USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 400 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 Set 1.1: C 356 CYS SG : rot 179:sc= 1.24! USER MOD Set 1.2: C 358 HIS : no HE2:sc= 0.106 K(o=3.1,f=-14!) USER MOD Set 1.3: C 375 CYS SG : rot -178:sc= 0.382! USER MOD Set 1.4: C 378 CYS SG : rot 135:sc= 1.39 USER MOD Set 2.1: C 341 CYS SG : rot -126:sc= -4.83! USER MOD Set 2.2: C 344 CYS SG : rot -65:sc= -1.79! USER MOD Set 2.3: C 361 HIS : no HE2:sc= -4.49! C(o=-11!,f=-8.9!) USER MOD Set 2.4: C 364 CYS SG : rot -148:sc= 0.438 USER MOD Single : C 330 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : C 337 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.1) USER MOD Single : C 338 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.8!) USER MOD Single : C 347 SER OG : rot 180:sc= -0.403 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.58) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= -1.01 K(o=-1,f=-3.3!) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc=-0.00144 K(o=-0.0014,f=-1.6!) USER MOD Single : C 373 THR OG1 : rot 60:sc= 0.173 USER MOD Single : C 374 SER OG : rot 180:sc= 0 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 14.812 1.261 -16.848 1.00 0.00 N ATOM 2 CA ALA C 327 16.082 0.961 -16.128 1.00 0.00 C ATOM 3 C ALA C 327 16.030 -0.464 -15.592 1.00 0.00 C ATOM 4 O ALA C 327 15.566 -0.701 -14.478 1.00 0.00 O ATOM 5 CB ALA C 327 16.255 1.944 -14.969 1.00 0.00 C ATOM 0 HA ALA C 327 16.925 1.061 -16.811 1.00 0.00 H new ATOM 0 HB1 ALA C 327 17.184 1.725 -14.442 1.00 0.00 H new ATOM 0 HB2 ALA C 327 16.289 2.962 -15.357 1.00 0.00 H new ATOM 0 HB3 ALA C 327 15.415 1.846 -14.281 1.00 0.00 H new ATOM 11 N VAL C 328 16.505 -1.412 -16.396 1.00 0.00 N ATOM 12 CA VAL C 328 16.513 -2.818 -15.998 1.00 0.00 C ATOM 13 C VAL C 328 17.674 -3.551 -16.659 1.00 0.00 C ATOM 14 O VAL C 328 17.958 -3.346 -17.839 1.00 0.00 O ATOM 15 CB VAL C 328 15.197 -3.481 -16.397 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.241 -4.966 -16.027 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.045 -2.802 -15.652 1.00 0.00 C ATOM 0 H VAL C 328 16.888 -1.234 -17.324 1.00 0.00 H new ATOM 0 HA VAL C 328 16.631 -2.870 -14.916 1.00 0.00 H new ATOM 0 HB VAL C 328 15.047 -3.381 -17.472 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.302 -5.440 -16.312 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.065 -5.448 -16.554 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.388 -5.069 -14.952 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.103 -3.272 -15.933 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.195 -2.906 -14.577 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.016 -1.744 -15.914 1.00 0.00 H new ATOM 27 N ALA C 329 18.341 -4.409 -15.894 1.00 0.00 N ATOM 28 CA ALA C 329 19.473 -5.176 -16.412 1.00 0.00 C ATOM 29 C ALA C 329 19.368 -6.627 -15.970 1.00 0.00 C ATOM 30 O ALA C 329 19.938 -7.518 -16.600 1.00 0.00 O ATOM 31 CB ALA C 329 20.786 -4.584 -15.899 1.00 0.00 C ATOM 0 H ALA C 329 18.120 -4.592 -14.915 1.00 0.00 H new ATOM 0 HA ALA C 329 19.456 -5.129 -17.501 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.623 -5.162 -16.290 1.00 0.00 H new ATOM 0 HB2 ALA C 329 20.873 -3.549 -16.231 1.00 0.00 H new ATOM 0 HB3 ALA C 329 20.799 -4.618 -14.810 1.00 0.00 H new ATOM 37 N THR C 330 18.645 -6.863 -14.881 1.00 0.00 N ATOM 38 CA THR C 330 18.490 -8.217 -14.368 1.00 0.00 C ATOM 39 C THR C 330 17.433 -8.979 -15.172 1.00 0.00 C ATOM 40 O THR C 330 16.508 -8.378 -15.718 1.00 0.00 O ATOM 41 CB THR C 330 18.079 -8.171 -12.885 1.00 0.00 C ATOM 42 OG1 THR C 330 17.174 -7.094 -12.679 1.00 0.00 O ATOM 43 CG2 THR C 330 19.317 -7.970 -12.008 1.00 0.00 C ATOM 0 H THR C 330 18.163 -6.143 -14.343 1.00 0.00 H new ATOM 0 HA THR C 330 19.444 -8.735 -14.464 1.00 0.00 H new ATOM 0 HB THR C 330 17.598 -9.112 -12.616 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.910 -7.064 -11.736 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.019 -7.938 -10.960 1.00 0.00 H new ATOM 0 HG22 THR C 330 20.011 -8.796 -12.163 1.00 0.00 H new ATOM 0 HG23 THR C 330 19.804 -7.032 -12.275 1.00 0.00 H new ATOM 51 N PRO C 331 17.545 -10.287 -15.245 1.00 0.00 N ATOM 52 CA PRO C 331 16.566 -11.140 -15.987 1.00 0.00 C ATOM 53 C PRO C 331 15.160 -11.065 -15.384 1.00 0.00 C ATOM 54 O PRO C 331 14.999 -10.831 -14.187 1.00 0.00 O ATOM 55 CB PRO C 331 17.147 -12.560 -15.860 1.00 0.00 C ATOM 56 CG PRO C 331 18.042 -12.514 -14.661 1.00 0.00 C ATOM 57 CD PRO C 331 18.618 -11.103 -14.635 1.00 0.00 C ATOM 0 HA PRO C 331 16.445 -10.818 -17.021 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.356 -13.299 -15.732 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.703 -12.839 -16.755 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.486 -12.728 -13.748 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.834 -13.260 -14.734 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.842 -10.778 -13.619 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.546 -11.037 -15.203 1.00 0.00 H new ATOM 65 N GLU C 332 14.153 -11.276 -16.226 1.00 0.00 N ATOM 66 CA GLU C 332 12.771 -11.244 -15.770 1.00 0.00 C ATOM 67 C GLU C 332 12.527 -12.337 -14.729 1.00 0.00 C ATOM 68 O GLU C 332 11.577 -12.259 -13.948 1.00 0.00 O ATOM 69 CB GLU C 332 11.827 -11.443 -16.959 1.00 0.00 C ATOM 70 CG GLU C 332 12.131 -12.781 -17.636 1.00 0.00 C ATOM 71 CD GLU C 332 11.247 -12.956 -18.865 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.360 -12.140 -19.054 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.472 -13.901 -19.603 1.00 0.00 O ATOM 0 H GLU C 332 14.268 -11.470 -17.221 1.00 0.00 H new ATOM 0 HA GLU C 332 12.577 -10.274 -15.312 1.00 0.00 H new ATOM 0 HB2 GLU C 332 10.791 -11.422 -16.621 1.00 0.00 H new ATOM 0 HB3 GLU C 332 11.947 -10.627 -17.672 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.181 -12.822 -17.925 1.00 0.00 H new ATOM 0 HG3 GLU C 332 11.961 -13.599 -16.936 1.00 0.00 H new ATOM 80 N GLU C 333 13.379 -13.357 -14.724 1.00 0.00 N ATOM 81 CA GLU C 333 13.236 -14.457 -13.780 1.00 0.00 C ATOM 82 C GLU C 333 13.152 -13.917 -12.356 1.00 0.00 C ATOM 83 O GLU C 333 12.337 -14.377 -11.555 1.00 0.00 O ATOM 84 CB GLU C 333 14.441 -15.392 -13.924 1.00 0.00 C ATOM 85 CG GLU C 333 15.697 -14.654 -13.475 1.00 0.00 C ATOM 86 CD GLU C 333 16.942 -15.249 -14.139 1.00 0.00 C ATOM 87 OE1 GLU C 333 16.880 -15.538 -15.323 1.00 0.00 O ATOM 88 OE2 GLU C 333 17.939 -15.404 -13.453 1.00 0.00 O ATOM 0 H GLU C 333 14.172 -13.444 -15.360 1.00 0.00 H new ATOM 0 HA GLU C 333 12.320 -15.008 -13.992 1.00 0.00 H new ATOM 0 HB2 GLU C 333 14.296 -16.289 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU C 333 14.545 -15.716 -14.959 1.00 0.00 H new ATOM 0 HG2 GLU C 333 15.614 -13.597 -13.728 1.00 0.00 H new ATOM 0 HG3 GLU C 333 15.793 -14.715 -12.391 1.00 0.00 H new ATOM 95 N LEU C 334 13.989 -12.935 -12.051 1.00 0.00 N ATOM 96 CA LEU C 334 13.986 -12.341 -10.724 1.00 0.00 C ATOM 97 C LEU C 334 12.660 -11.645 -10.449 1.00 0.00 C ATOM 98 O LEU C 334 12.105 -11.760 -9.356 1.00 0.00 O ATOM 99 CB LEU C 334 15.138 -11.335 -10.590 1.00 0.00 C ATOM 100 CG LEU C 334 15.084 -10.643 -9.215 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.102 -11.695 -8.092 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.295 -9.714 -9.072 1.00 0.00 C ATOM 0 H LEU C 334 14.671 -12.537 -12.697 1.00 0.00 H new ATOM 0 HA LEU C 334 14.120 -13.139 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.093 -11.847 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.074 -10.590 -11.383 1.00 0.00 H new ATOM 0 HG LEU C 334 14.164 -10.064 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.064 -11.195 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU C 334 14.239 -12.352 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.017 -12.284 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.263 -9.221 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.212 -10.297 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.272 -8.962 -9.861 1.00 0.00 H new ATOM 114 N ALA C 335 12.162 -10.915 -11.440 1.00 0.00 N ATOM 115 CA ALA C 335 10.908 -10.196 -11.281 1.00 0.00 C ATOM 116 C ALA C 335 9.792 -11.156 -10.891 1.00 0.00 C ATOM 117 O ALA C 335 9.038 -10.897 -9.952 1.00 0.00 O ATOM 118 CB ALA C 335 10.547 -9.483 -12.585 1.00 0.00 C ATOM 0 H ALA C 335 12.604 -10.807 -12.353 1.00 0.00 H new ATOM 0 HA ALA C 335 11.028 -9.457 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA C 335 9.607 -8.947 -12.458 1.00 0.00 H new ATOM 0 HB2 ALA C 335 11.336 -8.776 -12.844 1.00 0.00 H new ATOM 0 HB3 ALA C 335 10.441 -10.217 -13.384 1.00 0.00 H new ATOM 124 N VAL C 336 9.689 -12.260 -11.619 1.00 0.00 N ATOM 125 CA VAL C 336 8.659 -13.247 -11.340 1.00 0.00 C ATOM 126 C VAL C 336 8.828 -13.797 -9.931 1.00 0.00 C ATOM 127 O VAL C 336 7.855 -13.943 -9.190 1.00 0.00 O ATOM 128 CB VAL C 336 8.746 -14.391 -12.358 1.00 0.00 C ATOM 129 CG1 VAL C 336 7.758 -15.498 -11.977 1.00 0.00 C ATOM 130 CG2 VAL C 336 8.403 -13.860 -13.754 1.00 0.00 C ATOM 0 H VAL C 336 10.302 -12.492 -12.401 1.00 0.00 H new ATOM 0 HA VAL C 336 7.682 -12.770 -11.418 1.00 0.00 H new ATOM 0 HB VAL C 336 9.758 -14.795 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL C 336 7.823 -16.309 -12.702 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.002 -15.878 -10.985 1.00 0.00 H new ATOM 0 HG13 VAL C 336 6.745 -15.096 -11.972 1.00 0.00 H new ATOM 0 HG21 VAL C 336 8.465 -14.673 -14.478 1.00 0.00 H new ATOM 0 HG22 VAL C 336 7.392 -13.453 -13.750 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.108 -13.076 -14.028 1.00 0.00 H new ATOM 140 N ASN C 337 10.068 -14.096 -9.565 1.00 0.00 N ATOM 141 CA ASN C 337 10.350 -14.627 -8.237 1.00 0.00 C ATOM 142 C ASN C 337 10.134 -13.555 -7.172 1.00 0.00 C ATOM 143 O ASN C 337 10.076 -13.856 -5.979 1.00 0.00 O ATOM 144 CB ASN C 337 11.794 -15.130 -8.172 1.00 0.00 C ATOM 145 CG ASN C 337 12.010 -15.923 -6.887 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.222 -15.338 -5.824 1.00 0.00 O ATOM 147 ND2 ASN C 337 11.968 -17.226 -6.920 1.00 0.00 N ATOM 0 H ASN C 337 10.887 -13.982 -10.162 1.00 0.00 H new ATOM 0 HA ASN C 337 9.667 -15.455 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.009 -15.757 -9.037 1.00 0.00 H new ATOM 0 HB3 ASN C 337 12.484 -14.287 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN C 337 12.111 -17.763 -6.064 1.00 0.00 H new ATOM 0 HD22 ASN C 337 11.792 -17.708 -7.801 1.00 0.00 H new ATOM 154 N ASN C 338 10.015 -12.304 -7.612 1.00 0.00 N ATOM 155 CA ASN C 338 9.805 -11.187 -6.692 1.00 0.00 C ATOM 156 C ASN C 338 8.997 -10.083 -7.369 1.00 0.00 C ATOM 157 O ASN C 338 9.447 -8.941 -7.463 1.00 0.00 O ATOM 158 CB ASN C 338 11.155 -10.627 -6.241 1.00 0.00 C ATOM 159 CG ASN C 338 10.960 -9.700 -5.046 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.123 -9.964 -4.183 1.00 0.00 O ATOM 161 ND2 ASN C 338 11.685 -8.620 -4.946 1.00 0.00 N ATOM 0 H ASN C 338 10.060 -12.038 -8.596 1.00 0.00 H new ATOM 0 HA ASN C 338 9.252 -11.550 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN C 338 11.826 -11.443 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN C 338 11.625 -10.084 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN C 338 11.559 -7.993 -4.152 1.00 0.00 H new ATOM 0 HD22 ASN C 338 12.378 -8.403 -5.662 1.00 0.00 H new ATOM 168 N ASP C 339 7.804 -10.432 -7.834 1.00 0.00 N ATOM 169 CA ASP C 339 6.939 -9.464 -8.498 1.00 0.00 C ATOM 170 C ASP C 339 6.331 -8.507 -7.481 1.00 0.00 C ATOM 171 O ASP C 339 5.121 -8.285 -7.471 1.00 0.00 O ATOM 172 CB ASP C 339 5.819 -10.185 -9.249 1.00 0.00 C ATOM 173 CG ASP C 339 4.953 -10.970 -8.267 1.00 0.00 C ATOM 174 OD1 ASP C 339 5.145 -10.804 -7.073 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.103 -11.715 -8.723 1.00 0.00 O ATOM 0 H ASP C 339 7.415 -11.372 -7.765 1.00 0.00 H new ATOM 0 HA ASP C 339 7.542 -8.896 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.207 -9.462 -9.788 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.244 -10.860 -9.992 1.00 0.00 H new ATOM 180 N ASP C 340 7.177 -7.946 -6.625 1.00 0.00 N ATOM 181 CA ASP C 340 6.714 -7.012 -5.604 1.00 0.00 C ATOM 182 C ASP C 340 7.896 -6.455 -4.819 1.00 0.00 C ATOM 183 O ASP C 340 8.717 -7.205 -4.294 1.00 0.00 O ATOM 184 CB ASP C 340 5.745 -7.714 -4.653 1.00 0.00 C ATOM 185 CG ASP C 340 6.343 -9.032 -4.179 1.00 0.00 C ATOM 186 OD1 ASP C 340 7.522 -9.243 -4.414 1.00 0.00 O ATOM 187 OD2 ASP C 340 5.614 -9.812 -3.591 1.00 0.00 O ATOM 0 H ASP C 340 8.182 -8.120 -6.617 1.00 0.00 H new ATOM 0 HA ASP C 340 6.198 -6.187 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP C 340 5.534 -7.073 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP C 340 4.796 -7.896 -5.157 1.00 0.00 H new ATOM 192 N CYS C 341 7.976 -5.128 -4.736 1.00 0.00 N ATOM 193 CA CYS C 341 9.061 -4.473 -4.010 1.00 0.00 C ATOM 194 C CYS C 341 8.552 -3.941 -2.670 1.00 0.00 C ATOM 195 O CYS C 341 7.354 -3.730 -2.495 1.00 0.00 O ATOM 196 CB CYS C 341 9.638 -3.326 -4.839 1.00 0.00 C ATOM 197 SG CYS C 341 8.304 -2.434 -5.662 1.00 0.00 S ATOM 0 H CYS C 341 7.305 -4.488 -5.161 1.00 0.00 H new ATOM 0 HA CYS C 341 9.847 -5.205 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS C 341 10.199 -2.647 -4.196 1.00 0.00 H new ATOM 0 HB3 CYS C 341 10.337 -3.716 -5.579 1.00 0.00 H new ATOM 0 HG CYS C 341 8.543 -2.377 -6.939 1.00 0.00 H new ATOM 202 N ALA C 342 9.465 -3.748 -1.724 1.00 0.00 N ATOM 203 CA ALA C 342 9.100 -3.259 -0.392 1.00 0.00 C ATOM 204 C ALA C 342 8.802 -1.754 -0.418 1.00 0.00 C ATOM 205 O ALA C 342 8.223 -1.214 0.524 1.00 0.00 O ATOM 206 CB ALA C 342 10.250 -3.558 0.590 1.00 0.00 C ATOM 0 H ALA C 342 10.462 -3.921 -1.851 1.00 0.00 H new ATOM 0 HA ALA C 342 8.195 -3.771 -0.065 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.984 -3.196 1.583 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.424 -4.633 0.630 1.00 0.00 H new ATOM 0 HB3 ALA C 342 11.157 -3.056 0.252 1.00 0.00 H new ATOM 212 N ILE C 343 9.220 -1.084 -1.483 1.00 0.00 N ATOM 213 CA ILE C 343 9.009 0.357 -1.591 1.00 0.00 C ATOM 214 C ILE C 343 7.541 0.695 -1.857 1.00 0.00 C ATOM 215 O ILE C 343 6.883 1.334 -1.038 1.00 0.00 O ATOM 216 CB ILE C 343 9.892 0.917 -2.714 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.693 2.432 -2.808 1.00 0.00 C ATOM 218 CG2 ILE C 343 9.532 0.261 -4.058 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.756 3.025 -3.734 1.00 0.00 C ATOM 0 H ILE C 343 9.702 -1.507 -2.277 1.00 0.00 H new ATOM 0 HA ILE C 343 9.283 0.815 -0.641 1.00 0.00 H new ATOM 0 HB ILE C 343 10.935 0.697 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE C 343 8.697 2.657 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE C 343 9.765 2.882 -1.818 1.00 0.00 H new ATOM 0 HG21 ILE C 343 10.167 0.669 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE C 343 9.686 -0.816 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.487 0.464 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE C 343 10.617 4.104 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE C 343 11.747 2.812 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.662 2.583 -4.726 1.00 0.00 H new ATOM 231 N CYS C 344 7.042 0.270 -3.014 1.00 0.00 N ATOM 232 CA CYS C 344 5.662 0.527 -3.401 1.00 0.00 C ATOM 233 C CYS C 344 4.756 -0.611 -2.951 1.00 0.00 C ATOM 234 O CYS C 344 3.553 -0.598 -3.215 1.00 0.00 O ATOM 235 CB CYS C 344 5.579 0.693 -4.921 1.00 0.00 C ATOM 236 SG CYS C 344 5.694 -0.922 -5.722 1.00 0.00 S ATOM 0 H CYS C 344 7.578 -0.257 -3.703 1.00 0.00 H new ATOM 0 HA CYS C 344 5.326 1.444 -2.916 1.00 0.00 H new ATOM 0 HB2 CYS C 344 4.641 1.177 -5.192 1.00 0.00 H new ATOM 0 HB3 CYS C 344 6.384 1.340 -5.270 1.00 0.00 H new ATOM 0 HG CYS C 344 6.870 -1.431 -5.506 1.00 0.00 H new ATOM 241 N TRP C 345 5.336 -1.597 -2.266 1.00 0.00 N ATOM 242 CA TRP C 345 4.564 -2.740 -1.788 1.00 0.00 C ATOM 243 C TRP C 345 3.555 -3.191 -2.841 1.00 0.00 C ATOM 244 O TRP C 345 2.551 -3.827 -2.519 1.00 0.00 O ATOM 245 CB TRP C 345 3.827 -2.362 -0.498 1.00 0.00 C ATOM 246 CG TRP C 345 3.424 -3.605 0.228 1.00 0.00 C ATOM 247 CD1 TRP C 345 2.206 -4.188 0.154 1.00 0.00 C ATOM 248 CD2 TRP C 345 4.218 -4.427 1.129 1.00 0.00 C ATOM 249 NE1 TRP C 345 2.203 -5.317 0.954 1.00 0.00 N ATOM 250 CE2 TRP C 345 3.420 -5.506 1.577 1.00 0.00 C ATOM 251 CE3 TRP C 345 5.543 -4.342 1.598 1.00 0.00 C ATOM 252 CZ2 TRP C 345 3.917 -6.465 2.458 1.00 0.00 C ATOM 253 CZ3 TRP C 345 6.047 -5.308 2.486 1.00 0.00 C ATOM 254 CH2 TRP C 345 5.234 -6.366 2.915 1.00 0.00 C ATOM 0 H TRP C 345 6.328 -1.626 -2.032 1.00 0.00 H new ATOM 0 HA TRP C 345 5.251 -3.563 -1.591 1.00 0.00 H new ATOM 0 HB2 TRP C 345 4.470 -1.751 0.135 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.947 -1.763 -0.732 1.00 0.00 H new ATOM 0 HD1 TRP C 345 1.373 -3.831 -0.433 1.00 0.00 H new ATOM 0 HE1 TRP C 345 1.399 -5.934 1.069 1.00 0.00 H new ATOM 0 HE3 TRP C 345 6.176 -3.529 1.273 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 3.288 -7.280 2.785 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 7.065 -5.235 2.839 1.00 0.00 H new ATOM 0 HH2 TRP C 345 5.625 -7.105 3.599 1.00 0.00 H new ATOM 265 N ASP C 346 3.823 -2.850 -4.102 1.00 0.00 N ATOM 266 CA ASP C 346 2.929 -3.222 -5.201 1.00 0.00 C ATOM 267 C ASP C 346 3.452 -4.466 -5.908 1.00 0.00 C ATOM 268 O ASP C 346 4.197 -5.256 -5.327 1.00 0.00 O ATOM 269 CB ASP C 346 2.818 -2.063 -6.205 1.00 0.00 C ATOM 270 CG ASP C 346 1.501 -2.151 -6.973 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.479 -2.339 -6.335 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.536 -2.032 -8.186 1.00 0.00 O ATOM 0 H ASP C 346 4.646 -2.320 -4.388 1.00 0.00 H new ATOM 0 HA ASP C 346 1.942 -3.436 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP C 346 2.877 -1.110 -5.679 1.00 0.00 H new ATOM 0 HB3 ASP C 346 3.656 -2.095 -6.902 1.00 0.00 H new ATOM 277 N SER C 347 3.053 -4.635 -7.164 1.00 0.00 N ATOM 278 CA SER C 347 3.486 -5.783 -7.951 1.00 0.00 C ATOM 279 C SER C 347 3.431 -5.464 -9.439 1.00 0.00 C ATOM 280 O SER C 347 2.584 -4.691 -9.885 1.00 0.00 O ATOM 281 CB SER C 347 2.595 -6.984 -7.648 1.00 0.00 C ATOM 282 OG SER C 347 2.727 -7.333 -6.276 1.00 0.00 O ATOM 0 H SER C 347 2.432 -3.993 -7.657 1.00 0.00 H new ATOM 0 HA SER C 347 4.516 -6.019 -7.683 1.00 0.00 H new ATOM 0 HB2 SER C 347 1.556 -6.747 -7.876 1.00 0.00 H new ATOM 0 HB3 SER C 347 2.876 -7.828 -8.278 1.00 0.00 H new ATOM 0 HG SER C 347 2.155 -8.103 -6.078 1.00 0.00 H new ATOM 288 N MET C 348 4.332 -6.073 -10.204 1.00 0.00 N ATOM 289 CA MET C 348 4.372 -5.854 -11.644 1.00 0.00 C ATOM 290 C MET C 348 5.382 -6.801 -12.295 1.00 0.00 C ATOM 291 O MET C 348 5.323 -8.014 -12.095 1.00 0.00 O ATOM 292 CB MET C 348 4.743 -4.397 -11.950 1.00 0.00 C ATOM 293 CG MET C 348 4.356 -4.048 -13.390 1.00 0.00 C ATOM 294 SD MET C 348 2.567 -3.796 -13.477 1.00 0.00 S ATOM 295 CE MET C 348 2.579 -2.007 -13.205 1.00 0.00 C ATOM 0 H MET C 348 5.040 -6.718 -9.853 1.00 0.00 H new ATOM 0 HA MET C 348 3.383 -6.058 -12.055 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.232 -3.730 -11.256 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.813 -4.248 -11.806 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.879 -3.147 -13.712 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.656 -4.850 -14.065 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.556 -1.630 -13.219 1.00 0.00 H new ATOM 0 HE2 MET C 348 3.033 -1.789 -12.238 1.00 0.00 H new ATOM 0 HE3 MET C 348 3.155 -1.523 -13.993 1.00 0.00 H new ATOM 305 N GLN C 349 6.304 -6.240 -13.078 1.00 0.00 N ATOM 306 CA GLN C 349 7.323 -7.035 -13.761 1.00 0.00 C ATOM 307 C GLN C 349 8.685 -6.364 -13.648 1.00 0.00 C ATOM 308 O GLN C 349 9.596 -6.905 -13.030 1.00 0.00 O ATOM 309 CB GLN C 349 6.949 -7.189 -15.237 1.00 0.00 C ATOM 310 CG GLN C 349 5.646 -7.983 -15.354 1.00 0.00 C ATOM 311 CD GLN C 349 5.855 -9.407 -14.851 1.00 0.00 C ATOM 312 OE1 GLN C 349 6.791 -10.084 -15.276 1.00 0.00 O ATOM 313 NE2 GLN C 349 5.037 -9.905 -13.965 1.00 0.00 N ATOM 0 H GLN C 349 6.365 -5.237 -13.255 1.00 0.00 H new ATOM 0 HA GLN C 349 7.375 -8.017 -13.291 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.832 -6.208 -15.698 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.748 -7.700 -15.774 1.00 0.00 H new ATOM 0 HG2 GLN C 349 4.861 -7.496 -14.776 1.00 0.00 H new ATOM 0 HG3 GLN C 349 5.313 -8.000 -16.392 1.00 0.00 H new ATOM 0 HE21 GLN C 349 4.262 -9.343 -13.614 1.00 0.00 H new ATOM 0 HE22 GLN C 349 5.173 -10.857 -13.624 1.00 0.00 H new ATOM 322 N ALA C 350 8.816 -5.184 -14.256 1.00 0.00 N ATOM 323 CA ALA C 350 10.080 -4.444 -14.222 1.00 0.00 C ATOM 324 C ALA C 350 10.780 -4.625 -12.873 1.00 0.00 C ATOM 325 O ALA C 350 10.139 -4.583 -11.823 1.00 0.00 O ATOM 326 CB ALA C 350 9.822 -2.955 -14.469 1.00 0.00 C ATOM 0 H ALA C 350 8.069 -4.722 -14.775 1.00 0.00 H new ATOM 0 HA ALA C 350 10.726 -4.837 -15.007 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.767 -2.413 -14.442 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.356 -2.824 -15.446 1.00 0.00 H new ATOM 0 HB3 ALA C 350 9.159 -2.567 -13.696 1.00 0.00 H new ATOM 332 N ALA C 351 12.092 -4.849 -12.909 1.00 0.00 N ATOM 333 CA ALA C 351 12.866 -5.058 -11.686 1.00 0.00 C ATOM 334 C ALA C 351 14.249 -4.435 -11.829 1.00 0.00 C ATOM 335 O ALA C 351 14.874 -4.514 -12.884 1.00 0.00 O ATOM 336 CB ALA C 351 12.994 -6.555 -11.420 1.00 0.00 C ATOM 0 H ALA C 351 12.640 -4.890 -13.768 1.00 0.00 H new ATOM 0 HA ALA C 351 12.354 -4.583 -10.849 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.571 -6.715 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA C 351 12.001 -6.990 -11.302 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.502 -7.031 -12.259 1.00 0.00 H new ATOM 342 N ARG C 352 14.719 -3.819 -10.752 1.00 0.00 N ATOM 343 CA ARG C 352 16.026 -3.189 -10.755 1.00 0.00 C ATOM 344 C ARG C 352 16.643 -3.260 -9.366 1.00 0.00 C ATOM 345 O ARG C 352 15.928 -3.298 -8.364 1.00 0.00 O ATOM 346 CB ARG C 352 15.901 -1.736 -11.207 1.00 0.00 C ATOM 347 CG ARG C 352 17.291 -1.091 -11.239 1.00 0.00 C ATOM 348 CD ARG C 352 17.275 0.137 -12.158 1.00 0.00 C ATOM 349 NE ARG C 352 18.355 1.050 -11.798 1.00 0.00 N ATOM 350 CZ ARG C 352 19.578 0.910 -12.300 1.00 0.00 C ATOM 351 NH1 ARG C 352 19.838 -0.066 -13.127 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.517 1.749 -11.962 1.00 0.00 N ATOM 0 H ARG C 352 14.214 -3.744 -9.869 1.00 0.00 H new ATOM 0 HA ARG C 352 16.676 -3.719 -11.452 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.444 -1.689 -12.195 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.249 -1.187 -10.528 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.589 -0.799 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.028 -1.812 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.384 -0.175 -13.197 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.315 0.648 -12.078 1.00 0.00 H new ATOM 0 HE ARG C 352 18.167 1.812 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG C 352 19.102 -0.722 -13.389 1.00 0.00 H new ATOM 0 HH12 ARG C 352 20.777 -0.172 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.312 2.510 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.456 1.644 -12.345 1.00 0.00 H new ATOM 366 N LYS C 353 17.973 -3.303 -9.308 1.00 0.00 N ATOM 367 CA LYS C 353 18.683 -3.390 -8.032 1.00 0.00 C ATOM 368 C LYS C 353 19.424 -2.098 -7.737 1.00 0.00 C ATOM 369 O LYS C 353 20.113 -1.554 -8.597 1.00 0.00 O ATOM 370 CB LYS C 353 19.682 -4.538 -8.076 1.00 0.00 C ATOM 371 CG LYS C 353 20.332 -4.696 -6.699 1.00 0.00 C ATOM 372 CD LYS C 353 21.267 -5.901 -6.711 1.00 0.00 C ATOM 373 CE LYS C 353 21.905 -6.070 -5.330 1.00 0.00 C ATOM 374 NZ LYS C 353 22.798 -7.262 -5.337 1.00 0.00 N ATOM 0 H LYS C 353 18.580 -3.279 -10.127 1.00 0.00 H new ATOM 0 HA LYS C 353 17.949 -3.564 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.179 -5.462 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.444 -4.343 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.888 -3.794 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.565 -4.826 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.713 -6.801 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.041 -5.766 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.474 -5.178 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.131 -6.187 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.231 -7.377 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.243 -8.110 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.544 -7.132 -6.049 1.00 0.00 H new ATOM 388 N LEU C 354 19.282 -1.615 -6.508 1.00 0.00 N ATOM 389 CA LEU C 354 19.947 -0.382 -6.108 1.00 0.00 C ATOM 390 C LEU C 354 21.406 -0.660 -5.735 1.00 0.00 C ATOM 391 O LEU C 354 21.754 -1.779 -5.352 1.00 0.00 O ATOM 392 CB LEU C 354 19.205 0.236 -4.905 1.00 0.00 C ATOM 393 CG LEU C 354 18.000 1.066 -5.361 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.059 1.264 -4.162 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.431 2.446 -5.884 1.00 0.00 C ATOM 0 H LEU C 354 18.719 -2.053 -5.779 1.00 0.00 H new ATOM 0 HA LEU C 354 19.930 0.318 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU C 354 18.871 -0.556 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.890 0.866 -4.337 1.00 0.00 H new ATOM 0 HG LEU C 354 17.501 0.534 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.196 1.853 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.724 0.293 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.589 1.786 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.551 3.007 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU C 354 18.945 2.991 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.103 2.320 -6.733 1.00 0.00 H new ATOM 407 N PRO C 355 22.257 0.333 -5.835 1.00 0.00 N ATOM 408 CA PRO C 355 23.702 0.195 -5.489 1.00 0.00 C ATOM 409 C PRO C 355 23.905 -0.071 -3.995 1.00 0.00 C ATOM 410 O PRO C 355 25.004 -0.409 -3.559 1.00 0.00 O ATOM 411 CB PRO C 355 24.314 1.547 -5.921 1.00 0.00 C ATOM 412 CG PRO C 355 23.171 2.512 -5.910 1.00 0.00 C ATOM 413 CD PRO C 355 21.938 1.701 -6.294 1.00 0.00 C ATOM 0 HA PRO C 355 24.172 -0.654 -5.986 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.101 1.860 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.763 1.478 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.051 2.964 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.339 3.325 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.040 2.086 -5.811 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.759 1.730 -7.369 1.00 0.00 H new ATOM 421 N CYS C 356 22.830 0.084 -3.220 1.00 0.00 N ATOM 422 CA CYS C 356 22.893 -0.141 -1.774 1.00 0.00 C ATOM 423 C CYS C 356 22.626 -1.608 -1.441 1.00 0.00 C ATOM 424 O CYS C 356 23.314 -2.202 -0.610 1.00 0.00 O ATOM 425 CB CYS C 356 21.886 0.778 -1.054 1.00 0.00 C ATOM 426 SG CYS C 356 20.264 -0.021 -0.920 1.00 0.00 S ATOM 0 H CYS C 356 21.912 0.362 -3.566 1.00 0.00 H new ATOM 0 HA CYS C 356 23.897 0.102 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.258 1.024 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS C 356 21.790 1.717 -1.599 1.00 0.00 H new ATOM 0 HG CYS C 356 19.445 0.763 -0.284 1.00 0.00 H new ATOM 431 N GLY C 357 21.613 -2.182 -2.090 1.00 0.00 N ATOM 432 CA GLY C 357 21.243 -3.582 -1.859 1.00 0.00 C ATOM 433 C GLY C 357 19.728 -3.728 -1.724 1.00 0.00 C ATOM 434 O GLY C 357 19.239 -4.355 -0.783 1.00 0.00 O ATOM 0 H GLY C 357 21.034 -1.702 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.600 -4.198 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.730 -3.947 -0.955 1.00 0.00 H new ATOM 438 N HIS C 358 18.988 -3.162 -2.679 1.00 0.00 N ATOM 439 CA HIS C 358 17.525 -3.241 -2.663 1.00 0.00 C ATOM 440 C HIS C 358 16.998 -3.481 -4.076 1.00 0.00 C ATOM 441 O HIS C 358 17.556 -2.973 -5.044 1.00 0.00 O ATOM 442 CB HIS C 358 16.936 -1.934 -2.102 1.00 0.00 C ATOM 443 CG HIS C 358 16.970 -1.968 -0.600 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.006 -1.408 0.136 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.103 -2.506 0.315 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.734 -1.627 1.435 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.587 -2.291 1.599 1.00 0.00 N ATOM 0 H HIS C 358 19.374 -2.646 -3.470 1.00 0.00 H new ATOM 0 HA HIS C 358 17.223 -4.072 -2.026 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.505 -1.080 -2.469 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.911 -1.807 -2.450 1.00 0.00 H new ATOM 0 HD1 HIS C 358 18.821 -0.922 -0.238 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.184 -3.019 0.074 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.367 -1.304 2.248 1.00 0.00 H new ATOM 455 N LEU C 359 15.921 -4.266 -4.184 1.00 0.00 N ATOM 456 CA LEU C 359 15.326 -4.581 -5.488 1.00 0.00 C ATOM 457 C LEU C 359 14.058 -3.770 -5.721 1.00 0.00 C ATOM 458 O LEU C 359 13.050 -3.993 -5.052 1.00 0.00 O ATOM 459 CB LEU C 359 14.960 -6.059 -5.523 1.00 0.00 C ATOM 460 CG LEU C 359 16.225 -6.912 -5.385 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.826 -8.366 -5.119 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.062 -6.839 -6.673 1.00 0.00 C ATOM 0 H LEU C 359 15.445 -4.693 -3.389 1.00 0.00 H new ATOM 0 HA LEU C 359 16.052 -4.338 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.265 -6.290 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.452 -6.295 -6.458 1.00 0.00 H new ATOM 0 HG LEU C 359 16.821 -6.532 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.723 -8.977 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.246 -8.421 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.225 -8.736 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU C 359 17.958 -7.450 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.473 -7.210 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.350 -5.805 -6.862 1.00 0.00 H new ATOM 474 N PHE C 360 14.132 -2.834 -6.674 1.00 0.00 N ATOM 475 CA PHE C 360 13.009 -1.945 -7.014 1.00 0.00 C ATOM 476 C PHE C 360 12.702 -2.013 -8.502 1.00 0.00 C ATOM 477 O PHE C 360 13.570 -2.294 -9.330 1.00 0.00 O ATOM 478 CB PHE C 360 13.394 -0.507 -6.608 1.00 0.00 C ATOM 479 CG PHE C 360 13.352 -0.297 -5.089 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.777 -1.229 -4.196 1.00 0.00 C ATOM 481 CD2 PHE C 360 13.993 0.822 -4.563 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.844 -1.017 -2.807 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.051 1.031 -3.182 1.00 0.00 C ATOM 484 CZ PHE C 360 13.480 0.114 -2.304 1.00 0.00 C ATOM 0 H PHE C 360 14.970 -2.669 -7.232 1.00 0.00 H new ATOM 0 HA PHE C 360 12.113 -2.258 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.396 -0.285 -6.975 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.715 0.197 -7.088 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.283 -2.109 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.451 1.537 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.401 -1.733 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.543 1.911 -2.793 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.530 0.279 -1.238 1.00 0.00 H new ATOM 494 N HIS C 361 11.445 -1.766 -8.810 1.00 0.00 N ATOM 495 CA HIS C 361 10.979 -1.812 -10.177 1.00 0.00 C ATOM 496 C HIS C 361 11.444 -0.581 -10.927 1.00 0.00 C ATOM 497 O HIS C 361 11.846 0.411 -10.323 1.00 0.00 O ATOM 498 CB HIS C 361 9.451 -1.897 -10.204 1.00 0.00 C ATOM 499 CG HIS C 361 8.989 -3.037 -9.337 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.820 -2.971 -8.591 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.520 -4.281 -9.085 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.691 -4.137 -7.938 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.696 -4.972 -8.203 1.00 0.00 N ATOM 0 H HIS C 361 10.726 -1.530 -8.126 1.00 0.00 H new ATOM 0 HA HIS C 361 11.392 -2.696 -10.662 1.00 0.00 H new ATOM 0 HB2 HIS C 361 9.019 -0.961 -9.850 1.00 0.00 H new ATOM 0 HB3 HIS C 361 9.104 -2.042 -11.227 1.00 0.00 H new ATOM 0 HD1 HIS C 361 7.177 -2.181 -8.547 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.437 -4.663 -9.508 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.870 -4.371 -7.276 1.00 0.00 H new ATOM 511 N ASN C 362 11.400 -0.650 -12.243 1.00 0.00 N ATOM 512 CA ASN C 362 11.836 0.470 -13.058 1.00 0.00 C ATOM 513 C ASN C 362 11.014 1.712 -12.733 1.00 0.00 C ATOM 514 O ASN C 362 11.565 2.794 -12.535 1.00 0.00 O ATOM 515 CB ASN C 362 11.672 0.123 -14.536 1.00 0.00 C ATOM 516 CG ASN C 362 12.093 1.300 -15.406 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.001 2.048 -15.044 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.485 1.509 -16.542 1.00 0.00 N ATOM 0 H ASN C 362 11.071 -1.460 -12.768 1.00 0.00 H new ATOM 0 HA ASN C 362 12.885 0.674 -12.844 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.275 -0.752 -14.780 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.634 -0.137 -14.742 1.00 0.00 H new ATOM 0 HD21 ASN C 362 11.762 2.294 -17.132 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.733 0.888 -16.840 1.00 0.00 H new ATOM 525 N SER C 363 9.698 1.551 -12.663 1.00 0.00 N ATOM 526 CA SER C 363 8.822 2.670 -12.347 1.00 0.00 C ATOM 527 C SER C 363 8.997 3.101 -10.895 1.00 0.00 C ATOM 528 O SER C 363 9.011 4.291 -10.587 1.00 0.00 O ATOM 529 CB SER C 363 7.368 2.277 -12.595 1.00 0.00 C ATOM 530 OG SER C 363 7.130 2.209 -13.996 1.00 0.00 O ATOM 0 H SER C 363 9.218 0.665 -12.819 1.00 0.00 H new ATOM 0 HA SER C 363 9.088 3.507 -12.992 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.156 1.313 -12.132 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.699 3.005 -12.136 1.00 0.00 H new ATOM 0 HG SER C 363 6.197 1.955 -14.157 1.00 0.00 H new ATOM 536 N CYS C 364 9.126 2.124 -10.007 1.00 0.00 N ATOM 537 CA CYS C 364 9.293 2.418 -8.591 1.00 0.00 C ATOM 538 C CYS C 364 10.636 3.085 -8.325 1.00 0.00 C ATOM 539 O CYS C 364 10.706 4.123 -7.667 1.00 0.00 O ATOM 540 CB CYS C 364 9.203 1.128 -7.775 1.00 0.00 C ATOM 541 SG CYS C 364 7.541 0.432 -7.929 1.00 0.00 S ATOM 0 H CYS C 364 9.118 1.131 -10.239 1.00 0.00 H new ATOM 0 HA CYS C 364 8.497 3.101 -8.294 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.944 0.410 -8.127 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.428 1.331 -6.728 1.00 0.00 H new ATOM 0 HG CYS C 364 7.228 -0.190 -6.831 1.00 0.00 H new ATOM 546 N LEU C 365 11.698 2.476 -8.829 1.00 0.00 N ATOM 547 CA LEU C 365 13.032 3.017 -8.623 1.00 0.00 C ATOM 548 C LEU C 365 13.186 4.355 -9.348 1.00 0.00 C ATOM 549 O LEU C 365 13.611 5.344 -8.758 1.00 0.00 O ATOM 550 CB LEU C 365 14.085 2.010 -9.131 1.00 0.00 C ATOM 551 CG LEU C 365 15.400 2.166 -8.349 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.442 1.189 -8.887 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.918 3.600 -8.466 1.00 0.00 C ATOM 0 H LEU C 365 11.664 1.617 -9.377 1.00 0.00 H new ATOM 0 HA LEU C 365 13.183 3.186 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.708 0.993 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.266 2.169 -10.194 1.00 0.00 H new ATOM 0 HG LEU C 365 15.213 1.946 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.371 1.304 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU C 365 16.076 0.168 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.624 1.396 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.849 3.697 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.097 3.838 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.178 4.289 -8.059 1.00 0.00 H new ATOM 565 N ARG C 366 12.838 4.372 -10.627 1.00 0.00 N ATOM 566 CA ARG C 366 12.965 5.586 -11.422 1.00 0.00 C ATOM 567 C ARG C 366 12.154 6.712 -10.797 1.00 0.00 C ATOM 568 O ARG C 366 12.637 7.835 -10.657 1.00 0.00 O ATOM 569 CB ARG C 366 12.488 5.326 -12.850 1.00 0.00 C ATOM 570 CG ARG C 366 12.756 6.557 -13.710 1.00 0.00 C ATOM 571 CD ARG C 366 12.381 6.253 -15.164 1.00 0.00 C ATOM 572 NE ARG C 366 10.937 6.082 -15.291 1.00 0.00 N ATOM 573 CZ ARG C 366 10.384 5.723 -16.448 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.138 5.506 -17.490 1.00 0.00 N ATOM 575 NH2 ARG C 366 9.088 5.588 -16.538 1.00 0.00 N ATOM 0 H ARG C 366 12.469 3.567 -11.133 1.00 0.00 H new ATOM 0 HA ARG C 366 14.014 5.883 -11.446 1.00 0.00 H new ATOM 0 HB2 ARG C 366 13.004 4.460 -13.265 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.423 5.093 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.176 7.404 -13.343 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.807 6.838 -13.645 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.716 7.065 -15.810 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.891 5.349 -15.497 1.00 0.00 H new ATOM 0 HE ARG C 366 10.341 6.240 -14.479 1.00 0.00 H new ATOM 0 HH11 ARG C 366 12.150 5.611 -17.418 1.00 0.00 H new ATOM 0 HH12 ARG C 366 10.716 5.231 -18.377 1.00 0.00 H new ATOM 0 HH21 ARG C 366 8.500 5.758 -15.722 1.00 0.00 H new ATOM 0 HH22 ARG C 366 8.664 5.313 -17.424 1.00 0.00 H new ATOM 589 N SER C 367 10.923 6.402 -10.427 1.00 0.00 N ATOM 590 CA SER C 367 10.055 7.398 -9.818 1.00 0.00 C ATOM 591 C SER C 367 10.712 7.966 -8.568 1.00 0.00 C ATOM 592 O SER C 367 10.661 9.172 -8.320 1.00 0.00 O ATOM 593 CB SER C 367 8.707 6.774 -9.454 1.00 0.00 C ATOM 594 OG SER C 367 7.911 7.738 -8.778 1.00 0.00 O ATOM 0 H SER C 367 10.504 5.478 -10.536 1.00 0.00 H new ATOM 0 HA SER C 367 9.891 8.203 -10.535 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.197 6.431 -10.354 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.857 5.900 -8.820 1.00 0.00 H new ATOM 0 HG SER C 367 7.046 7.342 -8.545 1.00 0.00 H new ATOM 600 N TRP C 368 11.328 7.091 -7.785 1.00 0.00 N ATOM 601 CA TRP C 368 11.989 7.521 -6.565 1.00 0.00 C ATOM 602 C TRP C 368 13.126 8.486 -6.896 1.00 0.00 C ATOM 603 O TRP C 368 13.301 9.505 -6.231 1.00 0.00 O ATOM 604 CB TRP C 368 12.544 6.306 -5.814 1.00 0.00 C ATOM 605 CG TRP C 368 12.857 6.686 -4.400 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.096 6.888 -3.895 1.00 0.00 C ATOM 607 CD2 TRP C 368 11.927 6.915 -3.302 1.00 0.00 C ATOM 608 NE1 TRP C 368 13.984 7.226 -2.559 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.669 7.256 -2.148 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.526 6.859 -3.199 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.043 7.531 -0.932 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.892 7.135 -1.978 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.649 7.471 -0.845 1.00 0.00 C ATOM 0 H TRP C 368 11.383 6.090 -7.972 1.00 0.00 H new ATOM 0 HA TRP C 368 11.262 8.031 -5.933 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.817 5.494 -5.830 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.443 5.940 -6.310 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.021 6.800 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.778 7.428 -1.952 1.00 0.00 H new ATOM 0 HE3 TRP C 368 9.934 6.602 -4.065 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.631 7.789 -0.064 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.815 7.089 -1.910 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.156 7.683 0.092 1.00 0.00 H new ATOM 624 N LEU C 369 13.898 8.148 -7.923 1.00 0.00 N ATOM 625 CA LEU C 369 15.025 8.988 -8.327 1.00 0.00 C ATOM 626 C LEU C 369 14.533 10.359 -8.774 1.00 0.00 C ATOM 627 O LEU C 369 15.213 11.367 -8.584 1.00 0.00 O ATOM 628 CB LEU C 369 15.805 8.320 -9.465 1.00 0.00 C ATOM 629 CG LEU C 369 16.404 6.988 -8.990 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.003 6.246 -10.192 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.495 7.216 -7.928 1.00 0.00 C ATOM 0 H LEU C 369 13.768 7.308 -8.487 1.00 0.00 H new ATOM 0 HA LEU C 369 15.686 9.113 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.145 8.147 -10.315 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.600 8.982 -9.808 1.00 0.00 H new ATOM 0 HG LEU C 369 15.610 6.393 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.430 5.300 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.222 6.054 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.784 6.857 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.900 6.255 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.294 7.825 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.064 7.730 -7.068 1.00 0.00 H new ATOM 643 N GLU C 370 13.347 10.389 -9.357 1.00 0.00 N ATOM 644 CA GLU C 370 12.768 11.640 -9.811 1.00 0.00 C ATOM 645 C GLU C 370 12.358 12.502 -8.620 1.00 0.00 C ATOM 646 O GLU C 370 12.506 13.723 -8.645 1.00 0.00 O ATOM 647 CB GLU C 370 11.554 11.357 -10.690 1.00 0.00 C ATOM 648 CG GLU C 370 11.097 12.647 -11.364 1.00 0.00 C ATOM 649 CD GLU C 370 12.113 13.070 -12.422 1.00 0.00 C ATOM 650 OE1 GLU C 370 13.021 12.300 -12.683 1.00 0.00 O ATOM 651 OE2 GLU C 370 11.965 14.157 -12.958 1.00 0.00 O ATOM 0 H GLU C 370 12.769 9.566 -9.526 1.00 0.00 H new ATOM 0 HA GLU C 370 13.515 12.182 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.804 10.610 -11.444 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.745 10.943 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.120 12.500 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU C 370 10.984 13.436 -10.620 1.00 0.00 H new ATOM 658 N GLN C 371 11.830 11.859 -7.578 1.00 0.00 N ATOM 659 CA GLN C 371 11.394 12.584 -6.386 1.00 0.00 C ATOM 660 C GLN C 371 12.572 12.863 -5.459 1.00 0.00 C ATOM 661 O GLN C 371 12.834 14.012 -5.099 1.00 0.00 O ATOM 662 CB GLN C 371 10.338 11.766 -5.637 1.00 0.00 C ATOM 663 CG GLN C 371 9.814 12.576 -4.447 1.00 0.00 C ATOM 664 CD GLN C 371 8.681 11.819 -3.762 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.117 10.889 -4.337 1.00 0.00 O ATOM 666 NE2 GLN C 371 8.311 12.169 -2.560 1.00 0.00 N ATOM 0 H GLN C 371 11.695 10.849 -7.535 1.00 0.00 H new ATOM 0 HA GLN C 371 10.966 13.535 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.517 11.512 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.769 10.827 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.621 12.760 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.460 13.549 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN C 371 8.781 12.940 -2.086 1.00 0.00 H new ATOM 0 HE22 GLN C 371 7.552 11.671 -2.095 1.00 0.00 H new ATOM 675 N ASP C 372 13.278 11.802 -5.072 1.00 0.00 N ATOM 676 CA ASP C 372 14.429 11.930 -4.182 1.00 0.00 C ATOM 677 C ASP C 372 15.467 10.854 -4.482 1.00 0.00 C ATOM 678 O ASP C 372 15.126 9.701 -4.751 1.00 0.00 O ATOM 679 CB ASP C 372 13.979 11.799 -2.728 1.00 0.00 C ATOM 680 CG ASP C 372 15.097 12.246 -1.793 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.048 12.840 -2.278 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.985 11.993 -0.606 1.00 0.00 O ATOM 0 H ASP C 372 13.073 10.845 -5.361 1.00 0.00 H new ATOM 0 HA ASP C 372 14.877 12.910 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.088 12.404 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.707 10.765 -2.515 1.00 0.00 H new ATOM 687 N THR C 373 16.741 11.237 -4.426 1.00 0.00 N ATOM 688 CA THR C 373 17.837 10.305 -4.685 1.00 0.00 C ATOM 689 C THR C 373 18.428 9.819 -3.374 1.00 0.00 C ATOM 690 O THR C 373 19.528 10.214 -2.988 1.00 0.00 O ATOM 691 CB THR C 373 18.925 10.997 -5.509 1.00 0.00 C ATOM 692 OG1 THR C 373 19.227 12.257 -4.928 1.00 0.00 O ATOM 693 CG2 THR C 373 18.433 11.192 -6.943 1.00 0.00 C ATOM 0 H THR C 373 17.040 12.186 -4.204 1.00 0.00 H new ATOM 0 HA THR C 373 17.449 9.452 -5.242 1.00 0.00 H new ATOM 0 HB THR C 373 19.824 10.380 -5.519 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.546 12.126 -4.011 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.208 11.685 -7.530 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.205 10.222 -7.385 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.534 11.808 -6.939 1.00 0.00 H new ATOM 701 N SER C 374 17.697 8.939 -2.699 1.00 0.00 N ATOM 702 CA SER C 374 18.167 8.381 -1.434 1.00 0.00 C ATOM 703 C SER C 374 17.574 7.003 -1.201 1.00 0.00 C ATOM 704 O SER C 374 16.545 6.658 -1.776 1.00 0.00 O ATOM 705 CB SER C 374 17.794 9.303 -0.277 1.00 0.00 C ATOM 706 OG SER C 374 16.459 9.030 0.131 1.00 0.00 O ATOM 0 H SER C 374 16.785 8.598 -3.002 1.00 0.00 H new ATOM 0 HA SER C 374 19.252 8.292 -1.486 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.479 9.153 0.557 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.887 10.345 -0.583 1.00 0.00 H new ATOM 0 HG SER C 374 16.217 9.620 0.875 1.00 0.00 H new ATOM 712 N CYS C 375 18.233 6.216 -0.358 1.00 0.00 N ATOM 713 CA CYS C 375 17.762 4.869 -0.070 1.00 0.00 C ATOM 714 C CYS C 375 16.572 4.894 0.908 1.00 0.00 C ATOM 715 O CYS C 375 16.737 5.286 2.058 1.00 0.00 O ATOM 716 CB CYS C 375 18.886 4.037 0.536 1.00 0.00 C ATOM 717 SG CYS C 375 18.257 2.372 0.855 1.00 0.00 S ATOM 0 H CYS C 375 19.086 6.485 0.133 1.00 0.00 H new ATOM 0 HA CYS C 375 17.437 4.423 -1.010 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.737 3.997 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.239 4.493 1.461 1.00 0.00 H new ATOM 0 HG CYS C 375 19.187 1.656 1.414 1.00 0.00 H new ATOM 722 N PRO C 376 15.390 4.478 0.504 1.00 0.00 N ATOM 723 CA PRO C 376 14.195 4.466 1.409 1.00 0.00 C ATOM 724 C PRO C 376 14.449 3.722 2.723 1.00 0.00 C ATOM 725 O PRO C 376 13.765 3.950 3.720 1.00 0.00 O ATOM 726 CB PRO C 376 13.115 3.744 0.583 1.00 0.00 C ATOM 727 CG PRO C 376 13.521 3.923 -0.839 1.00 0.00 C ATOM 728 CD PRO C 376 15.050 3.973 -0.840 1.00 0.00 C ATOM 0 HA PRO C 376 13.916 5.476 1.710 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.060 2.688 0.846 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.129 4.170 0.767 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.157 3.100 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.101 4.840 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.482 2.988 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.428 4.632 -1.622 1.00 0.00 H new ATOM 736 N THR C 377 15.433 2.825 2.711 1.00 0.00 N ATOM 737 CA THR C 377 15.771 2.038 3.902 1.00 0.00 C ATOM 738 C THR C 377 17.106 2.476 4.488 1.00 0.00 C ATOM 739 O THR C 377 17.164 3.014 5.593 1.00 0.00 O ATOM 740 CB THR C 377 15.830 0.552 3.530 1.00 0.00 C ATOM 741 OG1 THR C 377 14.534 0.111 3.155 1.00 0.00 O ATOM 742 CG2 THR C 377 16.320 -0.260 4.732 1.00 0.00 C ATOM 0 H THR C 377 16.010 2.623 1.895 1.00 0.00 H new ATOM 0 HA THR C 377 15.000 2.201 4.655 1.00 0.00 H new ATOM 0 HB THR C 377 16.519 0.412 2.697 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.568 -0.838 2.915 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.361 -1.316 4.465 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.315 0.081 5.020 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.634 -0.123 5.568 1.00 0.00 H new ATOM 750 N CYS C 378 18.176 2.227 3.749 1.00 0.00 N ATOM 751 CA CYS C 378 19.505 2.587 4.220 1.00 0.00 C ATOM 752 C CYS C 378 19.598 4.091 4.469 1.00 0.00 C ATOM 753 O CYS C 378 20.490 4.557 5.176 1.00 0.00 O ATOM 754 CB CYS C 378 20.568 2.166 3.197 1.00 0.00 C ATOM 755 SG CYS C 378 20.343 0.422 2.769 1.00 0.00 S ATOM 0 H CYS C 378 18.152 1.782 2.831 1.00 0.00 H new ATOM 0 HA CYS C 378 19.686 2.062 5.158 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.490 2.783 2.302 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.565 2.324 3.608 1.00 0.00 H new ATOM 0 HG CYS C 378 20.422 0.278 1.479 1.00 0.00 H new ATOM 760 N ARG C 379 18.667 4.844 3.888 1.00 0.00 N ATOM 761 CA ARG C 379 18.650 6.294 4.057 1.00 0.00 C ATOM 762 C ARG C 379 19.959 6.899 3.559 1.00 0.00 C ATOM 763 O ARG C 379 20.290 8.042 3.868 1.00 0.00 O ATOM 764 CB ARG C 379 18.443 6.643 5.539 1.00 0.00 C ATOM 765 CG ARG C 379 17.880 8.064 5.664 1.00 0.00 C ATOM 766 CD ARG C 379 17.654 8.398 7.137 1.00 0.00 C ATOM 767 NE ARG C 379 16.980 9.688 7.251 1.00 0.00 N ATOM 768 CZ ARG C 379 17.668 10.828 7.256 1.00 0.00 C ATOM 769 NH1 ARG C 379 18.969 10.806 7.153 1.00 0.00 N ATOM 770 NH2 ARG C 379 17.039 11.967 7.359 1.00 0.00 N ATOM 0 H ARG C 379 17.919 4.477 3.300 1.00 0.00 H new ATOM 0 HA ARG C 379 17.828 6.707 3.473 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.759 5.929 5.998 1.00 0.00 H new ATOM 0 HB3 ARG C 379 19.389 6.568 6.075 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.571 8.780 5.220 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.942 8.144 5.115 1.00 0.00 H new ATOM 0 HD2 ARG C 379 17.053 7.620 7.608 1.00 0.00 H new ATOM 0 HD3 ARG C 379 18.608 8.427 7.664 1.00 0.00 H new ATOM 0 HE ARG C 379 15.963 9.717 7.328 1.00 0.00 H new ATOM 0 HH11 ARG C 379 19.459 9.915 7.069 1.00 0.00 H new ATOM 0 HH12 ARG C 379 19.496 11.679 7.157 1.00 0.00 H new ATOM 0 HH21 ARG C 379 16.022 11.983 7.436 1.00 0.00 H new ATOM 0 HH22 ARG C 379 17.564 12.841 7.363 1.00 0.00 H new ATOM 784 N MET C 380 20.711 6.118 2.784 1.00 0.00 N ATOM 785 CA MET C 380 21.989 6.585 2.246 1.00 0.00 C ATOM 786 C MET C 380 21.869 6.891 0.759 1.00 0.00 C ATOM 787 O MET C 380 21.196 6.171 0.020 1.00 0.00 O ATOM 788 CB MET C 380 23.065 5.523 2.468 1.00 0.00 C ATOM 789 CG MET C 380 24.419 6.067 2.003 1.00 0.00 C ATOM 790 SD MET C 380 25.714 4.853 2.356 1.00 0.00 S ATOM 791 CE MET C 380 25.573 3.915 0.815 1.00 0.00 C ATOM 0 H MET C 380 20.460 5.166 2.516 1.00 0.00 H new ATOM 0 HA MET C 380 22.268 7.500 2.768 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.112 5.252 3.523 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.816 4.616 1.917 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.389 6.281 0.935 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.639 7.006 2.511 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.296 3.099 0.818 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.566 3.507 0.728 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.772 4.573 -0.031 1.00 0.00 H new ATOM 801 N SER C 381 22.536 7.955 0.325 1.00 0.00 N ATOM 802 CA SER C 381 22.511 8.340 -1.075 1.00 0.00 C ATOM 803 C SER C 381 23.212 7.285 -1.923 1.00 0.00 C ATOM 804 O SER C 381 24.075 6.554 -1.435 1.00 0.00 O ATOM 805 CB SER C 381 23.200 9.690 -1.264 1.00 0.00 C ATOM 806 OG SER C 381 24.601 9.532 -1.081 1.00 0.00 O ATOM 0 H SER C 381 23.097 8.562 0.922 1.00 0.00 H new ATOM 0 HA SER C 381 21.472 8.422 -1.393 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.994 10.080 -2.261 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.808 10.415 -0.550 1.00 0.00 H new ATOM 0 HG SER C 381 25.046 10.396 -1.203 1.00 0.00 H new ATOM 812 N LEU C 382 22.826 7.213 -3.192 1.00 0.00 N ATOM 813 CA LEU C 382 23.408 6.242 -4.120 1.00 0.00 C ATOM 814 C LEU C 382 24.653 6.830 -4.778 1.00 0.00 C ATOM 815 O LEU C 382 24.839 8.046 -4.804 1.00 0.00 O ATOM 816 CB LEU C 382 22.374 5.857 -5.211 1.00 0.00 C ATOM 817 CG LEU C 382 21.347 6.997 -5.395 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.783 6.979 -6.822 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.188 6.824 -4.398 1.00 0.00 C ATOM 0 H LEU C 382 22.113 7.814 -3.605 1.00 0.00 H new ATOM 0 HA LEU C 382 23.685 5.348 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.884 5.661 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.861 4.937 -4.929 1.00 0.00 H new ATOM 0 HG LEU C 382 21.850 7.947 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.061 7.787 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.596 7.113 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.291 6.024 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.468 7.631 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.697 5.867 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.577 6.852 -3.380 1.00 0.00 H new