USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 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 NoAdj-H: A 354 HIS HE2 : A 354 HIS NE2 : A 381 ZNZN :(H bumps) USER MOD Set 1.1: A 314 SER OG : rot -100:sc= 0 USER MOD Set 1.2: A 345 MET CE :methyl 170:sc= -1.09 (180deg=-1.17) USER MOD Single : A 311 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 HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 332 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 338 GLN : amide:sc= -0.706 K(o=-0.71,f=-0.15) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 343 GLN : amide:sc= 1.42 K(o=1.4,f=-1.7!) USER MOD Single : A 351 MET CE :methyl -158:sc= -0.301 (180deg=-1.64!) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= -0.645 USER MOD Single : A 372 TYR OH : rot 180:sc= -0.797 USER MOD Single : A 378 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : B 385 THR OG1 : rot 180:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ 166:sc= -22.3! (180deg=-23.3!) USER MOD Single : B 387 GLN : amide:sc= -2.93! C(o=-2.9!,f=-10!) USER MOD Single : B 388 THR OG1 : rot -92:sc= 1.18 USER MOD Single : B 391 LYS NZ :NH3+ -169:sc= -6.07! (180deg=-6.8!) USER MOD Single : B 392 SER OG : rot 77:sc=-0.00751 USER MOD Single : B 393 THR OG1 : rot -156:sc= -0.796 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 311 -9.251 14.868 -5.824 1.00 0.00 N ATOM 2 CA SER A 311 -9.098 14.576 -7.277 1.00 0.00 C ATOM 3 C SER A 311 -7.656 14.858 -7.705 1.00 0.00 C ATOM 4 O SER A 311 -7.390 15.776 -8.455 1.00 0.00 O ATOM 5 CB SER A 311 -10.051 15.462 -8.079 1.00 0.00 C ATOM 6 OG SER A 311 -11.341 14.863 -8.103 1.00 0.00 O ATOM 0 HA SER A 311 -9.334 13.528 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 311 -10.106 16.454 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 311 -9.678 15.591 -9.095 1.00 0.00 H new ATOM 0 HG SER A 311 -11.955 15.429 -8.615 1.00 0.00 H new ATOM 14 N GLY A 312 -6.724 14.075 -7.235 1.00 0.00 N ATOM 15 CA GLY A 312 -5.301 14.298 -7.616 1.00 0.00 C ATOM 16 C GLY A 312 -5.129 14.054 -9.117 1.00 0.00 C ATOM 17 O GLY A 312 -5.932 13.388 -9.740 1.00 0.00 O ATOM 0 H GLY A 312 -6.887 13.291 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 312 -5.002 15.316 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 312 -4.653 13.628 -7.051 1.00 0.00 H new ATOM 21 N PRO A 313 -4.087 14.593 -9.689 1.00 0.00 N ATOM 22 CA PRO A 313 -3.791 14.442 -11.145 1.00 0.00 C ATOM 23 C PRO A 313 -3.462 12.994 -11.509 1.00 0.00 C ATOM 24 O PRO A 313 -3.578 12.585 -12.647 1.00 0.00 O ATOM 25 CB PRO A 313 -2.567 15.334 -11.363 1.00 0.00 C ATOM 26 CG PRO A 313 -1.923 15.434 -10.024 1.00 0.00 C ATOM 27 CD PRO A 313 -3.065 15.402 -9.010 1.00 0.00 C ATOM 0 HA PRO A 313 -4.644 14.717 -11.766 1.00 0.00 H new ATOM 0 HB2 PRO A 313 -1.888 14.900 -12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 313 -2.855 16.316 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 313 -1.231 14.608 -9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 313 -1.347 16.355 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 313 -2.755 14.952 -8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 313 -3.429 16.403 -8.781 1.00 0.00 H new ATOM 35 N SER A 314 -3.046 12.218 -10.546 1.00 0.00 N ATOM 36 CA SER A 314 -2.704 10.799 -10.833 1.00 0.00 C ATOM 37 C SER A 314 -3.948 10.071 -11.334 1.00 0.00 C ATOM 38 O SER A 314 -5.037 10.258 -10.830 1.00 0.00 O ATOM 39 CB SER A 314 -2.199 10.128 -9.556 1.00 0.00 C ATOM 40 OG SER A 314 -1.764 8.808 -9.860 1.00 0.00 O ATOM 0 H SER A 314 -2.929 12.506 -9.575 1.00 0.00 H new ATOM 0 HA SER A 314 -1.926 10.758 -11.595 1.00 0.00 H new ATOM 0 HB2 SER A 314 -1.379 10.704 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 314 -2.992 10.099 -8.808 1.00 0.00 H new ATOM 0 HG SER A 314 -2.462 8.168 -9.608 1.00 0.00 H new ATOM 46 N CYS A 315 -3.794 9.243 -12.327 1.00 0.00 N ATOM 47 CA CYS A 315 -4.967 8.502 -12.868 1.00 0.00 C ATOM 48 C CYS A 315 -6.096 9.496 -13.171 1.00 0.00 C ATOM 49 O CYS A 315 -7.217 9.344 -12.727 1.00 0.00 O ATOM 50 CB CYS A 315 -5.432 7.465 -11.835 1.00 0.00 C ATOM 51 SG CYS A 315 -5.708 5.875 -12.656 1.00 0.00 S ATOM 0 H CYS A 315 -2.906 9.046 -12.789 1.00 0.00 H new ATOM 0 HA CYS A 315 -4.692 7.986 -13.788 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -4.683 7.356 -11.051 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -6.350 7.802 -11.354 1.00 0.00 H new ATOM 56 N LYS A 316 -5.806 10.519 -13.931 1.00 0.00 N ATOM 57 CA LYS A 316 -6.858 11.521 -14.262 1.00 0.00 C ATOM 58 C LYS A 316 -8.052 10.812 -14.901 1.00 0.00 C ATOM 59 O LYS A 316 -9.188 11.208 -14.731 1.00 0.00 O ATOM 60 CB LYS A 316 -6.288 12.557 -15.230 1.00 0.00 C ATOM 61 CG LYS A 316 -6.023 11.891 -16.574 1.00 0.00 C ATOM 62 CD LYS A 316 -5.293 12.869 -17.498 1.00 0.00 C ATOM 63 CE LYS A 316 -5.308 12.327 -18.928 1.00 0.00 C ATOM 64 NZ LYS A 316 -6.542 12.792 -19.623 1.00 0.00 N ATOM 0 H LYS A 316 -4.888 10.703 -14.335 1.00 0.00 H new ATOM 0 HA LYS A 316 -7.185 12.024 -13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -6.988 13.383 -15.351 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -5.365 12.977 -14.830 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -5.423 10.992 -16.433 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -6.964 11.579 -17.028 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -5.774 13.847 -17.463 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -4.266 13.007 -17.161 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -4.424 12.668 -19.467 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -5.273 11.238 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -6.552 12.424 -20.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -7.379 12.446 -19.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -6.556 13.832 -19.647 1.00 0.00 H new ATOM 78 N HIS A 317 -7.805 9.754 -15.623 1.00 0.00 N ATOM 79 CA HIS A 317 -8.924 9.009 -16.257 1.00 0.00 C ATOM 80 C HIS A 317 -9.838 8.496 -15.151 1.00 0.00 C ATOM 81 O HIS A 317 -11.047 8.497 -15.274 1.00 0.00 O ATOM 82 CB HIS A 317 -8.370 7.828 -17.058 1.00 0.00 C ATOM 83 CG HIS A 317 -9.497 7.132 -17.770 1.00 0.00 C ATOM 84 ND1 HIS A 317 -10.130 6.015 -17.241 1.00 0.00 N ATOM 85 CD2 HIS A 317 -10.119 7.383 -18.969 1.00 0.00 C ATOM 86 CE1 HIS A 317 -11.084 5.639 -18.112 1.00 0.00 C ATOM 87 NE2 HIS A 317 -11.117 6.440 -19.179 1.00 0.00 N ATOM 0 H HIS A 317 -6.875 9.374 -15.800 1.00 0.00 H new ATOM 0 HA HIS A 317 -9.477 9.661 -16.933 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -7.632 8.178 -17.779 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -7.860 7.131 -16.393 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -9.870 8.189 -19.644 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -11.741 4.794 -17.966 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -11.744 6.374 -19.981 1.00 0.00 H new ATOM 96 N CYS A 318 -9.257 8.072 -14.062 1.00 0.00 N ATOM 97 CA CYS A 318 -10.064 7.569 -12.925 1.00 0.00 C ATOM 98 C CYS A 318 -9.679 8.347 -11.663 1.00 0.00 C ATOM 99 O CYS A 318 -8.567 8.283 -11.184 1.00 0.00 O ATOM 100 CB CYS A 318 -9.810 6.070 -12.739 1.00 0.00 C ATOM 101 SG CYS A 318 -9.100 5.745 -11.104 1.00 0.00 S ATOM 0 H CYS A 318 -8.248 8.054 -13.914 1.00 0.00 H new ATOM 0 HA CYS A 318 -11.126 7.714 -13.122 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -10.744 5.520 -12.852 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -9.133 5.711 -13.514 1.00 0.00 H new ATOM 106 N LYS A 319 -10.601 9.098 -11.143 1.00 0.00 N ATOM 107 CA LYS A 319 -10.328 9.909 -9.926 1.00 0.00 C ATOM 108 C LYS A 319 -10.379 9.007 -8.695 1.00 0.00 C ATOM 109 O LYS A 319 -10.306 9.469 -7.574 1.00 0.00 O ATOM 110 CB LYS A 319 -11.396 10.992 -9.804 1.00 0.00 C ATOM 111 CG LYS A 319 -11.534 11.727 -11.139 1.00 0.00 C ATOM 112 CD LYS A 319 -10.238 12.476 -11.462 1.00 0.00 C ATOM 113 CE LYS A 319 -10.484 13.442 -12.622 1.00 0.00 C ATOM 114 NZ LYS A 319 -10.643 14.826 -12.093 1.00 0.00 N ATOM 0 H LYS A 319 -11.547 9.187 -11.513 1.00 0.00 H new ATOM 0 HA LYS A 319 -9.342 10.367 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -12.350 10.546 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -11.127 11.695 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -11.760 11.016 -11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -12.367 12.428 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -9.894 13.024 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -9.452 11.768 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -9.651 13.403 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -11.378 13.147 -13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -10.810 15.482 -12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -11.452 14.857 -11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -9.778 15.106 -11.587 1.00 0.00 H new ATOM 128 N ASP A 320 -10.524 7.726 -8.899 1.00 0.00 N ATOM 129 CA ASP A 320 -10.597 6.781 -7.750 1.00 0.00 C ATOM 130 C ASP A 320 -11.780 7.154 -6.854 1.00 0.00 C ATOM 131 O ASP A 320 -11.653 7.252 -5.649 1.00 0.00 O ATOM 132 CB ASP A 320 -9.297 6.830 -6.937 1.00 0.00 C ATOM 133 CG ASP A 320 -8.128 6.354 -7.800 1.00 0.00 C ATOM 134 OD1 ASP A 320 -8.341 5.470 -8.612 1.00 0.00 O ATOM 135 OD2 ASP A 320 -7.041 6.882 -7.634 1.00 0.00 O ATOM 0 H ASP A 320 -10.595 7.291 -9.819 1.00 0.00 H new ATOM 0 HA ASP A 320 -10.734 5.770 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -9.113 7.846 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -9.387 6.201 -6.052 1.00 0.00 H new ATOM 140 N ASP A 321 -12.931 7.361 -7.434 1.00 0.00 N ATOM 141 CA ASP A 321 -14.124 7.726 -6.619 1.00 0.00 C ATOM 142 C ASP A 321 -14.458 6.581 -5.661 1.00 0.00 C ATOM 143 O ASP A 321 -14.015 5.463 -5.832 1.00 0.00 O ATOM 144 CB ASP A 321 -15.319 7.990 -7.537 1.00 0.00 C ATOM 145 CG ASP A 321 -16.445 8.645 -6.736 1.00 0.00 C ATOM 146 OD1 ASP A 321 -16.219 8.953 -5.577 1.00 0.00 O ATOM 147 OD2 ASP A 321 -17.514 8.827 -7.294 1.00 0.00 O ATOM 0 H ASP A 321 -13.096 7.293 -8.438 1.00 0.00 H new ATOM 0 HA ASP A 321 -13.906 8.628 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -15.021 8.638 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -15.667 7.055 -7.976 1.00 0.00 H new ATOM 152 N VAL A 322 -15.229 6.858 -4.646 1.00 0.00 N ATOM 153 CA VAL A 322 -15.588 5.797 -3.662 1.00 0.00 C ATOM 154 C VAL A 322 -16.228 4.602 -4.376 1.00 0.00 C ATOM 155 O VAL A 322 -15.969 3.464 -4.039 1.00 0.00 O ATOM 156 CB VAL A 322 -16.578 6.369 -2.646 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.146 5.239 -1.788 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.857 7.377 -1.747 1.00 0.00 C ATOM 0 H VAL A 322 -15.628 7.777 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 322 -14.683 5.461 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.392 6.865 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.851 5.650 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.659 4.520 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.334 4.740 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -16.561 7.786 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -15.043 6.878 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.454 8.185 -2.357 1.00 0.00 H new ATOM 168 N ASN A 323 -17.067 4.848 -5.346 1.00 0.00 N ATOM 169 CA ASN A 323 -17.732 3.723 -6.063 1.00 0.00 C ATOM 170 C ASN A 323 -17.237 3.643 -7.512 1.00 0.00 C ATOM 171 O ASN A 323 -18.014 3.712 -8.442 1.00 0.00 O ATOM 172 CB ASN A 323 -19.243 3.950 -6.058 1.00 0.00 C ATOM 173 CG ASN A 323 -19.956 2.662 -6.464 1.00 0.00 C ATOM 174 OD1 ASN A 323 -19.392 1.589 -6.381 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.181 2.722 -6.906 1.00 0.00 N ATOM 0 H ASN A 323 -17.321 5.780 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 323 -17.490 2.788 -5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.571 4.262 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -19.502 4.754 -6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -21.666 1.868 -7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.654 3.623 -6.976 1.00 0.00 H new ATOM 182 N ARG A 324 -15.956 3.481 -7.710 1.00 0.00 N ATOM 183 CA ARG A 324 -15.421 3.382 -9.101 1.00 0.00 C ATOM 184 C ARG A 324 -13.922 3.084 -9.051 1.00 0.00 C ATOM 185 O ARG A 324 -13.106 3.983 -9.008 1.00 0.00 O ATOM 186 CB ARG A 324 -15.641 4.706 -9.838 1.00 0.00 C ATOM 187 CG ARG A 324 -15.297 4.529 -11.319 1.00 0.00 C ATOM 188 CD ARG A 324 -15.456 5.866 -12.044 1.00 0.00 C ATOM 189 NE ARG A 324 -15.235 5.668 -13.504 1.00 0.00 N ATOM 190 CZ ARG A 324 -15.099 6.702 -14.290 1.00 0.00 C ATOM 191 NH1 ARG A 324 -15.155 7.908 -13.796 1.00 0.00 N ATOM 192 NH2 ARG A 324 -14.907 6.529 -15.569 1.00 0.00 N ATOM 0 H ARG A 324 -15.257 3.413 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 324 -15.942 2.581 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.677 5.027 -9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -15.019 5.486 -9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -14.275 4.165 -11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -15.950 3.780 -11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -16.452 6.271 -11.868 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -14.743 6.591 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 324 -15.190 4.725 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -15.305 8.043 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -15.049 8.716 -14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -14.863 5.586 -15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -14.801 7.337 -16.183 1.00 0.00 H new ATOM 206 N LEU A 325 -13.547 1.832 -9.062 1.00 0.00 N ATOM 207 CA LEU A 325 -12.101 1.492 -9.021 1.00 0.00 C ATOM 208 C LEU A 325 -11.635 1.098 -10.422 1.00 0.00 C ATOM 209 O LEU A 325 -12.255 0.295 -11.091 1.00 0.00 O ATOM 210 CB LEU A 325 -11.882 0.330 -8.053 1.00 0.00 C ATOM 211 CG LEU A 325 -10.385 0.049 -7.932 1.00 0.00 C ATOM 212 CD1 LEU A 325 -9.686 1.249 -7.290 1.00 0.00 C ATOM 213 CD2 LEU A 325 -10.174 -1.184 -7.057 1.00 0.00 C ATOM 0 H LEU A 325 -14.181 1.034 -9.098 1.00 0.00 H new ATOM 0 HA LEU A 325 -11.528 2.354 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -12.298 0.573 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -12.403 -0.559 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 325 -9.967 -0.125 -8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -8.619 1.046 -7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -9.839 2.133 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -10.102 1.424 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.107 -1.389 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -10.593 -1.004 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -10.671 -2.041 -7.511 1.00 0.00 H new ATOM 225 N CYS A 326 -10.551 1.664 -10.877 1.00 0.00 N ATOM 226 CA CYS A 326 -10.051 1.330 -12.239 1.00 0.00 C ATOM 227 C CYS A 326 -8.960 0.265 -12.141 1.00 0.00 C ATOM 228 O CYS A 326 -8.790 -0.364 -11.120 1.00 0.00 O ATOM 229 CB CYS A 326 -9.475 2.587 -12.886 1.00 0.00 C ATOM 230 SG CYS A 326 -7.694 2.662 -12.581 1.00 0.00 S ATOM 0 H CYS A 326 -9.990 2.344 -10.363 1.00 0.00 H new ATOM 0 HA CYS A 326 -10.874 0.948 -12.843 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -9.671 2.579 -13.958 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -9.962 3.474 -12.480 1.00 0.00 H new ATOM 235 N ARG A 327 -8.225 0.058 -13.201 1.00 0.00 N ATOM 236 CA ARG A 327 -7.143 -0.966 -13.178 1.00 0.00 C ATOM 237 C ARG A 327 -5.782 -0.281 -13.349 1.00 0.00 C ATOM 238 O ARG A 327 -4.743 -0.884 -13.169 1.00 0.00 O ATOM 239 CB ARG A 327 -7.370 -1.956 -14.323 1.00 0.00 C ATOM 240 CG ARG A 327 -8.687 -2.700 -14.095 1.00 0.00 C ATOM 241 CD ARG A 327 -8.857 -3.781 -15.164 1.00 0.00 C ATOM 242 NE ARG A 327 -10.207 -4.396 -15.038 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.535 -5.410 -15.791 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.680 -5.885 -16.655 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.718 -5.950 -15.680 1.00 0.00 N ATOM 0 H ARG A 327 -8.329 0.557 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.157 -1.496 -12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.398 -1.427 -15.276 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.543 -2.664 -14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -8.695 -3.151 -13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.523 -2.001 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.734 -3.348 -16.157 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.086 -4.544 -15.051 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.876 -4.025 -14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.755 -5.464 -16.742 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.937 -6.678 -17.243 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.386 -5.579 -15.005 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.974 -6.743 -16.269 1.00 0.00 H new ATOM 259 N VAL A 328 -5.786 0.977 -13.695 1.00 0.00 N ATOM 260 CA VAL A 328 -4.503 1.716 -13.882 1.00 0.00 C ATOM 261 C VAL A 328 -3.793 1.904 -12.542 1.00 0.00 C ATOM 262 O VAL A 328 -2.594 1.738 -12.438 1.00 0.00 O ATOM 263 CB VAL A 328 -4.791 3.091 -14.482 1.00 0.00 C ATOM 264 CG1 VAL A 328 -3.603 4.019 -14.215 1.00 0.00 C ATOM 265 CG2 VAL A 328 -5.001 2.954 -15.991 1.00 0.00 C ATOM 0 H VAL A 328 -6.628 1.529 -13.858 1.00 0.00 H new ATOM 0 HA VAL A 328 -3.864 1.138 -14.549 1.00 0.00 H new ATOM 0 HB VAL A 328 -5.689 3.508 -14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -3.805 5.001 -14.642 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -3.451 4.115 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -2.706 3.602 -14.673 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -5.207 3.935 -16.420 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.102 2.539 -16.447 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -5.844 2.290 -16.182 1.00 0.00 H new ATOM 275 N CYS A 329 -4.521 2.262 -11.521 1.00 0.00 N ATOM 276 CA CYS A 329 -3.887 2.475 -10.190 1.00 0.00 C ATOM 277 C CYS A 329 -4.304 1.351 -9.252 1.00 0.00 C ATOM 278 O CYS A 329 -3.650 1.073 -8.269 1.00 0.00 O ATOM 279 CB CYS A 329 -4.336 3.827 -9.618 1.00 0.00 C ATOM 280 SG CYS A 329 -6.143 3.868 -9.471 1.00 0.00 S ATOM 0 H CYS A 329 -5.529 2.416 -11.551 1.00 0.00 H new ATOM 0 HA CYS A 329 -2.802 2.476 -10.294 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -3.880 3.988 -8.641 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -3.997 4.636 -10.265 1.00 0.00 H new ATOM 285 N ALA A 330 -5.390 0.699 -9.550 1.00 0.00 N ATOM 286 CA ALA A 330 -5.855 -0.412 -8.678 1.00 0.00 C ATOM 287 C ALA A 330 -5.180 -1.714 -9.106 1.00 0.00 C ATOM 288 O ALA A 330 -4.056 -1.719 -9.569 1.00 0.00 O ATOM 289 CB ALA A 330 -7.370 -0.545 -8.805 1.00 0.00 C ATOM 0 H ALA A 330 -5.978 0.888 -10.362 1.00 0.00 H new ATOM 0 HA ALA A 330 -5.595 -0.202 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -7.719 -1.358 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -7.844 0.387 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.631 -0.759 -9.842 1.00 0.00 H new ATOM 295 N CYS A 331 -5.856 -2.816 -8.960 1.00 0.00 N ATOM 296 CA CYS A 331 -5.253 -4.115 -9.363 1.00 0.00 C ATOM 297 C CYS A 331 -5.298 -4.226 -10.884 1.00 0.00 C ATOM 298 O CYS A 331 -6.353 -4.340 -11.476 1.00 0.00 O ATOM 299 CB CYS A 331 -6.051 -5.267 -8.752 1.00 0.00 C ATOM 300 SG CYS A 331 -5.002 -6.195 -7.606 1.00 0.00 S ATOM 0 H CYS A 331 -6.800 -2.874 -8.579 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.222 -4.165 -9.011 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.925 -4.879 -8.228 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -6.418 -5.926 -9.539 1.00 0.00 H new ATOM 305 N HIS A 332 -4.166 -4.191 -11.524 1.00 0.00 N ATOM 306 CA HIS A 332 -4.158 -4.291 -13.006 1.00 0.00 C ATOM 307 C HIS A 332 -4.885 -5.571 -13.428 1.00 0.00 C ATOM 308 O HIS A 332 -5.644 -5.582 -14.376 1.00 0.00 O ATOM 309 CB HIS A 332 -2.711 -4.330 -13.506 1.00 0.00 C ATOM 310 CG HIS A 332 -2.697 -4.305 -15.009 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.215 -3.240 -15.736 1.00 0.00 N ATOM 312 CD2 HIS A 332 -2.230 -5.201 -15.940 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.047 -3.521 -17.042 1.00 0.00 C ATOM 314 NE2 HIS A 332 -2.453 -4.702 -17.217 1.00 0.00 N ATOM 0 H HIS A 332 -3.249 -4.098 -11.087 1.00 0.00 H new ATOM 0 HA HIS A 332 -4.664 -3.427 -13.437 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.156 -3.478 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.214 -5.229 -13.142 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.762 -6.148 -15.714 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.355 -2.871 -17.848 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.213 -5.146 -18.103 1.00 0.00 H new ATOM 323 N LEU A 333 -4.648 -6.650 -12.734 1.00 0.00 N ATOM 324 CA LEU A 333 -5.311 -7.936 -13.094 1.00 0.00 C ATOM 325 C LEU A 333 -6.742 -8.005 -12.545 1.00 0.00 C ATOM 326 O LEU A 333 -7.641 -8.489 -13.203 1.00 0.00 O ATOM 327 CB LEU A 333 -4.505 -9.097 -12.509 1.00 0.00 C ATOM 328 CG LEU A 333 -3.223 -9.301 -13.321 1.00 0.00 C ATOM 329 CD1 LEU A 333 -3.574 -9.779 -14.734 1.00 0.00 C ATOM 330 CD2 LEU A 333 -2.454 -7.981 -13.408 1.00 0.00 C ATOM 0 H LEU A 333 -4.022 -6.697 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 333 -5.354 -8.001 -14.181 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.258 -8.891 -11.468 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.102 -10.009 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 333 -2.604 -10.051 -12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.658 -9.923 -15.308 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -4.117 -10.722 -14.675 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -4.197 -9.032 -15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -1.542 -8.129 -13.986 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -3.075 -7.230 -13.895 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -2.196 -7.643 -12.404 1.00 0.00 H new ATOM 342 N CYS A 334 -6.959 -7.562 -11.335 1.00 0.00 N ATOM 343 CA CYS A 334 -8.330 -7.652 -10.747 1.00 0.00 C ATOM 344 C CYS A 334 -9.066 -6.313 -10.831 1.00 0.00 C ATOM 345 O CYS A 334 -9.931 -6.121 -11.663 1.00 0.00 O ATOM 346 CB CYS A 334 -8.222 -8.082 -9.279 1.00 0.00 C ATOM 347 SG CYS A 334 -6.875 -9.277 -9.099 1.00 0.00 S ATOM 0 H CYS A 334 -6.252 -7.144 -10.731 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.898 -8.386 -11.318 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -8.039 -7.213 -8.647 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -9.162 -8.524 -8.948 1.00 0.00 H new ATOM 352 N GLY A 335 -8.752 -5.395 -9.961 1.00 0.00 N ATOM 353 CA GLY A 335 -9.457 -4.082 -9.972 1.00 0.00 C ATOM 354 C GLY A 335 -10.490 -4.067 -8.844 1.00 0.00 C ATOM 355 O GLY A 335 -11.583 -3.557 -8.995 1.00 0.00 O ATOM 0 H GLY A 335 -8.036 -5.497 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.743 -3.269 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -9.946 -3.924 -10.933 1.00 0.00 H new ATOM 359 N GLY A 336 -10.150 -4.630 -7.712 1.00 0.00 N ATOM 360 CA GLY A 336 -11.109 -4.660 -6.569 1.00 0.00 C ATOM 361 C GLY A 336 -10.648 -3.691 -5.478 1.00 0.00 C ATOM 362 O GLY A 336 -9.475 -3.593 -5.173 1.00 0.00 O ATOM 0 H GLY A 336 -9.248 -5.070 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.107 -4.387 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.176 -5.670 -6.166 1.00 0.00 H new ATOM 366 N ARG A 337 -11.567 -2.976 -4.889 1.00 0.00 N ATOM 367 CA ARG A 337 -11.199 -2.010 -3.815 1.00 0.00 C ATOM 368 C ARG A 337 -10.503 -2.751 -2.671 1.00 0.00 C ATOM 369 O ARG A 337 -9.693 -2.195 -1.958 1.00 0.00 O ATOM 370 CB ARG A 337 -12.466 -1.334 -3.287 1.00 0.00 C ATOM 371 CG ARG A 337 -13.106 -0.506 -4.403 1.00 0.00 C ATOM 372 CD ARG A 337 -14.310 0.256 -3.846 1.00 0.00 C ATOM 373 NE ARG A 337 -15.273 -0.707 -3.243 1.00 0.00 N ATOM 374 CZ ARG A 337 -16.126 -1.338 -4.002 1.00 0.00 C ATOM 375 NH1 ARG A 337 -16.134 -1.126 -5.290 1.00 0.00 N ATOM 376 NH2 ARG A 337 -16.971 -2.181 -3.475 1.00 0.00 N ATOM 0 H ARG A 337 -12.563 -3.020 -5.107 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.523 -1.257 -4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -13.169 -2.086 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -12.223 -0.694 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -12.378 0.193 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.420 -1.157 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -13.983 0.976 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.795 0.822 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 337 -15.266 -0.873 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.473 -0.467 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -16.801 -1.619 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -16.965 -2.347 -2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -17.638 -2.674 -4.069 1.00 0.00 H new ATOM 390 N GLN A 338 -10.824 -4.001 -2.485 1.00 0.00 N ATOM 391 CA GLN A 338 -10.196 -4.781 -1.382 1.00 0.00 C ATOM 392 C GLN A 338 -8.673 -4.738 -1.522 1.00 0.00 C ATOM 393 O GLN A 338 -8.136 -4.852 -2.606 1.00 0.00 O ATOM 394 CB GLN A 338 -10.659 -6.235 -1.473 1.00 0.00 C ATOM 395 CG GLN A 338 -12.186 -6.296 -1.431 1.00 0.00 C ATOM 396 CD GLN A 338 -12.657 -7.531 -2.199 1.00 0.00 C ATOM 397 OE1 GLN A 338 -13.503 -8.268 -1.733 1.00 0.00 O ATOM 398 NE2 GLN A 338 -12.135 -7.788 -3.368 1.00 0.00 N ATOM 0 H GLN A 338 -11.497 -4.518 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.487 -4.351 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -10.293 -6.686 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -10.240 -6.812 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -12.533 -6.340 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -12.611 -5.394 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -11.425 -7.168 -3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -12.437 -8.609 -3.892 1.00 0.00 H new ATOM 407 N ASP A 339 -7.972 -4.580 -0.432 1.00 0.00 N ATOM 408 CA ASP A 339 -6.485 -4.539 -0.504 1.00 0.00 C ATOM 409 C ASP A 339 -5.899 -4.346 0.899 1.00 0.00 C ATOM 410 O ASP A 339 -5.059 -3.497 1.116 1.00 0.00 O ATOM 411 CB ASP A 339 -6.052 -3.378 -1.402 1.00 0.00 C ATOM 412 CG ASP A 339 -7.053 -2.229 -1.270 1.00 0.00 C ATOM 413 OD1 ASP A 339 -7.778 -2.211 -0.289 1.00 0.00 O ATOM 414 OD2 ASP A 339 -7.078 -1.387 -2.152 1.00 0.00 O ATOM 0 H ASP A 339 -8.365 -4.478 0.504 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.120 -5.479 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.055 -3.039 -1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.996 -3.708 -2.439 1.00 0.00 H new ATOM 419 N PRO A 340 -6.336 -5.132 1.848 1.00 0.00 N ATOM 420 CA PRO A 340 -5.836 -5.039 3.248 1.00 0.00 C ATOM 421 C PRO A 340 -4.350 -5.385 3.343 1.00 0.00 C ATOM 422 O PRO A 340 -3.643 -4.906 4.209 1.00 0.00 O ATOM 423 CB PRO A 340 -6.679 -6.057 4.020 1.00 0.00 C ATOM 424 CG PRO A 340 -7.214 -6.996 2.989 1.00 0.00 C ATOM 425 CD PRO A 340 -7.343 -6.192 1.697 1.00 0.00 C ATOM 0 HA PRO A 340 -5.927 -4.028 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -6.076 -6.586 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.488 -5.567 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -6.544 -7.845 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -8.180 -7.398 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.148 -6.809 0.820 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.345 -5.779 1.580 1.00 0.00 H new ATOM 433 N ASP A 341 -3.868 -6.205 2.452 1.00 0.00 N ATOM 434 CA ASP A 341 -2.431 -6.571 2.478 1.00 0.00 C ATOM 435 C ASP A 341 -1.608 -5.309 2.236 1.00 0.00 C ATOM 436 O ASP A 341 -0.470 -5.220 2.643 1.00 0.00 O ATOM 437 CB ASP A 341 -2.146 -7.591 1.376 1.00 0.00 C ATOM 438 CG ASP A 341 -2.848 -8.910 1.709 1.00 0.00 C ATOM 439 OD1 ASP A 341 -3.332 -9.037 2.821 1.00 0.00 O ATOM 440 OD2 ASP A 341 -2.890 -9.770 0.845 1.00 0.00 O ATOM 0 H ASP A 341 -4.412 -6.637 1.705 1.00 0.00 H new ATOM 0 HA ASP A 341 -2.170 -7.008 3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -2.496 -7.212 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -1.072 -7.751 1.283 1.00 0.00 H new ATOM 445 N LYS A 342 -2.202 -4.346 1.568 1.00 0.00 N ATOM 446 CA LYS A 342 -1.518 -3.050 1.260 1.00 0.00 C ATOM 447 C LYS A 342 -0.913 -3.116 -0.140 1.00 0.00 C ATOM 448 O LYS A 342 0.128 -3.705 -0.350 1.00 0.00 O ATOM 449 CB LYS A 342 -0.408 -2.751 2.270 1.00 0.00 C ATOM 450 CG LYS A 342 -0.084 -1.256 2.242 1.00 0.00 C ATOM 451 CD LYS A 342 1.066 -0.964 3.207 1.00 0.00 C ATOM 452 CE LYS A 342 1.281 0.547 3.301 1.00 0.00 C ATOM 453 NZ LYS A 342 2.010 0.868 4.561 1.00 0.00 N ATOM 0 H LYS A 342 -3.157 -4.408 1.215 1.00 0.00 H new ATOM 0 HA LYS A 342 -2.260 -2.254 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -0.722 -3.047 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.483 -3.332 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 342 0.189 -0.951 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -0.964 -0.677 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 342 0.841 -1.372 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 342 1.978 -1.451 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 342 1.849 0.898 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 342 0.321 1.064 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 2.156 1.896 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 1.451 0.546 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 2.932 0.386 4.561 1.00 0.00 H new ATOM 467 N GLN A 343 -1.554 -2.508 -1.098 1.00 0.00 N ATOM 468 CA GLN A 343 -1.007 -2.533 -2.484 1.00 0.00 C ATOM 469 C GLN A 343 0.037 -1.424 -2.630 1.00 0.00 C ATOM 470 O GLN A 343 -0.140 -0.322 -2.152 1.00 0.00 O ATOM 471 CB GLN A 343 -2.137 -2.311 -3.490 1.00 0.00 C ATOM 472 CG GLN A 343 -3.059 -3.532 -3.498 1.00 0.00 C ATOM 473 CD GLN A 343 -4.247 -3.270 -4.426 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.519 -2.141 -4.781 1.00 0.00 O ATOM 475 NE2 GLN A 343 -4.971 -4.276 -4.837 1.00 0.00 N ATOM 0 H GLN A 343 -2.429 -1.997 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.544 -3.501 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -2.702 -1.417 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -1.725 -2.146 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.510 -4.413 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -3.412 -3.741 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -4.742 -5.224 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -5.765 -4.114 -5.456 1.00 0.00 H new ATOM 484 N LEU A 344 1.132 -1.719 -3.272 1.00 0.00 N ATOM 485 CA LEU A 344 2.203 -0.697 -3.437 1.00 0.00 C ATOM 486 C LEU A 344 1.983 0.081 -4.737 1.00 0.00 C ATOM 487 O LEU A 344 1.587 -0.473 -5.745 1.00 0.00 O ATOM 488 CB LEU A 344 3.558 -1.404 -3.503 1.00 0.00 C ATOM 489 CG LEU A 344 3.704 -2.350 -2.311 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.947 -3.220 -2.507 1.00 0.00 C ATOM 491 CD2 LEU A 344 3.850 -1.533 -1.025 1.00 0.00 C ATOM 0 H LEU A 344 1.332 -2.627 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 344 2.178 -0.007 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.643 -1.962 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.363 -0.669 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 344 2.821 -2.985 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.055 -3.896 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.844 -3.801 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.829 -2.584 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 344 3.954 -2.208 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.734 -0.899 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.966 -0.910 -0.887 1.00 0.00 H new ATOM 503 N MET A 345 2.250 1.362 -4.717 1.00 0.00 N ATOM 504 CA MET A 345 2.072 2.189 -5.944 1.00 0.00 C ATOM 505 C MET A 345 3.391 2.892 -6.271 1.00 0.00 C ATOM 506 O MET A 345 4.140 3.264 -5.392 1.00 0.00 O ATOM 507 CB MET A 345 0.979 3.232 -5.701 1.00 0.00 C ATOM 508 CG MET A 345 0.600 3.893 -7.027 1.00 0.00 C ATOM 509 SD MET A 345 -0.638 5.179 -6.729 1.00 0.00 S ATOM 510 CE MET A 345 -0.998 5.558 -8.462 1.00 0.00 C ATOM 0 H MET A 345 2.585 1.871 -3.899 1.00 0.00 H new ATOM 0 HA MET A 345 1.781 1.552 -6.779 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.104 2.760 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.330 3.984 -4.995 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.484 4.326 -7.495 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.206 3.147 -7.718 1.00 0.00 H new ATOM 0 HE1 MET A 345 -1.871 6.208 -8.518 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.141 6.061 -8.910 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.199 4.633 -9.003 1.00 0.00 H new ATOM 520 N CYS A 346 3.688 3.078 -7.528 1.00 0.00 N ATOM 521 CA CYS A 346 4.964 3.762 -7.887 1.00 0.00 C ATOM 522 C CYS A 346 4.677 5.231 -8.200 1.00 0.00 C ATOM 523 O CYS A 346 3.926 5.549 -9.098 1.00 0.00 O ATOM 524 CB CYS A 346 5.581 3.083 -9.112 1.00 0.00 C ATOM 525 SG CYS A 346 7.021 4.026 -9.679 1.00 0.00 S ATOM 0 H CYS A 346 3.109 2.789 -8.316 1.00 0.00 H new ATOM 0 HA CYS A 346 5.663 3.698 -7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.878 2.064 -8.863 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.843 3.014 -9.911 1.00 0.00 H new ATOM 530 N ASP A 347 5.262 6.134 -7.467 1.00 0.00 N ATOM 531 CA ASP A 347 5.008 7.576 -7.734 1.00 0.00 C ATOM 532 C ASP A 347 5.321 7.882 -9.199 1.00 0.00 C ATOM 533 O ASP A 347 4.627 8.637 -9.850 1.00 0.00 O ATOM 534 CB ASP A 347 5.910 8.424 -6.832 1.00 0.00 C ATOM 535 CG ASP A 347 5.538 9.900 -6.978 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.697 10.199 -7.808 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.106 10.707 -6.260 1.00 0.00 O ATOM 0 H ASP A 347 5.902 5.938 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 347 3.963 7.809 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.800 8.112 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.955 8.274 -7.101 1.00 0.00 H new ATOM 542 N GLU A 348 6.365 7.301 -9.718 1.00 0.00 N ATOM 543 CA GLU A 348 6.736 7.553 -11.139 1.00 0.00 C ATOM 544 C GLU A 348 5.711 6.913 -12.083 1.00 0.00 C ATOM 545 O GLU A 348 5.411 7.446 -13.132 1.00 0.00 O ATOM 546 CB GLU A 348 8.117 6.959 -11.407 1.00 0.00 C ATOM 547 CG GLU A 348 8.581 7.364 -12.808 1.00 0.00 C ATOM 548 CD GLU A 348 8.846 8.870 -12.841 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.120 9.427 -11.792 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.771 9.440 -13.918 1.00 0.00 O ATOM 0 H GLU A 348 6.981 6.660 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 348 6.750 8.628 -11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.828 7.312 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.080 5.873 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.486 6.819 -13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.822 7.101 -13.545 1.00 0.00 H new ATOM 557 N CYS A 349 5.182 5.772 -11.723 1.00 0.00 N ATOM 558 CA CYS A 349 4.187 5.092 -12.608 1.00 0.00 C ATOM 559 C CYS A 349 2.853 4.943 -11.870 1.00 0.00 C ATOM 560 O CYS A 349 2.801 4.487 -10.748 1.00 0.00 O ATOM 561 CB CYS A 349 4.709 3.706 -12.993 1.00 0.00 C ATOM 562 SG CYS A 349 6.480 3.803 -13.363 1.00 0.00 S ATOM 0 H CYS A 349 5.395 5.281 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 349 4.039 5.691 -13.506 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.536 3.002 -12.179 1.00 0.00 H new ATOM 0 HB3 CYS A 349 4.166 3.330 -13.860 1.00 0.00 H new ATOM 567 N ASP A 350 1.773 5.324 -12.494 1.00 0.00 N ATOM 568 CA ASP A 350 0.445 5.208 -11.826 1.00 0.00 C ATOM 569 C ASP A 350 0.030 3.740 -11.746 1.00 0.00 C ATOM 570 O ASP A 350 -1.135 3.419 -11.625 1.00 0.00 O ATOM 571 CB ASP A 350 -0.598 5.999 -12.618 1.00 0.00 C ATOM 572 CG ASP A 350 -0.290 7.494 -12.514 1.00 0.00 C ATOM 573 OD1 ASP A 350 0.505 7.858 -11.663 1.00 0.00 O ATOM 574 OD2 ASP A 350 -0.856 8.250 -13.286 1.00 0.00 O ATOM 0 H ASP A 350 1.752 5.711 -13.438 1.00 0.00 H new ATOM 0 HA ASP A 350 0.514 5.613 -10.816 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -0.591 5.687 -13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -1.596 5.795 -12.231 1.00 0.00 H new ATOM 579 N MET A 351 0.978 2.849 -11.803 1.00 0.00 N ATOM 580 CA MET A 351 0.649 1.396 -11.720 1.00 0.00 C ATOM 581 C MET A 351 1.060 0.866 -10.347 1.00 0.00 C ATOM 582 O MET A 351 1.847 1.476 -9.645 1.00 0.00 O ATOM 583 CB MET A 351 1.403 0.630 -12.808 1.00 0.00 C ATOM 584 CG MET A 351 0.864 1.028 -14.184 1.00 0.00 C ATOM 585 SD MET A 351 1.604 -0.029 -15.453 1.00 0.00 S ATOM 586 CE MET A 351 3.330 0.412 -15.141 1.00 0.00 C ATOM 0 H MET A 351 1.970 3.063 -11.904 1.00 0.00 H new ATOM 0 HA MET A 351 -0.423 1.258 -11.863 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.469 0.847 -12.747 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.287 -0.443 -12.658 1.00 0.00 H new ATOM 0 HG2 MET A 351 -0.222 0.931 -14.203 1.00 0.00 H new ATOM 0 HG3 MET A 351 1.094 2.074 -14.388 1.00 0.00 H new ATOM 0 HE1 MET A 351 3.926 0.197 -16.028 1.00 0.00 H new ATOM 0 HE2 MET A 351 3.397 1.474 -14.907 1.00 0.00 H new ATOM 0 HE3 MET A 351 3.708 -0.170 -14.300 1.00 0.00 H new ATOM 596 N ALA A 352 0.530 -0.265 -9.955 1.00 0.00 N ATOM 597 CA ALA A 352 0.887 -0.835 -8.624 1.00 0.00 C ATOM 598 C ALA A 352 1.516 -2.211 -8.800 1.00 0.00 C ATOM 599 O ALA A 352 1.776 -2.652 -9.902 1.00 0.00 O ATOM 600 CB ALA A 352 -0.373 -0.954 -7.764 1.00 0.00 C ATOM 0 H ALA A 352 -0.133 -0.816 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 352 1.603 -0.176 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.112 -1.371 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.816 0.033 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.090 -1.609 -8.258 1.00 0.00 H new ATOM 606 N PHE A 353 1.779 -2.879 -7.713 1.00 0.00 N ATOM 607 CA PHE A 353 2.416 -4.218 -7.792 1.00 0.00 C ATOM 608 C PHE A 353 1.450 -5.299 -7.298 1.00 0.00 C ATOM 609 O PHE A 353 0.826 -5.171 -6.263 1.00 0.00 O ATOM 610 CB PHE A 353 3.674 -4.197 -6.936 1.00 0.00 C ATOM 611 CG PHE A 353 4.612 -3.153 -7.487 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.380 -1.797 -7.230 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.712 -3.542 -8.252 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.254 -0.830 -7.741 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.586 -2.577 -8.764 1.00 0.00 C ATOM 616 CZ PHE A 353 6.358 -1.220 -8.507 1.00 0.00 C ATOM 0 H PHE A 353 1.578 -2.551 -6.768 1.00 0.00 H new ATOM 0 HA PHE A 353 2.673 -4.449 -8.826 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.423 -3.971 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.152 -5.176 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 353 3.528 -1.497 -6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.889 -4.589 -8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.076 0.217 -7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 353 7.436 -2.879 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 353 7.034 -0.475 -8.900 1.00 0.00 H new ATOM 626 N HIS A 354 1.324 -6.355 -8.049 1.00 0.00 N ATOM 627 CA HIS A 354 0.401 -7.465 -7.671 1.00 0.00 C ATOM 628 C HIS A 354 0.937 -8.251 -6.467 1.00 0.00 C ATOM 629 O HIS A 354 0.457 -9.326 -6.169 1.00 0.00 O ATOM 630 CB HIS A 354 0.265 -8.412 -8.860 1.00 0.00 C ATOM 631 CG HIS A 354 -1.179 -8.778 -9.062 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.578 -10.072 -9.354 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.331 -8.032 -9.022 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.916 -10.066 -9.478 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.427 -8.847 -9.285 1.00 0.00 N ATOM 0 H HIS A 354 1.829 -6.500 -8.923 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.564 -7.038 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.658 -7.938 -9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.856 -9.311 -8.689 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -0.967 -10.882 -9.456 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.379 -6.973 -8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.507 -10.941 -9.706 1.00 0.00 H new ATOM 643 N ILE A 355 1.932 -7.757 -5.779 1.00 0.00 N ATOM 644 CA ILE A 355 2.466 -8.537 -4.623 1.00 0.00 C ATOM 645 C ILE A 355 1.325 -8.856 -3.657 1.00 0.00 C ATOM 646 O ILE A 355 1.342 -9.862 -2.976 1.00 0.00 O ATOM 647 CB ILE A 355 3.562 -7.749 -3.888 1.00 0.00 C ATOM 648 CG1 ILE A 355 2.946 -6.862 -2.795 1.00 0.00 C ATOM 649 CG2 ILE A 355 4.311 -6.860 -4.879 1.00 0.00 C ATOM 650 CD1 ILE A 355 2.683 -7.675 -1.518 1.00 0.00 C ATOM 0 H ILE A 355 2.391 -6.865 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 355 2.904 -9.462 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 355 4.249 -8.461 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.617 -6.033 -2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 355 2.013 -6.429 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 355 5.087 -6.303 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 355 4.768 -7.480 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 355 3.613 -6.162 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 355 2.247 -7.027 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 355 1.993 -8.489 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 355 3.622 -8.086 -1.149 1.00 0.00 H new ATOM 662 N TYR A 356 0.335 -8.012 -3.589 1.00 0.00 N ATOM 663 CA TYR A 356 -0.801 -8.277 -2.664 1.00 0.00 C ATOM 664 C TYR A 356 -1.565 -9.518 -3.133 1.00 0.00 C ATOM 665 O TYR A 356 -1.970 -10.344 -2.340 1.00 0.00 O ATOM 666 CB TYR A 356 -1.731 -7.060 -2.648 1.00 0.00 C ATOM 667 CG TYR A 356 -3.152 -7.490 -2.919 1.00 0.00 C ATOM 668 CD1 TYR A 356 -3.819 -8.324 -2.015 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.804 -7.048 -4.075 1.00 0.00 C ATOM 670 CE1 TYR A 356 -5.138 -8.718 -2.267 1.00 0.00 C ATOM 671 CE2 TYR A 356 -5.123 -7.439 -4.328 1.00 0.00 C ATOM 672 CZ TYR A 356 -5.791 -8.274 -3.424 1.00 0.00 C ATOM 673 OH TYR A 356 -7.093 -8.660 -3.672 1.00 0.00 O ATOM 0 H TYR A 356 0.263 -7.152 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 356 -0.424 -8.455 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.672 -6.560 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.411 -6.338 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -3.316 -8.664 -1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.289 -6.404 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -5.652 -9.364 -1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.626 -7.097 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 356 -7.397 -8.264 -4.515 1.00 0.00 H new ATOM 683 N CYS A 357 -1.762 -9.658 -4.415 1.00 0.00 N ATOM 684 CA CYS A 357 -2.498 -10.848 -4.930 1.00 0.00 C ATOM 685 C CYS A 357 -1.545 -12.039 -5.034 1.00 0.00 C ATOM 686 O CYS A 357 -1.839 -13.128 -4.582 1.00 0.00 O ATOM 687 CB CYS A 357 -3.065 -10.531 -6.314 1.00 0.00 C ATOM 688 SG CYS A 357 -4.618 -9.617 -6.140 1.00 0.00 S ATOM 0 H CYS A 357 -1.446 -9.001 -5.128 1.00 0.00 H new ATOM 0 HA CYS A 357 -3.310 -11.095 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.347 -9.943 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.235 -11.454 -6.869 1.00 0.00 H new ATOM 693 N LEU A 358 -0.404 -11.838 -5.633 1.00 0.00 N ATOM 694 CA LEU A 358 0.574 -12.950 -5.780 1.00 0.00 C ATOM 695 C LEU A 358 1.132 -13.339 -4.410 1.00 0.00 C ATOM 696 O LEU A 358 1.342 -14.500 -4.117 1.00 0.00 O ATOM 697 CB LEU A 358 1.716 -12.480 -6.679 1.00 0.00 C ATOM 698 CG LEU A 358 1.188 -12.203 -8.087 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.327 -11.684 -8.967 1.00 0.00 C ATOM 700 CD2 LEU A 358 0.633 -13.497 -8.688 1.00 0.00 C ATOM 0 H LEU A 358 -0.106 -10.946 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 358 0.081 -13.817 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.168 -11.578 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.497 -13.239 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 358 0.397 -11.455 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 358 1.950 -11.487 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.725 -10.763 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 358 3.118 -12.432 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 358 0.257 -13.300 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 358 1.425 -14.244 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 358 -0.178 -13.870 -8.063 1.00 0.00 H new ATOM 712 N ASP A 359 1.375 -12.375 -3.573 1.00 0.00 N ATOM 713 CA ASP A 359 1.922 -12.672 -2.218 1.00 0.00 C ATOM 714 C ASP A 359 3.226 -13.467 -2.346 1.00 0.00 C ATOM 715 O ASP A 359 3.338 -14.573 -1.856 1.00 0.00 O ATOM 716 CB ASP A 359 0.903 -13.492 -1.426 1.00 0.00 C ATOM 717 CG ASP A 359 1.120 -13.271 0.072 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.140 -12.122 0.484 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.265 -14.252 0.782 1.00 0.00 O ATOM 0 H ASP A 359 1.218 -11.386 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 359 2.122 -11.735 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 359 -0.109 -13.199 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.007 -14.550 -1.667 1.00 0.00 H new ATOM 724 N PRO A 360 4.205 -12.898 -2.997 1.00 0.00 N ATOM 725 CA PRO A 360 5.533 -13.544 -3.195 1.00 0.00 C ATOM 726 C PRO A 360 6.412 -13.444 -1.943 1.00 0.00 C ATOM 727 O PRO A 360 6.141 -12.659 -1.056 1.00 0.00 O ATOM 728 CB PRO A 360 6.149 -12.740 -4.340 1.00 0.00 C ATOM 729 CG PRO A 360 5.539 -11.383 -4.233 1.00 0.00 C ATOM 730 CD PRO A 360 4.148 -11.570 -3.623 1.00 0.00 C ATOM 0 HA PRO A 360 5.444 -14.610 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.234 -12.693 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.929 -13.196 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.151 -10.732 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.471 -10.911 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 360 3.927 -10.794 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.369 -11.522 -4.384 1.00 0.00 H new ATOM 738 N PRO A 361 7.462 -14.223 -1.872 1.00 0.00 N ATOM 739 CA PRO A 361 8.388 -14.197 -0.707 1.00 0.00 C ATOM 740 C PRO A 361 8.803 -12.770 -0.334 1.00 0.00 C ATOM 741 O PRO A 361 9.252 -12.513 0.765 1.00 0.00 O ATOM 742 CB PRO A 361 9.606 -14.991 -1.182 1.00 0.00 C ATOM 743 CG PRO A 361 9.117 -15.875 -2.280 1.00 0.00 C ATOM 744 CD PRO A 361 7.878 -15.210 -2.883 1.00 0.00 C ATOM 0 HA PRO A 361 7.920 -14.612 0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.392 -14.325 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.031 -15.578 -0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 361 9.889 -16.008 -3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 361 8.873 -16.865 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.108 -14.731 -3.835 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.090 -15.938 -3.075 1.00 0.00 H new ATOM 752 N LEU A 362 8.662 -11.838 -1.241 1.00 0.00 N ATOM 753 CA LEU A 362 9.056 -10.435 -0.929 1.00 0.00 C ATOM 754 C LEU A 362 8.330 -9.968 0.335 1.00 0.00 C ATOM 755 O LEU A 362 8.937 -9.412 1.228 1.00 0.00 O ATOM 756 CB LEU A 362 8.670 -9.518 -2.094 1.00 0.00 C ATOM 757 CG LEU A 362 9.360 -9.985 -3.378 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.031 -9.012 -4.513 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.875 -10.013 -3.162 1.00 0.00 C ATOM 0 H LEU A 362 8.293 -11.988 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 362 10.134 -10.394 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.588 -9.524 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.957 -8.491 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 362 9.009 -10.984 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 362 9.521 -9.342 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.952 -8.985 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.385 -8.015 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.367 -10.346 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.224 -9.013 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.114 -10.700 -2.351 1.00 0.00 H new ATOM 771 N SER A 363 7.040 -10.200 0.410 1.00 0.00 N ATOM 772 CA SER A 363 6.252 -9.778 1.613 1.00 0.00 C ATOM 773 C SER A 363 6.864 -8.517 2.226 1.00 0.00 C ATOM 774 O SER A 363 6.882 -8.348 3.430 1.00 0.00 O ATOM 775 CB SER A 363 6.266 -10.904 2.647 1.00 0.00 C ATOM 776 OG SER A 363 5.473 -11.986 2.176 1.00 0.00 O ATOM 0 H SER A 363 6.496 -10.667 -0.316 1.00 0.00 H new ATOM 0 HA SER A 363 5.226 -9.565 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 363 7.288 -11.238 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 363 5.879 -10.543 3.600 1.00 0.00 H new ATOM 0 HG SER A 363 5.482 -12.710 2.837 1.00 0.00 H new ATOM 782 N SER A 364 7.384 -7.641 1.406 1.00 0.00 N ATOM 783 CA SER A 364 8.019 -6.401 1.934 1.00 0.00 C ATOM 784 C SER A 364 7.392 -5.164 1.288 1.00 0.00 C ATOM 785 O SER A 364 7.024 -5.173 0.130 1.00 0.00 O ATOM 786 CB SER A 364 9.508 -6.428 1.606 1.00 0.00 C ATOM 787 OG SER A 364 10.156 -5.348 2.264 1.00 0.00 O ATOM 0 H SER A 364 7.395 -7.733 0.390 1.00 0.00 H new ATOM 0 HA SER A 364 7.866 -6.356 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.944 -7.375 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.656 -6.353 0.529 1.00 0.00 H new ATOM 0 HG SER A 364 11.113 -5.365 2.056 1.00 0.00 H new ATOM 793 N VAL A 365 7.286 -4.095 2.031 1.00 0.00 N ATOM 794 CA VAL A 365 6.706 -2.844 1.473 1.00 0.00 C ATOM 795 C VAL A 365 7.827 -1.797 1.328 1.00 0.00 C ATOM 796 O VAL A 365 8.350 -1.319 2.315 1.00 0.00 O ATOM 797 CB VAL A 365 5.641 -2.314 2.434 1.00 0.00 C ATOM 798 CG1 VAL A 365 5.239 -0.896 2.021 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.413 -3.226 2.386 1.00 0.00 C ATOM 0 H VAL A 365 7.579 -4.037 3.006 1.00 0.00 H new ATOM 0 HA VAL A 365 6.256 -3.042 0.500 1.00 0.00 H new ATOM 0 HB VAL A 365 6.043 -2.296 3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 365 4.480 -0.519 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 365 6.113 -0.246 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.837 -0.912 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 365 3.653 -2.849 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.012 -3.243 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.698 -4.236 2.681 1.00 0.00 H new ATOM 809 N PRO A 366 8.200 -1.439 0.119 1.00 0.00 N ATOM 810 CA PRO A 366 9.276 -0.437 -0.121 1.00 0.00 C ATOM 811 C PRO A 366 8.771 1.003 0.004 1.00 0.00 C ATOM 812 O PRO A 366 9.520 1.948 -0.147 1.00 0.00 O ATOM 813 CB PRO A 366 9.716 -0.726 -1.553 1.00 0.00 C ATOM 814 CG PRO A 366 8.503 -1.270 -2.232 1.00 0.00 C ATOM 815 CD PRO A 366 7.647 -1.940 -1.151 1.00 0.00 C ATOM 0 HA PRO A 366 10.079 -0.520 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.071 0.179 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.536 -1.444 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 366 7.947 -0.473 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.782 -1.988 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.595 -1.676 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.711 -3.026 -1.211 1.00 0.00 H new ATOM 823 N SER A 367 7.508 1.178 0.275 1.00 0.00 N ATOM 824 CA SER A 367 6.958 2.554 0.404 1.00 0.00 C ATOM 825 C SER A 367 7.713 3.298 1.507 1.00 0.00 C ATOM 826 O SER A 367 7.645 4.507 1.612 1.00 0.00 O ATOM 827 CB SER A 367 5.474 2.473 0.762 1.00 0.00 C ATOM 828 OG SER A 367 5.337 2.008 2.097 1.00 0.00 O ATOM 0 H SER A 367 6.833 0.426 0.413 1.00 0.00 H new ATOM 0 HA SER A 367 7.075 3.088 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.009 3.453 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.959 1.801 0.076 1.00 0.00 H new ATOM 0 HG SER A 367 4.386 1.957 2.330 1.00 0.00 H new ATOM 834 N GLU A 368 8.433 2.586 2.331 1.00 0.00 N ATOM 835 CA GLU A 368 9.190 3.256 3.424 1.00 0.00 C ATOM 836 C GLU A 368 10.018 4.401 2.841 1.00 0.00 C ATOM 837 O GLU A 368 10.206 5.424 3.468 1.00 0.00 O ATOM 838 CB GLU A 368 10.121 2.243 4.095 1.00 0.00 C ATOM 839 CG GLU A 368 10.793 2.891 5.306 1.00 0.00 C ATOM 840 CD GLU A 368 11.800 1.914 5.917 1.00 0.00 C ATOM 841 OE1 GLU A 368 11.945 0.829 5.376 1.00 0.00 O ATOM 842 OE2 GLU A 368 12.409 2.266 6.913 1.00 0.00 O ATOM 0 H GLU A 368 8.529 1.571 2.294 1.00 0.00 H new ATOM 0 HA GLU A 368 8.491 3.651 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 368 9.556 1.365 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 368 10.876 1.902 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 368 11.298 3.810 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 368 10.043 3.167 6.047 1.00 0.00 H new ATOM 849 N ASP A 369 10.508 4.245 1.639 1.00 0.00 N ATOM 850 CA ASP A 369 11.311 5.329 1.015 1.00 0.00 C ATOM 851 C ASP A 369 10.863 5.494 -0.433 1.00 0.00 C ATOM 852 O ASP A 369 10.127 4.683 -0.957 1.00 0.00 O ATOM 853 CB ASP A 369 12.795 4.963 1.052 1.00 0.00 C ATOM 854 CG ASP A 369 13.258 4.842 2.505 1.00 0.00 C ATOM 855 OD1 ASP A 369 12.550 5.325 3.373 1.00 0.00 O ATOM 856 OD2 ASP A 369 14.312 4.269 2.725 1.00 0.00 O ATOM 0 H ASP A 369 10.385 3.411 1.065 1.00 0.00 H new ATOM 0 HA ASP A 369 11.163 6.260 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 369 12.961 4.022 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 369 13.380 5.724 0.535 1.00 0.00 H new ATOM 861 N GLU A 370 11.296 6.530 -1.089 1.00 0.00 N ATOM 862 CA GLU A 370 10.880 6.724 -2.504 1.00 0.00 C ATOM 863 C GLU A 370 11.386 5.544 -3.334 1.00 0.00 C ATOM 864 O GLU A 370 12.564 5.431 -3.611 1.00 0.00 O ATOM 865 CB GLU A 370 11.480 8.024 -3.041 1.00 0.00 C ATOM 866 CG GLU A 370 10.937 9.207 -2.238 1.00 0.00 C ATOM 867 CD GLU A 370 11.476 10.513 -2.824 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.344 10.442 -3.678 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.011 11.563 -2.411 1.00 0.00 O ATOM 0 H GLU A 370 11.916 7.247 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 370 9.793 6.780 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.567 7.991 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.232 8.143 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.847 9.207 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.232 9.116 -1.193 1.00 0.00 H new ATOM 876 N TRP A 371 10.504 4.664 -3.729 1.00 0.00 N ATOM 877 CA TRP A 371 10.932 3.488 -4.538 1.00 0.00 C ATOM 878 C TRP A 371 10.081 3.402 -5.810 1.00 0.00 C ATOM 879 O TRP A 371 8.877 3.562 -5.775 1.00 0.00 O ATOM 880 CB TRP A 371 10.768 2.216 -3.705 1.00 0.00 C ATOM 881 CG TRP A 371 9.614 1.420 -4.213 1.00 0.00 C ATOM 882 CD1 TRP A 371 8.314 1.754 -4.060 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.631 0.160 -4.944 1.00 0.00 C ATOM 884 NE1 TRP A 371 7.532 0.781 -4.651 1.00 0.00 N ATOM 885 CE2 TRP A 371 8.298 -0.224 -5.209 1.00 0.00 C ATOM 886 CE3 TRP A 371 10.667 -0.678 -5.398 1.00 0.00 C ATOM 887 CZ2 TRP A 371 7.999 -1.397 -5.900 1.00 0.00 C ATOM 888 CZ3 TRP A 371 10.369 -1.860 -6.096 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.037 -2.219 -6.344 1.00 0.00 C ATOM 0 H TRP A 371 9.506 4.710 -3.526 1.00 0.00 H new ATOM 0 HA TRP A 371 11.979 3.597 -4.822 1.00 0.00 H new ATOM 0 HB2 TRP A 371 11.680 1.621 -3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 371 10.609 2.475 -2.658 1.00 0.00 H new ATOM 0 HD1 TRP A 371 7.947 2.637 -3.558 1.00 0.00 H new ATOM 0 HE1 TRP A 371 6.512 0.802 -4.673 1.00 0.00 H new ATOM 0 HE3 TRP A 371 11.696 -0.411 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 6.971 -1.668 -6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 11.170 -2.495 -6.443 1.00 0.00 H new ATOM 0 HH2 TRP A 371 8.814 -3.131 -6.878 1.00 0.00 H new ATOM 900 N TYR A 372 10.703 3.161 -6.936 1.00 0.00 N ATOM 901 CA TYR A 372 9.940 3.074 -8.219 1.00 0.00 C ATOM 902 C TYR A 372 10.220 1.721 -8.885 1.00 0.00 C ATOM 903 O TYR A 372 11.293 1.168 -8.746 1.00 0.00 O ATOM 904 CB TYR A 372 10.396 4.191 -9.160 1.00 0.00 C ATOM 905 CG TYR A 372 10.711 5.437 -8.367 1.00 0.00 C ATOM 906 CD1 TYR A 372 9.675 6.233 -7.864 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.044 5.799 -8.143 1.00 0.00 C ATOM 908 CE1 TYR A 372 9.973 7.392 -7.136 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.343 6.958 -7.417 1.00 0.00 C ATOM 910 CZ TYR A 372 11.307 7.754 -6.914 1.00 0.00 C ATOM 911 OH TYR A 372 11.602 8.898 -6.200 1.00 0.00 O ATOM 0 H TYR A 372 11.710 3.020 -7.023 1.00 0.00 H new ATOM 0 HA TYR A 372 8.874 3.175 -8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.277 3.872 -9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.616 4.403 -9.891 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.646 5.954 -8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.843 5.184 -8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 372 9.174 8.006 -6.746 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.372 7.238 -7.245 1.00 0.00 H new ATOM 0 HH TYR A 372 12.574 9.002 -6.137 1.00 0.00 H new ATOM 921 N CYS A 373 9.275 1.179 -9.613 1.00 0.00 N ATOM 922 CA CYS A 373 9.527 -0.133 -10.278 1.00 0.00 C ATOM 923 C CYS A 373 10.888 -0.076 -10.980 1.00 0.00 C ATOM 924 O CYS A 373 11.387 0.983 -11.291 1.00 0.00 O ATOM 925 CB CYS A 373 8.433 -0.429 -11.316 1.00 0.00 C ATOM 926 SG CYS A 373 7.083 0.771 -11.181 1.00 0.00 S ATOM 0 H CYS A 373 8.352 1.583 -9.773 1.00 0.00 H new ATOM 0 HA CYS A 373 9.519 -0.923 -9.527 1.00 0.00 H new ATOM 0 HB2 CYS A 373 8.858 -0.395 -12.319 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.047 -1.437 -11.167 1.00 0.00 H new ATOM 931 N PRO A 374 11.491 -1.207 -11.221 1.00 0.00 N ATOM 932 CA PRO A 374 12.821 -1.275 -11.895 1.00 0.00 C ATOM 933 C PRO A 374 12.793 -0.684 -13.311 1.00 0.00 C ATOM 934 O PRO A 374 13.817 -0.335 -13.865 1.00 0.00 O ATOM 935 CB PRO A 374 13.145 -2.772 -11.946 1.00 0.00 C ATOM 936 CG PRO A 374 11.854 -3.483 -11.703 1.00 0.00 C ATOM 937 CD PRO A 374 10.979 -2.540 -10.882 1.00 0.00 C ATOM 0 HA PRO A 374 13.567 -0.691 -11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.566 -3.047 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 374 13.884 -3.037 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.369 -3.737 -12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.022 -4.418 -11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 374 9.926 -2.643 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.064 -2.742 -9.814 1.00 0.00 H new ATOM 945 N GLU A 375 11.635 -0.579 -13.907 1.00 0.00 N ATOM 946 CA GLU A 375 11.558 -0.024 -15.291 1.00 0.00 C ATOM 947 C GLU A 375 11.772 1.494 -15.274 1.00 0.00 C ATOM 948 O GLU A 375 12.477 2.037 -16.101 1.00 0.00 O ATOM 949 CB GLU A 375 10.191 -0.347 -15.894 1.00 0.00 C ATOM 950 CG GLU A 375 9.153 0.630 -15.353 1.00 0.00 C ATOM 951 CD GLU A 375 7.752 0.163 -15.751 1.00 0.00 C ATOM 952 OE1 GLU A 375 7.658 -0.805 -16.488 1.00 0.00 O ATOM 953 OE2 GLU A 375 6.796 0.781 -15.312 1.00 0.00 O ATOM 0 H GLU A 375 10.742 -0.852 -13.498 1.00 0.00 H new ATOM 0 HA GLU A 375 12.342 -0.478 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.236 -0.281 -16.981 1.00 0.00 H new ATOM 0 HB3 GLU A 375 9.906 -1.370 -15.648 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.231 0.695 -14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.340 1.629 -15.746 1.00 0.00 H new ATOM 960 N CYS A 376 11.166 2.184 -14.346 1.00 0.00 N ATOM 961 CA CYS A 376 11.337 3.665 -14.293 1.00 0.00 C ATOM 962 C CYS A 376 12.787 3.997 -13.945 1.00 0.00 C ATOM 963 O CYS A 376 13.323 5.004 -14.363 1.00 0.00 O ATOM 964 CB CYS A 376 10.403 4.267 -13.238 1.00 0.00 C ATOM 965 SG CYS A 376 9.941 3.002 -12.032 1.00 0.00 S ATOM 0 H CYS A 376 10.562 1.789 -13.625 1.00 0.00 H new ATOM 0 HA CYS A 376 11.088 4.088 -15.266 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.896 5.099 -12.735 1.00 0.00 H new ATOM 0 HB3 CYS A 376 9.510 4.669 -13.717 1.00 0.00 H new ATOM 970 N ARG A 377 13.426 3.160 -13.175 1.00 0.00 N ATOM 971 CA ARG A 377 14.839 3.428 -12.790 1.00 0.00 C ATOM 972 C ARG A 377 15.714 3.443 -14.046 1.00 0.00 C ATOM 973 O ARG A 377 16.767 4.050 -14.074 1.00 0.00 O ATOM 974 CB ARG A 377 15.323 2.321 -11.855 1.00 0.00 C ATOM 975 CG ARG A 377 14.419 2.261 -10.624 1.00 0.00 C ATOM 976 CD ARG A 377 14.964 1.223 -9.641 1.00 0.00 C ATOM 977 NE ARG A 377 13.925 0.904 -8.622 1.00 0.00 N ATOM 978 CZ ARG A 377 13.574 1.801 -7.743 1.00 0.00 C ATOM 979 NH1 ARG A 377 14.133 2.980 -7.754 1.00 0.00 N ATOM 980 NH2 ARG A 377 12.664 1.518 -6.852 1.00 0.00 N ATOM 0 H ARG A 377 13.029 2.300 -12.795 1.00 0.00 H new ATOM 0 HA ARG A 377 14.904 4.393 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.313 1.362 -12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.353 2.510 -11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.371 3.240 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.402 2.000 -10.918 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.253 0.318 -10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.861 1.605 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 377 13.488 -0.017 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 377 14.845 3.200 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 377 13.858 3.681 -7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 377 12.228 0.596 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 377 12.389 2.219 -6.164 1.00 0.00 H new ATOM 994 N ASN A 378 15.287 2.779 -15.086 1.00 0.00 N ATOM 995 CA ASN A 378 16.095 2.755 -16.338 1.00 0.00 C ATOM 996 C ASN A 378 17.491 2.207 -16.035 1.00 0.00 C ATOM 997 O ASN A 378 18.488 2.742 -16.479 1.00 0.00 O ATOM 998 CB ASN A 378 16.214 4.174 -16.897 1.00 0.00 C ATOM 999 CG ASN A 378 16.618 4.110 -18.371 1.00 0.00 C ATOM 1000 OD1 ASN A 378 16.779 3.041 -18.923 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.789 5.220 -19.037 1.00 0.00 N ATOM 0 H ASN A 378 14.414 2.253 -15.122 1.00 0.00 H new ATOM 0 HA ASN A 378 15.606 2.116 -17.073 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.264 4.698 -16.792 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.954 4.739 -16.330 1.00 0.00 H new ATOM 0 HD21 ASN A 378 17.058 5.188 -20.020 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.654 6.119 -18.574 1.00 0.00 H new ATOM 1008 N ASP A 379 17.571 1.146 -15.280 1.00 0.00 N ATOM 1009 CA ASP A 379 18.902 0.566 -14.948 1.00 0.00 C ATOM 1010 C ASP A 379 19.256 -0.519 -15.968 1.00 0.00 C ATOM 1011 O ASP A 379 18.950 -0.329 -17.134 1.00 0.00 O ATOM 1012 CB ASP A 379 18.858 -0.046 -13.547 1.00 0.00 C ATOM 1013 CG ASP A 379 20.258 -0.514 -13.149 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.184 -0.253 -13.898 1.00 0.00 O ATOM 1015 OD2 ASP A 379 20.381 -1.126 -12.100 1.00 0.00 O ATOM 1016 OXT ASP A 379 19.825 -1.520 -15.565 1.00 0.00 O ATOM 0 H ASP A 379 16.772 0.656 -14.879 1.00 0.00 H new ATOM 0 HA ASP A 379 19.657 1.352 -14.977 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.491 0.688 -12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.163 -0.886 -13.527 1.00 0.00 H new TER 1021 ASP A 379 ATOM 1022 N ALA B 383 7.477 6.742 -0.749 1.00 0.00 N ATOM 1023 CA ALA B 383 7.078 6.699 -2.184 1.00 0.00 C ATOM 1024 C ALA B 383 5.577 6.971 -2.305 1.00 0.00 C ATOM 1025 O ALA B 383 5.047 7.859 -1.668 1.00 0.00 O ATOM 1026 CB ALA B 383 7.391 5.315 -2.760 1.00 0.00 C ATOM 0 HA ALA B 383 7.632 7.458 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA B 383 7.099 5.283 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA B 383 8.460 5.118 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.837 4.557 -2.206 1.00 0.00 H new ATOM 1034 N ARG B 384 4.893 6.211 -3.116 1.00 0.00 N ATOM 1035 CA ARG B 384 3.426 6.417 -3.283 1.00 0.00 C ATOM 1036 C ARG B 384 2.696 5.092 -3.051 1.00 0.00 C ATOM 1037 O ARG B 384 3.098 4.059 -3.542 1.00 0.00 O ATOM 1038 CB ARG B 384 3.140 6.909 -4.707 1.00 0.00 C ATOM 1039 CG ARG B 384 1.643 7.196 -4.855 1.00 0.00 C ATOM 1040 CD ARG B 384 1.322 7.531 -6.314 1.00 0.00 C ATOM 1041 NE ARG B 384 1.983 8.811 -6.695 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.835 9.284 -7.904 1.00 0.00 C ATOM 1043 NH1 ARG B 384 1.132 8.621 -8.781 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.392 10.416 -8.235 1.00 0.00 N ATOM 0 H ARG B 384 5.289 5.453 -3.672 1.00 0.00 H new ATOM 0 HA ARG B 384 3.079 7.157 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.717 7.810 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.451 6.157 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.064 6.330 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.357 8.027 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.664 6.727 -6.965 1.00 0.00 H new ATOM 0 HD3 ARG B 384 0.244 7.614 -6.449 1.00 0.00 H new ATOM 0 HE ARG B 384 2.549 9.317 -6.014 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.699 7.735 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG B 384 1.016 8.989 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.944 10.933 -7.550 1.00 0.00 H new ATOM 0 HH22 ARG B 384 2.276 10.785 -9.179 1.00 0.00 H new ATOM 1058 N THR B 385 1.617 5.116 -2.317 1.00 0.00 N ATOM 1059 CA THR B 385 0.851 3.860 -2.073 1.00 0.00 C ATOM 1060 C THR B 385 -0.635 4.133 -2.312 1.00 0.00 C ATOM 1061 O THR B 385 -1.205 5.048 -1.753 1.00 0.00 O ATOM 1062 CB THR B 385 1.072 3.391 -0.631 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.466 3.267 -0.385 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.393 2.038 -0.420 1.00 0.00 C ATOM 0 H THR B 385 1.232 5.951 -1.875 1.00 0.00 H new ATOM 0 HA THR B 385 1.194 3.079 -2.752 1.00 0.00 H new ATOM 0 HB THR B 385 0.643 4.119 0.057 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.610 2.969 0.537 1.00 0.00 H new ATOM 0 HG21 THR B 385 0.552 1.707 0.606 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.676 2.134 -0.609 1.00 0.00 H new ATOM 0 HG23 THR B 385 0.818 1.306 -1.107 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.268 3.349 -3.142 1.00 0.00 N ATOM 1073 CA LYS B 386 -2.714 3.568 -3.416 1.00 0.00 C ATOM 1074 C LYS B 386 -3.515 3.255 -2.155 1.00 0.00 C ATOM 1075 O LYS B 386 -4.537 3.855 -1.888 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.173 2.643 -4.541 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.482 3.175 -5.128 1.00 0.00 C ATOM 1078 CD LYS B 386 -5.326 2.004 -5.626 1.00 0.00 C ATOM 1079 CE LYS B 386 -6.576 2.537 -6.325 1.00 0.00 C ATOM 1080 NZ LYS B 386 -6.758 1.829 -7.622 1.00 0.00 N ATOM 0 H LYS B 386 -0.845 2.567 -3.641 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.873 4.605 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -2.409 2.587 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -3.316 1.631 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -5.030 3.738 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.273 3.862 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.745 1.390 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -5.609 1.364 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -7.451 2.389 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -6.482 3.610 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -7.716 2.010 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -6.057 2.175 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -6.629 0.807 -7.481 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.062 2.303 -1.387 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.799 1.929 -0.152 1.00 0.00 C ATOM 1096 C GLN B 387 -4.113 3.187 0.658 1.00 0.00 C ATOM 1097 O GLN B 387 -5.114 3.263 1.342 1.00 0.00 O ATOM 1098 CB GLN B 387 -2.948 0.976 0.690 1.00 0.00 C ATOM 1099 CG GLN B 387 -3.801 0.397 1.821 1.00 0.00 C ATOM 1100 CD GLN B 387 -4.827 -0.576 1.239 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -4.506 -1.374 0.382 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -6.059 -0.544 1.672 1.00 0.00 N ATOM 0 H GLN B 387 -2.212 1.768 -1.563 1.00 0.00 H new ATOM 0 HA GLN B 387 -4.730 1.432 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -2.557 0.172 0.066 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.089 1.506 1.102 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -3.166 -0.116 2.543 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -4.308 1.200 2.356 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -6.329 0.126 2.392 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -6.751 -1.189 1.290 1.00 0.00 H new ATOM 1111 N THR B 388 -3.265 4.175 0.587 1.00 0.00 N ATOM 1112 CA THR B 388 -3.517 5.425 1.356 1.00 0.00 C ATOM 1113 C THR B 388 -4.910 5.955 1.005 1.00 0.00 C ATOM 1114 O THR B 388 -5.618 6.474 1.845 1.00 0.00 O ATOM 1115 CB THR B 388 -2.465 6.474 0.985 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.678 6.899 -0.354 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.062 5.873 1.110 1.00 0.00 C ATOM 0 H THR B 388 -2.410 4.171 0.031 1.00 0.00 H new ATOM 0 HA THR B 388 -3.459 5.218 2.425 1.00 0.00 H new ATOM 0 HB THR B 388 -2.552 7.325 1.661 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.142 6.347 -0.961 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.319 6.625 0.844 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.896 5.546 2.136 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.971 5.020 0.438 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.309 5.821 -0.231 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.657 6.309 -0.639 1.00 0.00 C ATOM 1127 C ALA B 389 -7.732 5.430 0.005 1.00 0.00 C ATOM 1128 O ALA B 389 -7.520 4.258 0.250 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.786 6.240 -2.161 1.00 0.00 C ATOM 0 H ALA B 389 -4.759 5.394 -0.976 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.785 7.341 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.772 6.597 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -6.020 6.865 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.658 5.209 -2.491 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.884 5.986 0.279 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.975 5.184 0.908 1.00 0.00 C ATOM 1137 C ARG B 390 -11.204 5.189 -0.006 1.00 0.00 C ATOM 1138 O ARG B 390 -11.491 6.165 -0.670 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.346 5.802 2.258 1.00 0.00 C ATOM 1140 CG ARG B 390 -9.151 5.706 3.209 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.558 6.217 4.592 1.00 0.00 C ATOM 1142 NE ARG B 390 -10.077 7.608 4.476 1.00 0.00 N ATOM 1143 CZ ARG B 390 -9.246 8.605 4.332 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -7.960 8.382 4.291 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -9.701 9.823 4.228 1.00 0.00 N ATOM 0 H ARG B 390 -9.116 6.962 0.094 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.634 4.159 1.056 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.636 6.844 2.125 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -11.205 5.284 2.683 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.809 4.673 3.277 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -8.318 6.293 2.823 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.321 5.568 5.021 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -8.702 6.192 5.267 1.00 0.00 H new ATOM 0 HE ARG B 390 -11.082 7.782 4.509 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -7.605 7.429 4.371 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -7.311 9.161 4.179 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -10.706 9.997 4.259 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -9.052 10.602 4.116 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.932 4.106 -0.044 1.00 0.00 N ATOM 1160 CA LYS B 391 -13.141 4.049 -0.914 1.00 0.00 C ATOM 1161 C LYS B 391 -14.280 3.362 -0.159 1.00 0.00 C ATOM 1162 O LYS B 391 -14.351 3.407 1.052 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.825 3.257 -2.182 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.709 3.953 -2.958 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.485 3.225 -4.284 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.272 3.823 -4.993 1.00 0.00 C ATOM 1167 NZ LYS B 391 -10.653 4.224 -6.376 1.00 0.00 N ATOM 0 H LYS B 391 -11.742 3.258 0.490 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.439 5.062 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.523 2.242 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.717 3.175 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.973 4.994 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.790 3.956 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.328 2.161 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.369 3.315 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -9.904 4.688 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -9.461 3.096 -5.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -9.797 4.456 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -11.155 3.440 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -11.274 5.057 -6.337 1.00 0.00 H new ATOM 1181 N SER B 392 -15.171 2.721 -0.867 1.00 0.00 N ATOM 1182 CA SER B 392 -16.302 2.030 -0.189 1.00 0.00 C ATOM 1183 C SER B 392 -15.736 0.973 0.757 1.00 0.00 C ATOM 1184 O SER B 392 -16.136 0.867 1.899 1.00 0.00 O ATOM 1185 CB SER B 392 -17.193 1.357 -1.234 1.00 0.00 C ATOM 1186 OG SER B 392 -17.609 2.325 -2.188 1.00 0.00 O ATOM 0 H SER B 392 -15.163 2.647 -1.884 1.00 0.00 H new ATOM 0 HA SER B 392 -16.894 2.752 0.373 1.00 0.00 H new ATOM 0 HB2 SER B 392 -16.649 0.552 -1.729 1.00 0.00 H new ATOM 0 HB3 SER B 392 -18.061 0.907 -0.753 1.00 0.00 H new ATOM 0 HG SER B 392 -16.871 2.516 -2.804 1.00 0.00 H new ATOM 1192 N THR B 393 -14.787 0.205 0.296 1.00 0.00 N ATOM 1193 CA THR B 393 -14.174 -0.824 1.176 1.00 0.00 C ATOM 1194 C THR B 393 -13.446 -0.105 2.308 1.00 0.00 C ATOM 1195 O THR B 393 -13.407 -0.560 3.434 1.00 0.00 O ATOM 1196 CB THR B 393 -13.180 -1.665 0.370 1.00 0.00 C ATOM 1197 OG1 THR B 393 -13.838 -2.213 -0.762 1.00 0.00 O ATOM 1198 CG2 THR B 393 -12.637 -2.797 1.244 1.00 0.00 C ATOM 0 H THR B 393 -14.411 0.247 -0.651 1.00 0.00 H new ATOM 0 HA THR B 393 -14.941 -1.484 1.581 1.00 0.00 H new ATOM 0 HB THR B 393 -12.353 -1.035 0.042 1.00 0.00 H new ATOM 0 HG1 THR B 393 -13.364 -3.018 -1.058 1.00 0.00 H new ATOM 0 HG21 THR B 393 -11.930 -3.394 0.668 1.00 0.00 H new ATOM 0 HG22 THR B 393 -12.132 -2.375 2.113 1.00 0.00 H new ATOM 0 HG23 THR B 393 -13.461 -3.429 1.574 1.00 0.00 H new ATOM 1206 N GLY B 394 -12.872 1.028 2.005 1.00 0.00 N ATOM 1207 CA GLY B 394 -12.144 1.805 3.042 1.00 0.00 C ATOM 1208 C GLY B 394 -10.822 1.111 3.371 1.00 0.00 C ATOM 1209 O GLY B 394 -9.788 1.733 3.189 1.00 0.00 O ATOM 1210 OXT GLY B 394 -10.864 -0.030 3.800 1.00 0.00 O ATOM 0 H GLY B 394 -12.878 1.449 1.076 1.00 0.00 H new ATOM 0 HA2 GLY B 394 -11.956 2.818 2.686 1.00 0.00 H new ATOM 0 HA3 GLY B 394 -12.754 1.891 3.941 1.00 0.00 H new TER 1214 GLY B 394 HETATM 1215 ZN ZN A 380 -7.147 4.568 -11.423 1.00 0.00 ZN HETATM 1216 ZN ZN A 381 -4.975 -8.448 -8.087 1.00 0.00 ZN HETATM 1217 ZN ZN A 382 7.683 2.947 -11.598 1.00 0.00 ZN