USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 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: C 361 HIS HD1 : C 361 HIS ND1 : C 900 ZNZN :(H bumps) USER MOD Set 1.1: C 380 MET CE :methyl 180:sc= -0.0501 (180deg=-0.0501) USER MOD Set 1.2: C 381 SER OG : rot 36:sc= 1.1 USER MOD Set 2.1: C 358 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-10!) USER MOD Set 2.2: C 377 THR OG1 : rot 166:sc= 0.021 USER MOD Single : C 330 THR OG1 : rot 180:sc= 0 USER MOD Single : C 337 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.8!) USER MOD Single : C 338 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4!) USER MOD Single : C 347 SER OG : rot -84:sc= 1.09 USER MOD Single : C 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 349 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.77) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 362 ASN : amide:sc= -0.682 K(o=-0.68,f=-2.6!) 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= -2.18! C(o=-2.2!,f=-2.6!) USER MOD Single : C 373 THR OG1 : rot -102:sc= -0.541! USER MOD Single : C 374 SER OG : rot -89:sc= 0.486 USER MOD Single : C 383 ASN : amide:sc= -1.15 K(o=-1.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.990 1.239 -15.636 1.00 0.00 N ATOM 2 CA ALA C 327 18.000 0.380 -16.315 1.00 0.00 C ATOM 3 C ALA C 327 17.943 -1.024 -15.726 1.00 0.00 C ATOM 4 O ALA C 327 18.516 -1.289 -14.669 1.00 0.00 O ATOM 5 CB ALA C 327 19.396 0.974 -16.105 1.00 0.00 C ATOM 0 HA ALA C 327 17.786 0.333 -17.383 1.00 0.00 H new ATOM 0 HB1 ALA C 327 20.137 0.347 -16.601 1.00 0.00 H new ATOM 0 HB2 ALA C 327 19.431 1.979 -16.526 1.00 0.00 H new ATOM 0 HB3 ALA C 327 19.615 1.020 -15.038 1.00 0.00 H new ATOM 11 N VAL C 328 17.253 -1.927 -16.417 1.00 0.00 N ATOM 12 CA VAL C 328 17.125 -3.309 -15.955 1.00 0.00 C ATOM 13 C VAL C 328 17.996 -4.223 -16.804 1.00 0.00 C ATOM 14 O VAL C 328 17.939 -4.187 -18.032 1.00 0.00 O ATOM 15 CB VAL C 328 15.668 -3.761 -16.057 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.546 -5.208 -15.569 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.791 -2.850 -15.195 1.00 0.00 C ATOM 0 H VAL C 328 16.775 -1.729 -17.296 1.00 0.00 H new ATOM 0 HA VAL C 328 17.449 -3.362 -14.916 1.00 0.00 H new ATOM 0 HB VAL C 328 15.340 -3.702 -17.095 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.507 -5.530 -15.642 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.170 -5.854 -16.186 1.00 0.00 H new ATOM 0 HG13 VAL C 328 15.874 -5.271 -14.531 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.752 -3.171 -15.267 1.00 0.00 H new ATOM 0 HG22 VAL C 328 15.117 -2.907 -14.157 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.878 -1.822 -15.547 1.00 0.00 H new ATOM 27 N ALA C 329 18.806 -5.040 -16.142 1.00 0.00 N ATOM 28 CA ALA C 329 19.697 -5.965 -16.843 1.00 0.00 C ATOM 29 C ALA C 329 19.708 -7.319 -16.152 1.00 0.00 C ATOM 30 O ALA C 329 19.658 -8.354 -16.813 1.00 0.00 O ATOM 31 CB ALA C 329 21.119 -5.402 -16.872 1.00 0.00 C ATOM 0 H ALA C 329 18.867 -5.083 -15.125 1.00 0.00 H new ATOM 0 HA ALA C 329 19.331 -6.087 -17.863 1.00 0.00 H new ATOM 0 HB1 ALA C 329 21.775 -6.097 -17.396 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.120 -4.443 -17.389 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.477 -5.264 -15.852 1.00 0.00 H new ATOM 37 N THR C 330 19.779 -7.297 -14.819 1.00 0.00 N ATOM 38 CA THR C 330 19.804 -8.533 -14.027 1.00 0.00 C ATOM 39 C THR C 330 18.963 -9.625 -14.698 1.00 0.00 C ATOM 40 O THR C 330 17.985 -9.324 -15.382 1.00 0.00 O ATOM 41 CB THR C 330 19.266 -8.263 -12.613 1.00 0.00 C ATOM 42 OG1 THR C 330 18.124 -7.423 -12.697 1.00 0.00 O ATOM 43 CG2 THR C 330 20.338 -7.579 -11.765 1.00 0.00 C ATOM 0 H THR C 330 19.820 -6.441 -14.265 1.00 0.00 H new ATOM 0 HA THR C 330 20.836 -8.877 -13.963 1.00 0.00 H new ATOM 0 HB THR C 330 18.995 -9.210 -12.147 1.00 0.00 H new ATOM 0 HG1 THR C 330 17.778 -7.251 -11.797 1.00 0.00 H new ATOM 0 HG21 THR C 330 19.947 -7.392 -10.765 1.00 0.00 H new ATOM 0 HG22 THR C 330 21.214 -8.224 -11.697 1.00 0.00 H new ATOM 0 HG23 THR C 330 20.619 -6.633 -12.227 1.00 0.00 H new ATOM 51 N PRO C 331 19.326 -10.870 -14.531 1.00 0.00 N ATOM 52 CA PRO C 331 18.588 -12.011 -15.155 1.00 0.00 C ATOM 53 C PRO C 331 17.191 -12.180 -14.572 1.00 0.00 C ATOM 54 O PRO C 331 16.968 -11.947 -13.383 1.00 0.00 O ATOM 55 CB PRO C 331 19.473 -13.226 -14.837 1.00 0.00 C ATOM 56 CG PRO C 331 20.203 -12.840 -13.596 1.00 0.00 C ATOM 57 CD PRO C 331 20.474 -11.343 -13.730 1.00 0.00 C ATOM 0 HA PRO C 331 18.426 -11.864 -16.223 1.00 0.00 H new ATOM 0 HB2 PRO C 331 18.874 -14.124 -14.683 1.00 0.00 H new ATOM 0 HB3 PRO C 331 20.163 -13.439 -15.653 1.00 0.00 H new ATOM 0 HG2 PRO C 331 19.607 -13.053 -12.708 1.00 0.00 H new ATOM 0 HG3 PRO C 331 21.133 -13.400 -13.498 1.00 0.00 H new ATOM 0 HD2 PRO C 331 20.518 -10.852 -12.758 1.00 0.00 H new ATOM 0 HD3 PRO C 331 21.423 -11.147 -14.229 1.00 0.00 H new ATOM 65 N GLU C 332 16.255 -12.607 -15.413 1.00 0.00 N ATOM 66 CA GLU C 332 14.886 -12.824 -14.966 1.00 0.00 C ATOM 67 C GLU C 332 14.889 -13.588 -13.645 1.00 0.00 C ATOM 68 O GLU C 332 13.935 -13.524 -12.878 1.00 0.00 O ATOM 69 CB GLU C 332 14.116 -13.615 -16.023 1.00 0.00 C ATOM 70 CG GLU C 332 14.798 -14.967 -16.250 1.00 0.00 C ATOM 71 CD GLU C 332 14.104 -15.719 -17.380 1.00 0.00 C ATOM 72 OE1 GLU C 332 14.278 -15.323 -18.520 1.00 0.00 O ATOM 73 OE2 GLU C 332 13.412 -16.679 -17.087 1.00 0.00 O ATOM 0 H GLU C 332 16.418 -12.808 -16.400 1.00 0.00 H new ATOM 0 HA GLU C 332 14.400 -11.860 -14.819 1.00 0.00 H new ATOM 0 HB2 GLU C 332 13.086 -13.766 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU C 332 14.079 -13.054 -16.957 1.00 0.00 H new ATOM 0 HG2 GLU C 332 15.849 -14.816 -16.495 1.00 0.00 H new ATOM 0 HG3 GLU C 332 14.765 -15.558 -15.335 1.00 0.00 H new ATOM 80 N GLU C 333 15.977 -14.309 -13.388 1.00 0.00 N ATOM 81 CA GLU C 333 16.103 -15.072 -12.154 1.00 0.00 C ATOM 82 C GLU C 333 15.766 -14.199 -10.953 1.00 0.00 C ATOM 83 O GLU C 333 14.854 -14.508 -10.185 1.00 0.00 O ATOM 84 CB GLU C 333 17.536 -15.595 -12.027 1.00 0.00 C ATOM 85 CG GLU C 333 17.747 -16.746 -13.010 1.00 0.00 C ATOM 86 CD GLU C 333 16.991 -17.987 -12.544 1.00 0.00 C ATOM 87 OE1 GLU C 333 16.498 -17.976 -11.426 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.920 -18.935 -13.309 1.00 0.00 O ATOM 0 H GLU C 333 16.779 -14.380 -14.015 1.00 0.00 H new ATOM 0 HA GLU C 333 15.406 -15.910 -12.181 1.00 0.00 H new ATOM 0 HB2 GLU C 333 18.246 -14.794 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU C 333 17.722 -15.934 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU C 333 17.403 -16.454 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU C 333 18.810 -16.970 -13.095 1.00 0.00 H new ATOM 95 N LEU C 334 16.502 -13.108 -10.801 1.00 0.00 N ATOM 96 CA LEU C 334 16.261 -12.196 -9.689 1.00 0.00 C ATOM 97 C LEU C 334 14.891 -11.545 -9.809 1.00 0.00 C ATOM 98 O LEU C 334 14.156 -11.442 -8.829 1.00 0.00 O ATOM 99 CB LEU C 334 17.350 -11.114 -9.652 1.00 0.00 C ATOM 100 CG LEU C 334 17.049 -10.095 -8.538 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.910 -10.810 -7.181 1.00 0.00 C ATOM 102 CD2 LEU C 334 18.191 -9.072 -8.477 1.00 0.00 C ATOM 0 H LEU C 334 17.262 -12.833 -11.424 1.00 0.00 H new ATOM 0 HA LEU C 334 16.290 -12.770 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU C 334 18.324 -11.573 -9.481 1.00 0.00 H new ATOM 0 HB3 LEU C 334 17.401 -10.606 -10.615 1.00 0.00 H new ATOM 0 HG LEU C 334 16.110 -9.587 -8.756 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.697 -10.076 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU C 334 16.095 -11.532 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.839 -11.329 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.987 -8.345 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU C 334 19.128 -9.585 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU C 334 18.270 -8.557 -9.435 1.00 0.00 H new ATOM 114 N ALA C 335 14.559 -11.094 -11.011 1.00 0.00 N ATOM 115 CA ALA C 335 13.280 -10.438 -11.237 1.00 0.00 C ATOM 116 C ALA C 335 12.132 -11.350 -10.828 1.00 0.00 C ATOM 117 O ALA C 335 11.228 -10.945 -10.094 1.00 0.00 O ATOM 118 CB ALA C 335 13.149 -10.055 -12.713 1.00 0.00 C ATOM 0 H ALA C 335 15.152 -11.170 -11.837 1.00 0.00 H new ATOM 0 HA ALA C 335 13.236 -9.536 -10.627 1.00 0.00 H new ATOM 0 HB1 ALA C 335 12.190 -9.564 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA C 335 13.956 -9.375 -12.985 1.00 0.00 H new ATOM 0 HB3 ALA C 335 13.208 -10.953 -13.328 1.00 0.00 H new ATOM 124 N VAL C 336 12.182 -12.590 -11.293 1.00 0.00 N ATOM 125 CA VAL C 336 11.146 -13.560 -10.972 1.00 0.00 C ATOM 126 C VAL C 336 11.088 -13.769 -9.466 1.00 0.00 C ATOM 127 O VAL C 336 10.009 -13.791 -8.874 1.00 0.00 O ATOM 128 CB VAL C 336 11.441 -14.891 -11.684 1.00 0.00 C ATOM 129 CG1 VAL C 336 10.503 -15.983 -11.160 1.00 0.00 C ATOM 130 CG2 VAL C 336 11.229 -14.726 -13.195 1.00 0.00 C ATOM 0 H VAL C 336 12.927 -12.947 -11.892 1.00 0.00 H new ATOM 0 HA VAL C 336 10.181 -13.185 -11.313 1.00 0.00 H new ATOM 0 HB VAL C 336 12.474 -15.176 -11.487 1.00 0.00 H new ATOM 0 HG11 VAL C 336 10.718 -16.922 -11.669 1.00 0.00 H new ATOM 0 HG12 VAL C 336 10.654 -16.108 -10.088 1.00 0.00 H new ATOM 0 HG13 VAL C 336 9.469 -15.696 -11.350 1.00 0.00 H new ATOM 0 HG21 VAL C 336 11.439 -15.670 -13.697 1.00 0.00 H new ATOM 0 HG22 VAL C 336 10.197 -14.434 -13.388 1.00 0.00 H new ATOM 0 HG23 VAL C 336 11.901 -13.956 -13.575 1.00 0.00 H new ATOM 140 N ASN C 337 12.252 -13.916 -8.852 1.00 0.00 N ATOM 141 CA ASN C 337 12.314 -14.116 -7.413 1.00 0.00 C ATOM 142 C ASN C 337 11.690 -12.923 -6.700 1.00 0.00 C ATOM 143 O ASN C 337 10.990 -13.085 -5.697 1.00 0.00 O ATOM 144 CB ASN C 337 13.766 -14.292 -6.967 1.00 0.00 C ATOM 145 CG ASN C 337 13.825 -14.541 -5.462 1.00 0.00 C ATOM 146 OD1 ASN C 337 12.913 -14.157 -4.730 1.00 0.00 O ATOM 147 ND2 ASN C 337 14.850 -15.170 -4.956 1.00 0.00 N ATOM 0 H ASN C 337 13.157 -13.901 -9.322 1.00 0.00 H new ATOM 0 HA ASN C 337 11.758 -15.017 -7.156 1.00 0.00 H new ATOM 0 HB2 ASN C 337 14.220 -15.128 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN C 337 14.343 -13.402 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN C 337 14.897 -15.344 -3.952 1.00 0.00 H new ATOM 0 HD22 ASN C 337 15.605 -15.487 -5.564 1.00 0.00 H new ATOM 154 N ASN C 338 11.945 -11.725 -7.226 1.00 0.00 N ATOM 155 CA ASN C 338 11.395 -10.507 -6.640 1.00 0.00 C ATOM 156 C ASN C 338 10.011 -10.241 -7.213 1.00 0.00 C ATOM 157 O ASN C 338 9.044 -10.885 -6.816 1.00 0.00 O ATOM 158 CB ASN C 338 12.323 -9.325 -6.921 1.00 0.00 C ATOM 159 CG ASN C 338 11.863 -8.113 -6.120 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.135 -7.261 -6.629 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.251 -7.996 -4.884 1.00 0.00 N ATOM 0 H ASN C 338 12.525 -11.574 -8.051 1.00 0.00 H new ATOM 0 HA ASN C 338 11.312 -10.634 -5.561 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.348 -9.583 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.320 -9.092 -7.986 1.00 0.00 H new ATOM 0 HD21 ASN C 338 11.952 -7.194 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN C 338 12.854 -8.706 -4.469 1.00 0.00 H new ATOM 168 N ASP C 339 9.920 -9.295 -8.151 1.00 0.00 N ATOM 169 CA ASP C 339 8.646 -8.958 -8.784 1.00 0.00 C ATOM 170 C ASP C 339 7.730 -8.223 -7.800 1.00 0.00 C ATOM 171 O ASP C 339 6.551 -8.014 -8.079 1.00 0.00 O ATOM 172 CB ASP C 339 7.954 -10.243 -9.323 1.00 0.00 C ATOM 173 CG ASP C 339 6.708 -10.611 -8.499 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.821 -10.684 -7.286 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.659 -10.780 -9.093 1.00 0.00 O ATOM 0 H ASP C 339 10.714 -8.750 -8.488 1.00 0.00 H new ATOM 0 HA ASP C 339 8.843 -8.293 -9.625 1.00 0.00 H new ATOM 0 HB2 ASP C 339 7.669 -10.093 -10.364 1.00 0.00 H new ATOM 0 HB3 ASP C 339 8.661 -11.072 -9.302 1.00 0.00 H new ATOM 180 N ASP C 340 8.273 -7.852 -6.644 1.00 0.00 N ATOM 181 CA ASP C 340 7.491 -7.163 -5.621 1.00 0.00 C ATOM 182 C ASP C 340 8.238 -5.941 -5.123 1.00 0.00 C ATOM 183 O ASP C 340 9.443 -5.992 -4.877 1.00 0.00 O ATOM 184 CB ASP C 340 7.221 -8.119 -4.456 1.00 0.00 C ATOM 185 CG ASP C 340 8.539 -8.592 -3.851 1.00 0.00 C ATOM 186 OD1 ASP C 340 9.573 -8.311 -4.437 1.00 0.00 O ATOM 187 OD2 ASP C 340 8.495 -9.227 -2.811 1.00 0.00 O ATOM 0 H ASP C 340 9.248 -8.016 -6.392 1.00 0.00 H new ATOM 0 HA ASP C 340 6.544 -6.840 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.622 -7.618 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP C 340 6.643 -8.975 -4.804 1.00 0.00 H new ATOM 192 N CYS C 341 7.514 -4.838 -4.968 1.00 0.00 N ATOM 193 CA CYS C 341 8.108 -3.592 -4.490 1.00 0.00 C ATOM 194 C CYS C 341 7.741 -3.355 -3.029 1.00 0.00 C ATOM 195 O CYS C 341 6.571 -3.262 -2.688 1.00 0.00 O ATOM 196 CB CYS C 341 7.613 -2.422 -5.358 1.00 0.00 C ATOM 197 SG CYS C 341 8.882 -1.959 -6.561 1.00 0.00 S ATOM 0 H CYS C 341 6.515 -4.780 -5.166 1.00 0.00 H new ATOM 0 HA CYS C 341 9.193 -3.662 -4.565 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.697 -2.705 -5.876 1.00 0.00 H new ATOM 0 HB3 CYS C 341 7.371 -1.567 -4.726 1.00 0.00 H new ATOM 202 N ALA C 342 8.748 -3.246 -2.181 1.00 0.00 N ATOM 203 CA ALA C 342 8.510 -3.011 -0.766 1.00 0.00 C ATOM 204 C ALA C 342 7.930 -1.614 -0.545 1.00 0.00 C ATOM 205 O ALA C 342 7.442 -1.300 0.538 1.00 0.00 O ATOM 206 CB ALA C 342 9.817 -3.153 0.007 1.00 0.00 C ATOM 0 H ALA C 342 9.731 -3.316 -2.443 1.00 0.00 H new ATOM 0 HA ALA C 342 7.793 -3.748 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA C 342 9.634 -2.976 1.067 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.213 -4.159 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.539 -2.425 -0.363 1.00 0.00 H new ATOM 212 N ILE C 343 8.002 -0.777 -1.579 1.00 0.00 N ATOM 213 CA ILE C 343 7.487 0.590 -1.489 1.00 0.00 C ATOM 214 C ILE C 343 6.038 0.675 -1.957 1.00 0.00 C ATOM 215 O ILE C 343 5.142 1.002 -1.180 1.00 0.00 O ATOM 216 CB ILE C 343 8.346 1.524 -2.345 1.00 0.00 C ATOM 217 CG1 ILE C 343 9.749 1.624 -1.737 1.00 0.00 C ATOM 218 CG2 ILE C 343 7.716 2.921 -2.390 1.00 0.00 C ATOM 219 CD1 ILE C 343 10.703 2.336 -2.709 1.00 0.00 C ATOM 0 H ILE C 343 8.409 -1.018 -2.483 1.00 0.00 H new ATOM 0 HA ILE C 343 7.529 0.892 -0.443 1.00 0.00 H new ATOM 0 HB ILE C 343 8.408 1.124 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE C 343 9.706 2.169 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.127 0.627 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.334 3.579 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE C 343 6.717 2.856 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE C 343 7.648 3.322 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE C 343 11.696 2.400 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE C 343 10.759 1.774 -3.641 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.332 3.340 -2.913 1.00 0.00 H new ATOM 231 N CYS C 344 5.815 0.394 -3.241 1.00 0.00 N ATOM 232 CA CYS C 344 4.475 0.457 -3.815 1.00 0.00 C ATOM 233 C CYS C 344 3.764 -0.886 -3.675 1.00 0.00 C ATOM 234 O CYS C 344 2.686 -1.086 -4.234 1.00 0.00 O ATOM 235 CB CYS C 344 4.560 0.850 -5.295 1.00 0.00 C ATOM 236 SG CYS C 344 5.508 -0.395 -6.211 1.00 0.00 S ATOM 0 H CYS C 344 6.544 0.121 -3.900 1.00 0.00 H new ATOM 0 HA CYS C 344 3.902 1.210 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.558 0.938 -5.715 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.034 1.826 -5.394 1.00 0.00 H new ATOM 241 N TRP C 345 4.373 -1.808 -2.932 1.00 0.00 N ATOM 242 CA TRP C 345 3.775 -3.126 -2.741 1.00 0.00 C ATOM 243 C TRP C 345 3.443 -3.755 -4.087 1.00 0.00 C ATOM 244 O TRP C 345 4.217 -3.650 -5.040 1.00 0.00 O ATOM 245 CB TRP C 345 2.504 -3.002 -1.902 1.00 0.00 C ATOM 246 CG TRP C 345 2.760 -2.078 -0.755 1.00 0.00 C ATOM 247 CD1 TRP C 345 3.867 -2.087 0.023 1.00 0.00 C ATOM 248 CD2 TRP C 345 1.910 -1.010 -0.248 1.00 0.00 C ATOM 249 NE1 TRP C 345 3.748 -1.093 0.979 1.00 0.00 N ATOM 250 CE2 TRP C 345 2.559 -0.404 0.853 1.00 0.00 C ATOM 251 CE3 TRP C 345 0.652 -0.518 -0.633 1.00 0.00 C ATOM 252 CZ2 TRP C 345 1.977 0.658 1.548 1.00 0.00 C ATOM 253 CZ3 TRP C 345 0.064 0.549 0.064 1.00 0.00 C ATOM 254 CH2 TRP C 345 0.726 1.136 1.153 1.00 0.00 C ATOM 0 H TRP C 345 5.266 -1.670 -2.459 1.00 0.00 H new ATOM 0 HA TRP C 345 4.490 -3.763 -2.221 1.00 0.00 H new ATOM 0 HB2 TRP C 345 1.686 -2.623 -2.514 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.200 -3.982 -1.534 1.00 0.00 H new ATOM 0 HD1 TRP C 345 4.706 -2.759 -0.084 1.00 0.00 H new ATOM 0 HE1 TRP C 345 4.453 -0.894 1.689 1.00 0.00 H new ATOM 0 HE3 TRP C 345 0.134 -0.963 -1.470 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 2.491 1.107 2.385 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 -0.904 0.920 -0.240 1.00 0.00 H new ATOM 0 HH2 TRP C 345 0.268 1.957 1.685 1.00 0.00 H new ATOM 265 N ASP C 346 2.287 -4.405 -4.162 1.00 0.00 N ATOM 266 CA ASP C 346 1.856 -5.048 -5.400 1.00 0.00 C ATOM 267 C ASP C 346 3.035 -5.738 -6.090 1.00 0.00 C ATOM 268 O ASP C 346 4.070 -5.989 -5.469 1.00 0.00 O ATOM 269 CB ASP C 346 1.247 -4.001 -6.334 1.00 0.00 C ATOM 270 CG ASP C 346 -0.090 -3.522 -5.778 1.00 0.00 C ATOM 271 OD1 ASP C 346 -0.565 -4.125 -4.830 1.00 0.00 O ATOM 272 OD2 ASP C 346 -0.614 -2.553 -6.302 1.00 0.00 O ATOM 0 H ASP C 346 1.633 -4.501 -3.385 1.00 0.00 H new ATOM 0 HA ASP C 346 1.108 -5.804 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP C 346 1.929 -3.157 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP C 346 1.106 -4.426 -7.328 1.00 0.00 H new ATOM 277 N SER C 347 2.873 -6.042 -7.373 1.00 0.00 N ATOM 278 CA SER C 347 3.925 -6.701 -8.137 1.00 0.00 C ATOM 279 C SER C 347 3.742 -6.427 -9.626 1.00 0.00 C ATOM 280 O SER C 347 2.652 -6.071 -10.073 1.00 0.00 O ATOM 281 CB SER C 347 3.890 -8.208 -7.874 1.00 0.00 C ATOM 282 OG SER C 347 4.530 -8.479 -6.636 1.00 0.00 O ATOM 0 H SER C 347 2.025 -5.843 -7.904 1.00 0.00 H new ATOM 0 HA SER C 347 4.891 -6.306 -7.824 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.859 -8.562 -7.850 1.00 0.00 H new ATOM 0 HB3 SER C 347 4.391 -8.742 -8.681 1.00 0.00 H new ATOM 0 HG SER C 347 5.498 -8.543 -6.775 1.00 0.00 H new ATOM 288 N MET C 348 4.815 -6.603 -10.386 1.00 0.00 N ATOM 289 CA MET C 348 4.766 -6.379 -11.830 1.00 0.00 C ATOM 290 C MET C 348 5.846 -7.203 -12.523 1.00 0.00 C ATOM 291 O MET C 348 6.099 -8.350 -12.151 1.00 0.00 O ATOM 292 CB MET C 348 4.964 -4.888 -12.140 1.00 0.00 C ATOM 293 CG MET C 348 4.355 -4.552 -13.507 1.00 0.00 C ATOM 294 SD MET C 348 2.579 -4.275 -13.311 1.00 0.00 S ATOM 295 CE MET C 348 2.208 -3.987 -15.056 1.00 0.00 C ATOM 0 H MET C 348 5.725 -6.898 -10.033 1.00 0.00 H new ATOM 0 HA MET C 348 3.790 -6.690 -12.202 1.00 0.00 H new ATOM 0 HB2 MET C 348 4.496 -4.281 -11.365 1.00 0.00 H new ATOM 0 HB3 MET C 348 6.027 -4.645 -12.136 1.00 0.00 H new ATOM 0 HG2 MET C 348 4.831 -3.664 -13.922 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.533 -5.367 -14.209 1.00 0.00 H new ATOM 0 HE1 MET C 348 1.142 -3.790 -15.174 1.00 0.00 H new ATOM 0 HE2 MET C 348 2.777 -3.128 -15.412 1.00 0.00 H new ATOM 0 HE3 MET C 348 2.481 -4.869 -15.636 1.00 0.00 H new ATOM 305 N GLN C 349 6.483 -6.613 -13.538 1.00 0.00 N ATOM 306 CA GLN C 349 7.533 -7.292 -14.284 1.00 0.00 C ATOM 307 C GLN C 349 8.851 -6.536 -14.163 1.00 0.00 C ATOM 308 O GLN C 349 9.905 -7.138 -13.955 1.00 0.00 O ATOM 309 CB GLN C 349 7.133 -7.377 -15.754 1.00 0.00 C ATOM 310 CG GLN C 349 8.126 -8.251 -16.510 1.00 0.00 C ATOM 311 CD GLN C 349 8.003 -9.701 -16.044 1.00 0.00 C ATOM 312 OE1 GLN C 349 6.892 -10.207 -15.877 1.00 0.00 O ATOM 313 NE2 GLN C 349 9.081 -10.397 -15.810 1.00 0.00 N ATOM 0 H GLN C 349 6.286 -5.665 -13.858 1.00 0.00 H new ATOM 0 HA GLN C 349 7.664 -8.293 -13.874 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.129 -7.791 -15.844 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.107 -6.379 -16.191 1.00 0.00 H new ATOM 0 HG2 GLN C 349 7.938 -8.187 -17.582 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.141 -7.891 -16.343 1.00 0.00 H new ATOM 0 HE21 GLN C 349 10.000 -9.976 -15.949 1.00 0.00 H new ATOM 0 HE22 GLN C 349 9.005 -11.362 -15.488 1.00 0.00 H new ATOM 322 N ALA C 350 8.794 -5.215 -14.300 1.00 0.00 N ATOM 323 CA ALA C 350 10.002 -4.404 -14.211 1.00 0.00 C ATOM 324 C ALA C 350 10.692 -4.631 -12.873 1.00 0.00 C ATOM 325 O ALA C 350 10.059 -4.589 -11.820 1.00 0.00 O ATOM 326 CB ALA C 350 9.648 -2.924 -14.359 1.00 0.00 C ATOM 0 H ALA C 350 7.937 -4.690 -14.471 1.00 0.00 H new ATOM 0 HA ALA C 350 10.678 -4.696 -15.014 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.556 -2.324 -14.291 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.175 -2.758 -15.327 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.961 -2.633 -13.564 1.00 0.00 H new ATOM 332 N ALA C 351 12.000 -4.874 -12.925 1.00 0.00 N ATOM 333 CA ALA C 351 12.780 -5.111 -11.711 1.00 0.00 C ATOM 334 C ALA C 351 14.157 -4.475 -11.827 1.00 0.00 C ATOM 335 O ALA C 351 14.806 -4.566 -12.865 1.00 0.00 O ATOM 336 CB ALA C 351 12.934 -6.610 -11.479 1.00 0.00 C ATOM 0 H ALA C 351 12.540 -4.912 -13.789 1.00 0.00 H new ATOM 0 HA ALA C 351 12.253 -4.661 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.516 -6.780 -10.573 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.949 -7.064 -11.368 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.447 -7.059 -12.329 1.00 0.00 H new ATOM 342 N ARG C 352 14.604 -3.838 -10.752 1.00 0.00 N ATOM 343 CA ARG C 352 15.914 -3.199 -10.746 1.00 0.00 C ATOM 344 C ARG C 352 16.530 -3.294 -9.361 1.00 0.00 C ATOM 345 O ARG C 352 15.816 -3.295 -8.358 1.00 0.00 O ATOM 346 CB ARG C 352 15.787 -1.737 -11.173 1.00 0.00 C ATOM 347 CG ARG C 352 17.180 -1.101 -11.273 1.00 0.00 C ATOM 348 CD ARG C 352 17.138 0.079 -12.246 1.00 0.00 C ATOM 349 NE ARG C 352 18.412 0.786 -12.236 1.00 0.00 N ATOM 350 CZ ARG C 352 18.510 2.020 -12.708 1.00 0.00 C ATOM 351 NH1 ARG C 352 17.457 2.619 -13.189 1.00 0.00 N ATOM 352 NH2 ARG C 352 19.660 2.634 -12.689 1.00 0.00 N ATOM 0 H ARG C 352 14.083 -3.750 -9.879 1.00 0.00 H new ATOM 0 HA ARG C 352 16.564 -3.713 -11.455 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.278 -1.673 -12.135 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.178 -1.190 -10.453 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.508 -0.763 -10.290 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.905 -1.840 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.920 -0.278 -13.253 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.334 0.760 -11.968 1.00 0.00 H new ATOM 0 HE ARG C 352 19.240 0.324 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG C 352 16.558 2.138 -13.202 1.00 0.00 H new ATOM 0 HH12 ARG C 352 17.532 3.569 -13.552 1.00 0.00 H new ATOM 0 HH21 ARG C 352 20.483 2.164 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG C 352 19.737 3.584 -13.052 1.00 0.00 H new ATOM 366 N LYS C 353 17.859 -3.385 -9.307 1.00 0.00 N ATOM 367 CA LYS C 353 18.568 -3.494 -8.032 1.00 0.00 C ATOM 368 C LYS C 353 19.429 -2.269 -7.775 1.00 0.00 C ATOM 369 O LYS C 353 20.292 -1.924 -8.581 1.00 0.00 O ATOM 370 CB LYS C 353 19.447 -4.744 -8.032 1.00 0.00 C ATOM 371 CG LYS C 353 20.235 -4.820 -6.719 1.00 0.00 C ATOM 372 CD LYS C 353 20.971 -6.153 -6.642 1.00 0.00 C ATOM 373 CE LYS C 353 21.744 -6.234 -5.326 1.00 0.00 C ATOM 374 NZ LYS C 353 22.464 -7.537 -5.250 1.00 0.00 N ATOM 0 H LYS C 353 18.464 -3.385 -10.128 1.00 0.00 H new ATOM 0 HA LYS C 353 17.825 -3.565 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS C 353 18.830 -5.635 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.133 -4.718 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS C 353 20.946 -3.996 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.559 -4.717 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.261 -6.977 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS C 353 21.655 -6.252 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.454 -5.410 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.059 -6.135 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 22.990 -7.591 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 21.777 -8.316 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.128 -7.614 -6.047 1.00 0.00 H new ATOM 388 N LEU C 354 19.201 -1.617 -6.642 1.00 0.00 N ATOM 389 CA LEU C 354 19.970 -0.431 -6.287 1.00 0.00 C ATOM 390 C LEU C 354 21.439 -0.799 -6.069 1.00 0.00 C ATOM 391 O LEU C 354 21.759 -1.949 -5.765 1.00 0.00 O ATOM 392 CB LEU C 354 19.392 0.174 -4.994 1.00 0.00 C ATOM 393 CG LEU C 354 18.186 1.072 -5.307 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.312 1.193 -4.056 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.642 2.471 -5.736 1.00 0.00 C ATOM 0 H LEU C 354 18.495 -1.887 -5.957 1.00 0.00 H new ATOM 0 HA LEU C 354 19.907 0.295 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU C 354 19.091 -0.624 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU C 354 20.160 0.754 -4.483 1.00 0.00 H new ATOM 0 HG LEU C 354 17.622 0.623 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.454 1.830 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.964 0.204 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.895 1.632 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.770 3.088 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.219 2.928 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.262 2.394 -6.629 1.00 0.00 H new ATOM 407 N PRO C 355 22.326 0.158 -6.200 1.00 0.00 N ATOM 408 CA PRO C 355 23.787 -0.059 -5.985 1.00 0.00 C ATOM 409 C PRO C 355 24.087 -0.467 -4.537 1.00 0.00 C ATOM 410 O PRO C 355 25.155 -1.006 -4.241 1.00 0.00 O ATOM 411 CB PRO C 355 24.419 1.308 -6.338 1.00 0.00 C ATOM 412 CG PRO C 355 23.306 2.298 -6.179 1.00 0.00 C ATOM 413 CD PRO C 355 22.042 1.554 -6.578 1.00 0.00 C ATOM 0 HA PRO C 355 24.186 -0.871 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.253 1.541 -5.676 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.809 1.312 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.243 2.656 -5.151 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.464 3.171 -6.812 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.167 1.941 -6.055 1.00 0.00 H new ATOM 0 HD3 PRO C 355 21.842 1.647 -7.645 1.00 0.00 H new ATOM 421 N CYS C 356 23.137 -0.202 -3.638 1.00 0.00 N ATOM 422 CA CYS C 356 23.314 -0.540 -2.226 1.00 0.00 C ATOM 423 C CYS C 356 22.980 -2.009 -1.969 1.00 0.00 C ATOM 424 O CYS C 356 23.778 -2.742 -1.385 1.00 0.00 O ATOM 425 CB CYS C 356 22.438 0.373 -1.356 1.00 0.00 C ATOM 426 SG CYS C 356 20.704 -0.150 -1.439 1.00 0.00 S ATOM 0 H CYS C 356 22.246 0.241 -3.860 1.00 0.00 H new ATOM 0 HA CYS C 356 24.360 -0.384 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.784 0.343 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS C 356 22.530 1.405 -1.694 1.00 0.00 H new ATOM 431 N GLY C 357 21.799 -2.429 -2.410 1.00 0.00 N ATOM 432 CA GLY C 357 21.360 -3.813 -2.228 1.00 0.00 C ATOM 433 C GLY C 357 19.857 -3.893 -1.981 1.00 0.00 C ATOM 434 O GLY C 357 19.411 -4.476 -0.992 1.00 0.00 O ATOM 0 H GLY C 357 21.128 -1.834 -2.896 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.616 -4.397 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.892 -4.257 -1.387 1.00 0.00 H new ATOM 438 N HIS C 358 19.073 -3.326 -2.896 1.00 0.00 N ATOM 439 CA HIS C 358 17.613 -3.352 -2.774 1.00 0.00 C ATOM 440 C HIS C 358 16.996 -3.566 -4.146 1.00 0.00 C ATOM 441 O HIS C 358 17.508 -3.064 -5.135 1.00 0.00 O ATOM 442 CB HIS C 358 17.123 -2.027 -2.177 1.00 0.00 C ATOM 443 CG HIS C 358 17.234 -2.083 -0.683 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.363 -1.650 -0.002 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.371 -2.549 0.272 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.148 -1.871 1.307 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.947 -2.414 1.528 1.00 0.00 N ATOM 0 H HIS C 358 19.420 -2.845 -3.726 1.00 0.00 H new ATOM 0 HA HIS C 358 17.315 -4.168 -2.116 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.716 -1.199 -2.566 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.089 -1.844 -2.469 1.00 0.00 H new ATOM 0 HD1 HIS C 358 19.200 -1.240 -0.417 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.391 -2.959 0.078 1.00 0.00 H new ATOM 0 HE1 HIS C 358 18.860 -1.638 2.085 1.00 0.00 H new ATOM 455 N LEU C 359 15.894 -4.324 -4.192 1.00 0.00 N ATOM 456 CA LEU C 359 15.224 -4.624 -5.466 1.00 0.00 C ATOM 457 C LEU C 359 13.982 -3.755 -5.660 1.00 0.00 C ATOM 458 O LEU C 359 12.992 -3.922 -4.951 1.00 0.00 O ATOM 459 CB LEU C 359 14.783 -6.087 -5.463 1.00 0.00 C ATOM 460 CG LEU C 359 15.889 -6.960 -4.876 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.491 -8.429 -4.981 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.188 -6.720 -5.643 1.00 0.00 C ATOM 0 H LEU C 359 15.450 -4.738 -3.372 1.00 0.00 H new ATOM 0 HA LEU C 359 15.927 -4.423 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU C 359 13.870 -6.200 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.553 -6.409 -6.479 1.00 0.00 H new ATOM 0 HG LEU C 359 16.037 -6.703 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.282 -9.051 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU C 359 14.566 -8.596 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.340 -8.691 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU C 359 17.978 -7.343 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU C 359 17.043 -6.975 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.471 -5.671 -5.560 1.00 0.00 H new ATOM 474 N PHE C 360 14.049 -2.834 -6.626 1.00 0.00 N ATOM 475 CA PHE C 360 12.941 -1.912 -6.926 1.00 0.00 C ATOM 476 C PHE C 360 12.606 -1.943 -8.404 1.00 0.00 C ATOM 477 O PHE C 360 13.472 -2.129 -9.261 1.00 0.00 O ATOM 478 CB PHE C 360 13.387 -0.503 -6.512 1.00 0.00 C ATOM 479 CG PHE C 360 13.399 -0.333 -4.992 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.748 -1.227 -4.111 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.205 0.671 -4.454 1.00 0.00 C ATOM 482 CE1 PHE C 360 12.893 -1.081 -2.726 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.334 0.813 -3.069 1.00 0.00 C ATOM 484 CZ PHE C 360 13.682 -0.061 -2.209 1.00 0.00 C ATOM 0 H PHE C 360 14.867 -2.704 -7.221 1.00 0.00 H new ATOM 0 HA PHE C 360 12.045 -2.208 -6.380 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.384 -0.307 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.718 0.235 -6.955 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.137 -2.025 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.734 1.344 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.390 -1.764 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.944 1.607 -2.666 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.788 0.052 -1.140 1.00 0.00 H new ATOM 494 N HIS C 361 11.330 -1.774 -8.688 1.00 0.00 N ATOM 495 CA HIS C 361 10.858 -1.792 -10.051 1.00 0.00 C ATOM 496 C HIS C 361 11.405 -0.586 -10.796 1.00 0.00 C ATOM 497 O HIS C 361 11.768 0.419 -10.186 1.00 0.00 O ATOM 498 CB HIS C 361 9.324 -1.779 -10.080 1.00 0.00 C ATOM 499 CG HIS C 361 8.790 -2.965 -9.318 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.524 -2.973 -8.739 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.335 -4.194 -9.039 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.357 -4.175 -8.151 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.430 -4.954 -8.303 1.00 0.00 N ATOM 0 H HIS C 361 10.603 -1.623 -7.989 1.00 0.00 H new ATOM 0 HA HIS C 361 11.207 -2.702 -10.538 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.950 -0.854 -9.640 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.970 -1.808 -11.111 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.318 -4.522 -9.344 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.464 -4.471 -7.621 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.559 -5.904 -7.954 1.00 0.00 H new ATOM 511 N ASN C 362 11.480 -0.697 -12.114 1.00 0.00 N ATOM 512 CA ASN C 362 12.005 0.392 -12.926 1.00 0.00 C ATOM 513 C ASN C 362 11.145 1.645 -12.775 1.00 0.00 C ATOM 514 O ASN C 362 11.665 2.747 -12.595 1.00 0.00 O ATOM 515 CB ASN C 362 12.032 -0.031 -14.394 1.00 0.00 C ATOM 516 CG ASN C 362 12.813 0.986 -15.217 1.00 0.00 C ATOM 517 OD1 ASN C 362 13.063 2.100 -14.758 1.00 0.00 O ATOM 518 ND2 ASN C 362 13.216 0.665 -16.417 1.00 0.00 N ATOM 0 H ASN C 362 11.188 -1.520 -12.640 1.00 0.00 H new ATOM 0 HA ASN C 362 13.015 0.620 -12.587 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.490 -1.016 -14.489 1.00 0.00 H new ATOM 0 HB3 ASN C 362 11.014 -0.115 -14.775 1.00 0.00 H new ATOM 0 HD21 ASN C 362 13.739 1.338 -16.976 1.00 0.00 H new ATOM 0 HD22 ASN C 362 13.007 -0.259 -16.795 1.00 0.00 H new ATOM 525 N SER C 363 9.830 1.474 -12.850 1.00 0.00 N ATOM 526 CA SER C 363 8.914 2.603 -12.721 1.00 0.00 C ATOM 527 C SER C 363 8.952 3.178 -11.308 1.00 0.00 C ATOM 528 O SER C 363 8.952 4.395 -11.117 1.00 0.00 O ATOM 529 CB SER C 363 7.495 2.150 -13.052 1.00 0.00 C ATOM 530 OG SER C 363 7.405 1.857 -14.438 1.00 0.00 O ATOM 0 H SER C 363 9.376 0.573 -12.998 1.00 0.00 H new ATOM 0 HA SER C 363 9.225 3.381 -13.418 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.237 1.269 -12.465 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.781 2.930 -12.787 1.00 0.00 H new ATOM 0 HG SER C 363 6.495 1.564 -14.652 1.00 0.00 H new ATOM 536 N CYS C 364 8.980 2.290 -10.320 1.00 0.00 N ATOM 537 CA CYS C 364 9.010 2.715 -8.926 1.00 0.00 C ATOM 538 C CYS C 364 10.340 3.360 -8.584 1.00 0.00 C ATOM 539 O CYS C 364 10.386 4.414 -7.954 1.00 0.00 O ATOM 540 CB CYS C 364 8.783 1.519 -8.005 1.00 0.00 C ATOM 541 SG CYS C 364 7.201 0.751 -8.424 1.00 0.00 S ATOM 0 H CYS C 364 8.983 1.279 -10.457 1.00 0.00 H new ATOM 0 HA CYS C 364 8.214 3.446 -8.783 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.593 0.798 -8.116 1.00 0.00 H new ATOM 0 HB3 CYS C 364 8.782 1.840 -6.963 1.00 0.00 H new ATOM 546 N LEU C 365 11.421 2.719 -8.997 1.00 0.00 N ATOM 547 CA LEU C 365 12.743 3.251 -8.709 1.00 0.00 C ATOM 548 C LEU C 365 12.950 4.601 -9.378 1.00 0.00 C ATOM 549 O LEU C 365 13.355 5.566 -8.734 1.00 0.00 O ATOM 550 CB LEU C 365 13.815 2.264 -9.196 1.00 0.00 C ATOM 551 CG LEU C 365 15.223 2.886 -9.078 1.00 0.00 C ATOM 552 CD1 LEU C 365 15.446 3.391 -7.650 1.00 0.00 C ATOM 553 CD2 LEU C 365 16.312 1.840 -9.442 1.00 0.00 C ATOM 0 H LEU C 365 11.412 1.845 -9.523 1.00 0.00 H new ATOM 0 HA LEU C 365 12.828 3.387 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.766 1.347 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU C 365 13.619 1.989 -10.232 1.00 0.00 H new ATOM 0 HG LEU C 365 15.296 3.722 -9.774 1.00 0.00 H new ATOM 0 HD11 LEU C 365 16.441 3.829 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU C 365 14.697 4.145 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU C 365 15.359 2.558 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU C 365 17.298 2.296 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.242 0.991 -8.762 1.00 0.00 H new ATOM 0 HD23 LEU C 365 16.161 1.499 -10.466 1.00 0.00 H new ATOM 565 N ARG C 366 12.666 4.668 -10.673 1.00 0.00 N ATOM 566 CA ARG C 366 12.851 5.909 -11.405 1.00 0.00 C ATOM 567 C ARG C 366 12.056 7.024 -10.744 1.00 0.00 C ATOM 568 O ARG C 366 12.574 8.117 -10.513 1.00 0.00 O ATOM 569 CB ARG C 366 12.388 5.716 -12.848 1.00 0.00 C ATOM 570 CG ARG C 366 12.875 6.885 -13.702 1.00 0.00 C ATOM 571 CD ARG C 366 12.468 6.652 -15.161 1.00 0.00 C ATOM 572 NE ARG C 366 13.175 5.496 -15.704 1.00 0.00 N ATOM 573 CZ ARG C 366 12.910 5.037 -16.923 1.00 0.00 C ATOM 574 NH1 ARG C 366 12.001 5.620 -17.655 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.557 4.003 -17.385 1.00 0.00 N ATOM 0 H ARG C 366 12.312 3.889 -11.229 1.00 0.00 H new ATOM 0 HA ARG C 366 13.906 6.183 -11.398 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.776 4.777 -13.243 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.301 5.652 -12.886 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.447 7.819 -13.338 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.958 6.980 -13.625 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.392 6.492 -15.225 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.694 7.538 -15.755 1.00 0.00 H new ATOM 0 HE ARG C 366 13.885 5.032 -15.138 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.494 6.427 -17.292 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.797 5.269 -18.591 1.00 0.00 H new ATOM 0 HH21 ARG C 366 14.266 3.547 -16.811 1.00 0.00 H new ATOM 0 HH22 ARG C 366 13.354 3.651 -18.320 1.00 0.00 H new ATOM 589 N SER C 367 10.801 6.736 -10.441 1.00 0.00 N ATOM 590 CA SER C 367 9.943 7.724 -9.805 1.00 0.00 C ATOM 591 C SER C 367 10.607 8.241 -8.532 1.00 0.00 C ATOM 592 O SER C 367 10.587 9.442 -8.252 1.00 0.00 O ATOM 593 CB SER C 367 8.587 7.105 -9.464 1.00 0.00 C ATOM 594 OG SER C 367 7.639 8.139 -9.239 1.00 0.00 O ATOM 0 H SER C 367 10.356 5.836 -10.622 1.00 0.00 H new ATOM 0 HA SER C 367 9.789 8.553 -10.495 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.253 6.462 -10.278 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.674 6.477 -8.577 1.00 0.00 H new ATOM 0 HG SER C 367 6.769 7.744 -9.022 1.00 0.00 H new ATOM 600 N TRP C 368 11.202 7.329 -7.774 1.00 0.00 N ATOM 601 CA TRP C 368 11.881 7.704 -6.540 1.00 0.00 C ATOM 602 C TRP C 368 13.110 8.554 -6.841 1.00 0.00 C ATOM 603 O TRP C 368 13.384 9.532 -6.148 1.00 0.00 O ATOM 604 CB TRP C 368 12.302 6.448 -5.773 1.00 0.00 C ATOM 605 CG TRP C 368 12.836 6.838 -4.432 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.141 6.819 -4.077 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.101 7.305 -3.261 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.253 7.239 -2.764 1.00 0.00 N ATOM 609 CE2 TRP C 368 13.025 7.552 -2.218 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.738 7.535 -3.007 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.611 8.010 -0.967 1.00 0.00 C ATOM 612 CZ3 TRP C 368 10.317 7.996 -1.748 1.00 0.00 C ATOM 613 CH2 TRP C 368 11.252 8.234 -0.731 1.00 0.00 C ATOM 0 H TRP C 368 11.229 6.332 -7.989 1.00 0.00 H new ATOM 0 HA TRP C 368 11.191 8.288 -5.931 1.00 0.00 H new ATOM 0 HB2 TRP C 368 11.450 5.778 -5.656 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.061 5.904 -6.334 1.00 0.00 H new ATOM 0 HD1 TRP C 368 14.961 6.524 -4.715 1.00 0.00 H new ATOM 0 HE1 TRP C 368 15.137 7.309 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.010 7.356 -3.784 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 13.336 8.190 -0.187 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 9.267 8.168 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.922 8.590 0.234 1.00 0.00 H new ATOM 624 N LEU C 369 13.853 8.171 -7.876 1.00 0.00 N ATOM 625 CA LEU C 369 15.056 8.908 -8.252 1.00 0.00 C ATOM 626 C LEU C 369 14.705 10.328 -8.684 1.00 0.00 C ATOM 627 O LEU C 369 15.397 11.284 -8.339 1.00 0.00 O ATOM 628 CB LEU C 369 15.774 8.196 -9.398 1.00 0.00 C ATOM 629 CG LEU C 369 16.341 6.856 -8.903 1.00 0.00 C ATOM 630 CD1 LEU C 369 16.899 6.072 -10.095 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.444 7.081 -7.841 1.00 0.00 C ATOM 0 H LEU C 369 13.646 7.363 -8.464 1.00 0.00 H new ATOM 0 HA LEU C 369 15.711 8.952 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.082 8.026 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.579 8.823 -9.781 1.00 0.00 H new ATOM 0 HG LEU C 369 15.540 6.284 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.302 5.121 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.101 5.887 -10.815 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.691 6.650 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.829 6.118 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.255 7.665 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.026 7.620 -6.991 1.00 0.00 H new ATOM 643 N GLU C 370 13.625 10.456 -9.441 1.00 0.00 N ATOM 644 CA GLU C 370 13.193 11.764 -9.914 1.00 0.00 C ATOM 645 C GLU C 370 12.760 12.643 -8.747 1.00 0.00 C ATOM 646 O GLU C 370 13.073 13.832 -8.702 1.00 0.00 O ATOM 647 CB GLU C 370 12.030 11.605 -10.892 1.00 0.00 C ATOM 648 CG GLU C 370 12.530 10.932 -12.172 1.00 0.00 C ATOM 649 CD GLU C 370 11.360 10.670 -13.113 1.00 0.00 C ATOM 650 OE1 GLU C 370 10.241 10.976 -12.736 1.00 0.00 O ATOM 651 OE2 GLU C 370 11.601 10.173 -14.201 1.00 0.00 O ATOM 0 H GLU C 370 13.036 9.678 -9.739 1.00 0.00 H new ATOM 0 HA GLU C 370 14.033 12.241 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.239 11.007 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.600 12.579 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU C 370 13.267 11.567 -12.663 1.00 0.00 H new ATOM 0 HG3 GLU C 370 13.029 9.994 -11.929 1.00 0.00 H new ATOM 658 N GLN C 371 12.033 12.050 -7.803 1.00 0.00 N ATOM 659 CA GLN C 371 11.556 12.797 -6.640 1.00 0.00 C ATOM 660 C GLN C 371 12.651 12.933 -5.588 1.00 0.00 C ATOM 661 O GLN C 371 13.008 14.039 -5.181 1.00 0.00 O ATOM 662 CB GLN C 371 10.341 12.085 -6.024 1.00 0.00 C ATOM 663 CG GLN C 371 9.477 13.097 -5.264 1.00 0.00 C ATOM 664 CD GLN C 371 10.306 13.777 -4.177 1.00 0.00 C ATOM 665 OE1 GLN C 371 10.900 13.103 -3.336 1.00 0.00 O ATOM 666 NE2 GLN C 371 10.384 15.080 -4.150 1.00 0.00 N ATOM 0 H GLN C 371 11.763 11.066 -7.818 1.00 0.00 H new ATOM 0 HA GLN C 371 11.270 13.795 -6.973 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.753 11.606 -6.807 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.674 11.297 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN C 371 9.084 13.844 -5.954 1.00 0.00 H new ATOM 0 HG3 GLN C 371 8.620 12.593 -4.818 1.00 0.00 H new ATOM 0 HE21 GLN C 371 9.890 15.635 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN C 371 10.939 15.543 -3.430 1.00 0.00 H new ATOM 675 N ASP C 372 13.178 11.795 -5.149 1.00 0.00 N ATOM 676 CA ASP C 372 14.234 11.780 -4.139 1.00 0.00 C ATOM 677 C ASP C 372 15.570 11.409 -4.764 1.00 0.00 C ATOM 678 O ASP C 372 15.992 12.033 -5.732 1.00 0.00 O ATOM 679 CB ASP C 372 13.889 10.789 -3.028 1.00 0.00 C ATOM 680 CG ASP C 372 14.860 10.972 -1.865 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.925 11.526 -2.092 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.523 10.564 -0.767 1.00 0.00 O ATOM 0 H ASP C 372 12.893 10.872 -5.475 1.00 0.00 H new ATOM 0 HA ASP C 372 14.313 12.780 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP C 372 12.865 10.947 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.945 9.768 -3.406 1.00 0.00 H new ATOM 687 N THR C 373 16.218 10.386 -4.207 1.00 0.00 N ATOM 688 CA THR C 373 17.518 9.915 -4.715 1.00 0.00 C ATOM 689 C THR C 373 18.277 9.160 -3.622 1.00 0.00 C ATOM 690 O THR C 373 19.337 8.587 -3.870 1.00 0.00 O ATOM 691 CB THR C 373 18.383 11.103 -5.217 1.00 0.00 C ATOM 692 OG1 THR C 373 17.977 12.301 -4.558 1.00 0.00 O ATOM 693 CG2 THR C 373 18.256 11.299 -6.746 1.00 0.00 C ATOM 0 H THR C 373 15.869 9.864 -3.404 1.00 0.00 H new ATOM 0 HA THR C 373 17.324 9.243 -5.551 1.00 0.00 H new ATOM 0 HB THR C 373 19.424 10.876 -4.988 1.00 0.00 H new ATOM 0 HG1 THR C 373 17.414 12.831 -5.160 1.00 0.00 H new ATOM 0 HG21 THR C 373 18.876 12.139 -7.058 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.586 10.395 -7.257 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.216 11.501 -7.002 1.00 0.00 H new ATOM 701 N SER C 374 17.733 9.170 -2.420 1.00 0.00 N ATOM 702 CA SER C 374 18.367 8.488 -1.298 1.00 0.00 C ATOM 703 C SER C 374 17.898 7.053 -1.213 1.00 0.00 C ATOM 704 O SER C 374 17.072 6.618 -2.008 1.00 0.00 O ATOM 705 CB SER C 374 18.047 9.211 0.006 1.00 0.00 C ATOM 706 OG SER C 374 16.656 9.107 0.275 1.00 0.00 O ATOM 0 H SER C 374 16.857 9.640 -2.192 1.00 0.00 H new ATOM 0 HA SER C 374 19.445 8.496 -1.458 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.620 8.777 0.825 1.00 0.00 H new ATOM 0 HB3 SER C 374 18.337 10.259 -0.066 1.00 0.00 H new ATOM 0 HG SER C 374 16.185 9.857 -0.144 1.00 0.00 H new ATOM 712 N CYS C 375 18.434 6.313 -0.246 1.00 0.00 N ATOM 713 CA CYS C 375 18.049 4.918 -0.071 1.00 0.00 C ATOM 714 C CYS C 375 16.840 4.803 0.884 1.00 0.00 C ATOM 715 O CYS C 375 16.971 5.079 2.071 1.00 0.00 O ATOM 716 CB CYS C 375 19.215 4.133 0.508 1.00 0.00 C ATOM 717 SG CYS C 375 18.788 2.376 0.495 1.00 0.00 S ATOM 0 H CYS C 375 19.128 6.652 0.420 1.00 0.00 H new ATOM 0 HA CYS C 375 17.774 4.512 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS C 375 20.117 4.308 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.426 4.464 1.525 1.00 0.00 H new ATOM 722 N PRO C 376 15.682 4.404 0.409 1.00 0.00 N ATOM 723 CA PRO C 376 14.459 4.270 1.269 1.00 0.00 C ATOM 724 C PRO C 376 14.698 3.420 2.517 1.00 0.00 C ATOM 725 O PRO C 376 14.028 3.590 3.535 1.00 0.00 O ATOM 726 CB PRO C 376 13.431 3.591 0.345 1.00 0.00 C ATOM 727 CG PRO C 376 13.882 3.901 -1.040 1.00 0.00 C ATOM 728 CD PRO C 376 15.400 4.035 -0.986 1.00 0.00 C ATOM 0 HA PRO C 376 14.135 5.239 1.650 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.398 2.515 0.516 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.426 3.973 0.526 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.587 3.110 -1.729 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.424 4.823 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.892 3.101 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.757 4.797 -1.679 1.00 0.00 H new ATOM 736 N THR C 377 15.649 2.494 2.424 1.00 0.00 N ATOM 737 CA THR C 377 15.963 1.607 3.545 1.00 0.00 C ATOM 738 C THR C 377 17.264 2.009 4.220 1.00 0.00 C ATOM 739 O THR C 377 17.287 2.318 5.412 1.00 0.00 O ATOM 740 CB THR C 377 16.075 0.166 3.037 1.00 0.00 C ATOM 741 OG1 THR C 377 14.809 -0.265 2.559 1.00 0.00 O ATOM 742 CG2 THR C 377 16.539 -0.751 4.174 1.00 0.00 C ATOM 0 H THR C 377 16.214 2.337 1.589 1.00 0.00 H new ATOM 0 HA THR C 377 15.161 1.686 4.279 1.00 0.00 H new ATOM 0 HB THR C 377 16.803 0.123 2.227 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.920 -1.084 2.032 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.617 -1.774 3.807 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.513 -0.420 4.534 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.818 -0.712 4.990 1.00 0.00 H new ATOM 750 N CYS C 378 18.349 1.986 3.458 1.00 0.00 N ATOM 751 CA CYS C 378 19.652 2.330 4.009 1.00 0.00 C ATOM 752 C CYS C 378 19.689 3.790 4.432 1.00 0.00 C ATOM 753 O CYS C 378 20.497 4.167 5.279 1.00 0.00 O ATOM 754 CB CYS C 378 20.761 2.066 2.988 1.00 0.00 C ATOM 755 SG CYS C 378 20.500 0.451 2.214 1.00 0.00 S ATOM 0 H CYS C 378 18.354 1.736 2.469 1.00 0.00 H new ATOM 0 HA CYS C 378 19.818 1.701 4.884 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.764 2.848 2.229 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.734 2.093 3.478 1.00 0.00 H new ATOM 760 N ARG C 379 18.825 4.610 3.826 1.00 0.00 N ATOM 761 CA ARG C 379 18.771 6.038 4.136 1.00 0.00 C ATOM 762 C ARG C 379 20.074 6.723 3.771 1.00 0.00 C ATOM 763 O ARG C 379 20.364 7.822 4.242 1.00 0.00 O ATOM 764 CB ARG C 379 18.474 6.242 5.623 1.00 0.00 C ATOM 765 CG ARG C 379 17.134 5.580 5.980 1.00 0.00 C ATOM 766 CD ARG C 379 15.973 6.532 5.671 1.00 0.00 C ATOM 767 NE ARG C 379 14.704 5.871 5.934 1.00 0.00 N ATOM 768 CZ ARG C 379 14.212 5.796 7.163 1.00 0.00 C ATOM 769 NH1 ARG C 379 14.877 6.306 8.164 1.00 0.00 N ATOM 770 NH2 ARG C 379 13.067 5.210 7.370 1.00 0.00 N ATOM 0 H ARG C 379 18.155 4.308 3.119 1.00 0.00 H new ATOM 0 HA ARG C 379 17.971 6.484 3.545 1.00 0.00 H new ATOM 0 HB2 ARG C 379 19.274 5.813 6.226 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.437 7.307 5.854 1.00 0.00 H new ATOM 0 HG2 ARG C 379 17.015 4.655 5.415 1.00 0.00 H new ATOM 0 HG3 ARG C 379 17.123 5.312 7.037 1.00 0.00 H new ATOM 0 HD2 ARG C 379 16.057 7.431 6.281 1.00 0.00 H new ATOM 0 HD3 ARG C 379 16.019 6.848 4.629 1.00 0.00 H new ATOM 0 HE ARG C 379 14.184 5.458 5.160 1.00 0.00 H new ATOM 0 HH11 ARG C 379 15.775 6.762 8.000 1.00 0.00 H new ATOM 0 HH12 ARG C 379 14.499 6.249 9.110 1.00 0.00 H new ATOM 0 HH21 ARG C 379 12.550 4.810 6.587 1.00 0.00 H new ATOM 0 HH22 ARG C 379 12.687 5.152 8.315 1.00 0.00 H new ATOM 784 N MET C 380 20.860 6.069 2.920 1.00 0.00 N ATOM 785 CA MET C 380 22.137 6.626 2.482 1.00 0.00 C ATOM 786 C MET C 380 22.040 7.140 1.049 1.00 0.00 C ATOM 787 O MET C 380 21.454 6.489 0.178 1.00 0.00 O ATOM 788 CB MET C 380 23.232 5.558 2.575 1.00 0.00 C ATOM 789 CG MET C 380 24.603 6.179 2.276 1.00 0.00 C ATOM 790 SD MET C 380 24.851 6.240 0.488 1.00 0.00 S ATOM 791 CE MET C 380 26.536 6.897 0.517 1.00 0.00 C ATOM 0 H MET C 380 20.637 5.157 2.521 1.00 0.00 H new ATOM 0 HA MET C 380 22.389 7.462 3.135 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.235 5.115 3.571 1.00 0.00 H new ATOM 0 HB3 MET C 380 23.027 4.754 1.869 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.661 7.183 2.697 1.00 0.00 H new ATOM 0 HG3 MET C 380 25.392 5.591 2.745 1.00 0.00 H new ATOM 0 HE1 MET C 380 26.897 7.017 -0.504 1.00 0.00 H new ATOM 0 HE2 MET C 380 26.541 7.864 1.020 1.00 0.00 H new ATOM 0 HE3 MET C 380 27.187 6.206 1.053 1.00 0.00 H new ATOM 801 N SER C 381 22.620 8.312 0.814 1.00 0.00 N ATOM 802 CA SER C 381 22.609 8.913 -0.514 1.00 0.00 C ATOM 803 C SER C 381 23.366 8.028 -1.499 1.00 0.00 C ATOM 804 O SER C 381 24.596 8.012 -1.514 1.00 0.00 O ATOM 805 CB SER C 381 23.255 10.295 -0.471 1.00 0.00 C ATOM 806 OG SER C 381 24.622 10.165 -0.101 1.00 0.00 O ATOM 0 H SER C 381 23.102 8.863 1.524 1.00 0.00 H new ATOM 0 HA SER C 381 21.574 9.010 -0.842 1.00 0.00 H new ATOM 0 HB2 SER C 381 23.175 10.777 -1.445 1.00 0.00 H new ATOM 0 HB3 SER C 381 22.732 10.931 0.243 1.00 0.00 H new ATOM 0 HG SER C 381 24.990 9.345 -0.491 1.00 0.00 H new ATOM 812 N LEU C 382 22.624 7.297 -2.317 1.00 0.00 N ATOM 813 CA LEU C 382 23.236 6.407 -3.295 1.00 0.00 C ATOM 814 C LEU C 382 23.985 7.200 -4.356 1.00 0.00 C ATOM 815 O LEU C 382 24.679 6.632 -5.200 1.00 0.00 O ATOM 816 CB LEU C 382 22.158 5.551 -3.965 1.00 0.00 C ATOM 817 CG LEU C 382 21.254 6.448 -4.859 1.00 0.00 C ATOM 818 CD1 LEU C 382 21.614 6.254 -6.338 1.00 0.00 C ATOM 819 CD2 LEU C 382 19.774 6.088 -4.656 1.00 0.00 C ATOM 0 H LEU C 382 21.604 7.301 -2.325 1.00 0.00 H new ATOM 0 HA LEU C 382 23.946 5.764 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.623 4.771 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.555 5.051 -3.207 1.00 0.00 H new ATOM 0 HG LEU C 382 21.418 7.487 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.975 6.887 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU C 382 22.657 6.527 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU C 382 21.466 5.210 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.155 6.724 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.613 5.044 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU C 382 19.502 6.240 -3.611 1.00 0.00 H new ATOM 831 N ASN C 383 23.833 8.515 -4.307 1.00 0.00 N ATOM 832 CA ASN C 383 24.499 9.399 -5.266 1.00 0.00 C ATOM 833 C ASN C 383 25.816 9.906 -4.693 1.00 0.00 C ATOM 834 O ASN C 383 25.885 10.323 -3.535 1.00 0.00 O ATOM 835 CB ASN C 383 23.595 10.589 -5.603 1.00 0.00 C ATOM 836 CG ASN C 383 23.358 11.437 -4.358 1.00 0.00 C ATOM 837 OD1 ASN C 383 22.402 11.198 -3.618 1.00 0.00 O ATOM 838 ND2 ASN C 383 24.172 12.417 -4.082 1.00 0.00 N ATOM 0 H ASN C 383 23.257 8.997 -3.617 1.00 0.00 H new ATOM 0 HA ASN C 383 24.701 8.832 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN C 383 24.055 11.195 -6.383 1.00 0.00 H new ATOM 0 HB3 ASN C 383 22.643 10.232 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN C 383 24.019 12.989 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN C 383 24.962 12.612 -4.697 1.00 0.00 H new ATOM 845 N ILE C 384 26.863 9.868 -5.512 1.00 0.00 N ATOM 846 CA ILE C 384 28.180 10.325 -5.081 1.00 0.00 C ATOM 847 C ILE C 384 28.582 9.644 -3.774 1.00 0.00 C ATOM 848 O ILE C 384 29.011 8.504 -3.834 1.00 0.00 O ATOM 849 CB ILE C 384 28.167 11.843 -4.888 1.00 0.00 C ATOM 850 CG1 ILE C 384 27.485 12.507 -6.092 1.00 0.00 C ATOM 851 CG2 ILE C 384 29.601 12.359 -4.763 1.00 0.00 C ATOM 852 CD1 ILE C 384 28.116 12.015 -7.399 1.00 0.00 C ATOM 0 H ILE C 384 26.826 9.527 -6.473 1.00 0.00 H new ATOM 0 HA ILE C 384 28.906 10.064 -5.851 1.00 0.00 H new ATOM 0 HB ILE C 384 27.617 12.086 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE C 384 26.419 12.279 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE C 384 27.579 13.591 -6.020 1.00 0.00 H new ATOM 0 HG21 ILE C 384 29.588 13.440 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE C 384 30.083 11.890 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE C 384 30.156 12.115 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE C 384 27.622 12.494 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE C 384 29.177 12.266 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE C 384 27.998 10.934 -7.475 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 6.981 -1.403 -7.515 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.210 0.229 0.311 1.00 0.00 ZN