USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 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 392 HIS HE2 : A 392 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 398 HIS HE2 : A 398 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 378 SER OG : rot 130:sc= -1.8! USER MOD Set 1.2: A 408 GLN : amide:sc= -1.98! K(o=-3.8!,f=1.9) USER MOD Single : A 367 SER OG : rot 54:sc= 0.0503 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.037) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 381 TYR OH : rot -105:sc= 0.886 USER MOD Single : A 384 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 394 GLN : amide:sc= -2.4! C(o=-2.4!,f=-1.5!) USER MOD Single : A 395 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.52) USER MOD Single : A 397 SER OG : rot 170:sc= 0 USER MOD Single : A 402 SER OG : rot 180:sc= 0 USER MOD Single : A 404 TYR OH : rot -99:sc= 1.08 USER MOD Single : A 412 GLN : amide:sc= -1.61! C(o=-1.6!,f=-1.6!) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.00776 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 -17.992 -10.379 -8.829 1.00 0.00 N ATOM 2 CA GLY A 363 -17.621 -11.207 -10.013 1.00 0.00 C ATOM 3 C GLY A 363 -16.307 -10.685 -10.612 1.00 0.00 C ATOM 4 O GLY A 363 -16.328 -9.847 -11.491 1.00 0.00 O ATOM 0 HA2 GLY A 363 -17.510 -12.251 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 363 -18.414 -11.169 -10.760 1.00 0.00 H new ATOM 10 N PRO A 364 -15.196 -11.195 -10.122 1.00 0.00 N ATOM 11 CA PRO A 364 -13.877 -10.751 -10.640 1.00 0.00 C ATOM 12 C PRO A 364 -13.635 -11.321 -12.047 1.00 0.00 C ATOM 13 O PRO A 364 -12.948 -12.314 -12.205 1.00 0.00 O ATOM 14 CB PRO A 364 -12.881 -11.333 -9.640 1.00 0.00 C ATOM 15 CG PRO A 364 -13.579 -12.509 -9.036 1.00 0.00 C ATOM 16 CD PRO A 364 -15.056 -12.209 -9.063 1.00 0.00 C ATOM 0 HA PRO A 364 -13.796 -9.668 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 364 -11.957 -11.634 -10.133 1.00 0.00 H new ATOM 0 HB3 PRO A 364 -12.612 -10.600 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 364 -13.360 -13.417 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 364 -13.238 -12.676 -8.014 1.00 0.00 H new ATOM 0 HD2 PRO A 364 -15.640 -13.102 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 364 -15.404 -11.832 -8.101 1.00 0.00 H new ATOM 24 N LEU A 365 -14.190 -10.705 -13.072 1.00 0.00 N ATOM 25 CA LEU A 365 -13.983 -11.221 -14.458 1.00 0.00 C ATOM 26 C LEU A 365 -13.722 -10.056 -15.425 1.00 0.00 C ATOM 27 O LEU A 365 -14.325 -9.005 -15.307 1.00 0.00 O ATOM 28 CB LEU A 365 -15.289 -11.933 -14.814 1.00 0.00 C ATOM 29 CG LEU A 365 -15.145 -12.611 -16.177 1.00 0.00 C ATOM 30 CD1 LEU A 365 -14.636 -14.041 -15.985 1.00 0.00 C ATOM 31 CD2 LEU A 365 -16.508 -12.646 -16.873 1.00 0.00 C ATOM 0 H LEU A 365 -14.774 -9.871 -13.003 1.00 0.00 H new ATOM 0 HA LEU A 365 -13.124 -11.888 -14.527 1.00 0.00 H new ATOM 0 HB2 LEU A 365 -15.532 -12.673 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 365 -16.111 -11.218 -14.837 1.00 0.00 H new ATOM 0 HG LEU A 365 -14.436 -12.052 -16.788 1.00 0.00 H new ATOM 0 HD11 LEU A 365 -14.533 -14.524 -16.957 1.00 0.00 H new ATOM 0 HD12 LEU A 365 -13.667 -14.018 -15.487 1.00 0.00 H new ATOM 0 HD13 LEU A 365 -15.345 -14.601 -15.375 1.00 0.00 H new ATOM 0 HD21 LEU A 365 -16.408 -13.129 -17.845 1.00 0.00 H new ATOM 0 HD22 LEU A 365 -17.215 -13.206 -16.261 1.00 0.00 H new ATOM 0 HD23 LEU A 365 -16.873 -11.628 -17.010 1.00 0.00 H new ATOM 43 N GLY A 366 -12.831 -10.229 -16.381 1.00 0.00 N ATOM 44 CA GLY A 366 -12.545 -9.125 -17.345 1.00 0.00 C ATOM 45 C GLY A 366 -11.111 -8.617 -17.131 1.00 0.00 C ATOM 46 O GLY A 366 -10.184 -9.399 -17.036 1.00 0.00 O ATOM 0 H GLY A 366 -12.296 -11.084 -16.530 1.00 0.00 H new ATOM 0 HA2 GLY A 366 -12.667 -9.480 -18.368 1.00 0.00 H new ATOM 0 HA3 GLY A 366 -13.256 -8.311 -17.203 1.00 0.00 H new ATOM 50 N SER A 367 -10.917 -7.315 -17.056 1.00 0.00 N ATOM 51 CA SER A 367 -9.541 -6.774 -16.850 1.00 0.00 C ATOM 52 C SER A 367 -9.581 -5.572 -15.893 1.00 0.00 C ATOM 53 O SER A 367 -9.744 -4.444 -16.320 1.00 0.00 O ATOM 54 CB SER A 367 -9.075 -6.338 -18.239 1.00 0.00 C ATOM 55 OG SER A 367 -10.160 -5.731 -18.928 1.00 0.00 O ATOM 0 H SER A 367 -11.653 -6.612 -17.129 1.00 0.00 H new ATOM 0 HA SER A 367 -8.870 -7.510 -16.407 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.245 -5.636 -18.153 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.709 -7.198 -18.799 1.00 0.00 H new ATOM 0 HG SER A 367 -10.536 -5.012 -18.378 1.00 0.00 H new ATOM 61 N GLY A 368 -9.432 -5.799 -14.603 1.00 0.00 N ATOM 62 CA GLY A 368 -9.463 -4.664 -13.635 1.00 0.00 C ATOM 63 C GLY A 368 -8.104 -4.553 -12.930 1.00 0.00 C ATOM 64 O GLY A 368 -7.792 -5.338 -12.054 1.00 0.00 O ATOM 0 H GLY A 368 -9.291 -6.720 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -9.691 -3.734 -14.156 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -10.253 -4.820 -12.901 1.00 0.00 H new ATOM 68 N SER A 369 -7.290 -3.585 -13.300 1.00 0.00 N ATOM 69 CA SER A 369 -5.957 -3.434 -12.644 1.00 0.00 C ATOM 70 C SER A 369 -5.675 -1.952 -12.352 1.00 0.00 C ATOM 71 O SER A 369 -5.900 -1.101 -13.193 1.00 0.00 O ATOM 72 CB SER A 369 -4.953 -3.982 -13.657 1.00 0.00 C ATOM 73 OG SER A 369 -4.814 -5.384 -13.470 1.00 0.00 O ATOM 0 H SER A 369 -7.496 -2.898 -14.026 1.00 0.00 H new ATOM 0 HA SER A 369 -5.903 -3.961 -11.691 1.00 0.00 H new ATOM 0 HB2 SER A 369 -5.291 -3.771 -14.672 1.00 0.00 H new ATOM 0 HB3 SER A 369 -3.988 -3.490 -13.533 1.00 0.00 H new ATOM 0 HG SER A 369 -4.172 -5.739 -14.120 1.00 0.00 H new ATOM 79 N GLU A 370 -5.186 -1.632 -11.171 1.00 0.00 N ATOM 80 CA GLU A 370 -4.897 -0.202 -10.843 1.00 0.00 C ATOM 81 C GLU A 370 -3.468 -0.059 -10.297 1.00 0.00 C ATOM 82 O GLU A 370 -2.713 -1.012 -10.275 1.00 0.00 O ATOM 83 CB GLU A 370 -5.920 0.172 -9.769 1.00 0.00 C ATOM 84 CG GLU A 370 -7.172 0.747 -10.434 1.00 0.00 C ATOM 85 CD GLU A 370 -7.072 2.273 -10.481 1.00 0.00 C ATOM 86 OE1 GLU A 370 -6.055 2.766 -10.944 1.00 0.00 O ATOM 87 OE2 GLU A 370 -8.011 2.923 -10.055 1.00 0.00 O ATOM 0 H GLU A 370 -4.977 -2.298 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 370 -4.968 0.444 -11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -6.180 -0.706 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -5.492 0.903 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -7.276 0.348 -11.443 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -8.061 0.447 -9.879 1.00 0.00 H new ATOM 94 N GLY A 371 -3.089 1.125 -9.857 1.00 0.00 N ATOM 95 CA GLY A 371 -1.710 1.315 -9.317 1.00 0.00 C ATOM 96 C GLY A 371 -0.816 1.934 -10.401 1.00 0.00 C ATOM 97 O GLY A 371 0.281 1.465 -10.643 1.00 0.00 O ATOM 0 H GLY A 371 -3.676 1.959 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 371 -1.737 1.962 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -1.299 0.358 -8.995 1.00 0.00 H new ATOM 101 N ASN A 372 -1.270 2.982 -11.059 1.00 0.00 N ATOM 102 CA ASN A 372 -0.435 3.618 -12.124 1.00 0.00 C ATOM 103 C ASN A 372 -0.701 5.132 -12.182 1.00 0.00 C ATOM 104 O ASN A 372 0.169 5.926 -11.876 1.00 0.00 O ATOM 105 CB ASN A 372 -0.872 2.943 -13.425 1.00 0.00 C ATOM 106 CG ASN A 372 0.004 1.711 -13.684 1.00 0.00 C ATOM 107 OD1 ASN A 372 1.011 1.805 -14.357 1.00 0.00 O ATOM 108 ND2 ASN A 372 -0.335 0.550 -13.178 1.00 0.00 N ATOM 0 H ASN A 372 -2.178 3.418 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 372 0.632 3.495 -11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 372 -1.920 2.650 -13.360 1.00 0.00 H new ATOM 0 HB3 ASN A 372 -0.788 3.643 -14.256 1.00 0.00 H new ATOM 0 HD21 ASN A 372 0.246 -0.270 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 372 -1.180 0.467 -12.612 1.00 0.00 H new ATOM 115 N LYS A 373 -1.892 5.541 -12.571 1.00 0.00 N ATOM 116 CA LYS A 373 -2.195 7.003 -12.640 1.00 0.00 C ATOM 117 C LYS A 373 -3.502 7.309 -11.895 1.00 0.00 C ATOM 118 O LYS A 373 -4.362 8.003 -12.405 1.00 0.00 O ATOM 119 CB LYS A 373 -2.335 7.312 -14.133 1.00 0.00 C ATOM 120 CG LYS A 373 -1.034 7.928 -14.653 1.00 0.00 C ATOM 121 CD LYS A 373 -0.094 6.819 -15.124 1.00 0.00 C ATOM 122 CE LYS A 373 1.196 7.442 -15.665 1.00 0.00 C ATOM 123 NZ LYS A 373 2.169 6.316 -15.735 1.00 0.00 N ATOM 0 H LYS A 373 -2.659 4.925 -12.841 1.00 0.00 H new ATOM 0 HA LYS A 373 -1.418 7.609 -12.174 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -2.563 6.400 -14.684 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -3.165 7.999 -14.296 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -1.247 8.612 -15.475 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -0.557 8.513 -13.867 1.00 0.00 H new ATOM 0 HD2 LYS A 373 0.133 6.145 -14.298 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -0.576 6.223 -15.899 1.00 0.00 H new ATOM 0 HE2 LYS A 373 1.037 7.888 -16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 373 1.556 8.235 -15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 3.079 6.666 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 2.306 5.916 -14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 1.803 5.580 -16.372 1.00 0.00 H new ATOM 137 N VAL A 374 -3.657 6.804 -10.690 1.00 0.00 N ATOM 138 CA VAL A 374 -4.905 7.076 -9.919 1.00 0.00 C ATOM 139 C VAL A 374 -4.583 7.168 -8.417 1.00 0.00 C ATOM 140 O VAL A 374 -3.576 6.655 -7.966 1.00 0.00 O ATOM 141 CB VAL A 374 -5.825 5.885 -10.212 1.00 0.00 C ATOM 142 CG1 VAL A 374 -7.146 6.056 -9.457 1.00 0.00 C ATOM 143 CG2 VAL A 374 -6.110 5.813 -11.714 1.00 0.00 C ATOM 0 H VAL A 374 -2.972 6.218 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 374 -5.373 8.020 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 374 -5.335 4.967 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.798 5.208 -9.667 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -6.949 6.106 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.633 6.976 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -6.764 4.966 -11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -6.596 6.734 -12.037 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -5.173 5.688 -12.257 1.00 0.00 H new ATOM 153 N LYS A 375 -5.428 7.811 -7.638 1.00 0.00 N ATOM 154 CA LYS A 375 -5.146 7.915 -6.161 1.00 0.00 C ATOM 155 C LYS A 375 -5.558 6.614 -5.455 1.00 0.00 C ATOM 156 O LYS A 375 -6.628 6.527 -4.885 1.00 0.00 O ATOM 157 CB LYS A 375 -5.972 9.094 -5.627 1.00 0.00 C ATOM 158 CG LYS A 375 -5.123 10.365 -5.652 1.00 0.00 C ATOM 159 CD LYS A 375 -6.037 11.591 -5.650 1.00 0.00 C ATOM 160 CE LYS A 375 -5.188 12.863 -5.687 1.00 0.00 C ATOM 161 NZ LYS A 375 -4.957 13.213 -4.258 1.00 0.00 N ATOM 0 H LYS A 375 -6.287 8.262 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 375 -4.083 8.073 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 375 -6.867 9.230 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 375 -6.306 8.887 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 375 -4.462 10.390 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 375 -4.488 10.373 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 375 -6.704 11.561 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 375 -6.666 11.587 -4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 375 -4.246 12.694 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 375 -5.704 13.667 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 375 -4.381 14.077 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 375 -5.871 13.375 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 375 -4.458 12.432 -3.786 1.00 0.00 H new ATOM 175 N ARG A 376 -4.715 5.598 -5.491 1.00 0.00 N ATOM 176 CA ARG A 376 -5.077 4.303 -4.817 1.00 0.00 C ATOM 177 C ARG A 376 -5.435 4.539 -3.345 1.00 0.00 C ATOM 178 O ARG A 376 -4.876 5.399 -2.690 1.00 0.00 O ATOM 179 CB ARG A 376 -3.857 3.361 -4.924 1.00 0.00 C ATOM 180 CG ARG A 376 -4.106 2.287 -5.994 1.00 0.00 C ATOM 181 CD ARG A 376 -5.379 1.484 -5.657 1.00 0.00 C ATOM 182 NE ARG A 376 -6.438 1.910 -6.646 1.00 0.00 N ATOM 183 CZ ARG A 376 -7.489 1.141 -6.890 1.00 0.00 C ATOM 184 NH1 ARG A 376 -7.678 0.012 -6.247 1.00 0.00 N ATOM 185 NH2 ARG A 376 -8.374 1.524 -7.774 1.00 0.00 N ATOM 0 H ARG A 376 -3.805 5.610 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 376 -5.948 3.860 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 376 -2.966 3.936 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 376 -3.669 2.888 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 376 -4.211 2.756 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 376 -3.249 1.616 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 376 -5.191 0.413 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 376 -5.702 1.682 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 376 -6.343 2.801 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 376 -7.007 -0.291 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 376 -8.496 -0.562 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 376 -8.252 2.408 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 376 -9.186 0.939 -7.969 1.00 0.00 H new ATOM 199 N THR A 377 -6.357 3.763 -2.821 1.00 0.00 N ATOM 200 CA THR A 377 -6.745 3.925 -1.384 1.00 0.00 C ATOM 201 C THR A 377 -5.540 3.512 -0.529 1.00 0.00 C ATOM 202 O THR A 377 -4.966 2.464 -0.752 1.00 0.00 O ATOM 203 CB THR A 377 -7.962 2.991 -1.182 1.00 0.00 C ATOM 204 OG1 THR A 377 -9.126 3.642 -1.671 1.00 0.00 O ATOM 205 CG2 THR A 377 -8.170 2.639 0.299 1.00 0.00 C ATOM 0 H THR A 377 -6.854 3.029 -3.325 1.00 0.00 H new ATOM 0 HA THR A 377 -7.013 4.943 -1.102 1.00 0.00 H new ATOM 0 HB THR A 377 -7.775 2.065 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 377 -9.903 3.058 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 377 -9.034 1.982 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 377 -7.283 2.133 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 377 -8.341 3.552 0.869 1.00 0.00 H new ATOM 213 N SER A 378 -5.135 4.321 0.430 1.00 0.00 N ATOM 214 CA SER A 378 -3.935 3.942 1.268 1.00 0.00 C ATOM 215 C SER A 378 -4.093 2.517 1.822 1.00 0.00 C ATOM 216 O SER A 378 -5.186 1.982 1.855 1.00 0.00 O ATOM 217 CB SER A 378 -3.870 4.948 2.427 1.00 0.00 C ATOM 218 OG SER A 378 -5.154 5.528 2.620 1.00 0.00 O ATOM 0 H SER A 378 -5.572 5.211 0.668 1.00 0.00 H new ATOM 0 HA SER A 378 -3.024 3.965 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 378 -3.543 4.448 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 378 -3.137 5.724 2.209 1.00 0.00 H new ATOM 0 HG SER A 378 -5.399 5.472 3.567 1.00 0.00 H new ATOM 224 N CYS A 379 -3.020 1.898 2.265 1.00 0.00 N ATOM 225 CA CYS A 379 -3.139 0.505 2.827 1.00 0.00 C ATOM 226 C CYS A 379 -3.663 0.568 4.272 1.00 0.00 C ATOM 227 O CYS A 379 -3.510 1.575 4.940 1.00 0.00 O ATOM 228 CB CYS A 379 -1.716 -0.079 2.800 1.00 0.00 C ATOM 229 SG CYS A 379 -1.751 -1.819 3.287 1.00 0.00 S ATOM 0 H CYS A 379 -2.078 2.289 2.263 1.00 0.00 H new ATOM 0 HA CYS A 379 -3.833 -0.108 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 379 -1.293 0.019 1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 379 -1.071 0.483 3.475 1.00 0.00 H new ATOM 234 N MET A 380 -4.267 -0.494 4.772 1.00 0.00 N ATOM 235 CA MET A 380 -4.778 -0.462 6.195 1.00 0.00 C ATOM 236 C MET A 380 -3.610 -0.277 7.192 1.00 0.00 C ATOM 237 O MET A 380 -3.782 0.323 8.237 1.00 0.00 O ATOM 238 CB MET A 380 -5.492 -1.813 6.445 1.00 0.00 C ATOM 239 CG MET A 380 -4.486 -2.973 6.394 1.00 0.00 C ATOM 240 SD MET A 380 -5.313 -4.516 6.851 1.00 0.00 S ATOM 241 CE MET A 380 -4.344 -5.611 5.786 1.00 0.00 C ATOM 0 H MET A 380 -4.427 -1.367 4.269 1.00 0.00 H new ATOM 0 HA MET A 380 -5.461 0.375 6.341 1.00 0.00 H new ATOM 0 HB2 MET A 380 -5.986 -1.795 7.416 1.00 0.00 H new ATOM 0 HB3 MET A 380 -6.269 -1.964 5.695 1.00 0.00 H new ATOM 0 HG2 MET A 380 -4.064 -3.058 5.393 1.00 0.00 H new ATOM 0 HG3 MET A 380 -3.657 -2.778 7.074 1.00 0.00 H new ATOM 0 HE1 MET A 380 -4.690 -6.637 5.908 1.00 0.00 H new ATOM 0 HE2 MET A 380 -4.466 -5.308 4.746 1.00 0.00 H new ATOM 0 HE3 MET A 380 -3.291 -5.548 6.061 1.00 0.00 H new ATOM 251 N TYR A 381 -2.425 -0.773 6.878 1.00 0.00 N ATOM 252 CA TYR A 381 -1.271 -0.596 7.826 1.00 0.00 C ATOM 253 C TYR A 381 -0.670 0.811 7.675 1.00 0.00 C ATOM 254 O TYR A 381 -0.202 1.387 8.640 1.00 0.00 O ATOM 255 CB TYR A 381 -0.224 -1.663 7.467 1.00 0.00 C ATOM 256 CG TYR A 381 -0.473 -2.915 8.276 1.00 0.00 C ATOM 257 CD1 TYR A 381 -0.028 -2.993 9.624 1.00 0.00 C ATOM 258 CD2 TYR A 381 -1.148 -4.019 7.689 1.00 0.00 C ATOM 259 CE1 TYR A 381 -0.257 -4.174 10.383 1.00 0.00 C ATOM 260 CE2 TYR A 381 -1.379 -5.200 8.447 1.00 0.00 C ATOM 261 CZ TYR A 381 -0.933 -5.276 9.794 1.00 0.00 C ATOM 262 OH TYR A 381 -1.155 -6.422 10.531 1.00 0.00 O ATOM 0 H TYR A 381 -2.213 -1.283 6.021 1.00 0.00 H new ATOM 0 HA TYR A 381 -1.598 -0.707 8.860 1.00 0.00 H new ATOM 0 HB2 TYR A 381 -0.274 -1.891 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 381 0.778 -1.284 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 381 0.484 -2.155 10.072 1.00 0.00 H new ATOM 0 HD2 TYR A 381 -1.486 -3.961 6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 381 0.083 -4.233 11.406 1.00 0.00 H new ATOM 0 HE2 TYR A 381 -1.893 -6.038 7.999 1.00 0.00 H new ATOM 0 HH TYR A 381 -0.532 -7.122 10.243 1.00 0.00 H new ATOM 272 N GLY A 382 -0.680 1.380 6.482 1.00 0.00 N ATOM 273 CA GLY A 382 -0.109 2.744 6.302 1.00 0.00 C ATOM 274 C GLY A 382 1.419 2.644 6.216 1.00 0.00 C ATOM 275 O GLY A 382 1.970 2.496 5.145 1.00 0.00 O ATOM 0 H GLY A 382 -1.059 0.953 5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 382 -0.507 3.201 5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -0.397 3.385 7.135 1.00 0.00 H new ATOM 279 N ALA A 383 2.106 2.712 7.334 1.00 0.00 N ATOM 280 CA ALA A 383 3.599 2.609 7.295 1.00 0.00 C ATOM 281 C ALA A 383 4.110 1.268 7.866 1.00 0.00 C ATOM 282 O ALA A 383 5.303 1.023 7.851 1.00 0.00 O ATOM 283 CB ALA A 383 4.104 3.776 8.146 1.00 0.00 C ATOM 0 H ALA A 383 1.701 2.833 8.262 1.00 0.00 H new ATOM 0 HA ALA A 383 3.962 2.649 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.194 3.767 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 383 3.756 4.716 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 383 3.722 3.677 9.162 1.00 0.00 H new ATOM 289 N ASN A 384 3.251 0.399 8.380 1.00 0.00 N ATOM 290 CA ASN A 384 3.758 -0.893 8.947 1.00 0.00 C ATOM 291 C ASN A 384 3.301 -2.121 8.130 1.00 0.00 C ATOM 292 O ASN A 384 3.353 -3.226 8.635 1.00 0.00 O ATOM 293 CB ASN A 384 3.168 -0.959 10.359 1.00 0.00 C ATOM 294 CG ASN A 384 4.075 -0.197 11.333 1.00 0.00 C ATOM 295 OD1 ASN A 384 4.971 -0.775 11.917 1.00 0.00 O ATOM 296 ND2 ASN A 384 3.883 1.083 11.539 1.00 0.00 N ATOM 0 H ASN A 384 2.241 0.532 8.428 1.00 0.00 H new ATOM 0 HA ASN A 384 4.848 -0.918 8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 384 2.167 -0.528 10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 384 3.070 -1.998 10.675 1.00 0.00 H new ATOM 0 HD21 ASN A 384 4.484 1.591 12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 384 3.132 1.571 11.051 1.00 0.00 H new ATOM 303 N CYS A 385 2.843 -1.962 6.890 1.00 0.00 N ATOM 304 CA CYS A 385 2.384 -3.166 6.080 1.00 0.00 C ATOM 305 C CYS A 385 3.394 -4.326 6.200 1.00 0.00 C ATOM 306 O CYS A 385 4.592 -4.114 6.150 1.00 0.00 O ATOM 307 CB CYS A 385 2.301 -2.693 4.615 1.00 0.00 C ATOM 308 SG CYS A 385 1.358 -3.888 3.625 1.00 0.00 S ATOM 0 H CYS A 385 2.768 -1.065 6.410 1.00 0.00 H new ATOM 0 HA CYS A 385 1.424 -3.534 6.442 1.00 0.00 H new ATOM 0 HB2 CYS A 385 1.825 -1.714 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.304 -2.580 4.204 1.00 0.00 H new ATOM 313 N TYR A 386 2.923 -5.544 6.365 1.00 0.00 N ATOM 314 CA TYR A 386 3.875 -6.694 6.493 1.00 0.00 C ATOM 315 C TYR A 386 3.705 -7.714 5.342 1.00 0.00 C ATOM 316 O TYR A 386 4.686 -8.224 4.832 1.00 0.00 O ATOM 317 CB TYR A 386 3.594 -7.320 7.875 1.00 0.00 C ATOM 318 CG TYR A 386 2.275 -8.063 7.886 1.00 0.00 C ATOM 319 CD1 TYR A 386 2.210 -9.396 7.397 1.00 0.00 C ATOM 320 CD2 TYR A 386 1.105 -7.431 8.385 1.00 0.00 C ATOM 321 CE1 TYR A 386 0.974 -10.097 7.406 1.00 0.00 C ATOM 322 CE2 TYR A 386 -0.131 -8.132 8.396 1.00 0.00 C ATOM 323 CZ TYR A 386 -0.196 -9.466 7.907 1.00 0.00 C ATOM 324 OH TYR A 386 -1.397 -10.147 7.916 1.00 0.00 O ATOM 0 H TYR A 386 1.934 -5.787 6.416 1.00 0.00 H new ATOM 0 HA TYR A 386 4.911 -6.362 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 386 4.401 -8.004 8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 386 3.579 -6.538 8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 386 3.100 -9.876 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 386 1.155 -6.418 8.756 1.00 0.00 H new ATOM 0 HE1 TYR A 386 0.924 -11.109 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 386 -1.021 -7.652 8.776 1.00 0.00 H new ATOM 0 HH TYR A 386 -2.096 -9.572 8.292 1.00 0.00 H new ATOM 334 N ARG A 387 2.488 -8.029 4.930 1.00 0.00 N ATOM 335 CA ARG A 387 2.316 -9.034 3.817 1.00 0.00 C ATOM 336 C ARG A 387 3.100 -8.587 2.574 1.00 0.00 C ATOM 337 O ARG A 387 3.387 -7.416 2.410 1.00 0.00 O ATOM 338 CB ARG A 387 0.809 -9.108 3.509 1.00 0.00 C ATOM 339 CG ARG A 387 0.279 -7.725 3.095 1.00 0.00 C ATOM 340 CD ARG A 387 -0.808 -7.259 4.074 1.00 0.00 C ATOM 341 NE ARG A 387 -1.853 -8.331 4.045 1.00 0.00 N ATOM 342 CZ ARG A 387 -2.728 -8.417 3.054 1.00 0.00 C ATOM 343 NH1 ARG A 387 -2.709 -7.573 2.048 1.00 0.00 N ATOM 344 NH2 ARG A 387 -3.630 -9.364 3.070 1.00 0.00 N ATOM 0 H ARG A 387 1.623 -7.642 5.308 1.00 0.00 H new ATOM 0 HA ARG A 387 2.697 -10.012 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 387 0.629 -9.828 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 387 0.269 -9.464 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 387 1.097 -7.004 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 387 -0.127 -7.771 2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 387 -0.404 -7.131 5.078 1.00 0.00 H new ATOM 0 HD3 ARG A 387 -1.223 -6.297 3.772 1.00 0.00 H new ATOM 0 HE ARG A 387 -1.892 -9.010 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 387 -2.010 -6.831 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 387 -3.393 -7.660 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 387 -3.657 -10.030 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 387 -4.307 -9.436 2.310 1.00 0.00 H new ATOM 358 N LYS A 388 3.457 -9.506 1.701 1.00 0.00 N ATOM 359 CA LYS A 388 4.229 -9.115 0.483 1.00 0.00 C ATOM 360 C LYS A 388 3.556 -9.660 -0.786 1.00 0.00 C ATOM 361 O LYS A 388 4.092 -10.527 -1.453 1.00 0.00 O ATOM 362 CB LYS A 388 5.621 -9.729 0.672 1.00 0.00 C ATOM 363 CG LYS A 388 5.517 -11.256 0.798 1.00 0.00 C ATOM 364 CD LYS A 388 6.596 -11.918 -0.063 1.00 0.00 C ATOM 365 CE LYS A 388 6.267 -13.400 -0.254 1.00 0.00 C ATOM 366 NZ LYS A 388 7.588 -14.087 -0.265 1.00 0.00 N ATOM 0 H LYS A 388 3.247 -10.501 1.782 1.00 0.00 H new ATOM 0 HA LYS A 388 4.279 -8.033 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.258 -9.470 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 388 6.091 -9.315 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.636 -11.554 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 388 4.529 -11.591 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.657 -11.422 -1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.571 -11.810 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 388 5.635 -13.772 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.726 -13.568 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 7.447 -15.109 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 8.165 -13.717 -1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 8.076 -13.915 0.637 1.00 0.00 H new ATOM 380 N ASN A 389 2.392 -9.155 -1.136 1.00 0.00 N ATOM 381 CA ASN A 389 1.708 -9.643 -2.369 1.00 0.00 C ATOM 382 C ASN A 389 1.692 -8.528 -3.426 1.00 0.00 C ATOM 383 O ASN A 389 1.543 -7.371 -3.082 1.00 0.00 O ATOM 384 CB ASN A 389 0.281 -9.984 -1.937 1.00 0.00 C ATOM 385 CG ASN A 389 0.190 -11.475 -1.585 1.00 0.00 C ATOM 386 OD1 ASN A 389 0.876 -11.939 -0.697 1.00 0.00 O ATOM 387 ND2 ASN A 389 -0.632 -12.253 -2.246 1.00 0.00 N ATOM 0 H ASN A 389 1.893 -8.430 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 389 2.212 -10.505 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 389 -0.003 -9.379 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 389 -0.419 -9.746 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 389 -0.694 -13.244 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 389 -1.210 -11.867 -2.993 1.00 0.00 H new ATOM 394 N PRO A 390 1.843 -8.898 -4.680 1.00 0.00 N ATOM 395 CA PRO A 390 1.834 -7.883 -5.756 1.00 0.00 C ATOM 396 C PRO A 390 0.418 -7.295 -5.936 1.00 0.00 C ATOM 397 O PRO A 390 0.203 -6.143 -5.629 1.00 0.00 O ATOM 398 CB PRO A 390 2.340 -8.641 -6.984 1.00 0.00 C ATOM 399 CG PRO A 390 2.081 -10.091 -6.708 1.00 0.00 C ATOM 400 CD PRO A 390 2.025 -10.263 -5.209 1.00 0.00 C ATOM 0 HA PRO A 390 2.462 -7.017 -5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 390 1.820 -8.316 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 390 3.402 -8.458 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 390 1.144 -10.407 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 390 2.870 -10.710 -7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 390 1.201 -10.914 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 390 2.940 -10.716 -4.828 1.00 0.00 H new ATOM 408 N VAL A 391 -0.533 -8.056 -6.452 1.00 0.00 N ATOM 409 CA VAL A 391 -1.942 -7.522 -6.669 1.00 0.00 C ATOM 410 C VAL A 391 -2.415 -6.581 -5.528 1.00 0.00 C ATOM 411 O VAL A 391 -3.149 -5.640 -5.765 1.00 0.00 O ATOM 412 CB VAL A 391 -2.841 -8.768 -6.756 1.00 0.00 C ATOM 413 CG1 VAL A 391 -2.988 -9.437 -5.381 1.00 0.00 C ATOM 414 CG2 VAL A 391 -4.220 -8.369 -7.285 1.00 0.00 C ATOM 0 H VAL A 391 -0.399 -9.027 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 391 -1.982 -6.912 -7.572 1.00 0.00 H new ATOM 0 HB VAL A 391 -2.377 -9.482 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -3.628 -10.315 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -2.006 -9.739 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -3.434 -8.732 -4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -4.856 -9.252 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -4.672 -7.642 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -4.116 -7.928 -8.276 1.00 0.00 H new ATOM 424 N HIS A 392 -1.972 -6.803 -4.308 1.00 0.00 N ATOM 425 CA HIS A 392 -2.371 -5.887 -3.172 1.00 0.00 C ATOM 426 C HIS A 392 -1.700 -4.510 -3.372 1.00 0.00 C ATOM 427 O HIS A 392 -2.322 -3.480 -3.195 1.00 0.00 O ATOM 428 CB HIS A 392 -1.841 -6.580 -1.891 1.00 0.00 C ATOM 429 CG HIS A 392 -1.775 -5.628 -0.719 1.00 0.00 C ATOM 430 ND1 HIS A 392 -2.836 -5.447 0.154 1.00 0.00 N ATOM 431 CD2 HIS A 392 -0.766 -4.818 -0.255 1.00 0.00 C ATOM 432 CE1 HIS A 392 -2.444 -4.564 1.092 1.00 0.00 C ATOM 433 NE2 HIS A 392 -1.190 -4.149 0.890 1.00 0.00 N ATOM 0 H HIS A 392 -1.355 -7.572 -4.046 1.00 0.00 H new ATOM 0 HA HIS A 392 -3.447 -5.720 -3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 392 -2.488 -7.421 -1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 392 -0.849 -6.988 -2.083 1.00 0.00 H new ATOM 0 HD1 HIS A 392 -3.748 -5.900 0.096 1.00 0.00 H new ATOM 0 HD2 HIS A 392 0.208 -4.716 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 392 -3.068 -4.231 1.909 1.00 0.00 H new ATOM 441 N PHE A 393 -0.438 -4.491 -3.768 1.00 0.00 N ATOM 442 CA PHE A 393 0.253 -3.170 -4.007 1.00 0.00 C ATOM 443 C PHE A 393 -0.556 -2.352 -5.028 1.00 0.00 C ATOM 444 O PHE A 393 -0.654 -1.143 -4.927 1.00 0.00 O ATOM 445 CB PHE A 393 1.641 -3.492 -4.585 1.00 0.00 C ATOM 446 CG PHE A 393 2.609 -3.787 -3.465 1.00 0.00 C ATOM 447 CD1 PHE A 393 2.906 -2.793 -2.495 1.00 0.00 C ATOM 448 CD2 PHE A 393 3.230 -5.062 -3.386 1.00 0.00 C ATOM 449 CE1 PHE A 393 3.824 -3.074 -1.448 1.00 0.00 C ATOM 450 CE2 PHE A 393 4.147 -5.343 -2.340 1.00 0.00 C ATOM 451 CZ PHE A 393 4.444 -4.350 -1.370 1.00 0.00 C ATOM 0 H PHE A 393 0.135 -5.319 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 393 0.338 -2.593 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 393 1.575 -4.349 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 393 2.002 -2.651 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 393 2.434 -1.823 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 393 3.004 -5.819 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 393 4.051 -2.318 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 393 4.619 -6.313 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 393 5.141 -4.564 -0.573 1.00 0.00 H new ATOM 461 N GLN A 394 -1.135 -3.009 -6.013 1.00 0.00 N ATOM 462 CA GLN A 394 -1.938 -2.262 -7.043 1.00 0.00 C ATOM 463 C GLN A 394 -3.325 -1.875 -6.498 1.00 0.00 C ATOM 464 O GLN A 394 -3.910 -0.911 -6.952 1.00 0.00 O ATOM 465 CB GLN A 394 -2.093 -3.204 -8.251 1.00 0.00 C ATOM 466 CG GLN A 394 -0.835 -3.146 -9.120 1.00 0.00 C ATOM 467 CD GLN A 394 0.361 -3.687 -8.329 1.00 0.00 C ATOM 468 OE1 GLN A 394 1.302 -2.966 -8.069 1.00 0.00 O ATOM 469 NE2 GLN A 394 0.368 -4.935 -7.928 1.00 0.00 N ATOM 0 H GLN A 394 -1.087 -4.019 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 394 -1.433 -1.336 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -2.262 -4.225 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -2.965 -2.916 -8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -0.980 -3.733 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -0.643 -2.119 -9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -0.421 -5.545 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 394 1.162 -5.296 -7.400 1.00 0.00 H new ATOM 478 N HIS A 395 -3.867 -2.608 -5.539 1.00 0.00 N ATOM 479 CA HIS A 395 -5.224 -2.243 -4.998 1.00 0.00 C ATOM 480 C HIS A 395 -5.097 -1.208 -3.864 1.00 0.00 C ATOM 481 O HIS A 395 -5.949 -0.353 -3.712 1.00 0.00 O ATOM 482 CB HIS A 395 -5.842 -3.543 -4.462 1.00 0.00 C ATOM 483 CG HIS A 395 -6.108 -4.485 -5.604 1.00 0.00 C ATOM 484 ND1 HIS A 395 -6.984 -5.553 -5.490 1.00 0.00 N ATOM 485 CD2 HIS A 395 -5.620 -4.537 -6.887 1.00 0.00 C ATOM 486 CE1 HIS A 395 -6.996 -6.198 -6.670 1.00 0.00 C ATOM 487 NE2 HIS A 395 -6.183 -5.620 -7.557 1.00 0.00 N ATOM 0 H HIS A 395 -3.435 -3.429 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 395 -5.846 -1.797 -5.774 1.00 0.00 H new ATOM 0 HB2 HIS A 395 -5.168 -4.008 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 395 -6.770 -3.325 -3.934 1.00 0.00 H new ATOM 0 HD2 HIS A 395 -4.909 -3.844 -7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 395 -7.591 -7.076 -6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 395 -6.011 -5.910 -8.520 1.00 0.00 H new ATOM 496 N PHE A 396 -4.052 -1.275 -3.060 1.00 0.00 N ATOM 497 CA PHE A 396 -3.899 -0.289 -1.942 1.00 0.00 C ATOM 498 C PHE A 396 -2.624 0.545 -2.133 1.00 0.00 C ATOM 499 O PHE A 396 -1.635 0.062 -2.652 1.00 0.00 O ATOM 500 CB PHE A 396 -3.784 -1.130 -0.666 1.00 0.00 C ATOM 501 CG PHE A 396 -5.004 -2.007 -0.507 1.00 0.00 C ATOM 502 CD1 PHE A 396 -5.089 -3.239 -1.210 1.00 0.00 C ATOM 503 CD2 PHE A 396 -6.064 -1.605 0.351 1.00 0.00 C ATOM 504 CE1 PHE A 396 -6.232 -4.067 -1.056 1.00 0.00 C ATOM 505 CE2 PHE A 396 -7.208 -2.433 0.504 1.00 0.00 C ATOM 506 CZ PHE A 396 -7.292 -3.666 -0.200 1.00 0.00 C ATOM 0 H PHE A 396 -3.306 -1.967 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 396 -4.739 0.405 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 396 -2.887 -1.747 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 396 -3.681 -0.477 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 396 -4.284 -3.546 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 396 -5.999 -0.669 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 396 -6.296 -5.003 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 396 -8.014 -2.126 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 396 -8.161 -4.297 -0.084 1.00 0.00 H new ATOM 516 N SER A 397 -2.637 1.796 -1.720 1.00 0.00 N ATOM 517 CA SER A 397 -1.423 2.653 -1.886 1.00 0.00 C ATOM 518 C SER A 397 -0.580 2.667 -0.601 1.00 0.00 C ATOM 519 O SER A 397 -1.043 2.290 0.459 1.00 0.00 O ATOM 520 CB SER A 397 -1.935 4.062 -2.212 1.00 0.00 C ATOM 521 OG SER A 397 -1.231 4.567 -3.338 1.00 0.00 O ATOM 0 H SER A 397 -3.434 2.254 -1.278 1.00 0.00 H new ATOM 0 HA SER A 397 -0.779 2.271 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 397 -3.005 4.034 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 397 -1.794 4.720 -1.355 1.00 0.00 H new ATOM 0 HG SER A 397 -1.660 5.392 -3.649 1.00 0.00 H new ATOM 527 N HIS A 398 0.664 3.082 -0.704 1.00 0.00 N ATOM 528 CA HIS A 398 1.549 3.100 0.491 1.00 0.00 C ATOM 529 C HIS A 398 2.330 4.417 0.561 1.00 0.00 C ATOM 530 O HIS A 398 2.525 5.067 -0.448 1.00 0.00 O ATOM 531 CB HIS A 398 2.515 1.925 0.293 1.00 0.00 C ATOM 532 CG HIS A 398 1.773 0.612 0.348 1.00 0.00 C ATOM 533 ND1 HIS A 398 1.428 -0.093 -0.797 1.00 0.00 N ATOM 534 CD2 HIS A 398 1.325 -0.148 1.403 1.00 0.00 C ATOM 535 CE1 HIS A 398 0.803 -1.223 -0.409 1.00 0.00 C ATOM 536 NE2 HIS A 398 0.715 -1.306 0.924 1.00 0.00 N ATOM 0 H HIS A 398 1.097 3.408 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 398 0.981 3.015 1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 398 3.022 2.022 -0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 398 3.285 1.946 1.064 1.00 0.00 H new ATOM 0 HD1 HIS A 398 1.614 0.192 -1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 398 1.430 0.113 2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 398 0.421 -1.969 -1.090 1.00 0.00 H new ATOM 544 N PRO A 399 2.783 4.767 1.749 1.00 0.00 N ATOM 545 CA PRO A 399 3.578 6.011 1.915 1.00 0.00 C ATOM 546 C PRO A 399 4.856 5.864 1.083 1.00 0.00 C ATOM 547 O PRO A 399 5.396 4.778 0.975 1.00 0.00 O ATOM 548 CB PRO A 399 3.854 6.066 3.420 1.00 0.00 C ATOM 549 CG PRO A 399 3.730 4.649 3.865 1.00 0.00 C ATOM 550 CD PRO A 399 2.634 4.056 3.023 1.00 0.00 C ATOM 0 HA PRO A 399 3.089 6.926 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 399 4.847 6.464 3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 399 3.139 6.709 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 399 4.667 4.110 3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 399 3.485 4.591 4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 399 2.754 2.979 2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 399 1.651 4.219 3.465 1.00 0.00 H new ATOM 558 N GLY A 400 5.311 6.912 0.440 1.00 0.00 N ATOM 559 CA GLY A 400 6.507 6.770 -0.434 1.00 0.00 C ATOM 560 C GLY A 400 6.049 6.534 -1.893 1.00 0.00 C ATOM 561 O GLY A 400 6.870 6.468 -2.789 1.00 0.00 O ATOM 0 H GLY A 400 4.908 7.848 0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.123 7.667 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.123 5.937 -0.095 1.00 0.00 H new ATOM 565 N ASP A 401 4.746 6.447 -2.156 1.00 0.00 N ATOM 566 CA ASP A 401 4.279 6.265 -3.553 1.00 0.00 C ATOM 567 C ASP A 401 3.612 7.570 -3.994 1.00 0.00 C ATOM 568 O ASP A 401 2.931 8.209 -3.213 1.00 0.00 O ATOM 569 CB ASP A 401 3.264 5.120 -3.512 1.00 0.00 C ATOM 570 CG ASP A 401 3.379 4.286 -4.791 1.00 0.00 C ATOM 571 OD1 ASP A 401 4.218 3.400 -4.825 1.00 0.00 O ATOM 572 OD2 ASP A 401 2.622 4.543 -5.711 1.00 0.00 O ATOM 0 H ASP A 401 4.007 6.496 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 401 5.084 6.032 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 401 3.444 4.492 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 401 2.254 5.519 -3.415 1.00 0.00 H new ATOM 577 N SER A 402 3.821 7.998 -5.217 1.00 0.00 N ATOM 578 CA SER A 402 3.209 9.300 -5.669 1.00 0.00 C ATOM 579 C SER A 402 1.698 9.385 -5.376 1.00 0.00 C ATOM 580 O SER A 402 1.163 10.477 -5.295 1.00 0.00 O ATOM 581 CB SER A 402 3.442 9.389 -7.182 1.00 0.00 C ATOM 582 OG SER A 402 3.253 10.734 -7.603 1.00 0.00 O ATOM 0 H SER A 402 4.381 7.513 -5.918 1.00 0.00 H new ATOM 0 HA SER A 402 3.672 10.123 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 402 4.451 9.056 -7.427 1.00 0.00 H new ATOM 0 HB3 SER A 402 2.752 8.730 -7.708 1.00 0.00 H new ATOM 0 HG SER A 402 3.402 10.798 -8.569 1.00 0.00 H new ATOM 588 N ASP A 403 0.985 8.279 -5.250 1.00 0.00 N ATOM 589 CA ASP A 403 -0.495 8.390 -5.013 1.00 0.00 C ATOM 590 C ASP A 403 -0.919 8.002 -3.580 1.00 0.00 C ATOM 591 O ASP A 403 -2.091 7.767 -3.351 1.00 0.00 O ATOM 592 CB ASP A 403 -1.141 7.430 -6.024 1.00 0.00 C ATOM 593 CG ASP A 403 -0.688 7.777 -7.447 1.00 0.00 C ATOM 594 OD1 ASP A 403 -1.265 8.680 -8.029 1.00 0.00 O ATOM 595 OD2 ASP A 403 0.231 7.133 -7.929 1.00 0.00 O ATOM 0 H ASP A 403 1.355 7.330 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.811 9.426 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -0.866 6.402 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.227 7.494 -5.954 1.00 0.00 H new ATOM 600 N TYR A 404 -0.013 7.917 -2.611 1.00 0.00 N ATOM 601 CA TYR A 404 -0.440 7.530 -1.200 1.00 0.00 C ATOM 602 C TYR A 404 -1.672 8.341 -0.761 1.00 0.00 C ATOM 603 O TYR A 404 -1.651 9.559 -0.778 1.00 0.00 O ATOM 604 CB TYR A 404 0.749 7.861 -0.276 1.00 0.00 C ATOM 605 CG TYR A 404 0.453 7.417 1.146 1.00 0.00 C ATOM 606 CD1 TYR A 404 -0.061 6.115 1.398 1.00 0.00 C ATOM 607 CD2 TYR A 404 0.700 8.302 2.233 1.00 0.00 C ATOM 608 CE1 TYR A 404 -0.327 5.699 2.733 1.00 0.00 C ATOM 609 CE2 TYR A 404 0.435 7.885 3.567 1.00 0.00 C ATOM 610 CZ TYR A 404 -0.079 6.585 3.818 1.00 0.00 C ATOM 611 OH TYR A 404 -0.337 6.183 5.114 1.00 0.00 O ATOM 0 H TYR A 404 0.984 8.094 -2.729 1.00 0.00 H new ATOM 0 HA TYR A 404 -0.706 6.474 -1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 404 1.649 7.365 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 404 0.946 8.933 -0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 404 -0.250 5.441 0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 404 1.089 9.292 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 404 -0.717 4.710 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 404 0.625 8.558 4.390 1.00 0.00 H new ATOM 0 HH TYR A 404 -1.200 6.546 5.403 1.00 0.00 H new ATOM 621 N GLY A 405 -2.749 7.684 -0.387 1.00 0.00 N ATOM 622 CA GLY A 405 -3.980 8.427 0.026 1.00 0.00 C ATOM 623 C GLY A 405 -3.696 9.297 1.256 1.00 0.00 C ATOM 624 O GLY A 405 -4.202 10.399 1.363 1.00 0.00 O ATOM 0 H GLY A 405 -2.825 6.667 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 405 -4.327 9.052 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -4.780 7.721 0.250 1.00 0.00 H new ATOM 628 N GLY A 406 -2.900 8.821 2.188 1.00 0.00 N ATOM 629 CA GLY A 406 -2.595 9.611 3.387 1.00 0.00 C ATOM 630 C GLY A 406 -2.898 8.740 4.606 1.00 0.00 C ATOM 631 O GLY A 406 -2.465 7.607 4.695 1.00 0.00 O ATOM 0 H GLY A 406 -2.452 7.905 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -1.549 9.918 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -3.195 10.521 3.408 1.00 0.00 H new ATOM 635 N VAL A 407 -3.621 9.268 5.543 1.00 0.00 N ATOM 636 CA VAL A 407 -3.949 8.497 6.775 1.00 0.00 C ATOM 637 C VAL A 407 -5.472 8.398 6.953 1.00 0.00 C ATOM 638 O VAL A 407 -6.090 9.274 7.528 1.00 0.00 O ATOM 639 CB VAL A 407 -3.315 9.300 7.914 1.00 0.00 C ATOM 640 CG1 VAL A 407 -3.600 8.613 9.253 1.00 0.00 C ATOM 641 CG2 VAL A 407 -1.799 9.381 7.702 1.00 0.00 C ATOM 0 H VAL A 407 -4.006 10.212 5.512 1.00 0.00 H new ATOM 0 HA VAL A 407 -3.575 7.474 6.741 1.00 0.00 H new ATOM 0 HB VAL A 407 -3.739 10.304 7.923 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -3.147 9.188 10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -4.677 8.554 9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -3.179 7.608 9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -1.348 9.953 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -1.379 8.375 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -1.590 9.873 6.752 1.00 0.00 H new ATOM 651 N GLN A 408 -6.082 7.335 6.472 1.00 0.00 N ATOM 652 CA GLN A 408 -7.561 7.182 6.627 1.00 0.00 C ATOM 653 C GLN A 408 -7.872 6.005 7.566 1.00 0.00 C ATOM 654 O GLN A 408 -8.019 4.881 7.125 1.00 0.00 O ATOM 655 CB GLN A 408 -8.086 6.897 5.218 1.00 0.00 C ATOM 656 CG GLN A 408 -8.240 8.213 4.439 1.00 0.00 C ATOM 657 CD GLN A 408 -7.538 8.093 3.078 1.00 0.00 C ATOM 658 OE1 GLN A 408 -8.149 8.308 2.051 1.00 0.00 O ATOM 659 NE2 GLN A 408 -6.273 7.752 3.023 1.00 0.00 N ATOM 0 H GLN A 408 -5.617 6.571 5.981 1.00 0.00 H new ATOM 0 HA GLN A 408 -8.025 8.069 7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -7.400 6.232 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -9.046 6.384 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -9.296 8.441 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -7.811 9.037 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -5.756 7.570 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -5.806 7.668 2.120 1.00 0.00 H new ATOM 668 N ILE A 409 -7.974 6.249 8.857 1.00 0.00 N ATOM 669 CA ILE A 409 -8.275 5.129 9.810 1.00 0.00 C ATOM 670 C ILE A 409 -9.721 5.243 10.323 1.00 0.00 C ATOM 671 O ILE A 409 -9.957 5.761 11.398 1.00 0.00 O ATOM 672 CB ILE A 409 -7.276 5.295 10.963 1.00 0.00 C ATOM 673 CG1 ILE A 409 -5.848 5.175 10.421 1.00 0.00 C ATOM 674 CG2 ILE A 409 -7.513 4.209 12.020 1.00 0.00 C ATOM 675 CD1 ILE A 409 -4.925 6.119 11.195 1.00 0.00 C ATOM 0 H ILE A 409 -7.863 7.167 9.287 1.00 0.00 H new ATOM 0 HA ILE A 409 -8.182 4.152 9.336 1.00 0.00 H new ATOM 0 HB ILE A 409 -7.415 6.275 11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -5.497 4.147 10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -5.829 5.421 9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -6.800 4.333 12.835 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -8.528 4.295 12.409 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -7.380 3.226 11.568 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -3.909 6.033 10.809 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -5.272 7.145 11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -4.935 5.852 12.252 1.00 0.00 H new ATOM 687 N VAL A 410 -10.687 4.757 9.571 1.00 0.00 N ATOM 688 CA VAL A 410 -12.105 4.836 10.031 1.00 0.00 C ATOM 689 C VAL A 410 -12.675 3.416 10.181 1.00 0.00 C ATOM 690 O VAL A 410 -13.659 3.069 9.554 1.00 0.00 O ATOM 691 CB VAL A 410 -12.844 5.605 8.932 1.00 0.00 C ATOM 692 CG1 VAL A 410 -14.316 5.763 9.317 1.00 0.00 C ATOM 693 CG2 VAL A 410 -12.215 6.991 8.759 1.00 0.00 C ATOM 0 H VAL A 410 -10.550 4.312 8.663 1.00 0.00 H new ATOM 0 HA VAL A 410 -12.206 5.330 10.997 1.00 0.00 H new ATOM 0 HB VAL A 410 -12.768 5.052 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -14.840 6.311 8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -14.768 4.779 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -14.390 6.313 10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -12.743 7.535 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -12.287 7.543 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -11.167 6.883 8.481 1.00 0.00 H new ATOM 703 N GLY A 411 -12.059 2.587 11.000 1.00 0.00 N ATOM 704 CA GLY A 411 -12.561 1.192 11.174 1.00 0.00 C ATOM 705 C GLY A 411 -11.408 0.215 10.927 1.00 0.00 C ATOM 706 O GLY A 411 -11.209 -0.714 11.683 1.00 0.00 O ATOM 0 H GLY A 411 -11.233 2.822 11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -12.960 1.058 12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -13.377 0.996 10.478 1.00 0.00 H new ATOM 710 N GLN A 412 -10.654 0.421 9.864 1.00 0.00 N ATOM 711 CA GLN A 412 -9.500 -0.468 9.512 1.00 0.00 C ATOM 712 C GLN A 412 -9.978 -1.885 9.155 1.00 0.00 C ATOM 713 O GLN A 412 -9.841 -2.315 8.025 1.00 0.00 O ATOM 714 CB GLN A 412 -8.551 -0.487 10.724 1.00 0.00 C ATOM 715 CG GLN A 412 -8.097 0.937 11.041 1.00 0.00 C ATOM 716 CD GLN A 412 -7.853 1.075 12.548 1.00 0.00 C ATOM 717 OE1 GLN A 412 -6.720 1.110 12.987 1.00 0.00 O ATOM 718 NE2 GLN A 412 -8.871 1.155 13.370 1.00 0.00 N ATOM 0 H GLN A 412 -10.799 1.191 9.211 1.00 0.00 H new ATOM 0 HA GLN A 412 -8.982 -0.088 8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -9.056 -0.919 11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -7.687 -1.117 10.512 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -7.185 1.169 10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -8.854 1.651 10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -9.824 1.126 13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -8.711 1.246 14.373 1.00 0.00 H new ATOM 727 N ASP A 413 -10.529 -2.617 10.096 1.00 0.00 N ATOM 728 CA ASP A 413 -11.004 -4.001 9.790 1.00 0.00 C ATOM 729 C ASP A 413 -12.242 -4.347 10.634 1.00 0.00 C ATOM 730 O ASP A 413 -12.381 -5.462 11.102 1.00 0.00 O ATOM 731 CB ASP A 413 -9.834 -4.912 10.163 1.00 0.00 C ATOM 732 CG ASP A 413 -9.802 -6.116 9.220 1.00 0.00 C ATOM 733 OD1 ASP A 413 -9.370 -5.949 8.091 1.00 0.00 O ATOM 734 OD2 ASP A 413 -10.209 -7.185 9.643 1.00 0.00 O ATOM 0 H ASP A 413 -10.669 -2.314 11.060 1.00 0.00 H new ATOM 0 HA ASP A 413 -11.295 -4.111 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -8.896 -4.361 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -9.936 -5.248 11.195 1.00 0.00 H new ATOM 739 N GLU A 414 -13.144 -3.407 10.834 1.00 0.00 N ATOM 740 CA GLU A 414 -14.363 -3.699 11.646 1.00 0.00 C ATOM 741 C GLU A 414 -15.622 -3.566 10.779 1.00 0.00 C ATOM 742 O GLU A 414 -16.628 -3.043 11.222 1.00 0.00 O ATOM 743 CB GLU A 414 -14.361 -2.649 12.758 1.00 0.00 C ATOM 744 CG GLU A 414 -13.264 -2.980 13.772 1.00 0.00 C ATOM 745 CD GLU A 414 -13.676 -2.472 15.155 1.00 0.00 C ATOM 746 OE1 GLU A 414 -13.886 -1.278 15.286 1.00 0.00 O ATOM 747 OE2 GLU A 414 -13.774 -3.286 16.059 1.00 0.00 O ATOM 0 H GLU A 414 -13.084 -2.456 10.469 1.00 0.00 H new ATOM 0 HA GLU A 414 -14.360 -4.713 12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -14.194 -1.658 12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -15.332 -2.626 13.252 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -13.096 -4.057 13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -12.324 -2.520 13.469 1.00 0.00 H new ATOM 754 N THR A 415 -15.580 -4.034 9.549 1.00 0.00 N ATOM 755 CA THR A 415 -16.779 -3.931 8.668 1.00 0.00 C ATOM 756 C THR A 415 -17.220 -5.331 8.214 1.00 0.00 C ATOM 757 O THR A 415 -17.162 -5.657 7.041 1.00 0.00 O ATOM 758 CB THR A 415 -16.327 -3.088 7.470 1.00 0.00 C ATOM 759 OG1 THR A 415 -14.909 -3.113 7.370 1.00 0.00 O ATOM 760 CG2 THR A 415 -16.804 -1.648 7.653 1.00 0.00 C ATOM 0 H THR A 415 -14.767 -4.480 9.124 1.00 0.00 H new ATOM 0 HA THR A 415 -17.630 -3.480 9.178 1.00 0.00 H new ATOM 0 HB THR A 415 -16.756 -3.500 6.557 1.00 0.00 H new ATOM 0 HG1 THR A 415 -14.626 -2.574 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 415 -16.483 -1.047 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 415 -17.892 -1.631 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 415 -16.378 -1.237 8.568 1.00 0.00 H new ATOM 768 N ASP A 416 -17.661 -6.165 9.132 1.00 0.00 N ATOM 769 CA ASP A 416 -18.103 -7.540 8.747 1.00 0.00 C ATOM 770 C ASP A 416 -19.456 -7.865 9.399 1.00 0.00 C ATOM 771 O ASP A 416 -19.656 -8.956 9.903 1.00 0.00 O ATOM 772 CB ASP A 416 -17.013 -8.469 9.280 1.00 0.00 C ATOM 773 CG ASP A 416 -15.911 -8.620 8.230 1.00 0.00 C ATOM 774 OD1 ASP A 416 -15.427 -7.604 7.759 1.00 0.00 O ATOM 775 OD2 ASP A 416 -15.571 -9.748 7.914 1.00 0.00 O ATOM 0 H ASP A 416 -17.732 -5.950 10.126 1.00 0.00 H new ATOM 0 HA ASP A 416 -18.237 -7.645 7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -16.597 -8.066 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -17.437 -9.444 9.520 1.00 0.00 H new ATOM 780 N ASP A 417 -20.389 -6.934 9.396 1.00 0.00 N ATOM 781 CA ASP A 417 -21.720 -7.205 10.018 1.00 0.00 C ATOM 782 C ASP A 417 -22.834 -6.577 9.177 1.00 0.00 C ATOM 783 O ASP A 417 -23.881 -6.293 9.734 1.00 0.00 O ATOM 784 CB ASP A 417 -21.654 -6.549 11.397 1.00 0.00 C ATOM 785 CG ASP A 417 -22.528 -7.333 12.378 1.00 0.00 C ATOM 786 OD1 ASP A 417 -22.451 -8.551 12.367 1.00 0.00 O ATOM 787 OD2 ASP A 417 -23.260 -6.702 13.123 1.00 0.00 O ATOM 0 H ASP A 417 -20.281 -6.004 8.990 1.00 0.00 H new ATOM 0 HA ASP A 417 -21.935 -8.271 10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 417 -20.623 -6.525 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 417 -21.994 -5.515 11.336 1.00 0.00 H new TER 792 ASP A 417 HETATM 793 ZN ZN A1001 -0.173 -2.813 2.075 1.00 0.00 ZN