -4.600 1.00 0.00 H new ATOM 0 HG22 THR A 359 55.114 -1.266 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 359 54.311 -0.466 -2.988 1.00 0.00 H new ATOM 325 N ARG A 360 57.442 -0.980 -0.304 1.00 0.00 N ATOM 326 CA ARG A 360 57.313 -0.929 1.127 1.00 0.00 C ATOM 327 C ARG A 360 58.037 0.258 1.646 1.00 0.00 C ATOM 328 O ARG A 360 57.438 1.217 2.102 1.00 0.00 O ATOM 329 CB ARG A 360 57.858 -2.190 1.767 1.00 0.00 C ATOM 330 CG ARG A 360 56.931 -3.358 1.617 1.00 0.00 C ATOM 331 CD ARG A 360 56.978 -4.223 2.829 1.00 0.00 C ATOM 332 NE ARG A 360 56.126 -5.413 2.701 1.00 0.00 N ATOM 333 CZ ARG A 360 55.630 -6.131 3.727 1.00 0.00 C ATOM 334 NH1 ARG A 360 55.814 -5.728 4.974 1.00 0.00 N ATOM 335 NH2 ARG A 360 54.957 -7.245 3.497 1.00 0.00 N ATOM 0 H ARG A 360 58.219 -1.554 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 360 56.255 -0.853 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 360 58.821 -2.434 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 360 58.038 -2.007 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 360 55.913 -3.003 1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 360 57.209 -3.939 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 360 58.007 -4.534 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 360 56.662 -3.645 3.697 1.00 0.00 H new ATOM 0 HE ARG A 360 55.891 -5.721 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 360 56.333 -4.870 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 360 55.436 -6.275 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 360 54.811 -7.564 2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 360 54.583 -7.785 4.277 1.00 0.00 H new ATOM 349 N SER A 361 59.333 0.198 1.521 1.00 0.00 N ATOM 350 CA SER A 361 60.196 1.240 1.930 1.00 0.00 C ATOM 351 C SER A 361 61.560 0.946 1.427 1.00 0.00 C ATOM 352 O SER A 361 61.806 -0.136 0.811 1.00 0.00 O ATOM 353 CB SER A 361 60.213 1.379 3.452 1.00 0.00 C ATOM 354 OG SER A 361 60.552 0.135 4.059 1.00 0.00 O ATOM 0 H SER A 361 59.819 -0.604 1.120 1.00 0.00 H new ATOM 0 HA SER A 361 59.838 2.184 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 361 60.933 2.143 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 361 59.236 1.709 3.805 1.00 0.00 H new ATOM 0 HG SER A 361 60.561 0.238 5.034 1.00 0.00 H new ATOM 360 N LEU A 362 62.445 1.847 1.738 1.00 0.00 N ATOM 361 CA LEU A 362 63.809 1.801 1.360 1.00 0.00 C ATOM 362 C LEU A 362 64.559 0.871 2.308 1.00 0.00 C ATOM 363 O LEU A 362 65.724 0.634 2.159 1.00 0.00 O ATOM 364 CB LEU A 362 64.405 3.219 1.435 1.00 0.00 C ATOM 365 CG LEU A 362 63.747 4.339 0.571 1.00 0.00 C ATOM 366 CD1 LEU A 362 62.390 4.807 1.112 1.00 0.00 C ATOM 367 CD2 LEU A 362 64.678 5.524 0.377 1.00 0.00 C ATOM 0 H LEU A 362 62.213 2.672 2.291 1.00 0.00 H new ATOM 0 HA LEU A 362 63.901 1.427 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 362 64.373 3.539 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 362 65.456 3.154 1.153 1.00 0.00 H new ATOM 0 HG LEU A 362 63.560 3.881 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 362 61.989 5.586 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 362 61.699 3.965 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 362 62.517 5.203 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 362 64.182 6.281 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 362 64.934 5.948 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 362 65.587 5.194 -0.126 1.00 0.00 H new ATOM 379 N THR A 363 63.852 0.370 3.287 1.00 0.00 N ATOM 380 CA THR A 363 64.409 -0.521 4.269 1.00 0.00 C ATOM 381 C THR A 363 63.412 -1.656 4.531 1.00 0.00 C ATOM 382 O THR A 363 63.320 -2.172 5.640 1.00 0.00 O ATOM 383 CB THR A 363 64.698 0.272 5.559 1.00 0.00 C ATOM 384 OG1 THR A 363 65.283 -0.562 6.574 1.00 0.00 O ATOM 385 CG2 THR A 363 63.422 0.899 6.069 1.00 0.00 C ATOM 0 H THR A 363 62.862 0.572 3.426 1.00 0.00 H new ATOM 0 HA THR A 363 65.343 -0.954 3.912 1.00 0.00 H new ATOM 0 HB THR A 363 65.419 1.054 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 363 64.837 -1.435 6.577 1.00 0.00 H new ATOM 0 HG21 THR A 363 63.631 1.459 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 363 63.021 1.574 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 363 62.692 0.118 6.282 1.00 0.00 H new ATOM 393 N CYS A 364 62.700 -2.034 3.459 1.00 0.00 N ATOM 394 CA CYS A 364 61.713 -3.131 3.438 1.00 0.00 C ATOM 395 C CYS A 364 62.036 -4.245 4.437 1.00 0.00 C ATOM 396 O CYS A 364 63.065 -4.909 4.317 1.00 0.00 O ATOM 397 CB CYS A 364 61.747 -3.729 2.094 1.00 0.00 C ATOM 398 SG CYS A 364 60.801 -5.235 1.935 1.00 0.00 S ATOM 0 H CYS A 364 62.796 -1.573 2.554 1.00 0.00 H new ATOM 0 HA CYS A 364 60.743 -2.711 3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 364 61.372 -3.000 1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 364 62.784 -3.935 1.827 1.00 0.00 H new ATOM 403 N LYS A 365 61.118 -4.485 5.326 1.00 0.00 N ATOM 404 CA LYS A 365 61.283 -5.337 6.472 1.00 0.00 C ATOM 405 C LYS A 365 61.009 -6.809 6.130 1.00 0.00 C ATOM 406 O LYS A 365 61.123 -7.698 6.962 1.00 0.00 O ATOM 407 CB LYS A 365 60.293 -4.787 7.490 1.00 0.00 C ATOM 408 CG LYS A 365 60.354 -5.331 8.880 1.00 0.00 C ATOM 409 CD LYS A 365 59.422 -4.534 9.801 1.00 0.00 C ATOM 410 CE LYS A 365 57.954 -4.581 9.350 1.00 0.00 C ATOM 411 NZ LYS A 365 57.380 -5.939 9.459 1.00 0.00 N ATOM 0 H LYS A 365 60.187 -4.072 5.271 1.00 0.00 H new ATOM 0 HA LYS A 365 62.304 -5.332 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 365 60.434 -3.708 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 365 59.287 -4.958 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 365 60.066 -6.382 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 365 61.377 -5.281 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 365 59.498 -4.927 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 365 59.753 -3.496 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 365 57.367 -3.891 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 365 57.882 -4.240 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 56.384 -5.920 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 57.912 -6.591 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 57.440 -6.263 10.445 1.00 0.00 H new ATOM 425 N THR A 366 60.682 -7.043 4.902 1.00 0.00 N ATOM 426 CA THR A 366 60.346 -8.354 4.432 1.00 0.00 C ATOM 427 C THR A 366 61.580 -9.005 3.837 1.00 0.00 C ATOM 428 O THR A 366 62.014 -10.085 4.214 1.00 0.00 O ATOM 429 CB THR A 366 59.387 -8.163 3.293 1.00 0.00 C ATOM 430 OG1 THR A 366 58.363 -7.270 3.668 1.00 0.00 O ATOM 431 CG2 THR A 366 58.830 -9.460 2.731 1.00 0.00 C ATOM 0 H THR A 366 60.639 -6.321 4.183 1.00 0.00 H new ATOM 0 HA THR A 366 59.942 -8.959 5.244 1.00 0.00 H new ATOM 0 HB THR A 366 59.957 -7.728 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 366 57.780 -7.700 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 366 58.146 -9.238 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 366 59.649 -10.078 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 366 58.295 -9.996 3.515 1.00 0.00 H new ATOM 439 N HIS A 367 62.135 -8.276 2.916 1.00 0.00 N ATOM 440 CA HIS A 367 63.231 -8.701 2.111 1.00 0.00 C ATOM 441 C HIS A 367 64.490 -8.410 2.826 1.00 0.00 C ATOM 442 O HIS A 367 64.622 -7.337 3.388 1.00 0.00 O ATOM 443 CB HIS A 367 63.175 -7.965 0.742 1.00 0.00 C ATOM 444 CG HIS A 367 62.094 -8.461 -0.209 1.00 0.00 C ATOM 445 ND1 HIS A 367 61.168 -7.611 -0.814 1.00 0.00 N ATOM 446 CD2 HIS A 367 61.869 -9.720 -0.644 1.00 0.00 C ATOM 447 CE1 HIS A 367 60.425 -8.400 -1.577 1.00 0.00 C ATOM 448 NE2 HIS A 367 60.818 -9.672 -1.503 1.00 0.00 N ATOM 0 H HIS A 367 61.820 -7.330 2.699 1.00 0.00 H new ATOM 0 HA HIS A 367 63.179 -9.774 1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 367 63.019 -6.902 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 367 64.143 -8.065 0.252 1.00 0.00 H new ATOM 0 HD2 HIS A 367 62.423 -10.603 -0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 367 59.602 -8.055 -2.185 1.00 0.00 H new ATOM 0 HE2 HIS A 367 60.406 -10.462 -1.999 1.00 0.00 H new ATOM 456 N SER A 368 65.395 -9.345 2.824 1.00 0.00 N ATOM 457 CA SER A 368 66.637 -9.166 3.488 1.00 0.00 C ATOM 458 C SER A 368 67.525 -8.208 2.782 1.00 0.00 C ATOM 459 O SER A 368 67.366 -7.974 1.580 1.00 0.00 O ATOM 460 CB SER A 368 67.302 -10.479 3.786 1.00 0.00 C ATOM 461 OG SER A 368 67.359 -11.297 2.662 1.00 0.00 O ATOM 0 H SER A 368 65.286 -10.248 2.361 1.00 0.00 H new ATOM 0 HA SER A 368 66.422 -8.706 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 368 68.311 -10.299 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 368 66.758 -10.990 4.580 1.00 0.00 H new ATOM 0 HG SER A 368 68.287 -11.369 2.357 1.00 0.00 H new ATOM 467 N LEU A 369 68.436 -7.634 3.540 1.00 0.00 N ATOM 468 CA LEU A 369 69.372 -6.629 3.096 1.00 0.00 C ATOM 469 C LEU A 369 70.010 -6.986 1.784 1.00 0.00 C ATOM 470 O LEU A 369 70.027 -6.161 0.852 1.00 0.00 O ATOM 471 CB LEU A 369 70.406 -6.389 4.216 1.00 0.00 C ATOM 472 CG LEU A 369 71.583 -5.415 3.971 1.00 0.00 C ATOM 473 CD1 LEU A 369 72.715 -6.101 3.225 1.00 0.00 C ATOM 474 CD2 LEU A 369 71.116 -4.223 3.169 1.00 0.00 C ATOM 0 H LEU A 369 68.547 -7.868 4.527 1.00 0.00 H new ATOM 0 HA LEU A 369 68.838 -5.698 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 369 69.863 -6.031 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 369 70.833 -7.357 4.480 1.00 0.00 H new ATOM 0 HG LEU A 369 71.949 -5.086 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 369 73.528 -5.393 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 369 73.078 -6.945 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 369 72.352 -6.458 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 369 71.953 -3.545 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 369 70.727 -4.561 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 369 70.330 -3.702 3.716 1.00 0.00 H new ATOM 486 N THR A 370 70.439 -8.205 1.675 1.00 0.00 N ATOM 487 CA THR A 370 71.142 -8.630 0.503 1.00 0.00 C ATOM 488 C THR A 370 70.227 -8.592 -0.722 1.00 0.00 C ATOM 489 O THR A 370 70.653 -8.266 -1.817 1.00 0.00 O ATOM 490 CB THR A 370 71.726 -10.019 0.701 1.00 0.00 C ATOM 491 OG1 THR A 370 72.460 -10.026 1.948 1.00 0.00 O ATOM 492 CG2 THR A 370 72.667 -10.330 -0.439 1.00 0.00 C ATOM 0 H THR A 370 70.315 -8.926 2.386 1.00 0.00 H new ATOM 0 HA THR A 370 71.966 -7.938 0.330 1.00 0.00 H new ATOM 0 HB THR A 370 70.933 -10.767 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 370 72.844 -10.915 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 370 73.089 -11.326 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 370 72.121 -10.294 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 370 73.471 -9.595 -0.458 1.00 0.00 H new ATOM 500 N GLN A 371 68.955 -8.803 -0.485 1.00 0.00 N ATOM 501 CA GLN A 371 67.984 -8.895 -1.557 1.00 0.00 C ATOM 502 C GLN A 371 67.663 -7.516 -2.062 1.00 0.00 C ATOM 503 O GLN A 371 67.352 -7.328 -3.224 1.00 0.00 O ATOM 504 CB GLN A 371 66.716 -9.561 -1.078 1.00 0.00 C ATOM 505 CG GLN A 371 66.982 -10.753 -0.200 1.00 0.00 C ATOM 506 CD GLN A 371 65.772 -11.603 0.053 1.00 0.00 C ATOM 507 OE1 GLN A 371 64.656 -10.966 0.180 1.00 0.00 O flip ATOM 508 NE2 GLN A 371 65.859 -12.821 0.198 1.00 0.00 N flip ATOM 0 H GLN A 371 68.562 -8.916 0.449 1.00 0.00 H new ATOM 0 HA GLN A 371 68.411 -9.496 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 371 66.116 -8.837 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 371 66.127 -9.874 -1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 371 67.755 -11.367 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 371 67.378 -10.408 0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 371 66.761 -13.284 0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 371 65.029 -13.368 0.428 1.00 0.00 H new ATOM 517 N ARG A 372 67.733 -6.533 -1.173 1.00 0.00 N ATOM 518 CA ARG A 372 67.507 -5.177 -1.614 1.00 0.00 C ATOM 519 C ARG A 372 68.686 -4.724 -2.441 1.00 0.00 C ATOM 520 O ARG A 372 68.510 -4.053 -3.458 1.00 0.00 O ATOM 521 CB ARG A 372 67.301 -4.146 -0.513 1.00 0.00 C ATOM 522 CG ARG A 372 66.094 -4.271 0.390 1.00 0.00 C ATOM 523 CD ARG A 372 66.339 -5.264 1.463 1.00 0.00 C ATOM 524 NE ARG A 372 65.725 -4.905 2.717 1.00 0.00 N ATOM 525 CZ ARG A 372 66.365 -4.416 3.799 1.00 0.00 C ATOM 526 NH1 ARG A 372 67.595 -3.917 3.701 1.00 0.00 N ATOM 527 NH2 ARG A 372 65.741 -4.384 4.956 1.00 0.00 N ATOM 0 H ARG A 372 67.937 -6.648 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 372 66.573 -5.221 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 372 68.188 -4.158 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 372 67.259 -3.164 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 372 65.863 -3.302 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 372 65.225 -4.570 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 372 65.960 -6.235 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 372 67.413 -5.374 1.610 1.00 0.00 H new ATOM 0 HE ARG A 372 64.716 -5.032 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 372 68.068 -3.900 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 372 68.064 -3.551 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 372 64.783 -4.727 5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 372 66.215 -4.016 5.781 1.00 0.00 H new ATOM 541 N ARG A 373 69.907 -5.096 -1.993 1.00 0.00 N ATOM 542 CA ARG A 373 71.120 -4.738 -2.722 1.00 0.00 C ATOM 543 C ARG A 373 71.117 -5.400 -4.090 1.00 0.00 C ATOM 544 O ARG A 373 71.467 -4.782 -5.102 1.00 0.00 O ATOM 545 CB ARG A 373 72.361 -5.167 -1.951 1.00 0.00 C ATOM 546 CG ARG A 373 72.488 -4.536 -0.598 1.00 0.00 C ATOM 547 CD ARG A 373 73.777 -4.911 0.072 1.00 0.00 C ATOM 548 NE ARG A 373 74.872 -4.032 -0.319 1.00 0.00 N ATOM 549 CZ ARG A 373 76.056 -4.399 -0.804 1.00 0.00 C ATOM 550 NH1 ARG A 373 76.315 -5.672 -1.122 1.00 0.00 N ATOM 551 NH2 ARG A 373 76.970 -3.468 -1.006 1.00 0.00 N ATOM 0 H ARG A 373 70.066 -5.636 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 373 71.140 -3.655 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 373 72.347 -6.251 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 373 73.245 -4.921 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 373 72.431 -3.452 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 373 71.650 -4.844 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 373 73.648 -4.871 1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 373 74.031 -5.941 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 373 74.714 -3.030 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 373 75.597 -6.386 -0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 373 77.230 -5.929 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 373 76.761 -2.493 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 373 77.885 -3.724 -1.377 1.00 0.00 H new ATOM 565 N ALA A 374 70.667 -6.641 -4.101 1.00 0.00 N ATOM 566 CA ALA A 374 70.597 -7.473 -5.307 1.00 0.00 C ATOM 567 C ALA A 374 69.682 -6.912 -6.415 1.00 0.00 C ATOM 568 O ALA A 374 69.900 -7.188 -7.605 1.00 0.00 O ATOM 569 CB ALA A 374 70.188 -8.890 -4.953 1.00 0.00 C ATOM 0 H ALA A 374 70.332 -7.115 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 374 71.604 -7.469 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 374 70.141 -9.493 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 374 70.920 -9.320 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 374 69.208 -8.877 -4.475 1.00 0.00 H new ATOM 575 N VAL A 375 68.661 -6.163 -6.062 1.00 0.00 N ATOM 576 CA VAL A 375 67.794 -5.608 -7.089 1.00 0.00 C ATOM 577 C VAL A 375 68.247 -4.188 -7.461 1.00 0.00 C ATOM 578 O VAL A 375 68.418 -3.316 -6.599 1.00 0.00 O ATOM 579 CB VAL A 375 66.269 -5.626 -6.701 1.00 0.00 C ATOM 580 CG1 VAL A 375 65.974 -4.682 -5.559 1.00 0.00 C ATOM 581 CG2 VAL A 375 65.403 -5.283 -7.908 1.00 0.00 C ATOM 0 H VAL A 375 68.411 -5.926 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 375 67.889 -6.258 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 375 66.028 -6.636 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 375 64.911 -4.722 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 375 66.554 -4.976 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 375 66.243 -3.666 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 375 64.352 -5.301 -7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 375 65.663 -4.289 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 375 65.574 -6.014 -8.698 1.00 0.00 H new ATOM 591 N GLN A 376 68.428 -3.958 -8.726 1.00 0.00 N ATOM 592 CA GLN A 376 68.839 -2.653 -9.243 1.00 0.00 C ATOM 593 C GLN A 376 67.601 -1.787 -9.545 1.00 0.00 C ATOM 594 O GLN A 376 67.539 -1.084 -10.550 1.00 0.00 O ATOM 595 CB GLN A 376 69.706 -2.845 -10.496 1.00 0.00 C ATOM 596 CG GLN A 376 69.082 -3.761 -11.526 1.00 0.00 C ATOM 597 CD GLN A 376 69.881 -3.877 -12.792 1.00 0.00 C ATOM 598 OE1 GLN A 376 69.689 -3.109 -13.730 1.00 0.00 O ATOM 599 NE2 GLN A 376 70.757 -4.836 -12.848 1.00 0.00 N ATOM 0 H GLN A 376 68.298 -4.666 -9.449 1.00 0.00 H new ATOM 0 HA GLN A 376 69.433 -2.133 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 376 69.893 -1.873 -10.952 1.00 0.00 H new ATOM 0 HB3 GLN A 376 70.674 -3.250 -10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 376 68.960 -4.753 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 376 68.084 -3.395 -11.768 1.00 0.00 H new ATOM 0 HE21 GLN A 376 70.888 -5.454 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 376 71.313 -4.970 -13.692 1.00 0.00 H new ATOM 608 N GLY A 377 66.632 -1.847 -8.638 1.00 0.00 N ATOM 609 CA GLY A 377 65.397 -1.086 -8.766 1.00 0.00 C ATOM 610 C GLY A 377 65.622 0.406 -8.727 1.00 0.00 C ATOM 611 O GLY A 377 65.171 1.142 -9.604 1.00 0.00 O ATOM 0 H GLY A 377 66.681 -2.422 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 377 64.908 -1.351 -9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 377 64.717 -1.367 -7.962 1.00 0.00 H new ATOM 615 N ARG A 378 66.329 0.837 -7.713 1.00 0.00 N ATOM 616 CA ARG A 378 66.624 2.227 -7.477 1.00 0.00 C ATOM 617 C ARG A 378 67.510 2.776 -8.562 1.00 0.00 C ATOM 618 O ARG A 378 68.082 2.029 -9.360 1.00 0.00 O ATOM 619 CB ARG A 378 67.343 2.319 -6.177 1.00 0.00 C ATOM 620 CG ARG A 378 66.596 1.679 -5.041 1.00 0.00 C ATOM 621 CD ARG A 378 67.565 1.181 -4.064 1.00 0.00 C ATOM 622 NE ARG A 378 66.901 0.209 -3.281 1.00 0.00 N ATOM 623 CZ ARG A 378 66.790 -1.053 -3.683 1.00 0.00 C ATOM 624 NH1 ARG A 378 67.269 -1.406 -4.883 1.00 0.00 N ATOM 625 NH2 ARG A 378 66.209 -1.947 -2.917 1.00 0.00 N ATOM 0 H ARG A 378 66.726 0.213 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 378 65.698 2.802 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 378 68.319 1.844 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 378 67.521 3.368 -5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 378 65.926 2.401 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 378 65.976 0.861 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 378 68.430 0.747 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 378 67.934 1.994 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 378 66.497 0.483 -2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 378 67.714 -0.709 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 378 67.188 -2.372 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 378 65.839 -1.675 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 378 66.128 -2.914 -3.233 1.00 0.00 H new ATOM 639 N ARG A 379 67.646 4.061 -8.582 1.00 0.00 N ATOM 640 CA ARG A 379 68.477 4.700 -9.564 1.00 0.00 C ATOM 641 C ARG A 379 69.947 4.669 -9.153 1.00 0.00 C ATOM 642 O ARG A 379 70.823 4.996 -9.938 1.00 0.00 O ATOM 643 CB ARG A 379 67.979 6.118 -9.840 1.00 0.00 C ATOM 644 CG ARG A 379 67.887 7.015 -8.639 1.00 0.00 C ATOM 645 CD ARG A 379 67.069 8.232 -8.967 1.00 0.00 C ATOM 646 NE ARG A 379 67.716 9.105 -9.953 1.00 0.00 N ATOM 647 CZ ARG A 379 67.122 9.585 -11.050 1.00 0.00 C ATOM 648 NH1 ARG A 379 65.994 9.035 -11.506 1.00 0.00 N ATOM 649 NH2 ARG A 379 67.708 10.558 -11.737 1.00 0.00 N ATOM 0 H ARG A 379 67.192 4.698 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 379 68.406 4.141 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 379 68.643 6.582 -10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 379 66.993 6.055 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 379 67.434 6.476 -7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 379 68.886 7.313 -8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 379 66.097 7.919 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 379 66.885 8.797 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 379 68.689 9.364 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 379 65.579 8.242 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 379 65.547 9.408 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 379 68.604 10.933 -11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 379 67.262 10.930 -12.575 1.00 0.00 H new ATOM 663 N LYS A 380 70.211 4.277 -7.906 1.00 0.00 N ATOM 664 CA LYS A 380 71.537 4.215 -7.384 1.00 0.00 C ATOM 665 C LYS A 380 71.636 2.888 -6.665 1.00 0.00 C ATOM 666 O LYS A 380 70.611 2.187 -6.550 1.00 0.00 O ATOM 667 CB LYS A 380 71.661 5.317 -6.351 1.00 0.00 C ATOM 668 CG LYS A 380 71.026 6.606 -6.776 1.00 0.00 C ATOM 669 CD LYS A 380 70.673 7.467 -5.606 1.00 0.00 C ATOM 670 CE LYS A 380 69.803 8.620 -6.075 1.00 0.00 C ATOM 671 NZ LYS A 380 69.554 9.614 -5.020 1.00 0.00 N ATOM 0 H LYS A 380 69.491 3.996 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 380 72.300 4.319 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 380 71.203 4.985 -5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 380 72.716 5.492 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 380 71.708 7.147 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 380 70.127 6.394 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 380 70.145 6.880 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 380 71.579 7.848 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 380 70.283 9.109 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 380 68.850 8.228 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 380 68.529 9.735 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 380 69.978 9.287 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 380 69.979 10.523 -5.292 1.00 0.00 H new ATOM 685 N ARG A 381 72.813 2.555 -6.161 1.00 0.00 N ATOM 686 CA ARG A 381 72.969 1.370 -5.331 1.00 0.00 C ATOM 687 C ARG A 381 72.081 1.468 -4.104 1.00 0.00 C ATOM 688 O ARG A 381 71.823 2.549 -3.595 1.00 0.00 O ATOM 689 CB ARG A 381 74.435 1.122 -4.919 1.00 0.00 C ATOM 690 CG ARG A 381 75.258 2.326 -4.638 1.00 0.00 C ATOM 691 CD ARG A 381 76.571 1.937 -3.998 1.00 0.00 C ATOM 692 NE ARG A 381 77.315 3.101 -3.533 1.00 0.00 N ATOM 693 CZ ARG A 381 77.975 3.167 -2.371 1.00 0.00 C ATOM 694 NH1 ARG A 381 78.095 2.087 -1.601 1.00 0.00 N ATOM 695 NH2 ARG A 381 78.547 4.296 -2.003 1.00 0.00 N ATOM 0 H ARG A 381 73.671 3.085 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 381 72.662 0.515 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 381 74.437 0.492 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 381 74.921 0.554 -5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 381 75.446 2.869 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 381 74.712 3.000 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 381 76.382 1.268 -3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 381 77.175 1.383 -4.717 1.00 0.00 H new ATOM 0 HE ARG A 381 77.334 3.923 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 381 77.682 1.202 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 381 78.600 2.145 -0.716 1.00 0.00 H new ATOM 0 HH21 ARG A 381 78.486 5.118 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 381 79.050 4.348 -1.117 1.00 0.00 H new ATOM 709 N PHE A 382 71.627 0.361 -3.634 1.00 0.00 N ATOM 710 CA PHE A 382 70.709 0.325 -2.524 1.00 0.00 C ATOM 711 C PHE A 382 71.282 0.929 -1.255 1.00 0.00 C ATOM 712 O PHE A 382 70.596 1.615 -0.542 1.00 0.00 O ATOM 713 CB PHE A 382 70.224 -1.091 -2.277 1.00 0.00 C ATOM 714 CG PHE A 382 69.510 -1.255 -0.980 1.00 0.00 C ATOM 715 CD1 PHE A 382 68.329 -0.624 -0.762 1.00 0.00 C ATOM 716 CD2 PHE A 382 70.043 -2.013 0.022 1.00 0.00 C ATOM 717 CE1 PHE A 382 67.677 -0.734 0.410 1.00 0.00 C ATOM 718 CE2 PHE A 382 69.403 -2.124 1.211 1.00 0.00 C ATOM 719 CZ PHE A 382 68.208 -1.483 1.405 1.00 0.00 C ATOM 0 H PHE A 382 71.876 -0.557 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 382 69.860 0.949 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 382 69.559 -1.386 -3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 382 71.077 -1.769 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 382 67.902 -0.019 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 382 70.980 -2.527 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 382 66.735 -0.227 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 382 69.834 -2.717 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 382 67.691 -1.575 2.349 1.00 0.00 H new ATOM 729 N ASP A 383 72.519 0.695 -1.026 1.00 0.00 N ATOM 730 CA ASP A 383 73.205 1.140 0.187 1.00 0.00 C ATOM 731 C ASP A 383 73.201 2.646 0.267 1.00 0.00 C ATOM 732 O ASP A 383 72.983 3.239 1.325 1.00 0.00 O ATOM 733 CB ASP A 383 74.654 0.723 0.140 1.00 0.00 C ATOM 734 CG ASP A 383 74.888 -0.747 -0.093 1.00 0.00 C ATOM 735 OD1 ASP A 383 74.735 -1.545 0.848 1.00 0.00 O ATOM 736 OD2 ASP A 383 75.237 -1.138 -1.233 1.00 0.00 O ATOM 0 H ASP A 383 73.119 0.181 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 383 72.689 0.699 1.039 1.00 0.00 H new ATOM 0 HB2 ASP A 383 75.152 1.284 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 383 75.128 1.006 1.080 1.00 0.00 H new ATOM 741 N VAL A 384 73.414 3.243 -0.872 1.00 0.00 N ATOM 742 CA VAL A 384 73.546 4.662 -1.005 1.00 0.00 C ATOM 743 C VAL A 384 72.162 5.299 -0.888 1.00 0.00 C ATOM 744 O VAL A 384 71.998 6.395 -0.363 1.00 0.00 O ATOM 745 CB VAL A 384 74.218 4.970 -2.361 1.00 0.00 C ATOM 746 CG1 VAL A 384 73.261 5.084 -3.517 1.00 0.00 C ATOM 747 CG2 VAL A 384 75.159 6.114 -2.299 1.00 0.00 C ATOM 0 H VAL A 384 73.503 2.741 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 384 74.172 5.079 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 384 74.816 4.082 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 384 73.817 5.301 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 384 72.721 4.145 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 384 72.551 5.889 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 384 75.597 6.278 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 384 74.623 7.010 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 384 75.950 5.896 -1.582 1.00 0.00 H new ATOM 757 N LEU A 385 71.185 4.562 -1.363 1.00 0.00 N ATOM 758 CA LEU A 385 69.824 4.907 -1.330 1.00 0.00 C ATOM 759 C LEU A 385 69.314 4.798 0.112 1.00 0.00 C ATOM 760 O LEU A 385 68.588 5.665 0.605 1.00 0.00 O ATOM 761 CB LEU A 385 69.112 3.920 -2.277 1.00 0.00 C ATOM 762 CG LEU A 385 67.647 4.112 -2.532 1.00 0.00 C ATOM 763 CD1 LEU A 385 66.888 3.452 -1.411 1.00 0.00 C ATOM 764 CD2 LEU A 385 67.358 5.603 -2.629 1.00 0.00 C ATOM 0 H LEU A 385 71.352 3.657 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 385 69.637 5.931 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 385 69.624 3.954 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 385 69.251 2.916 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 385 67.334 3.656 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 385 65.817 3.578 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 385 67.129 2.389 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 385 67.168 3.911 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 385 66.295 5.756 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 385 67.637 6.089 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 385 67.935 6.033 -3.448 1.00 0.00 H new ATOM 776 N LEU A 386 69.695 3.726 0.774 1.00 0.00 N ATOM 777 CA LEU A 386 69.317 3.495 2.146 1.00 0.00 C ATOM 778 C LEU A 386 69.908 4.592 3.016 1.00 0.00 C ATOM 779 O LEU A 386 69.349 4.943 4.042 1.00 0.00 O ATOM 780 CB LEU A 386 69.860 2.183 2.628 1.00 0.00 C ATOM 781 CG LEU A 386 68.918 1.230 3.396 1.00 0.00 C ATOM 782 CD1 LEU A 386 69.707 0.114 4.041 1.00 0.00 C ATOM 783 CD2 LEU A 386 68.027 1.935 4.417 1.00 0.00 C ATOM 0 H LEU A 386 70.277 2.991 0.372 1.00 0.00 H new ATOM 0 HA LEU A 386 68.229 3.487 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 386 70.241 1.644 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 386 70.714 2.395 3.272 1.00 0.00 H new ATOM 0 HG LEU A 386 68.238 0.809 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 386 69.028 -0.548 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 386 70.233 -0.452 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 386 70.430 0.536 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 386 67.394 1.201 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 386 68.649 2.440 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 386 67.401 2.668 3.909 1.00 0.00 H new ATOM 795 N ALA A 387 71.049 5.120 2.597 1.00 0.00 N ATOM 796 CA ALA A 387 71.699 6.203 3.295 1.00 0.00 C ATOM 797 C ALA A 387 70.784 7.423 3.336 1.00 0.00 C ATOM 798 O ALA A 387 70.681 8.105 4.356 1.00 0.00 O ATOM 799 CB ALA A 387 73.024 6.518 2.635 1.00 0.00 C ATOM 0 H ALA A 387 71.545 4.805 1.763 1.00 0.00 H new ATOM 0 HA ALA A 387 71.900 5.906 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 387 73.510 7.336 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 387 73.664 5.636 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 387 72.854 6.809 1.598 1.00 0.00 H new ATOM 805 N GLU A 388 70.066 7.637 2.247 1.00 0.00 N ATOM 806 CA GLU A 388 69.103 8.712 2.132 1.00 0.00 C ATOM 807 C GLU A 388 67.932 8.399 3.033 1.00 0.00 C ATOM 808 O GLU A 388 67.374 9.281 3.695 1.00 0.00 O ATOM 809 CB GLU A 388 68.614 8.788 0.704 1.00 0.00 C ATOM 810 CG GLU A 388 69.713 8.868 -0.318 1.00 0.00 C ATOM 811 CD GLU A 388 69.197 9.038 -1.713 1.00 0.00 C ATOM 812 OE1 GLU A 388 68.182 9.740 -1.917 1.00 0.00 O ATOM 813 OE2 GLU A 388 69.827 8.530 -2.650 1.00 0.00 O ATOM 0 H GLU A 388 70.138 7.060 1.409 1.00 0.00 H new ATOM 0 HA GLU A 388 69.560 9.660 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 388 68.001 7.912 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 388 67.970 9.661 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 388 70.370 9.703 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 388 70.317 7.962 -0.267 1.00 0.00 H new ATOM 820 N HIS A 389 67.577 7.120 3.078 1.00 0.00 N ATOM 821 CA HIS A 389 66.525 6.673 3.929 1.00 0.00 C ATOM 822 C HIS A 389 66.852 6.932 5.345 1.00 0.00 C ATOM 823 O HIS A 389 66.061 7.439 6.019 1.00 0.00 O ATOM 824 CB HIS A 389 66.162 5.218 3.733 1.00 0.00 C ATOM 825 CG HIS A 389 65.053 4.803 4.605 1.00 0.00 C ATOM 826 ND1 HIS A 389 63.812 5.366 4.579 1.00 0.00 N ATOM 827 CD2 HIS A 389 65.067 3.970 5.626 1.00 0.00 C ATOM 828 CE1 HIS A 389 63.123 4.886 5.577 1.00 0.00 C ATOM 829 NE2 HIS A 389 63.855 4.028 6.215 1.00 0.00 N ATOM 0 H HIS A 389 68.016 6.384 2.525 1.00 0.00 H new ATOM 0 HA HIS A 389 65.646 7.251 3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 389 65.886 5.051 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 389 67.034 4.597 3.936 1.00 0.00 H new ATOM 0 HD1 HIS A 389 63.479 6.046 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 389 65.898 3.353 5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 389 62.109 5.159 5.830 1.00 0.00 H new ATOM 838 N LYS A 390 67.997 6.548 5.780 1.00 0.00 N ATOM 839 CA LYS A 390 68.410 6.783 7.149 1.00 0.00 C ATOM 840 C LYS A 390 68.588 8.231 7.456 1.00 0.00 C ATOM 841 O LYS A 390 68.465 8.625 8.579 1.00 0.00 O ATOM 842 CB LYS A 390 69.597 5.963 7.461 1.00 0.00 C ATOM 843 CG LYS A 390 69.351 4.519 7.049 1.00 0.00 C ATOM 844 CD LYS A 390 68.077 3.941 7.688 1.00 0.00 C ATOM 845 CE LYS A 390 68.342 3.519 9.101 1.00 0.00 C ATOM 846 NZ LYS A 390 69.427 2.497 9.192 1.00 0.00 N ATOM 0 H LYS A 390 68.688 6.060 5.210 1.00 0.00 H new ATOM 0 HA LYS A 390 67.606 6.464 7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 390 70.469 6.356 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 390 69.815 6.014 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 390 69.269 4.462 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 390 70.208 3.910 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 390 67.283 4.687 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 390 67.727 3.088 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 390 68.617 4.392 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 390 67.427 3.115 9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 69.304 1.936 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 69.383 1.869 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 70.351 2.973 9.217 1.00 0.00 H new ATOM 860 N ASN A 391 68.891 9.016 6.483 1.00 0.00 N ATOM 861 CA ASN A 391 68.929 10.438 6.719 1.00 0.00 C ATOM 862 C ASN A 391 67.524 10.974 7.074 1.00 0.00 C ATOM 863 O ASN A 391 67.377 11.924 7.866 1.00 0.00 O ATOM 864 CB ASN A 391 69.575 11.203 5.559 1.00 0.00 C ATOM 865 CG ASN A 391 71.069 11.369 5.730 1.00 0.00 C ATOM 866 OD1 ASN A 391 71.538 12.341 6.333 1.00 0.00 O ATOM 867 ND2 ASN A 391 71.831 10.447 5.215 1.00 0.00 N ATOM 0 H ASN A 391 69.113 8.719 5.533 1.00 0.00 H new ATOM 0 HA ASN A 391 69.571 10.613 7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 391 69.377 10.676 4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 391 69.112 12.186 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 391 72.845 10.515 5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 391 71.414 9.657 4.723 1.00 0.00 H new ATOM 874 N LYS A 392 66.500 10.354 6.495 1.00 0.00 N ATOM 875 CA LYS A 392 65.131 10.671 6.806 1.00 0.00 C ATOM 876 C LYS A 392 64.606 9.778 7.959 1.00 0.00 C ATOM 877 O LYS A 392 64.338 10.240 9.056 1.00 0.00 O ATOM 878 CB LYS A 392 64.262 10.444 5.577 1.00 0.00 C ATOM 879 CG LYS A 392 62.802 10.752 5.825 1.00 0.00 C ATOM 880 CD LYS A 392 62.512 12.236 5.899 1.00 0.00 C ATOM 881 CE LYS A 392 62.736 12.938 4.560 1.00 0.00 C ATOM 882 NZ LYS A 392 61.839 12.421 3.495 1.00 0.00 N ATOM 0 H LYS A 392 66.608 9.618 5.797 1.00 0.00 H new ATOM 0 HA LYS A 392 65.085 11.715 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 392 64.626 11.067 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 392 64.360 9.407 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 392 62.203 10.310 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 392 62.491 10.280 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 392 61.481 12.387 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 392 63.150 12.691 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 392 62.572 14.009 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 392 63.774 12.807 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 61.853 13.071 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 62.166 11.481 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 60.869 12.348 3.863 1.00 0.00 H new ATOM 896 N THR A 393 64.517 8.501 7.684 1.00 0.00 N ATOM 897 CA THR A 393 63.985 7.521 8.563 1.00 0.00 C ATOM 898 C THR A 393 65.068 6.510 8.993 1.00 0.00 C ATOM 899 O THR A 393 65.182 5.370 8.535 1.00 0.00 O ATOM 900 CB THR A 393 62.855 6.800 7.937 1.00 0.00 C ATOM 901 OG1 THR A 393 61.900 7.767 7.450 1.00 0.00 O ATOM 902 CG2 THR A 393 62.194 5.881 8.940 1.00 0.00 C ATOM 0 H THR A 393 64.832 8.110 6.796 1.00 0.00 H new ATOM 0 HA THR A 393 63.623 8.045 9.447 1.00 0.00 H new ATOM 0 HB THR A 393 63.224 6.193 7.110 1.00 0.00 H new ATOM 0 HG1 THR A 393 61.147 7.301 7.031 1.00 0.00 H new ATOM 0 HG21 THR A 393 61.365 5.358 8.463 1.00 0.00 H new ATOM 0 HG22 THR A 393 62.921 5.154 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 393 61.819 6.467 9.779 1.00 0.00 H new ATOM 910 N ARG A 394 65.923 7.078 9.655 1.00 0.00 N ATOM 911 CA ARG A 394 67.002 6.522 10.451 1.00 0.00 C ATOM 912 C ARG A 394 66.503 5.466 11.445 1.00 0.00 C ATOM 913 O ARG A 394 67.248 4.565 11.845 1.00 0.00 O ATOM 914 CB ARG A 394 67.624 7.713 11.162 1.00 0.00 C ATOM 915 CG ARG A 394 68.894 7.497 11.932 1.00 0.00 C ATOM 916 CD ARG A 394 69.868 6.590 11.252 1.00 0.00 C ATOM 917 NE ARG A 394 71.070 6.401 12.076 1.00 0.00 N ATOM 918 CZ ARG A 394 72.327 6.254 11.635 1.00 0.00 C ATOM 919 NH1 ARG A 394 72.611 6.350 10.342 1.00 0.00 N ATOM 920 NH2 ARG A 394 73.306 6.048 12.508 1.00 0.00 N ATOM 0 H ARG A 394 65.936 8.097 9.697 1.00 0.00 H new ATOM 0 HA ARG A 394 67.726 5.997 9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 394 67.815 8.484 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 394 66.881 8.114 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 394 69.371 8.462 12.105 1.00 0.00 H new ATOM 0 HG3 ARG A 394 68.648 7.083 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 394 69.399 5.625 11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 394 70.147 7.008 10.285 1.00 0.00 H new ATOM 0 HE ARG A 394 70.934 6.380 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 394 71.868 6.538 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 394 73.572 6.236 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 394 73.099 6.003 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 394 74.266 5.935 12.181 1.00 0.00 H new ATOM 934 N GLU A 395 65.264 5.595 11.790 1.00 0.00 N ATOM 935 CA GLU A 395 64.557 4.715 12.686 1.00 0.00 C ATOM 936 C GLU A 395 64.472 3.312 12.104 1.00 0.00 C ATOM 937 O GLU A 395 63.675 3.039 11.207 1.00 0.00 O ATOM 938 CB GLU A 395 63.169 5.245 12.873 1.00 0.00 C ATOM 939 CG GLU A 395 63.113 6.683 13.313 1.00 0.00 C ATOM 940 CD GLU A 395 61.700 7.188 13.270 1.00 0.00 C ATOM 941 OE1 GLU A 395 60.909 6.839 14.176 1.00 0.00 O ATOM 942 OE2 GLU A 395 61.324 7.883 12.300 1.00 0.00 O ATOM 0 H GLU A 395 64.680 6.354 11.441 1.00 0.00 H new ATOM 0 HA GLU A 395 65.089 4.669 13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 395 62.623 5.142 11.935 1.00 0.00 H new ATOM 0 HB3 GLU A 395 62.654 4.630 13.611 1.00 0.00 H new ATOM 0 HG2 GLU A 395 63.509 6.776 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 395 63.744 7.293 12.666 1.00 0.00 H new ATOM 949 N LYS A 396 65.325 2.476 12.565 1.00 0.00 N ATOM 950 CA LYS A 396 65.411 1.112 12.172 1.00 0.00 C ATOM 951 C LYS A 396 65.977 0.363 13.342 1.00 0.00 C ATOM 952 O LYS A 396 66.572 0.992 14.234 1.00 0.00 O ATOM 953 CB LYS A 396 66.354 1.006 10.958 1.00 0.00 C ATOM 954 CG LYS A 396 66.713 -0.407 10.553 1.00 0.00 C ATOM 955 CD LYS A 396 67.432 -0.430 9.247 1.00 0.00 C ATOM 956 CE LYS A 396 67.948 -1.837 8.915 1.00 0.00 C ATOM 957 NZ LYS A 396 66.881 -2.853 8.952 1.00 0.00 N ATOM 0 H LYS A 396 66.021 2.734 13.264 1.00 0.00 H new ATOM 0 HA LYS A 396 64.440 0.703 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 396 65.887 1.505 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 396 67.272 1.549 11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 396 67.338 -0.861 11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 396 65.807 -1.009 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 396 66.763 -0.090 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 396 68.269 0.268 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 396 68.403 -1.829 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 396 68.730 -2.110 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 67.239 -3.747 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 66.579 -3.003 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 66.071 -2.527 8.387 1.00 0.00 H new ATOM 971 N GLU A 397 65.773 -0.938 13.394 1.00 0.00 N ATOM 972 CA GLU A 397 66.418 -1.740 14.381 1.00 0.00 C ATOM 973 C GLU A 397 67.881 -1.837 13.972 1.00 0.00 C ATOM 974 O GLU A 397 68.269 -2.711 13.198 1.00 0.00 O ATOM 975 CB GLU A 397 65.790 -3.128 14.457 1.00 0.00 C ATOM 976 CG GLU A 397 64.288 -3.133 14.710 1.00 0.00 C ATOM 977 CD GLU A 397 63.878 -2.308 15.905 1.00 0.00 C ATOM 978 OE1 GLU A 397 64.361 -2.567 17.032 1.00 0.00 O ATOM 979 OE2 GLU A 397 63.073 -1.367 15.738 1.00 0.00 O ATOM 0 H GLU A 397 65.163 -1.451 12.758 1.00 0.00 H new ATOM 0 HA GLU A 397 66.313 -1.294 15.370 1.00 0.00 H new ATOM 0 HB2 GLU A 397 65.989 -3.654 13.523 1.00 0.00 H new ATOM 0 HB3 GLU A 397 66.281 -3.691 15.251 1.00 0.00 H new ATOM 0 HG2 GLU A 397 63.777 -2.755 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 397 63.955 -4.161 14.856 1.00 0.00 H new TER 986 GLU A 397 HETATM 987 ZN ZN A 500 60.710 -5.599 -0.298 1.00 0.00 ZN