USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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: A 367 SER OG : rot 56:sc= 1.04 USER MOD Set 1.2: B 385 THR OG1 : rot 160:sc= -1.9 USER MOD Single : A 311 SER OG : rot 31:sc= 0.619 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.7!) USER MOD Single : A 319 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0977) USER MOD Single : A 323 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 332 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-5.7!) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 153:sc= 0.824 (180deg=-0.0909) USER MOD Single : A 343 GLN : amide:sc= -2.05 K(o=-2,f=-5.8!) USER MOD Single : A 345 MET CE :methyl -123:sc= -0.154 (180deg=-1.28) USER MOD Single : A 351 MET CE :methyl 151:sc= -0.223 (180deg=-1.35!) USER MOD Single : A 354 HIS : no HD1:sc= -2.82 X(o=-2.8,f=-3.3!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 18:sc= 0.175 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.5!) USER MOD Single : B 386 LYS NZ :NH3+ -114:sc= 0.988 (180deg=-2.48!) USER MOD Single : B 387 GLN : amide:sc= -3.96! C(o=-4!,f=-6.6!) USER MOD Single : B 388 THR OG1 : rot -81:sc= 0.965 USER MOD Single : B 391 LYS NZ :NH3+ 158:sc= -0.334 (180deg=-1.03) USER MOD Single : B 392 SER OG : rot 120:sc= -0.654 USER MOD Single : B 393 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -10.411 19.020 -10.477 1.00 0.00 N ATOM 2 CA SER A 311 -9.102 18.856 -9.782 1.00 0.00 C ATOM 3 C SER A 311 -8.885 17.379 -9.445 1.00 0.00 C ATOM 4 O SER A 311 -8.169 17.043 -8.522 1.00 0.00 O ATOM 5 CB SER A 311 -9.104 19.677 -8.492 1.00 0.00 C ATOM 6 OG SER A 311 -9.832 20.880 -8.704 1.00 0.00 O ATOM 0 HA SER A 311 -8.299 19.202 -10.433 1.00 0.00 H new ATOM 0 HB2 SER A 311 -9.555 19.103 -7.682 1.00 0.00 H new ATOM 0 HB3 SER A 311 -8.082 19.905 -8.190 1.00 0.00 H new ATOM 0 HG SER A 311 -10.537 20.723 -9.367 1.00 0.00 H new ATOM 14 N GLY A 312 -9.499 16.496 -10.187 1.00 0.00 N ATOM 15 CA GLY A 312 -9.333 15.038 -9.915 1.00 0.00 C ATOM 16 C GLY A 312 -8.879 14.328 -11.194 1.00 0.00 C ATOM 17 O GLY A 312 -9.622 13.567 -11.783 1.00 0.00 O ATOM 0 H GLY A 312 -10.110 16.722 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -8.600 14.886 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -10.274 14.613 -9.565 1.00 0.00 H new ATOM 21 N PRO A 313 -7.669 14.576 -11.622 1.00 0.00 N ATOM 22 CA PRO A 313 -7.106 13.951 -12.855 1.00 0.00 C ATOM 23 C PRO A 313 -6.729 12.485 -12.634 1.00 0.00 C ATOM 24 O PRO A 313 -6.602 11.718 -13.568 1.00 0.00 O ATOM 25 CB PRO A 313 -5.858 14.783 -13.140 1.00 0.00 C ATOM 26 CG PRO A 313 -5.422 15.284 -11.806 1.00 0.00 C ATOM 27 CD PRO A 313 -6.694 15.476 -10.979 1.00 0.00 C ATOM 0 HA PRO A 313 -7.824 13.945 -13.675 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -5.080 14.181 -13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -6.078 15.607 -13.819 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -4.750 14.573 -11.325 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -4.877 16.223 -11.903 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -6.535 15.213 -9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -7.032 16.512 -10.999 1.00 0.00 H new ATOM 35 N SER A 314 -6.543 12.093 -11.404 1.00 0.00 N ATOM 36 CA SER A 314 -6.168 10.681 -11.122 1.00 0.00 C ATOM 37 C SER A 314 -7.270 9.752 -11.627 1.00 0.00 C ATOM 38 O SER A 314 -8.443 10.063 -11.556 1.00 0.00 O ATOM 39 CB SER A 314 -5.992 10.490 -9.615 1.00 0.00 C ATOM 40 OG SER A 314 -5.005 11.396 -9.140 1.00 0.00 O ATOM 0 H SER A 314 -6.635 12.690 -10.582 1.00 0.00 H new ATOM 0 HA SER A 314 -5.232 10.446 -11.629 1.00 0.00 H new ATOM 0 HB2 SER A 314 -6.938 10.663 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 314 -5.695 9.464 -9.399 1.00 0.00 H new ATOM 0 HG SER A 314 -4.890 11.278 -8.174 1.00 0.00 H new ATOM 46 N CYS A 315 -6.901 8.612 -12.139 1.00 0.00 N ATOM 47 CA CYS A 315 -7.925 7.659 -12.651 1.00 0.00 C ATOM 48 C CYS A 315 -8.938 8.416 -13.514 1.00 0.00 C ATOM 49 O CYS A 315 -10.047 8.685 -13.098 1.00 0.00 O ATOM 50 CB CYS A 315 -8.644 7.000 -11.470 1.00 0.00 C ATOM 51 SG CYS A 315 -7.983 5.335 -11.210 1.00 0.00 S ATOM 0 H CYS A 315 -5.934 8.298 -12.225 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.440 6.890 -13.253 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -8.511 7.600 -10.570 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -9.715 6.951 -11.665 1.00 0.00 H new ATOM 56 N LYS A 316 -8.564 8.765 -14.715 1.00 0.00 N ATOM 57 CA LYS A 316 -9.505 9.506 -15.601 1.00 0.00 C ATOM 58 C LYS A 316 -10.534 8.534 -16.182 1.00 0.00 C ATOM 59 O LYS A 316 -11.466 8.929 -16.853 1.00 0.00 O ATOM 60 CB LYS A 316 -8.721 10.169 -16.732 1.00 0.00 C ATOM 61 CG LYS A 316 -8.153 9.090 -17.643 1.00 0.00 C ATOM 62 CD LYS A 316 -7.225 9.726 -18.680 1.00 0.00 C ATOM 63 CE LYS A 316 -6.902 8.704 -19.771 1.00 0.00 C ATOM 64 NZ LYS A 316 -5.993 9.322 -20.777 1.00 0.00 N ATOM 0 H LYS A 316 -7.649 8.569 -15.120 1.00 0.00 H new ATOM 0 HA LYS A 316 -10.023 10.272 -15.025 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -9.370 10.836 -17.299 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -7.915 10.779 -16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.606 8.354 -17.054 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -8.963 8.559 -18.143 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -7.700 10.604 -19.118 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -6.306 10.066 -18.202 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -6.432 7.824 -19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -7.820 8.368 -20.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -5.773 8.627 -21.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -6.458 10.149 -21.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -5.113 9.622 -20.312 1.00 0.00 H new ATOM 78 N HIS A 317 -10.375 7.265 -15.925 1.00 0.00 N ATOM 79 CA HIS A 317 -11.338 6.269 -16.452 1.00 0.00 C ATOM 80 C HIS A 317 -12.325 5.901 -15.348 1.00 0.00 C ATOM 81 O HIS A 317 -13.387 5.367 -15.598 1.00 0.00 O ATOM 82 CB HIS A 317 -10.576 5.021 -16.893 1.00 0.00 C ATOM 83 CG HIS A 317 -9.632 5.376 -18.009 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.080 5.685 -19.287 1.00 0.00 N ATOM 85 CD2 HIS A 317 -8.263 5.475 -18.057 1.00 0.00 C ATOM 86 CE1 HIS A 317 -8.998 5.954 -20.042 1.00 0.00 C ATOM 87 NE2 HIS A 317 -7.869 5.840 -19.340 1.00 0.00 N ATOM 0 H HIS A 317 -9.613 6.877 -15.369 1.00 0.00 H new ATOM 0 HA HIS A 317 -11.878 6.685 -17.303 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -10.021 4.605 -16.052 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -11.275 4.253 -17.225 1.00 0.00 H new ATOM 0 HD1 HIS A 317 -11.052 5.705 -19.597 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -7.596 5.297 -17.227 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -9.039 6.228 -21.086 1.00 0.00 H new ATOM 96 N CYS A 318 -11.979 6.190 -14.123 1.00 0.00 N ATOM 97 CA CYS A 318 -12.889 5.868 -12.995 1.00 0.00 C ATOM 98 C CYS A 318 -12.914 7.041 -12.015 1.00 0.00 C ATOM 99 O CYS A 318 -11.901 7.461 -11.498 1.00 0.00 O ATOM 100 CB CYS A 318 -12.401 4.596 -12.290 1.00 0.00 C ATOM 101 SG CYS A 318 -11.703 5.002 -10.668 1.00 0.00 S ATOM 0 H CYS A 318 -11.101 6.637 -13.857 1.00 0.00 H new ATOM 0 HA CYS A 318 -13.898 5.697 -13.371 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -13.229 3.897 -12.172 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.649 4.099 -12.903 1.00 0.00 H new ATOM 106 N LYS A 319 -14.070 7.576 -11.764 1.00 0.00 N ATOM 107 CA LYS A 319 -14.170 8.721 -10.823 1.00 0.00 C ATOM 108 C LYS A 319 -13.540 8.324 -9.498 1.00 0.00 C ATOM 109 O LYS A 319 -13.185 9.166 -8.699 1.00 0.00 O ATOM 110 CB LYS A 319 -15.635 9.065 -10.590 1.00 0.00 C ATOM 111 CG LYS A 319 -15.744 10.507 -10.098 1.00 0.00 C ATOM 112 CD LYS A 319 -15.694 11.448 -11.301 1.00 0.00 C ATOM 113 CE LYS A 319 -14.917 12.711 -10.930 1.00 0.00 C ATOM 114 NZ LYS A 319 -15.631 13.433 -9.839 1.00 0.00 N ATOM 0 H LYS A 319 -14.954 7.270 -12.171 1.00 0.00 H new ATOM 0 HA LYS A 319 -13.655 9.585 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -16.201 8.940 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -16.068 8.385 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -16.675 10.648 -9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -14.930 10.733 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -15.217 10.950 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -16.705 11.709 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -13.909 12.449 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -14.815 13.357 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -15.245 14.395 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -16.645 13.486 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -15.502 12.922 -8.942 1.00 0.00 H new ATOM 128 N ASP A 320 -13.415 7.043 -9.259 1.00 0.00 N ATOM 129 CA ASP A 320 -12.815 6.568 -7.982 1.00 0.00 C ATOM 130 C ASP A 320 -13.890 6.562 -6.894 1.00 0.00 C ATOM 131 O ASP A 320 -13.725 7.139 -5.837 1.00 0.00 O ATOM 132 CB ASP A 320 -11.676 7.505 -7.579 1.00 0.00 C ATOM 133 CG ASP A 320 -10.592 6.721 -6.834 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.335 5.591 -7.216 1.00 0.00 O ATOM 135 OD2 ASP A 320 -10.037 7.266 -5.896 1.00 0.00 O ATOM 0 H ASP A 320 -13.705 6.304 -9.899 1.00 0.00 H new ATOM 0 HA ASP A 320 -12.423 5.559 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -11.251 7.977 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -12.059 8.305 -6.945 1.00 0.00 H new ATOM 140 N ASP A 321 -14.994 5.915 -7.149 1.00 0.00 N ATOM 141 CA ASP A 321 -16.084 5.872 -6.138 1.00 0.00 C ATOM 142 C ASP A 321 -15.600 5.142 -4.888 1.00 0.00 C ATOM 143 O ASP A 321 -14.815 4.217 -4.955 1.00 0.00 O ATOM 144 CB ASP A 321 -17.297 5.145 -6.722 1.00 0.00 C ATOM 145 CG ASP A 321 -17.887 5.973 -7.864 1.00 0.00 C ATOM 146 OD1 ASP A 321 -17.511 7.126 -7.989 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.705 5.438 -8.596 1.00 0.00 O ATOM 0 H ASP A 321 -15.187 5.414 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 321 -16.367 6.890 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -17.004 4.161 -7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.048 4.987 -5.947 1.00 0.00 H new ATOM 152 N VAL A 322 -16.064 5.561 -3.746 1.00 0.00 N ATOM 153 CA VAL A 322 -15.643 4.913 -2.479 1.00 0.00 C ATOM 154 C VAL A 322 -16.243 3.511 -2.393 1.00 0.00 C ATOM 155 O VAL A 322 -15.679 2.618 -1.794 1.00 0.00 O ATOM 156 CB VAL A 322 -16.133 5.754 -1.297 1.00 0.00 C ATOM 157 CG1 VAL A 322 -15.845 5.018 0.013 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.405 7.099 -1.294 1.00 0.00 C ATOM 0 H VAL A 322 -16.723 6.332 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.556 4.839 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.206 5.919 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -16.195 5.619 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -16.363 4.059 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -14.772 4.851 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.753 7.699 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -14.332 6.932 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.611 7.626 -2.226 1.00 0.00 H new ATOM 168 N ASN A 323 -17.398 3.320 -2.966 1.00 0.00 N ATOM 169 CA ASN A 323 -18.055 1.986 -2.894 1.00 0.00 C ATOM 170 C ASN A 323 -17.585 1.076 -4.035 1.00 0.00 C ATOM 171 O ASN A 323 -17.987 -0.067 -4.121 1.00 0.00 O ATOM 172 CB ASN A 323 -19.568 2.180 -2.994 1.00 0.00 C ATOM 173 CG ASN A 323 -20.041 3.088 -1.858 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.821 3.994 -2.074 1.00 0.00 O ATOM 175 ND2 ASN A 323 -19.602 2.882 -0.647 1.00 0.00 N ATOM 0 H ASN A 323 -17.916 4.031 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 323 -17.789 1.513 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.826 2.620 -3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.074 1.216 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -19.914 3.481 0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -18.947 2.122 -0.464 1.00 0.00 H new ATOM 182 N ARG A 324 -16.745 1.554 -4.913 1.00 0.00 N ATOM 183 CA ARG A 324 -16.282 0.676 -6.028 1.00 0.00 C ATOM 184 C ARG A 324 -14.825 0.984 -6.381 1.00 0.00 C ATOM 185 O ARG A 324 -14.449 2.121 -6.584 1.00 0.00 O ATOM 186 CB ARG A 324 -17.163 0.907 -7.256 1.00 0.00 C ATOM 187 CG ARG A 324 -18.594 0.460 -6.950 1.00 0.00 C ATOM 188 CD ARG A 324 -19.451 0.591 -8.211 1.00 0.00 C ATOM 189 NE ARG A 324 -20.880 0.342 -7.867 1.00 0.00 N ATOM 190 CZ ARG A 324 -21.285 -0.868 -7.595 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.439 -1.861 -7.624 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.536 -1.084 -7.294 1.00 0.00 N ATOM 0 H ARG A 324 -16.363 2.500 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.355 -0.364 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.151 1.961 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.771 0.351 -8.107 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.597 -0.573 -6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.013 1.068 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -19.337 1.587 -8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -19.118 -0.121 -8.966 1.00 0.00 H new ATOM 0 HE ARG A 324 -21.541 1.118 -7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.461 -1.691 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.756 -2.807 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -23.197 -0.307 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.853 -2.030 -7.081 1.00 0.00 H new ATOM 206 N LEU A 325 -14.003 -0.030 -6.470 1.00 0.00 N ATOM 207 CA LEU A 325 -12.574 0.189 -6.827 1.00 0.00 C ATOM 208 C LEU A 325 -12.355 -0.215 -8.289 1.00 0.00 C ATOM 209 O LEU A 325 -12.897 -1.200 -8.749 1.00 0.00 O ATOM 210 CB LEU A 325 -11.688 -0.667 -5.917 1.00 0.00 C ATOM 211 CG LEU A 325 -10.848 0.239 -5.013 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.270 -0.583 -3.860 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.703 0.849 -5.827 1.00 0.00 C ATOM 0 H LEU A 325 -14.264 -1.003 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.316 1.240 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.306 -1.330 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.037 -1.301 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.476 1.035 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.672 0.063 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.084 -1.019 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -9.642 -1.379 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.104 1.495 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -9.076 0.052 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.113 1.435 -6.649 1.00 0.00 H new ATOM 225 N CYS A 326 -11.570 0.533 -9.021 1.00 0.00 N ATOM 226 CA CYS A 326 -11.324 0.181 -10.449 1.00 0.00 C ATOM 227 C CYS A 326 -9.895 -0.345 -10.615 1.00 0.00 C ATOM 228 O CYS A 326 -9.039 -0.129 -9.782 1.00 0.00 O ATOM 229 CB CYS A 326 -11.539 1.408 -11.332 1.00 0.00 C ATOM 230 SG CYS A 326 -9.946 2.054 -11.880 1.00 0.00 S ATOM 0 H CYS A 326 -11.090 1.370 -8.691 1.00 0.00 H new ATOM 0 HA CYS A 326 -12.025 -0.597 -10.752 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -12.151 1.144 -12.195 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -12.082 2.175 -10.779 1.00 0.00 H new ATOM 235 N ARG A 327 -9.650 -1.059 -11.678 1.00 0.00 N ATOM 236 CA ARG A 327 -8.299 -1.652 -11.911 1.00 0.00 C ATOM 237 C ARG A 327 -7.201 -0.583 -11.922 1.00 0.00 C ATOM 238 O ARG A 327 -6.094 -0.827 -11.486 1.00 0.00 O ATOM 239 CB ARG A 327 -8.310 -2.379 -13.257 1.00 0.00 C ATOM 240 CG ARG A 327 -9.327 -3.520 -13.207 1.00 0.00 C ATOM 241 CD ARG A 327 -9.305 -4.290 -14.528 1.00 0.00 C ATOM 242 NE ARG A 327 -10.445 -5.248 -14.562 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.759 -5.851 -15.677 1.00 0.00 C ATOM 244 NH1 ARG A 327 -10.072 -5.615 -16.762 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.758 -6.689 -15.707 1.00 0.00 N ATOM 0 H ARG A 327 -10.336 -1.261 -12.406 1.00 0.00 H new ATOM 0 HA ARG A 327 -8.081 -2.342 -11.096 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -8.565 -1.684 -14.057 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -7.318 -2.771 -13.480 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.094 -4.191 -12.380 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -10.325 -3.122 -13.024 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -9.373 -3.597 -15.367 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.362 -4.826 -14.633 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.981 -5.433 -13.714 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -9.290 -4.960 -16.738 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.317 -6.086 -17.633 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.294 -6.874 -14.859 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -12.003 -7.160 -16.578 1.00 0.00 H new ATOM 259 N VAL A 328 -7.473 0.588 -12.426 1.00 0.00 N ATOM 260 CA VAL A 328 -6.406 1.630 -12.461 1.00 0.00 C ATOM 261 C VAL A 328 -5.976 1.981 -11.035 1.00 0.00 C ATOM 262 O VAL A 328 -4.802 2.116 -10.753 1.00 0.00 O ATOM 263 CB VAL A 328 -6.914 2.879 -13.181 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.855 3.976 -13.105 1.00 0.00 C ATOM 265 CG2 VAL A 328 -7.192 2.542 -14.648 1.00 0.00 C ATOM 0 H VAL A 328 -8.375 0.868 -12.811 1.00 0.00 H new ATOM 0 HA VAL A 328 -5.546 1.239 -13.005 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.832 3.225 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -6.217 4.867 -13.618 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.653 4.215 -12.061 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.938 3.630 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -7.554 3.432 -15.163 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -6.273 2.197 -15.122 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -7.946 1.757 -14.704 1.00 0.00 H new ATOM 275 N CYS A 329 -6.907 2.111 -10.127 1.00 0.00 N ATOM 276 CA CYS A 329 -6.528 2.430 -8.720 1.00 0.00 C ATOM 277 C CYS A 329 -6.586 1.147 -7.892 1.00 0.00 C ATOM 278 O CYS A 329 -6.336 1.148 -6.704 1.00 0.00 O ATOM 279 CB CYS A 329 -7.481 3.477 -8.126 1.00 0.00 C ATOM 280 SG CYS A 329 -9.196 3.044 -8.500 1.00 0.00 S ATOM 0 H CYS A 329 -7.908 2.011 -10.298 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.519 2.841 -8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -7.340 3.537 -7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.250 4.462 -8.532 1.00 0.00 H new ATOM 285 N ALA A 330 -6.911 0.048 -8.522 1.00 0.00 N ATOM 286 CA ALA A 330 -6.987 -1.249 -7.791 1.00 0.00 C ATOM 287 C ALA A 330 -5.996 -2.236 -8.414 1.00 0.00 C ATOM 288 O ALA A 330 -4.862 -1.898 -8.688 1.00 0.00 O ATOM 289 CB ALA A 330 -8.404 -1.807 -7.902 1.00 0.00 C ATOM 0 H ALA A 330 -7.128 -0.006 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.738 -1.097 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.464 -2.756 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.109 -1.100 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.652 -1.964 -8.952 1.00 0.00 H new ATOM 295 N CYS A 331 -6.412 -3.454 -8.647 1.00 0.00 N ATOM 296 CA CYS A 331 -5.484 -4.446 -9.258 1.00 0.00 C ATOM 297 C CYS A 331 -5.550 -4.326 -10.778 1.00 0.00 C ATOM 298 O CYS A 331 -6.596 -4.089 -11.349 1.00 0.00 O ATOM 299 CB CYS A 331 -5.882 -5.862 -8.843 1.00 0.00 C ATOM 300 SG CYS A 331 -4.494 -6.651 -7.990 1.00 0.00 S ATOM 0 H CYS A 331 -7.349 -3.801 -8.441 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.469 -4.247 -8.914 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.754 -5.830 -8.190 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -6.163 -6.445 -9.720 1.00 0.00 H new ATOM 305 N HIS A 332 -4.440 -4.479 -11.441 1.00 0.00 N ATOM 306 CA HIS A 332 -4.435 -4.364 -12.925 1.00 0.00 C ATOM 307 C HIS A 332 -5.441 -5.346 -13.534 1.00 0.00 C ATOM 308 O HIS A 332 -6.100 -5.036 -14.506 1.00 0.00 O ATOM 309 CB HIS A 332 -3.035 -4.677 -13.455 1.00 0.00 C ATOM 310 CG HIS A 332 -3.006 -4.477 -14.945 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.207 -5.523 -15.835 1.00 0.00 N ATOM 312 CD2 HIS A 332 -2.803 -3.360 -15.717 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.122 -5.017 -17.081 1.00 0.00 C ATOM 314 NE2 HIS A 332 -2.877 -3.706 -17.061 1.00 0.00 N ATOM 0 H HIS A 332 -3.533 -4.679 -11.019 1.00 0.00 H new ATOM 0 HA HIS A 332 -4.716 -3.348 -13.203 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.300 -4.030 -12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.763 -5.704 -13.210 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -2.615 -2.366 -15.338 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.238 -5.600 -17.983 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.767 -3.087 -17.864 1.00 0.00 H new ATOM 323 N LEU A 333 -5.551 -6.532 -12.988 1.00 0.00 N ATOM 324 CA LEU A 333 -6.504 -7.531 -13.560 1.00 0.00 C ATOM 325 C LEU A 333 -7.586 -7.904 -12.540 1.00 0.00 C ATOM 326 O LEU A 333 -8.758 -7.951 -12.857 1.00 0.00 O ATOM 327 CB LEU A 333 -5.731 -8.793 -13.952 1.00 0.00 C ATOM 328 CG LEU A 333 -4.597 -8.424 -14.910 1.00 0.00 C ATOM 329 CD1 LEU A 333 -3.877 -9.697 -15.361 1.00 0.00 C ATOM 330 CD2 LEU A 333 -5.175 -7.708 -16.133 1.00 0.00 C ATOM 0 H LEU A 333 -5.024 -6.850 -12.174 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.986 -7.091 -14.433 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -5.326 -9.275 -13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -6.402 -9.510 -14.425 1.00 0.00 H new ATOM 0 HG LEU A 333 -3.892 -7.766 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -3.069 -9.435 -16.044 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -3.466 -10.210 -14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -4.583 -10.354 -15.869 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -4.367 -7.445 -16.816 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -5.880 -8.367 -16.641 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -5.690 -6.802 -15.814 1.00 0.00 H new ATOM 342 N CYS A 334 -7.205 -8.199 -11.328 1.00 0.00 N ATOM 343 CA CYS A 334 -8.217 -8.603 -10.306 1.00 0.00 C ATOM 344 C CYS A 334 -9.234 -7.484 -10.069 1.00 0.00 C ATOM 345 O CYS A 334 -10.422 -7.666 -10.253 1.00 0.00 O ATOM 346 CB CYS A 334 -7.507 -8.929 -8.989 1.00 0.00 C ATOM 347 SG CYS A 334 -6.023 -9.907 -9.333 1.00 0.00 S ATOM 0 H CYS A 334 -6.240 -8.179 -10.999 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.748 -9.481 -10.674 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.238 -8.009 -8.471 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -8.176 -9.482 -8.330 1.00 0.00 H new ATOM 352 N GLY A 335 -8.789 -6.335 -9.649 1.00 0.00 N ATOM 353 CA GLY A 335 -9.741 -5.219 -9.387 1.00 0.00 C ATOM 354 C GLY A 335 -10.539 -5.536 -8.124 1.00 0.00 C ATOM 355 O GLY A 335 -11.664 -5.107 -7.961 1.00 0.00 O ATOM 0 H GLY A 335 -7.807 -6.119 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.198 -4.282 -9.265 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.413 -5.090 -10.235 1.00 0.00 H new ATOM 359 N GLY A 336 -9.963 -6.290 -7.230 1.00 0.00 N ATOM 360 CA GLY A 336 -10.686 -6.645 -5.979 1.00 0.00 C ATOM 361 C GLY A 336 -10.196 -5.768 -4.829 1.00 0.00 C ATOM 362 O GLY A 336 -9.281 -4.983 -4.975 1.00 0.00 O ATOM 0 H GLY A 336 -9.022 -6.676 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.759 -6.511 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -10.524 -7.696 -5.741 1.00 0.00 H new ATOM 366 N ARG A 337 -10.801 -5.904 -3.682 1.00 0.00 N ATOM 367 CA ARG A 337 -10.386 -5.094 -2.507 1.00 0.00 C ATOM 368 C ARG A 337 -9.691 -6.010 -1.496 1.00 0.00 C ATOM 369 O ARG A 337 -9.511 -5.665 -0.346 1.00 0.00 O ATOM 370 CB ARG A 337 -11.624 -4.467 -1.865 1.00 0.00 C ATOM 371 CG ARG A 337 -12.340 -3.587 -2.891 1.00 0.00 C ATOM 372 CD ARG A 337 -13.521 -2.881 -2.225 1.00 0.00 C ATOM 373 NE ARG A 337 -14.429 -3.894 -1.621 1.00 0.00 N ATOM 374 CZ ARG A 337 -15.684 -3.604 -1.411 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.144 -2.425 -1.730 1.00 0.00 N ATOM 376 NH2 ARG A 337 -16.480 -4.493 -0.882 1.00 0.00 N ATOM 0 H ARG A 337 -11.572 -6.548 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 337 -9.702 -4.304 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -12.296 -5.247 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.336 -3.872 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -11.648 -2.852 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -12.690 -4.195 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -13.162 -2.195 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.062 -2.284 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 337 -14.070 -4.815 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.523 -1.730 -2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -17.125 -2.199 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -16.121 -5.415 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -17.461 -4.266 -0.718 1.00 0.00 H new ATOM 390 N GLN A 338 -9.322 -7.187 -1.921 1.00 0.00 N ATOM 391 CA GLN A 338 -8.659 -8.153 -0.998 1.00 0.00 C ATOM 392 C GLN A 338 -7.361 -7.562 -0.441 1.00 0.00 C ATOM 393 O GLN A 338 -6.645 -6.852 -1.119 1.00 0.00 O ATOM 394 CB GLN A 338 -8.336 -9.433 -1.771 1.00 0.00 C ATOM 395 CG GLN A 338 -9.628 -10.028 -2.335 1.00 0.00 C ATOM 396 CD GLN A 338 -9.308 -11.321 -3.087 1.00 0.00 C ATOM 397 OE1 GLN A 338 -9.181 -12.371 -2.489 1.00 0.00 O ATOM 398 NE2 GLN A 338 -9.168 -11.287 -4.384 1.00 0.00 N ATOM 0 H GLN A 338 -9.452 -7.524 -2.875 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.331 -8.368 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.639 -9.216 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -7.847 -10.153 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -10.331 -10.229 -1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.108 -9.314 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -9.275 -10.405 -4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -8.952 -12.142 -4.896 1.00 0.00 H new ATOM 407 N ASP A 339 -7.057 -7.864 0.792 1.00 0.00 N ATOM 408 CA ASP A 339 -5.805 -7.343 1.415 1.00 0.00 C ATOM 409 C ASP A 339 -5.568 -5.888 0.997 1.00 0.00 C ATOM 410 O ASP A 339 -4.626 -5.585 0.292 1.00 0.00 O ATOM 411 CB ASP A 339 -4.623 -8.205 0.966 1.00 0.00 C ATOM 412 CG ASP A 339 -4.411 -9.339 1.970 1.00 0.00 C ATOM 413 OD1 ASP A 339 -5.303 -10.160 2.103 1.00 0.00 O ATOM 414 OD2 ASP A 339 -3.359 -9.369 2.589 1.00 0.00 O ATOM 0 H ASP A 339 -7.626 -8.454 1.399 1.00 0.00 H new ATOM 0 HA ASP A 339 -5.902 -7.384 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -4.813 -8.614 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -3.722 -7.596 0.893 1.00 0.00 H new ATOM 419 N PRO A 340 -6.413 -4.995 1.437 1.00 0.00 N ATOM 420 CA PRO A 340 -6.288 -3.545 1.112 1.00 0.00 C ATOM 421 C PRO A 340 -5.003 -2.939 1.688 1.00 0.00 C ATOM 422 O PRO A 340 -4.423 -2.029 1.128 1.00 0.00 O ATOM 423 CB PRO A 340 -7.515 -2.897 1.770 1.00 0.00 C ATOM 424 CG PRO A 340 -8.434 -4.015 2.141 1.00 0.00 C ATOM 425 CD PRO A 340 -7.574 -5.266 2.291 1.00 0.00 C ATOM 0 HA PRO A 340 -6.241 -3.382 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.226 -2.323 2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -8.003 -2.204 1.084 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.957 -3.792 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.195 -4.160 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.279 -5.427 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.108 -6.160 1.969 1.00 0.00 H new ATOM 433 N ASP A 341 -4.565 -3.437 2.812 1.00 0.00 N ATOM 434 CA ASP A 341 -3.330 -2.904 3.452 1.00 0.00 C ATOM 435 C ASP A 341 -2.098 -3.209 2.591 1.00 0.00 C ATOM 436 O ASP A 341 -1.120 -2.491 2.619 1.00 0.00 O ATOM 437 CB ASP A 341 -3.161 -3.557 4.824 1.00 0.00 C ATOM 438 CG ASP A 341 -4.291 -3.103 5.748 1.00 0.00 C ATOM 439 OD1 ASP A 341 -4.977 -2.160 5.394 1.00 0.00 O ATOM 440 OD2 ASP A 341 -4.451 -3.707 6.796 1.00 0.00 O ATOM 0 H ASP A 341 -5.016 -4.199 3.319 1.00 0.00 H new ATOM 0 HA ASP A 341 -3.423 -1.823 3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -3.171 -4.642 4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -2.196 -3.285 5.252 1.00 0.00 H new ATOM 445 N LYS A 342 -2.127 -4.278 1.847 1.00 0.00 N ATOM 446 CA LYS A 342 -0.943 -4.636 1.012 1.00 0.00 C ATOM 447 C LYS A 342 -1.047 -3.993 -0.373 1.00 0.00 C ATOM 448 O LYS A 342 -0.470 -4.471 -1.328 1.00 0.00 O ATOM 449 CB LYS A 342 -0.867 -6.155 0.864 1.00 0.00 C ATOM 450 CG LYS A 342 -0.668 -6.786 2.243 1.00 0.00 C ATOM 451 CD LYS A 342 -0.472 -8.295 2.091 1.00 0.00 C ATOM 452 CE LYS A 342 -0.389 -8.942 3.475 1.00 0.00 C ATOM 453 NZ LYS A 342 -1.619 -8.612 4.251 1.00 0.00 N ATOM 0 H LYS A 342 -2.917 -4.920 1.779 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.043 -4.265 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.781 -6.534 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -0.043 -6.427 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 342 0.198 -6.344 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -1.532 -6.583 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.299 -8.725 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 342 0.438 -8.499 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -0.286 -10.023 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 342 0.495 -8.584 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -1.799 -9.360 4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -1.487 -7.704 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -2.429 -8.541 3.603 1.00 0.00 H new ATOM 467 N GLN A 343 -1.773 -2.917 -0.497 1.00 0.00 N ATOM 468 CA GLN A 343 -1.894 -2.264 -1.830 1.00 0.00 C ATOM 469 C GLN A 343 -0.701 -1.331 -2.052 1.00 0.00 C ATOM 470 O GLN A 343 -0.570 -0.308 -1.411 1.00 0.00 O ATOM 471 CB GLN A 343 -3.192 -1.458 -1.887 1.00 0.00 C ATOM 472 CG GLN A 343 -4.384 -2.414 -1.833 1.00 0.00 C ATOM 473 CD GLN A 343 -5.684 -1.609 -1.796 1.00 0.00 C ATOM 474 OE1 GLN A 343 -5.676 -0.433 -1.486 1.00 0.00 O ATOM 475 NE2 GLN A 343 -6.809 -2.194 -2.104 1.00 0.00 N ATOM 0 H GLN A 343 -2.284 -2.464 0.261 1.00 0.00 H new ATOM 0 HA GLN A 343 -1.907 -3.027 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.235 -0.757 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -3.227 -0.867 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -4.376 -3.071 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -4.313 -3.051 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -6.816 -3.180 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -7.681 -1.665 -2.085 1.00 0.00 H new ATOM 484 N LEU A 344 0.167 -1.684 -2.962 1.00 0.00 N ATOM 485 CA LEU A 344 1.358 -0.836 -3.248 1.00 0.00 C ATOM 486 C LEU A 344 1.277 -0.316 -4.685 1.00 0.00 C ATOM 487 O LEU A 344 0.956 -1.053 -5.603 1.00 0.00 O ATOM 488 CB LEU A 344 2.630 -1.671 -3.071 1.00 0.00 C ATOM 489 CG LEU A 344 3.863 -0.801 -3.332 1.00 0.00 C ATOM 490 CD1 LEU A 344 3.966 0.284 -2.260 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.117 -1.678 -3.291 1.00 0.00 C ATOM 0 H LEU A 344 0.100 -2.532 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 344 1.382 0.009 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 344 2.670 -2.080 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 344 2.619 -2.517 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 344 3.774 -0.331 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.845 0.901 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 344 3.072 0.908 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 344 4.054 -0.182 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 344 5.997 -1.063 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.201 -2.146 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.046 -2.450 -4.057 1.00 0.00 H new ATOM 503 N MET A 345 1.558 0.946 -4.888 1.00 0.00 N ATOM 504 CA MET A 345 1.492 1.509 -6.265 1.00 0.00 C ATOM 505 C MET A 345 2.708 2.386 -6.546 1.00 0.00 C ATOM 506 O MET A 345 3.244 3.033 -5.668 1.00 0.00 O ATOM 507 CB MET A 345 0.214 2.336 -6.421 1.00 0.00 C ATOM 508 CG MET A 345 0.107 2.853 -7.861 1.00 0.00 C ATOM 509 SD MET A 345 -1.317 3.961 -8.007 1.00 0.00 S ATOM 510 CE MET A 345 -2.615 2.703 -7.915 1.00 0.00 C ATOM 0 H MET A 345 1.829 1.607 -4.160 1.00 0.00 H new ATOM 0 HA MET A 345 1.485 0.685 -6.979 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.657 1.727 -6.177 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.223 3.173 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.020 3.380 -8.137 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.001 2.016 -8.551 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.244 2.763 -8.803 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.160 1.714 -7.859 1.00 0.00 H new ATOM 0 HE3 MET A 345 -3.224 2.873 -7.027 1.00 0.00 H new ATOM 520 N CYS A 346 3.139 2.418 -7.780 1.00 0.00 N ATOM 521 CA CYS A 346 4.314 3.262 -8.138 1.00 0.00 C ATOM 522 C CYS A 346 3.831 4.696 -8.364 1.00 0.00 C ATOM 523 O CYS A 346 2.966 4.950 -9.174 1.00 0.00 O ATOM 524 CB CYS A 346 4.963 2.713 -9.413 1.00 0.00 C ATOM 525 SG CYS A 346 6.155 3.906 -10.076 1.00 0.00 S ATOM 0 H CYS A 346 2.728 1.896 -8.554 1.00 0.00 H new ATOM 0 HA CYS A 346 5.052 3.248 -7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.464 1.770 -9.197 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.196 2.503 -10.158 1.00 0.00 H new ATOM 530 N ASP A 347 4.365 5.636 -7.637 1.00 0.00 N ATOM 531 CA ASP A 347 3.909 7.046 -7.799 1.00 0.00 C ATOM 532 C ASP A 347 3.996 7.463 -9.267 1.00 0.00 C ATOM 533 O ASP A 347 3.126 8.136 -9.783 1.00 0.00 O ATOM 534 CB ASP A 347 4.806 7.962 -6.961 1.00 0.00 C ATOM 535 CG ASP A 347 4.187 9.359 -6.889 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.097 9.530 -7.410 1.00 0.00 O ATOM 537 OD2 ASP A 347 4.814 10.234 -6.316 1.00 0.00 O ATOM 0 H ASP A 347 5.095 5.491 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 347 2.874 7.128 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 347 4.924 7.553 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 347 5.801 8.016 -7.402 1.00 0.00 H new ATOM 542 N GLU A 348 5.041 7.081 -9.939 1.00 0.00 N ATOM 543 CA GLU A 348 5.191 7.468 -11.369 1.00 0.00 C ATOM 544 C GLU A 348 4.207 6.690 -12.252 1.00 0.00 C ATOM 545 O GLU A 348 3.768 7.182 -13.274 1.00 0.00 O ATOM 546 CB GLU A 348 6.626 7.195 -11.815 1.00 0.00 C ATOM 547 CG GLU A 348 6.829 7.738 -13.232 1.00 0.00 C ATOM 548 CD GLU A 348 8.269 7.479 -13.681 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.084 7.158 -12.833 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.533 7.620 -14.864 1.00 0.00 O ATOM 0 H GLU A 348 5.801 6.516 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 348 4.969 8.530 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.328 7.668 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 348 6.829 6.124 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.132 7.259 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 348 6.617 8.807 -13.256 1.00 0.00 H new ATOM 557 N CYS A 349 3.862 5.482 -11.881 1.00 0.00 N ATOM 558 CA CYS A 349 2.914 4.681 -12.719 1.00 0.00 C ATOM 559 C CYS A 349 1.665 4.324 -11.910 1.00 0.00 C ATOM 560 O CYS A 349 1.744 3.914 -10.773 1.00 0.00 O ATOM 561 CB CYS A 349 3.593 3.388 -13.175 1.00 0.00 C ATOM 562 SG CYS A 349 5.254 3.756 -13.784 1.00 0.00 S ATOM 0 H CYS A 349 4.194 5.016 -11.037 1.00 0.00 H new ATOM 0 HA CYS A 349 2.628 5.277 -13.586 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.647 2.682 -12.346 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.004 2.914 -13.960 1.00 0.00 H new ATOM 567 N ASP A 350 0.510 4.462 -12.499 1.00 0.00 N ATOM 568 CA ASP A 350 -0.741 4.117 -11.769 1.00 0.00 C ATOM 569 C ASP A 350 -0.880 2.597 -11.713 1.00 0.00 C ATOM 570 O ASP A 350 -1.959 2.062 -11.551 1.00 0.00 O ATOM 571 CB ASP A 350 -1.946 4.719 -12.494 1.00 0.00 C ATOM 572 CG ASP A 350 -1.879 6.245 -12.415 1.00 0.00 C ATOM 573 OD1 ASP A 350 -1.083 6.744 -11.637 1.00 0.00 O ATOM 574 OD2 ASP A 350 -2.626 6.889 -13.134 1.00 0.00 O ATOM 0 H ASP A 350 0.379 4.798 -13.453 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.699 4.520 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.955 4.398 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.871 4.361 -12.043 1.00 0.00 H new ATOM 579 N MET A 351 0.213 1.902 -11.850 1.00 0.00 N ATOM 580 CA MET A 351 0.168 0.414 -11.810 1.00 0.00 C ATOM 581 C MET A 351 0.443 -0.070 -10.386 1.00 0.00 C ATOM 582 O MET A 351 1.260 0.490 -9.672 1.00 0.00 O ATOM 583 CB MET A 351 1.234 -0.153 -12.750 1.00 0.00 C ATOM 584 CG MET A 351 0.883 0.196 -14.196 1.00 0.00 C ATOM 585 SD MET A 351 2.055 -0.617 -15.311 1.00 0.00 S ATOM 586 CE MET A 351 1.504 -2.318 -15.024 1.00 0.00 C ATOM 0 H MET A 351 1.141 2.302 -11.989 1.00 0.00 H new ATOM 0 HA MET A 351 -0.818 0.074 -12.126 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.212 0.255 -12.494 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.299 -1.235 -12.632 1.00 0.00 H new ATOM 0 HG2 MET A 351 -0.134 -0.124 -14.423 1.00 0.00 H new ATOM 0 HG3 MET A 351 0.916 1.276 -14.340 1.00 0.00 H new ATOM 0 HE1 MET A 351 1.689 -2.916 -15.917 1.00 0.00 H new ATOM 0 HE2 MET A 351 2.054 -2.742 -14.183 1.00 0.00 H new ATOM 0 HE3 MET A 351 0.437 -2.322 -14.799 1.00 0.00 H new ATOM 596 N ALA A 352 -0.233 -1.109 -9.966 1.00 0.00 N ATOM 597 CA ALA A 352 -0.008 -1.628 -8.592 1.00 0.00 C ATOM 598 C ALA A 352 0.892 -2.858 -8.647 1.00 0.00 C ATOM 599 O ALA A 352 1.369 -3.240 -9.697 1.00 0.00 O ATOM 600 CB ALA A 352 -1.350 -2.004 -7.961 1.00 0.00 C ATOM 0 H ALA A 352 -0.927 -1.616 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 352 0.473 -0.857 -7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -1.184 -2.385 -6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -1.990 -1.123 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.833 -2.773 -8.564 1.00 0.00 H new ATOM 606 N PHE A 353 1.127 -3.479 -7.522 1.00 0.00 N ATOM 607 CA PHE A 353 1.998 -4.686 -7.507 1.00 0.00 C ATOM 608 C PHE A 353 1.191 -5.920 -7.101 1.00 0.00 C ATOM 609 O PHE A 353 0.534 -5.945 -6.079 1.00 0.00 O ATOM 610 CB PHE A 353 3.145 -4.472 -6.520 1.00 0.00 C ATOM 611 CG PHE A 353 4.043 -3.373 -7.035 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.056 -3.672 -7.951 1.00 0.00 C ATOM 613 CD2 PHE A 353 3.861 -2.056 -6.600 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.890 -2.656 -8.431 1.00 0.00 C ATOM 615 CE2 PHE A 353 4.692 -1.038 -7.080 1.00 0.00 C ATOM 616 CZ PHE A 353 5.708 -1.338 -7.995 1.00 0.00 C ATOM 0 H PHE A 353 0.753 -3.202 -6.614 1.00 0.00 H new ATOM 0 HA PHE A 353 2.400 -4.846 -8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 353 2.752 -4.207 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 353 3.712 -5.395 -6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 353 5.195 -4.688 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 353 3.078 -1.825 -5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 353 6.673 -2.888 -9.137 1.00 0.00 H new ATOM 0 HE2 PHE A 353 4.550 -0.021 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.351 -0.553 -8.365 1.00 0.00 H new ATOM 626 N HIS A 354 1.254 -6.951 -7.897 1.00 0.00 N ATOM 627 CA HIS A 354 0.519 -8.208 -7.581 1.00 0.00 C ATOM 628 C HIS A 354 1.173 -8.895 -6.384 1.00 0.00 C ATOM 629 O HIS A 354 0.980 -10.072 -6.154 1.00 0.00 O ATOM 630 CB HIS A 354 0.564 -9.144 -8.786 1.00 0.00 C ATOM 631 CG HIS A 354 -0.772 -9.171 -9.487 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.127 -10.209 -10.335 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.852 -8.314 -9.475 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.367 -9.958 -10.790 1.00 0.00 C ATOM 635 NE2 HIS A 354 -2.856 -8.819 -10.296 1.00 0.00 N ATOM 0 H HIS A 354 1.790 -6.976 -8.764 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.518 -7.969 -7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.338 -8.816 -9.480 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.831 -10.150 -8.462 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.910 -7.393 -8.915 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -2.903 -10.601 -11.473 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -3.770 -8.406 -10.481 1.00 0.00 H new ATOM 643 N ILE A 355 1.959 -8.176 -5.633 1.00 0.00 N ATOM 644 CA ILE A 355 2.641 -8.799 -4.463 1.00 0.00 C ATOM 645 C ILE A 355 1.653 -9.710 -3.735 1.00 0.00 C ATOM 646 O ILE A 355 2.020 -10.734 -3.194 1.00 0.00 O ATOM 647 CB ILE A 355 3.108 -7.699 -3.506 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.012 -8.306 -2.430 1.00 0.00 C ATOM 649 CG2 ILE A 355 1.892 -7.051 -2.841 1.00 0.00 C ATOM 650 CD1 ILE A 355 4.592 -7.189 -1.563 1.00 0.00 C ATOM 0 H ILE A 355 2.159 -7.186 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 355 3.499 -9.379 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 355 3.663 -6.945 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.444 -9.002 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 355 4.817 -8.875 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.224 -6.268 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.247 -6.617 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.337 -7.806 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.236 -7.620 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.174 -6.510 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.780 -6.639 -1.087 1.00 0.00 H new ATOM 662 N TYR A 356 0.400 -9.357 -3.733 1.00 0.00 N ATOM 663 CA TYR A 356 -0.611 -10.214 -3.059 1.00 0.00 C ATOM 664 C TYR A 356 -1.017 -11.364 -3.986 1.00 0.00 C ATOM 665 O TYR A 356 -1.085 -12.509 -3.583 1.00 0.00 O ATOM 666 CB TYR A 356 -1.844 -9.379 -2.721 1.00 0.00 C ATOM 667 CG TYR A 356 -2.887 -10.267 -2.089 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.843 -10.535 -0.716 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.897 -10.826 -2.881 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.811 -11.362 -0.135 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.864 -11.653 -2.299 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.822 -11.921 -0.926 1.00 0.00 C ATOM 673 OH TYR A 356 -5.776 -12.737 -0.352 1.00 0.00 O ATOM 0 H TYR A 356 0.032 -8.512 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.182 -10.621 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.575 -8.572 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -2.242 -8.915 -3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -2.063 -10.104 -0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.930 -10.619 -3.940 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.778 -11.569 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.643 -12.085 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.404 -13.040 -1.040 1.00 0.00 H new ATOM 683 N CYS A 357 -1.304 -11.060 -5.221 1.00 0.00 N ATOM 684 CA CYS A 357 -1.727 -12.117 -6.182 1.00 0.00 C ATOM 685 C CYS A 357 -0.542 -13.015 -6.552 1.00 0.00 C ATOM 686 O CYS A 357 -0.609 -14.223 -6.437 1.00 0.00 O ATOM 687 CB CYS A 357 -2.276 -11.443 -7.440 1.00 0.00 C ATOM 688 SG CYS A 357 -3.150 -9.929 -6.963 1.00 0.00 S ATOM 0 H CYS A 357 -1.263 -10.117 -5.609 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.495 -12.738 -5.721 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.463 -11.208 -8.127 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.952 -12.118 -7.965 1.00 0.00 H new ATOM 693 N LEU A 358 0.537 -12.438 -6.998 1.00 0.00 N ATOM 694 CA LEU A 358 1.722 -13.261 -7.380 1.00 0.00 C ATOM 695 C LEU A 358 2.325 -13.906 -6.130 1.00 0.00 C ATOM 696 O LEU A 358 2.819 -15.016 -6.167 1.00 0.00 O ATOM 697 CB LEU A 358 2.766 -12.369 -8.058 1.00 0.00 C ATOM 698 CG LEU A 358 3.885 -13.234 -8.655 1.00 0.00 C ATOM 699 CD1 LEU A 358 4.639 -12.424 -9.712 1.00 0.00 C ATOM 700 CD2 LEU A 358 4.870 -13.680 -7.563 1.00 0.00 C ATOM 0 H LEU A 358 0.652 -11.431 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 358 1.412 -14.044 -8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.296 -11.776 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.183 -11.668 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 358 3.438 -14.120 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 358 5.435 -13.034 -10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 358 3.949 -12.124 -10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 358 5.071 -11.536 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 358 5.655 -14.292 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 358 5.316 -12.802 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 358 4.339 -14.263 -6.810 1.00 0.00 H new ATOM 712 N ASP A 359 2.290 -13.217 -5.028 1.00 0.00 N ATOM 713 CA ASP A 359 2.864 -13.778 -3.772 1.00 0.00 C ATOM 714 C ASP A 359 4.366 -14.028 -3.949 1.00 0.00 C ATOM 715 O ASP A 359 4.835 -15.141 -3.821 1.00 0.00 O ATOM 716 CB ASP A 359 2.164 -15.098 -3.439 1.00 0.00 C ATOM 717 CG ASP A 359 2.250 -15.356 -1.934 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.600 -14.639 -1.191 1.00 0.00 O ATOM 719 OD2 ASP A 359 2.965 -16.267 -1.549 1.00 0.00 O ATOM 0 H ASP A 359 1.887 -12.284 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 359 2.713 -13.066 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.121 -15.058 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.630 -15.917 -3.986 1.00 0.00 H new ATOM 724 N PRO A 360 5.115 -12.992 -4.229 1.00 0.00 N ATOM 725 CA PRO A 360 6.589 -13.082 -4.414 1.00 0.00 C ATOM 726 C PRO A 360 7.328 -13.052 -3.074 1.00 0.00 C ATOM 727 O PRO A 360 6.768 -12.676 -2.063 1.00 0.00 O ATOM 728 CB PRO A 360 6.913 -11.830 -5.227 1.00 0.00 C ATOM 729 CG PRO A 360 5.884 -10.828 -4.825 1.00 0.00 C ATOM 730 CD PRO A 360 4.635 -11.611 -4.405 1.00 0.00 C ATOM 0 HA PRO A 360 6.894 -14.011 -4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.919 -11.470 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.869 -12.033 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.247 -10.211 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.657 -10.155 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.210 -11.217 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.856 -11.554 -5.165 1.00 0.00 H new ATOM 738 N PRO A 361 8.577 -13.433 -3.061 1.00 0.00 N ATOM 739 CA PRO A 361 9.395 -13.433 -1.823 1.00 0.00 C ATOM 740 C PRO A 361 9.173 -12.157 -1.006 1.00 0.00 C ATOM 741 O PRO A 361 9.484 -12.094 0.167 1.00 0.00 O ATOM 742 CB PRO A 361 10.847 -13.510 -2.324 1.00 0.00 C ATOM 743 CG PRO A 361 10.788 -13.576 -3.823 1.00 0.00 C ATOM 744 CD PRO A 361 9.348 -13.908 -4.209 1.00 0.00 C ATOM 0 HA PRO A 361 9.133 -14.259 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.415 -12.639 -1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.350 -14.388 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.094 -12.626 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 361 11.472 -14.336 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.051 -13.405 -5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 361 9.211 -14.977 -4.372 1.00 0.00 H new ATOM 752 N LEU A 362 8.622 -11.143 -1.620 1.00 0.00 N ATOM 753 CA LEU A 362 8.362 -9.874 -0.886 1.00 0.00 C ATOM 754 C LEU A 362 6.934 -9.902 -0.332 1.00 0.00 C ATOM 755 O LEU A 362 6.008 -10.309 -1.006 1.00 0.00 O ATOM 756 CB LEU A 362 8.507 -8.688 -1.843 1.00 0.00 C ATOM 757 CG LEU A 362 9.882 -8.729 -2.511 1.00 0.00 C ATOM 758 CD1 LEU A 362 10.049 -7.502 -3.411 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.971 -8.722 -1.437 1.00 0.00 C ATOM 0 H LEU A 362 8.341 -11.141 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 362 9.077 -9.771 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.723 -8.721 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.385 -7.752 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 362 9.967 -9.635 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 362 11.029 -7.531 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 362 9.273 -7.504 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.964 -6.596 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.951 -8.751 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 362 10.885 -7.816 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 362 10.854 -9.594 -0.794 1.00 0.00 H new ATOM 771 N SER A 363 6.746 -9.477 0.887 1.00 0.00 N ATOM 772 CA SER A 363 5.374 -9.486 1.471 1.00 0.00 C ATOM 773 C SER A 363 5.206 -8.290 2.410 1.00 0.00 C ATOM 774 O SER A 363 4.518 -8.366 3.408 1.00 0.00 O ATOM 775 CB SER A 363 5.162 -10.781 2.254 1.00 0.00 C ATOM 776 OG SER A 363 4.759 -11.810 1.359 1.00 0.00 O ATOM 0 H SER A 363 7.479 -9.125 1.502 1.00 0.00 H new ATOM 0 HA SER A 363 4.640 -9.421 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 363 6.082 -11.066 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 363 4.404 -10.635 3.023 1.00 0.00 H new ATOM 0 HG SER A 363 4.974 -11.547 0.440 1.00 0.00 H new ATOM 782 N SER A 364 5.831 -7.186 2.102 1.00 0.00 N ATOM 783 CA SER A 364 5.705 -5.992 2.981 1.00 0.00 C ATOM 784 C SER A 364 5.563 -4.732 2.125 1.00 0.00 C ATOM 785 O SER A 364 6.135 -4.627 1.058 1.00 0.00 O ATOM 786 CB SER A 364 6.953 -5.874 3.857 1.00 0.00 C ATOM 787 OG SER A 364 6.780 -4.805 4.780 1.00 0.00 O ATOM 0 H SER A 364 6.422 -7.061 1.280 1.00 0.00 H new ATOM 0 HA SER A 364 4.823 -6.099 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 364 7.125 -6.808 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 364 7.831 -5.696 3.237 1.00 0.00 H new ATOM 0 HG SER A 364 7.578 -4.728 5.344 1.00 0.00 H new ATOM 793 N VAL A 365 4.808 -3.773 2.587 1.00 0.00 N ATOM 794 CA VAL A 365 4.634 -2.519 1.803 1.00 0.00 C ATOM 795 C VAL A 365 5.801 -1.566 2.118 1.00 0.00 C ATOM 796 O VAL A 365 5.941 -1.118 3.239 1.00 0.00 O ATOM 797 CB VAL A 365 3.317 -1.853 2.205 1.00 0.00 C ATOM 798 CG1 VAL A 365 3.334 -0.386 1.774 1.00 0.00 C ATOM 799 CG2 VAL A 365 2.154 -2.571 1.517 1.00 0.00 C ATOM 0 H VAL A 365 4.304 -3.804 3.473 1.00 0.00 H new ATOM 0 HA VAL A 365 4.619 -2.747 0.737 1.00 0.00 H new ATOM 0 HB VAL A 365 3.195 -1.913 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 365 2.395 0.088 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 365 4.163 0.127 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 365 3.455 -0.326 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 365 1.214 -2.098 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 365 2.277 -2.510 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.141 -3.617 1.822 1.00 0.00 H new ATOM 809 N PRO A 366 6.639 -1.255 1.153 1.00 0.00 N ATOM 810 CA PRO A 366 7.797 -0.346 1.374 1.00 0.00 C ATOM 811 C PRO A 366 7.395 1.132 1.381 1.00 0.00 C ATOM 812 O PRO A 366 7.112 1.702 2.418 1.00 0.00 O ATOM 813 CB PRO A 366 8.714 -0.640 0.188 1.00 0.00 C ATOM 814 CG PRO A 366 7.807 -1.091 -0.909 1.00 0.00 C ATOM 815 CD PRO A 366 6.583 -1.727 -0.244 1.00 0.00 C ATOM 0 HA PRO A 366 8.261 -0.517 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 366 9.275 0.248 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 366 9.444 -1.410 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 366 7.512 -0.250 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.311 -1.809 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.659 -1.416 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.622 -2.815 -0.298 1.00 0.00 H new ATOM 823 N SER A 367 7.371 1.757 0.236 1.00 0.00 N ATOM 824 CA SER A 367 6.997 3.198 0.176 1.00 0.00 C ATOM 825 C SER A 367 7.750 3.967 1.265 1.00 0.00 C ATOM 826 O SER A 367 7.467 5.118 1.534 1.00 0.00 O ATOM 827 CB SER A 367 5.490 3.346 0.391 1.00 0.00 C ATOM 828 OG SER A 367 5.255 4.294 1.424 1.00 0.00 O ATOM 0 H SER A 367 7.595 1.330 -0.663 1.00 0.00 H new ATOM 0 HA SER A 367 7.263 3.601 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.009 3.670 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.053 2.384 0.658 1.00 0.00 H new ATOM 0 HG SER A 367 5.696 5.140 1.199 1.00 0.00 H new ATOM 834 N GLU A 368 8.710 3.341 1.891 1.00 0.00 N ATOM 835 CA GLU A 368 9.484 4.035 2.959 1.00 0.00 C ATOM 836 C GLU A 368 10.247 5.210 2.345 1.00 0.00 C ATOM 837 O GLU A 368 10.455 6.228 2.974 1.00 0.00 O ATOM 838 CB GLU A 368 10.476 3.056 3.590 1.00 0.00 C ATOM 839 CG GLU A 368 9.709 1.934 4.294 1.00 0.00 C ATOM 840 CD GLU A 368 10.699 0.993 4.982 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.887 1.141 4.749 1.00 0.00 O ATOM 842 OE2 GLU A 368 10.252 0.139 5.730 1.00 0.00 O ATOM 0 H GLU A 368 8.992 2.378 1.708 1.00 0.00 H new ATOM 0 HA GLU A 368 8.802 4.402 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 368 11.129 2.639 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 368 11.114 3.578 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 368 9.021 2.354 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 368 9.108 1.382 3.572 1.00 0.00 H new ATOM 849 N ASP A 369 10.664 5.073 1.116 1.00 0.00 N ATOM 850 CA ASP A 369 11.412 6.174 0.453 1.00 0.00 C ATOM 851 C ASP A 369 10.919 6.319 -0.987 1.00 0.00 C ATOM 852 O ASP A 369 10.079 5.568 -1.442 1.00 0.00 O ATOM 853 CB ASP A 369 12.909 5.854 0.458 1.00 0.00 C ATOM 854 CG ASP A 369 13.171 4.588 -0.362 1.00 0.00 C ATOM 855 OD1 ASP A 369 12.271 4.164 -1.067 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.268 4.063 -0.270 1.00 0.00 O ATOM 0 H ASP A 369 10.517 4.243 0.542 1.00 0.00 H new ATOM 0 HA ASP A 369 11.246 7.107 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 369 13.470 6.691 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.257 5.714 1.481 1.00 0.00 H new ATOM 861 N GLU A 370 11.429 7.277 -1.708 1.00 0.00 N ATOM 862 CA GLU A 370 10.978 7.461 -3.115 1.00 0.00 C ATOM 863 C GLU A 370 11.416 6.259 -3.954 1.00 0.00 C ATOM 864 O GLU A 370 12.476 6.260 -4.548 1.00 0.00 O ATOM 865 CB GLU A 370 11.601 8.736 -3.688 1.00 0.00 C ATOM 866 CG GLU A 370 11.110 9.948 -2.893 1.00 0.00 C ATOM 867 CD GLU A 370 9.594 10.082 -3.042 1.00 0.00 C ATOM 868 OE1 GLU A 370 9.057 9.505 -3.974 1.00 0.00 O ATOM 869 OE2 GLU A 370 8.994 10.761 -2.225 1.00 0.00 O ATOM 0 H GLU A 370 12.136 7.938 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 370 9.891 7.544 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.688 8.674 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.332 8.844 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 370 11.373 9.836 -1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.602 10.853 -3.250 1.00 0.00 H new ATOM 876 N TRP A 371 10.602 5.237 -4.013 1.00 0.00 N ATOM 877 CA TRP A 371 10.961 4.036 -4.820 1.00 0.00 C ATOM 878 C TRP A 371 9.984 3.912 -5.990 1.00 0.00 C ATOM 879 O TRP A 371 8.802 4.158 -5.851 1.00 0.00 O ATOM 880 CB TRP A 371 10.889 2.786 -3.940 1.00 0.00 C ATOM 881 CG TRP A 371 9.683 1.982 -4.298 1.00 0.00 C ATOM 882 CD1 TRP A 371 8.405 2.363 -4.081 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.617 0.669 -4.927 1.00 0.00 C ATOM 884 NE1 TRP A 371 7.559 1.370 -4.535 1.00 0.00 N ATOM 885 CE2 TRP A 371 8.258 0.304 -5.065 1.00 0.00 C ATOM 886 CE3 TRP A 371 10.594 -0.234 -5.386 1.00 0.00 C ATOM 887 CZ2 TRP A 371 7.880 -0.910 -5.636 1.00 0.00 C ATOM 888 CZ3 TRP A 371 10.217 -1.458 -5.963 1.00 0.00 C ATOM 889 CH2 TRP A 371 8.862 -1.794 -6.088 1.00 0.00 C ATOM 0 H TRP A 371 9.702 5.184 -3.535 1.00 0.00 H new ATOM 0 HA TRP A 371 11.976 4.137 -5.205 1.00 0.00 H new ATOM 0 HB2 TRP A 371 11.789 2.186 -4.071 1.00 0.00 H new ATOM 0 HB3 TRP A 371 10.847 3.072 -2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 371 8.095 3.293 -3.627 1.00 0.00 H new ATOM 0 HE1 TRP A 371 6.541 1.418 -4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 371 11.641 0.016 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 6.835 -1.165 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 10.975 -2.144 -6.312 1.00 0.00 H new ATOM 0 HH2 TRP A 371 8.578 -2.736 -6.534 1.00 0.00 H new ATOM 900 N TYR A 372 10.474 3.550 -7.145 1.00 0.00 N ATOM 901 CA TYR A 372 9.584 3.428 -8.335 1.00 0.00 C ATOM 902 C TYR A 372 9.656 2.004 -8.894 1.00 0.00 C ATOM 903 O TYR A 372 10.669 1.340 -8.800 1.00 0.00 O ATOM 904 CB TYR A 372 10.034 4.422 -9.404 1.00 0.00 C ATOM 905 CG TYR A 372 10.079 5.810 -8.812 1.00 0.00 C ATOM 906 CD1 TYR A 372 8.902 6.557 -8.685 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.300 6.351 -8.389 1.00 0.00 C ATOM 908 CE1 TYR A 372 8.945 7.844 -8.136 1.00 0.00 C ATOM 909 CE2 TYR A 372 11.342 7.637 -7.839 1.00 0.00 C ATOM 910 CZ TYR A 372 10.165 8.384 -7.712 1.00 0.00 C ATOM 911 OH TYR A 372 10.207 9.653 -7.171 1.00 0.00 O ATOM 0 H TYR A 372 11.456 3.333 -7.316 1.00 0.00 H new ATOM 0 HA TYR A 372 8.556 3.644 -8.043 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.018 4.145 -9.783 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.348 4.398 -10.250 1.00 0.00 H new ATOM 0 HD1 TYR A 372 7.960 6.140 -9.011 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.209 5.776 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 372 8.037 8.420 -8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 372 12.283 8.054 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 372 11.130 9.875 -6.928 1.00 0.00 H new ATOM 921 N CYS A 373 8.586 1.531 -9.472 1.00 0.00 N ATOM 922 CA CYS A 373 8.581 0.153 -10.033 1.00 0.00 C ATOM 923 C CYS A 373 9.906 -0.110 -10.770 1.00 0.00 C ATOM 924 O CYS A 373 10.535 0.804 -11.261 1.00 0.00 O ATOM 925 CB CYS A 373 7.404 0.023 -11.005 1.00 0.00 C ATOM 926 SG CYS A 373 7.630 1.157 -12.396 1.00 0.00 S ATOM 0 H CYS A 373 7.711 2.044 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 373 8.476 -0.577 -9.231 1.00 0.00 H new ATOM 0 HB2 CYS A 373 7.332 -1.002 -11.368 1.00 0.00 H new ATOM 0 HB3 CYS A 373 6.469 0.246 -10.490 1.00 0.00 H new ATOM 931 N PRO A 374 10.339 -1.349 -10.839 1.00 0.00 N ATOM 932 CA PRO A 374 11.618 -1.715 -11.520 1.00 0.00 C ATOM 933 C PRO A 374 11.788 -1.062 -12.899 1.00 0.00 C ATOM 934 O PRO A 374 12.866 -0.626 -13.253 1.00 0.00 O ATOM 935 CB PRO A 374 11.531 -3.233 -11.680 1.00 0.00 C ATOM 936 CG PRO A 374 10.590 -3.706 -10.623 1.00 0.00 C ATOM 937 CD PRO A 374 9.669 -2.536 -10.270 1.00 0.00 C ATOM 0 HA PRO A 374 12.472 -1.371 -10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 374 11.169 -3.500 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 374 12.512 -3.694 -11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 374 10.009 -4.557 -10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 374 11.139 -4.041 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO A 374 8.675 -2.672 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 374 9.544 -2.442 -9.191 1.00 0.00 H new ATOM 945 N GLU A 375 10.750 -0.999 -13.686 1.00 0.00 N ATOM 946 CA GLU A 375 10.889 -0.384 -15.039 1.00 0.00 C ATOM 947 C GLU A 375 11.165 1.117 -14.919 1.00 0.00 C ATOM 948 O GLU A 375 11.873 1.688 -15.724 1.00 0.00 O ATOM 949 CB GLU A 375 9.610 -0.606 -15.839 1.00 0.00 C ATOM 950 CG GLU A 375 8.440 -0.082 -15.028 1.00 0.00 C ATOM 951 CD GLU A 375 7.144 -0.242 -15.824 1.00 0.00 C ATOM 952 OE1 GLU A 375 7.224 -0.627 -16.979 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.093 0.023 -15.265 1.00 0.00 O ATOM 0 H GLU A 375 9.818 -1.343 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 375 11.727 -0.856 -15.552 1.00 0.00 H new ATOM 0 HB2 GLU A 375 9.668 -0.090 -16.798 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.477 -1.666 -16.055 1.00 0.00 H new ATOM 0 HG2 GLU A 375 8.368 -0.624 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 375 8.598 0.968 -14.781 1.00 0.00 H new ATOM 960 N CYS A 376 10.621 1.765 -13.925 1.00 0.00 N ATOM 961 CA CYS A 376 10.872 3.229 -13.776 1.00 0.00 C ATOM 962 C CYS A 376 12.376 3.468 -13.660 1.00 0.00 C ATOM 963 O CYS A 376 12.933 4.335 -14.301 1.00 0.00 O ATOM 964 CB CYS A 376 10.192 3.749 -12.507 1.00 0.00 C ATOM 965 SG CYS A 376 8.641 4.580 -12.927 1.00 0.00 S ATOM 0 H CYS A 376 10.018 1.349 -13.215 1.00 0.00 H new ATOM 0 HA CYS A 376 10.470 3.751 -14.644 1.00 0.00 H new ATOM 0 HB2 CYS A 376 9.997 2.922 -11.825 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.855 4.441 -11.988 1.00 0.00 H new ATOM 970 N ARG A 377 13.031 2.700 -12.837 1.00 0.00 N ATOM 971 CA ARG A 377 14.497 2.870 -12.656 1.00 0.00 C ATOM 972 C ARG A 377 15.219 2.516 -13.958 1.00 0.00 C ATOM 973 O ARG A 377 16.318 2.967 -14.211 1.00 0.00 O ATOM 974 CB ARG A 377 14.971 1.948 -11.533 1.00 0.00 C ATOM 975 CG ARG A 377 14.191 2.276 -10.257 1.00 0.00 C ATOM 976 CD ARG A 377 14.814 1.546 -9.066 1.00 0.00 C ATOM 977 NE ARG A 377 14.863 0.082 -9.339 1.00 0.00 N ATOM 978 CZ ARG A 377 13.890 -0.697 -8.944 1.00 0.00 C ATOM 979 NH1 ARG A 377 12.846 -0.193 -8.343 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.958 -1.982 -9.160 1.00 0.00 N ATOM 0 H ARG A 377 12.611 1.957 -12.279 1.00 0.00 H new ATOM 0 HA ARG A 377 14.720 3.905 -12.397 1.00 0.00 H new ATOM 0 HB2 ARG A 377 14.817 0.905 -11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.040 2.078 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.200 3.352 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.148 1.980 -10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.819 1.924 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 377 14.231 1.738 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 377 15.660 -0.315 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 377 12.787 0.812 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 377 12.089 -0.804 -8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 377 14.769 -2.377 -9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.200 -2.592 -8.853 1.00 0.00 H new ATOM 994 N ASN A 378 14.611 1.709 -14.785 1.00 0.00 N ATOM 995 CA ASN A 378 15.264 1.326 -16.068 1.00 0.00 C ATOM 996 C ASN A 378 16.614 0.668 -15.775 1.00 0.00 C ATOM 997 O ASN A 378 17.609 0.964 -16.405 1.00 0.00 O ATOM 998 CB ASN A 378 15.481 2.575 -16.923 1.00 0.00 C ATOM 999 CG ASN A 378 15.702 2.163 -18.380 1.00 0.00 C ATOM 1000 OD1 ASN A 378 15.337 1.076 -18.779 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.292 2.993 -19.198 1.00 0.00 N ATOM 0 H ASN A 378 13.691 1.299 -14.627 1.00 0.00 H new ATOM 0 HA ASN A 378 14.626 0.625 -16.606 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.617 3.235 -16.848 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.342 3.134 -16.557 1.00 0.00 H new ATOM 0 HD21 ASN A 378 16.446 2.728 -20.171 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.599 3.907 -18.864 1.00 0.00 H new ATOM 1008 N ASP A 379 16.654 -0.226 -14.823 1.00 0.00 N ATOM 1009 CA ASP A 379 17.939 -0.902 -14.491 1.00 0.00 C ATOM 1010 C ASP A 379 18.228 -1.988 -15.529 1.00 0.00 C ATOM 1011 O ASP A 379 17.851 -1.801 -16.674 1.00 0.00 O ATOM 1012 CB ASP A 379 17.836 -1.537 -13.103 1.00 0.00 C ATOM 1013 CG ASP A 379 17.716 -0.437 -12.046 1.00 0.00 C ATOM 1014 OD1 ASP A 379 17.959 0.710 -12.383 1.00 0.00 O ATOM 1015 OD2 ASP A 379 17.383 -0.761 -10.918 1.00 0.00 O ATOM 1016 OXT ASP A 379 18.820 -2.989 -15.162 1.00 0.00 O ATOM 0 H ASP A 379 15.853 -0.516 -14.262 1.00 0.00 H new ATOM 0 HA ASP A 379 18.747 -0.170 -14.497 1.00 0.00 H new ATOM 0 HB2 ASP A 379 16.970 -2.197 -13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.715 -2.151 -12.906 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 6.598 5.982 -0.732 1.00 0.00 N ATOM 1023 CA ALA B 383 6.197 6.480 -2.078 1.00 0.00 C ATOM 1024 C ALA B 383 4.698 6.784 -2.084 1.00 0.00 C ATOM 1025 O ALA B 383 4.078 6.917 -1.047 1.00 0.00 O ATOM 1026 CB ALA B 383 6.511 5.411 -3.129 1.00 0.00 C ATOM 0 HA ALA B 383 6.750 7.390 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.219 5.773 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.580 5.198 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA B 383 5.958 4.500 -2.898 1.00 0.00 H new ATOM 1034 N ARG B 384 4.109 6.898 -3.242 1.00 0.00 N ATOM 1035 CA ARG B 384 2.651 7.198 -3.311 1.00 0.00 C ATOM 1036 C ARG B 384 1.869 6.157 -2.508 1.00 0.00 C ATOM 1037 O ARG B 384 0.925 6.480 -1.818 1.00 0.00 O ATOM 1038 CB ARG B 384 2.195 7.173 -4.773 1.00 0.00 C ATOM 1039 CG ARG B 384 0.699 7.484 -4.847 1.00 0.00 C ATOM 1040 CD ARG B 384 0.228 7.392 -6.300 1.00 0.00 C ATOM 1041 NE ARG B 384 0.943 8.409 -7.121 1.00 0.00 N ATOM 1042 CZ ARG B 384 0.639 8.560 -8.382 1.00 0.00 C ATOM 1043 NH1 ARG B 384 -0.289 7.819 -8.922 1.00 0.00 N ATOM 1044 NH2 ARG B 384 1.264 9.451 -9.102 1.00 0.00 N ATOM 0 H ARG B 384 4.574 6.796 -4.144 1.00 0.00 H new ATOM 0 HA ARG B 384 2.465 8.186 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG B 384 2.758 7.904 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.396 6.195 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.140 6.782 -4.228 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.505 8.482 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.419 6.393 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG B 384 -0.848 7.556 -6.355 1.00 0.00 H new ATOM 0 HE ARG B 384 1.669 8.987 -6.698 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.777 7.122 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG B 384 -0.527 7.937 -9.907 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.990 10.030 -8.680 1.00 0.00 H new ATOM 0 HH22 ARG B 384 1.026 9.569 -10.087 1.00 0.00 H new ATOM 1058 N THR B 385 2.254 4.913 -2.592 1.00 0.00 N ATOM 1059 CA THR B 385 1.532 3.848 -1.832 1.00 0.00 C ATOM 1060 C THR B 385 0.019 4.081 -1.914 1.00 0.00 C ATOM 1061 O THR B 385 -0.540 4.868 -1.176 1.00 0.00 O ATOM 1062 CB THR B 385 1.970 3.882 -0.367 1.00 0.00 C ATOM 1063 OG1 THR B 385 3.039 4.805 -0.213 1.00 0.00 O ATOM 1064 CG2 THR B 385 2.430 2.488 0.062 1.00 0.00 C ATOM 0 H THR B 385 3.039 4.585 -3.155 1.00 0.00 H new ATOM 0 HA THR B 385 1.770 2.877 -2.265 1.00 0.00 H new ATOM 0 HB THR B 385 1.131 4.193 0.256 1.00 0.00 H new ATOM 0 HG1 THR B 385 3.109 5.071 0.728 1.00 0.00 H new ATOM 0 HG21 THR B 385 2.742 2.513 1.106 1.00 0.00 H new ATOM 0 HG22 THR B 385 1.608 1.782 -0.054 1.00 0.00 H new ATOM 0 HG23 THR B 385 3.268 2.174 -0.560 1.00 0.00 H new ATOM 1072 N LYS B 386 -0.654 3.388 -2.793 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.126 3.559 -2.906 1.00 0.00 C ATOM 1074 C LYS B 386 -2.753 3.222 -1.560 1.00 0.00 C ATOM 1075 O LYS B 386 -3.776 3.758 -1.183 1.00 0.00 O ATOM 1076 CB LYS B 386 -2.673 2.623 -3.988 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.177 2.868 -4.185 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.997 2.150 -3.102 1.00 0.00 C ATOM 1079 CE LYS B 386 -6.089 1.310 -3.768 1.00 0.00 C ATOM 1080 NZ LYS B 386 -5.461 0.191 -4.527 1.00 0.00 N ATOM 0 H LYS B 386 -0.245 2.711 -3.437 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.366 4.586 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -2.143 2.790 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -2.500 1.585 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -4.382 3.938 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.481 2.515 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.348 1.513 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -5.444 2.878 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -6.770 0.915 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -6.682 1.931 -4.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -5.631 0.323 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -4.437 0.180 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -5.876 -0.712 -4.221 1.00 0.00 H new ATOM 1094 N GLN B 387 -2.141 2.334 -0.830 1.00 0.00 N ATOM 1095 CA GLN B 387 -2.693 1.954 0.492 1.00 0.00 C ATOM 1096 C GLN B 387 -3.080 3.216 1.263 1.00 0.00 C ATOM 1097 O GLN B 387 -4.034 3.229 2.014 1.00 0.00 O ATOM 1098 CB GLN B 387 -1.642 1.174 1.287 1.00 0.00 C ATOM 1099 CG GLN B 387 -2.247 0.725 2.617 1.00 0.00 C ATOM 1100 CD GLN B 387 -1.208 -0.067 3.411 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -0.144 -0.371 2.908 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -1.471 -0.419 4.641 1.00 0.00 N ATOM 0 H GLN B 387 -1.280 1.855 -1.095 1.00 0.00 H new ATOM 0 HA GLN B 387 -3.574 1.328 0.348 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.306 0.308 0.716 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -0.766 1.798 1.465 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.574 1.592 3.191 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -3.129 0.110 2.438 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -2.363 -0.165 5.065 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -0.784 -0.948 5.178 1.00 0.00 H new ATOM 1111 N THR B 388 -2.345 4.279 1.085 1.00 0.00 N ATOM 1112 CA THR B 388 -2.673 5.538 1.809 1.00 0.00 C ATOM 1113 C THR B 388 -4.101 5.962 1.463 1.00 0.00 C ATOM 1114 O THR B 388 -4.820 6.490 2.288 1.00 0.00 O ATOM 1115 CB THR B 388 -1.696 6.638 1.384 1.00 0.00 C ATOM 1116 OG1 THR B 388 -1.938 6.982 0.027 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.259 6.137 1.536 1.00 0.00 C ATOM 0 H THR B 388 -1.533 4.330 0.470 1.00 0.00 H new ATOM 0 HA THR B 388 -2.591 5.375 2.884 1.00 0.00 H new ATOM 0 HB THR B 388 -1.839 7.515 2.015 1.00 0.00 H new ATOM 0 HG1 THR B 388 -1.505 6.327 -0.559 1.00 0.00 H new ATOM 0 HG21 THR B 388 0.434 6.922 1.233 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.074 5.872 2.577 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.111 5.259 0.907 1.00 0.00 H new ATOM 1125 N ALA B 389 -4.520 5.731 0.248 1.00 0.00 N ATOM 1126 CA ALA B 389 -5.904 6.115 -0.148 1.00 0.00 C ATOM 1127 C ALA B 389 -6.908 5.242 0.610 1.00 0.00 C ATOM 1128 O ALA B 389 -6.647 4.087 0.888 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.081 5.906 -1.654 1.00 0.00 C ATOM 0 H ALA B 389 -3.964 5.293 -0.486 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.075 7.164 0.095 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.094 6.187 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -5.364 6.525 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -5.911 4.857 -1.898 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.048 5.783 0.948 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.066 4.985 1.691 1.00 0.00 C ATOM 1137 C ARG B 390 -10.390 4.994 0.923 1.00 0.00 C ATOM 1138 O ARG B 390 -10.777 5.989 0.343 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.278 5.601 3.077 1.00 0.00 C ATOM 1140 CG ARG B 390 -7.984 5.499 3.885 1.00 0.00 C ATOM 1141 CD ARG B 390 -8.224 6.020 5.303 1.00 0.00 C ATOM 1142 NE ARG B 390 -6.923 6.120 6.023 1.00 0.00 N ATOM 1143 CZ ARG B 390 -6.792 6.946 7.024 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -7.801 7.685 7.396 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -5.652 7.033 7.654 1.00 0.00 N ATOM 0 H ARG B 390 -8.318 6.745 0.741 1.00 0.00 H new ATOM 0 HA ARG B 390 -8.716 3.958 1.794 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -9.578 6.645 2.981 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -10.085 5.084 3.596 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -7.645 4.464 3.919 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -7.195 6.077 3.403 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -8.707 6.996 5.266 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.898 5.351 5.838 1.00 0.00 H new ATOM 0 HE ARG B 390 -6.134 5.542 5.733 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -8.692 7.617 6.904 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -7.699 8.331 8.179 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -4.863 6.455 7.364 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -5.550 7.679 8.437 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.089 3.891 0.919 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.390 3.832 0.194 1.00 0.00 C ATOM 1161 C LYS B 391 -13.327 2.864 0.922 1.00 0.00 C ATOM 1162 O LYS B 391 -13.514 2.950 2.119 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.161 3.344 -1.241 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.276 4.345 -1.986 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.152 3.924 -3.452 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.174 4.856 -4.169 1.00 0.00 C ATOM 1167 NZ LYS B 391 -8.855 4.819 -3.477 1.00 0.00 N ATOM 0 H LYS B 391 -10.814 3.027 1.387 1.00 0.00 H new ATOM 0 HA LYS B 391 -12.838 4.825 0.166 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -11.688 2.362 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.116 3.233 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.704 5.345 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.290 4.389 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -10.803 2.893 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.128 3.961 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -10.060 4.550 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -10.564 5.874 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.110 5.129 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -8.877 5.454 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -8.656 3.849 -3.160 1.00 0.00 H new ATOM 1181 N SER B 392 -13.917 1.942 0.211 1.00 0.00 N ATOM 1182 CA SER B 392 -14.837 0.970 0.868 1.00 0.00 C ATOM 1183 C SER B 392 -14.076 0.242 1.973 1.00 0.00 C ATOM 1184 O SER B 392 -14.586 0.022 3.053 1.00 0.00 O ATOM 1185 CB SER B 392 -15.339 -0.044 -0.159 1.00 0.00 C ATOM 1186 OG SER B 392 -16.342 -0.858 0.436 1.00 0.00 O ATOM 0 H SER B 392 -13.802 1.820 -0.795 1.00 0.00 H new ATOM 0 HA SER B 392 -15.691 1.500 1.290 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.743 0.473 -1.030 1.00 0.00 H new ATOM 0 HB3 SER B 392 -14.513 -0.663 -0.510 1.00 0.00 H new ATOM 0 HG SER B 392 -17.181 -0.758 -0.060 1.00 0.00 H new ATOM 1192 N THR B 393 -12.847 -0.113 1.718 1.00 0.00 N ATOM 1193 CA THR B 393 -12.045 -0.804 2.761 1.00 0.00 C ATOM 1194 C THR B 393 -11.716 0.212 3.851 1.00 0.00 C ATOM 1195 O THR B 393 -11.342 -0.134 4.954 1.00 0.00 O ATOM 1196 CB THR B 393 -10.748 -1.337 2.147 1.00 0.00 C ATOM 1197 OG1 THR B 393 -9.943 -0.245 1.725 1.00 0.00 O ATOM 1198 CG2 THR B 393 -11.077 -2.225 0.945 1.00 0.00 C ATOM 0 H THR B 393 -12.366 0.046 0.833 1.00 0.00 H new ATOM 0 HA THR B 393 -12.605 -1.642 3.177 1.00 0.00 H new ATOM 0 HB THR B 393 -10.207 -1.922 2.891 1.00 0.00 H new ATOM 0 HG1 THR B 393 -9.399 -0.517 0.957 1.00 0.00 H new ATOM 0 HG21 THR B 393 -10.153 -2.604 0.509 1.00 0.00 H new ATOM 0 HG22 THR B 393 -11.695 -3.062 1.269 1.00 0.00 H new ATOM 0 HG23 THR B 393 -11.618 -1.642 0.199 1.00 0.00 H new ATOM 1206 N GLY B 394 -11.863 1.470 3.540 1.00 0.00 N ATOM 1207 CA GLY B 394 -11.571 2.533 4.536 1.00 0.00 C ATOM 1208 C GLY B 394 -10.151 2.356 5.078 1.00 0.00 C ATOM 1209 O GLY B 394 -9.948 2.622 6.251 1.00 0.00 O ATOM 1210 OXT GLY B 394 -9.291 1.956 4.310 1.00 0.00 O ATOM 0 H GLY B 394 -12.176 1.808 2.630 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -11.675 3.515 4.075 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -12.291 2.487 5.353 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -9.679 3.915 -10.567 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -4.100 -8.798 -8.728 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 6.863 3.320 -12.199 1.00 0.00 ZN