USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 709 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 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -5.31! C(o=-9.2!,f=-17!) USER MOD Set 2.2: A 68 TYR OH : rot 30:sc= -3.9! USER MOD Set 3.1: A 40 ASN : amide:sc= -7.44! C(o=-12!,f=-19!) USER MOD Set 3.2: A 83 THR OG1 : rot -141:sc= -4.94! USER MOD Set 4.1: A 28 THR OG1 : rot -79:sc= 0.845 USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.141 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -179:sc= -0.308 (180deg=-0.314) USER MOD Single : A 9 THR OG1 : rot -119:sc= -5.28! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 38:sc= 0.104 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -147:sc= -0.554 (180deg=-1.11) USER MOD Single : A 34 ASN : amide:sc= -3.57 K(o=-3.6,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= -0.12 (180deg=-0.798) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -78:sc= 0.632 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.225 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 140:sc= 0 USER MOD Single : A 78 TYR OH : rot 90:sc= -1.93 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 142:sc= -1.14! (180deg=-7.31!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.04! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.140 -8.901 -1.941 1.00 0.00 N ATOM 2 CA ALA A 1 -15.440 -8.493 -3.146 1.00 0.00 C ATOM 3 C ALA A 1 -14.018 -8.058 -2.784 1.00 0.00 C ATOM 4 O ALA A 1 -13.682 -7.946 -1.605 1.00 0.00 O ATOM 5 CB ALA A 1 -16.229 -7.383 -3.845 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.271 -9.933 -1.948 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.583 -8.628 -1.106 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.069 -8.435 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.362 -9.327 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.703 -7.077 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.220 -7.752 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.326 -6.529 -3.175 1.00 0.00 H new ATOM 11 N SER A 2 -13.223 -7.825 -3.817 1.00 0.00 N ATOM 12 CA SER A 2 -11.846 -7.404 -3.620 1.00 0.00 C ATOM 13 C SER A 2 -11.791 -6.233 -2.639 1.00 0.00 C ATOM 14 O SER A 2 -12.820 -5.645 -2.310 1.00 0.00 O ATOM 15 CB SER A 2 -11.195 -7.014 -4.949 1.00 0.00 C ATOM 16 OG SER A 2 -11.960 -6.038 -5.652 1.00 0.00 O ATOM 0 H SER A 2 -13.505 -7.919 -4.793 1.00 0.00 H new ATOM 0 HA SER A 2 -11.288 -8.243 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.194 -6.624 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.080 -7.902 -5.571 1.00 0.00 H new ATOM 0 HG SER A 2 -11.511 -5.814 -6.494 1.00 0.00 H new ATOM 22 N VAL A 3 -10.580 -5.930 -2.196 1.00 0.00 N ATOM 23 CA VAL A 3 -10.377 -4.839 -1.257 1.00 0.00 C ATOM 24 C VAL A 3 -9.543 -3.744 -1.926 1.00 0.00 C ATOM 25 O VAL A 3 -9.066 -3.919 -3.046 1.00 0.00 O ATOM 26 CB VAL A 3 -9.744 -5.369 0.032 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.811 -5.923 0.978 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.680 -6.425 -0.274 1.00 0.00 C ATOM 0 H VAL A 3 -9.729 -6.421 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.332 -4.394 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.253 -4.535 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.335 -6.293 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.516 -5.132 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.343 -6.739 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.246 -6.785 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.137 -7.259 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.898 -5.985 -0.892 1.00 0.00 H new ATOM 38 N GLN A 4 -9.393 -2.639 -1.210 1.00 0.00 N ATOM 39 CA GLN A 4 -8.626 -1.516 -1.720 1.00 0.00 C ATOM 40 C GLN A 4 -7.906 -0.800 -0.575 1.00 0.00 C ATOM 41 O GLN A 4 -8.430 -0.716 0.535 1.00 0.00 O ATOM 42 CB GLN A 4 -9.520 -0.548 -2.497 1.00 0.00 C ATOM 43 CG GLN A 4 -10.642 -1.296 -3.218 1.00 0.00 C ATOM 44 CD GLN A 4 -11.324 -0.398 -4.252 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.249 0.818 -4.202 1.00 0.00 O ATOM 46 NE2 GLN A 4 -11.993 -1.064 -5.190 1.00 0.00 N ATOM 0 H GLN A 4 -9.790 -2.498 -0.281 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.875 -1.899 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.948 0.185 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.921 0.003 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.237 -2.180 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.377 -1.644 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.016 -2.084 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.483 -0.555 -5.925 1.00 0.00 H new ATOM 55 N ILE A 5 -6.717 -0.303 -0.884 1.00 0.00 N ATOM 56 CA ILE A 5 -5.922 0.403 0.105 1.00 0.00 C ATOM 57 C ILE A 5 -5.966 1.904 -0.187 1.00 0.00 C ATOM 58 O ILE A 5 -5.399 2.364 -1.178 1.00 0.00 O ATOM 59 CB ILE A 5 -4.504 -0.172 0.162 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.445 -1.397 1.076 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.494 0.901 0.574 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.919 -1.050 2.490 1.00 0.00 C ATOM 0 H ILE A 5 -6.286 -0.376 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.340 0.260 1.102 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.230 -0.505 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.067 -2.192 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.424 -1.778 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.495 0.467 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.512 1.715 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.755 1.287 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.867 -1.938 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.280 -0.272 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.948 -0.692 2.451 1.00 0.00 H new ATOM 74 N LYS A 6 -6.644 2.626 0.692 1.00 0.00 N ATOM 75 CA LYS A 6 -6.770 4.066 0.541 1.00 0.00 C ATOM 76 C LYS A 6 -5.555 4.748 1.172 1.00 0.00 C ATOM 77 O LYS A 6 -5.074 4.322 2.221 1.00 0.00 O ATOM 78 CB LYS A 6 -8.108 4.549 1.103 1.00 0.00 C ATOM 79 CG LYS A 6 -9.100 4.845 -0.023 1.00 0.00 C ATOM 80 CD LYS A 6 -10.411 5.404 0.535 1.00 0.00 C ATOM 81 CE LYS A 6 -11.526 4.358 0.466 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.665 4.866 -0.331 1.00 0.00 N ATOM 0 H LYS A 6 -7.112 2.241 1.512 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.777 4.340 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.522 3.791 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.953 5.447 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.663 5.560 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.299 3.933 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.266 5.718 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.703 6.290 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.144 3.439 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.861 4.109 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.413 4.144 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.040 5.730 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.344 5.082 -1.297 1.00 0.00 H new ATOM 96 N MET A 7 -5.092 5.797 0.507 1.00 0.00 N ATOM 97 CA MET A 7 -3.943 6.543 0.990 1.00 0.00 C ATOM 98 C MET A 7 -4.332 7.978 1.350 1.00 0.00 C ATOM 99 O MET A 7 -4.538 8.809 0.466 1.00 0.00 O ATOM 100 CB MET A 7 -2.857 6.562 -0.088 1.00 0.00 C ATOM 101 CG MET A 7 -2.184 5.195 -0.214 1.00 0.00 C ATOM 102 SD MET A 7 -2.993 4.229 -1.478 1.00 0.00 S ATOM 103 CE MET A 7 -1.782 4.349 -2.783 1.00 0.00 C ATOM 0 H MET A 7 -5.493 6.148 -0.363 1.00 0.00 H new ATOM 0 HA MET A 7 -3.567 6.053 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.295 6.845 -1.045 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.110 7.317 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.130 5.321 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.228 4.670 0.740 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.139 3.811 -3.661 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.625 5.397 -3.038 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.841 3.912 -2.448 1.00 0.00 H new ATOM 113 N GLY A 8 -4.421 8.226 2.648 1.00 0.00 N ATOM 114 CA GLY A 8 -4.782 9.546 3.134 1.00 0.00 C ATOM 115 C GLY A 8 -6.230 9.571 3.631 1.00 0.00 C ATOM 116 O GLY A 8 -7.124 9.040 2.973 1.00 0.00 O ATOM 0 H GLY A 8 -4.249 7.535 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.111 9.836 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.655 10.278 2.337 1.00 0.00 H new ATOM 120 N THR A 9 -6.415 10.193 4.786 1.00 0.00 N ATOM 121 CA THR A 9 -7.739 10.295 5.376 1.00 0.00 C ATOM 122 C THR A 9 -8.422 11.591 4.936 1.00 0.00 C ATOM 123 O THR A 9 -7.755 12.537 4.518 1.00 0.00 O ATOM 124 CB THR A 9 -7.589 10.171 6.894 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.433 10.950 7.194 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.209 8.756 7.333 1.00 0.00 C ATOM 0 H THR A 9 -5.671 10.631 5.329 1.00 0.00 H new ATOM 0 HA THR A 9 -8.389 9.491 5.031 1.00 0.00 H new ATOM 0 HB THR A 9 -8.523 10.461 7.375 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.749 10.377 7.599 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.116 8.725 8.419 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.982 8.056 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.258 8.477 6.879 1.00 0.00 H new ATOM 134 N ASP A 10 -9.742 11.593 5.045 1.00 0.00 N ATOM 135 CA ASP A 10 -10.522 12.758 4.663 1.00 0.00 C ATOM 136 C ASP A 10 -10.141 13.938 5.558 1.00 0.00 C ATOM 137 O ASP A 10 -10.495 15.080 5.271 1.00 0.00 O ATOM 138 CB ASP A 10 -12.020 12.498 4.835 1.00 0.00 C ATOM 139 CG ASP A 10 -12.935 13.563 4.231 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.383 14.528 3.658 1.00 0.00 O ATOM 141 OD2 ASP A 10 -14.168 13.391 4.354 1.00 0.00 O ATOM 0 H ASP A 10 -10.291 10.807 5.392 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.312 12.976 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.260 11.536 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.239 12.414 5.900 1.00 0.00 H new ATOM 146 N LYS A 11 -9.424 13.621 6.628 1.00 0.00 N ATOM 147 CA LYS A 11 -8.992 14.641 7.567 1.00 0.00 C ATOM 148 C LYS A 11 -7.616 15.163 7.148 1.00 0.00 C ATOM 149 O LYS A 11 -6.813 15.557 7.994 1.00 0.00 O ATOM 150 CB LYS A 11 -9.036 14.104 8.999 1.00 0.00 C ATOM 151 CG LYS A 11 -10.395 14.376 9.645 1.00 0.00 C ATOM 152 CD LYS A 11 -10.477 13.744 11.037 1.00 0.00 C ATOM 153 CE LYS A 11 -11.404 12.526 11.032 1.00 0.00 C ATOM 154 NZ LYS A 11 -12.819 12.951 11.132 1.00 0.00 N ATOM 0 H LYS A 11 -9.132 12.673 6.864 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.675 15.490 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.839 13.032 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.248 14.571 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.557 15.451 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.188 13.977 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.481 13.446 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.841 14.480 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.254 11.951 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.156 11.869 11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.434 12.113 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.961 13.480 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.057 13.559 10.323 1.00 0.00 H new ATOM 168 N TYR A 12 -7.384 15.149 5.844 1.00 0.00 N ATOM 169 CA TYR A 12 -6.120 15.616 5.303 1.00 0.00 C ATOM 170 C TYR A 12 -4.940 15.016 6.070 1.00 0.00 C ATOM 171 O TYR A 12 -3.912 15.668 6.245 1.00 0.00 O ATOM 172 CB TYR A 12 -6.115 17.134 5.491 1.00 0.00 C ATOM 173 CG TYR A 12 -6.164 17.925 4.182 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.079 17.914 3.329 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.292 18.648 3.855 1.00 0.00 C ATOM 176 CE1 TYR A 12 -5.125 18.657 2.097 1.00 0.00 C ATOM 177 CE2 TYR A 12 -7.338 19.392 2.623 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.252 19.359 1.805 1.00 0.00 C ATOM 179 OH TYR A 12 -6.295 20.062 0.640 1.00 0.00 O ATOM 0 H TYR A 12 -8.051 14.821 5.146 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.019 15.324 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.970 17.416 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.218 17.418 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.196 17.348 3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.141 18.656 4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.283 18.657 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.215 19.963 2.355 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.161 20.514 0.562 1.00 0.00 H new ATOM 189 N ALA A 13 -5.128 13.778 6.505 1.00 0.00 N ATOM 190 CA ALA A 13 -4.092 13.082 7.249 1.00 0.00 C ATOM 191 C ALA A 13 -3.519 11.956 6.387 1.00 0.00 C ATOM 192 O ALA A 13 -4.260 11.102 5.902 1.00 0.00 O ATOM 193 CB ALA A 13 -4.668 12.569 8.570 1.00 0.00 C ATOM 0 H ALA A 13 -5.982 13.240 6.356 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.274 13.760 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.890 12.047 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.034 13.410 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.491 11.884 8.366 1.00 0.00 H new ATOM 199 N PRO A 14 -2.170 11.991 6.215 1.00 0.00 N ATOM 200 CA PRO A 14 -1.490 10.984 5.419 1.00 0.00 C ATOM 201 C PRO A 14 -1.394 9.659 6.177 1.00 0.00 C ATOM 202 O PRO A 14 -0.598 9.527 7.106 1.00 0.00 O ATOM 203 CB PRO A 14 -0.131 11.586 5.100 1.00 0.00 C ATOM 204 CG PRO A 14 0.077 12.703 6.110 1.00 0.00 C ATOM 205 CD PRO A 14 -1.261 12.988 6.772 1.00 0.00 C ATOM 0 HA PRO A 14 -2.027 10.739 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.656 10.836 5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.104 11.971 4.081 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.817 12.411 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.457 13.598 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.193 12.900 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.602 14.000 6.555 1.00 0.00 H new ATOM 213 N LEU A 15 -2.215 8.710 5.753 1.00 0.00 N ATOM 214 CA LEU A 15 -2.233 7.399 6.380 1.00 0.00 C ATOM 215 C LEU A 15 -2.872 6.390 5.425 1.00 0.00 C ATOM 216 O LEU A 15 -3.436 6.771 4.400 1.00 0.00 O ATOM 217 CB LEU A 15 -2.914 7.469 7.748 1.00 0.00 C ATOM 218 CG LEU A 15 -2.599 6.325 8.714 1.00 0.00 C ATOM 219 CD1 LEU A 15 -2.090 6.863 10.053 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.809 5.404 8.887 1.00 0.00 C ATOM 0 H LEU A 15 -2.873 8.823 4.982 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.217 7.055 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.632 8.408 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.993 7.501 7.594 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.798 5.725 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.874 6.030 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.182 7.443 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.852 7.500 10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.558 4.600 9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.648 5.976 9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.084 4.980 7.921 1.00 0.00 H new ATOM 232 N TYR A 16 -2.763 5.123 5.794 1.00 0.00 N ATOM 233 CA TYR A 16 -3.323 4.055 4.982 1.00 0.00 C ATOM 234 C TYR A 16 -4.658 3.574 5.555 1.00 0.00 C ATOM 235 O TYR A 16 -4.739 3.207 6.726 1.00 0.00 O ATOM 236 CB TYR A 16 -2.314 2.907 5.041 1.00 0.00 C ATOM 237 CG TYR A 16 -1.244 2.962 3.948 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.612 2.904 2.620 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.088 3.067 4.291 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.606 2.956 1.590 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.094 3.119 3.262 1.00 0.00 C ATOM 242 CZ TYR A 16 0.697 3.061 1.962 1.00 0.00 C ATOM 243 OH TYR A 16 1.647 3.109 0.991 1.00 0.00 O ATOM 0 H TYR A 16 -2.295 4.811 6.645 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.504 4.401 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.825 2.917 6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.850 1.961 4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.655 2.820 2.352 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.376 3.110 5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.881 2.913 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.140 3.202 3.517 1.00 0.00 H new ATOM 0 HH TYR A 16 1.314 3.633 0.233 1.00 0.00 H new ATOM 253 N GLU A 17 -5.671 3.593 4.702 1.00 0.00 N ATOM 254 CA GLU A 17 -7.000 3.164 5.109 1.00 0.00 C ATOM 255 C GLU A 17 -7.487 2.025 4.210 1.00 0.00 C ATOM 256 O GLU A 17 -7.507 2.160 2.988 1.00 0.00 O ATOM 257 CB GLU A 17 -7.983 4.335 5.092 1.00 0.00 C ATOM 258 CG GLU A 17 -9.213 4.031 5.949 1.00 0.00 C ATOM 259 CD GLU A 17 -10.117 5.260 6.069 1.00 0.00 C ATOM 260 OE1 GLU A 17 -10.848 5.524 5.090 1.00 0.00 O ATOM 261 OE2 GLU A 17 -10.055 5.908 7.137 1.00 0.00 O ATOM 0 H GLU A 17 -5.600 3.898 3.731 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.945 2.795 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.490 5.234 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.291 4.541 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.772 3.206 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.898 3.709 6.942 1.00 0.00 H new ATOM 268 N PRO A 18 -7.879 0.902 4.868 1.00 0.00 N ATOM 269 CA PRO A 18 -7.823 0.826 6.319 1.00 0.00 C ATOM 270 C PRO A 18 -6.383 0.650 6.803 1.00 0.00 C ATOM 271 O PRO A 18 -5.468 0.485 5.997 1.00 0.00 O ATOM 272 CB PRO A 18 -8.721 -0.345 6.686 1.00 0.00 C ATOM 273 CG PRO A 18 -8.875 -1.166 5.415 1.00 0.00 C ATOM 274 CD PRO A 18 -8.383 -0.322 4.252 1.00 0.00 C ATOM 0 HA PRO A 18 -8.166 1.741 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.279 -0.941 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.689 0.003 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.301 -2.090 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.917 -1.449 5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.600 -0.835 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.188 -0.109 3.549 1.00 0.00 H new ATOM 282 N LYS A 19 -6.226 0.689 8.118 1.00 0.00 N ATOM 283 CA LYS A 19 -4.912 0.536 8.720 1.00 0.00 C ATOM 284 C LYS A 19 -4.374 -0.862 8.410 1.00 0.00 C ATOM 285 O LYS A 19 -3.179 -1.033 8.174 1.00 0.00 O ATOM 286 CB LYS A 19 -4.967 0.857 10.215 1.00 0.00 C ATOM 287 CG LYS A 19 -3.569 0.828 10.834 1.00 0.00 C ATOM 288 CD LYS A 19 -3.502 1.713 12.080 1.00 0.00 C ATOM 289 CE LYS A 19 -2.565 2.902 11.858 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.835 3.227 13.104 1.00 0.00 N ATOM 0 H LYS A 19 -6.987 0.824 8.784 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.210 1.251 8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.414 1.840 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.608 0.136 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.305 -0.196 11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.836 1.168 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.500 2.073 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.155 1.125 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.855 2.670 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.139 3.768 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.204 4.036 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.516 3.469 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.272 2.405 13.401 1.00 0.00 H new ATOM 304 N ALA A 20 -5.282 -1.827 8.422 1.00 0.00 N ATOM 305 CA ALA A 20 -4.914 -3.205 8.146 1.00 0.00 C ATOM 306 C ALA A 20 -5.891 -3.796 7.129 1.00 0.00 C ATOM 307 O ALA A 20 -7.048 -3.383 7.061 1.00 0.00 O ATOM 308 CB ALA A 20 -4.883 -3.999 9.454 1.00 0.00 C ATOM 0 H ALA A 20 -6.272 -1.681 8.619 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.916 -3.255 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.607 -5.033 9.246 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.151 -3.557 10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.869 -3.973 9.919 1.00 0.00 H new ATOM 314 N LEU A 21 -5.391 -4.752 6.361 1.00 0.00 N ATOM 315 CA LEU A 21 -6.207 -5.404 5.350 1.00 0.00 C ATOM 316 C LEU A 21 -5.902 -6.904 5.344 1.00 0.00 C ATOM 317 O LEU A 21 -4.747 -7.307 5.465 1.00 0.00 O ATOM 318 CB LEU A 21 -6.011 -4.732 3.989 1.00 0.00 C ATOM 319 CG LEU A 21 -6.436 -5.551 2.769 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.922 -5.905 2.836 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.077 -4.827 1.470 1.00 0.00 C ATOM 0 H LEU A 21 -4.431 -5.091 6.418 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.266 -5.294 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.568 -3.795 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.957 -4.476 3.881 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.881 -6.489 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.197 -6.487 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.116 -6.491 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.513 -4.990 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.390 -5.431 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.586 -3.863 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.999 -4.670 1.427 1.00 0.00 H new ATOM 333 N SER A 22 -6.959 -7.689 5.200 1.00 0.00 N ATOM 334 CA SER A 22 -6.820 -9.135 5.178 1.00 0.00 C ATOM 335 C SER A 22 -7.531 -9.710 3.951 1.00 0.00 C ATOM 336 O SER A 22 -8.599 -9.233 3.568 1.00 0.00 O ATOM 337 CB SER A 22 -7.377 -9.763 6.457 1.00 0.00 C ATOM 338 OG SER A 22 -7.042 -11.144 6.564 1.00 0.00 O ATOM 0 H SER A 22 -7.916 -7.351 5.097 1.00 0.00 H new ATOM 0 HA SER A 22 -5.758 -9.375 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.988 -9.228 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.461 -9.651 6.474 1.00 0.00 H new ATOM 0 HG SER A 22 -7.414 -11.508 7.394 1.00 0.00 H new ATOM 344 N ILE A 23 -6.911 -10.725 3.368 1.00 0.00 N ATOM 345 CA ILE A 23 -7.472 -11.370 2.192 1.00 0.00 C ATOM 346 C ILE A 23 -7.006 -12.827 2.144 1.00 0.00 C ATOM 347 O ILE A 23 -6.335 -13.298 3.061 1.00 0.00 O ATOM 348 CB ILE A 23 -7.132 -10.573 0.932 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.628 -10.606 0.651 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.666 -9.142 1.026 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.340 -10.321 -0.824 1.00 0.00 C ATOM 0 H ILE A 23 -6.025 -11.117 3.688 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.560 -11.385 2.247 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.629 -11.047 0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.122 -9.868 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.225 -11.582 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.410 -8.598 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.750 -9.165 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.219 -8.643 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.264 -10.350 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.828 -11.075 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.723 -9.334 -1.085 1.00 0.00 H new ATOM 363 N SER A 24 -7.381 -13.498 1.066 1.00 0.00 N ATOM 364 CA SER A 24 -7.010 -14.891 0.886 1.00 0.00 C ATOM 365 C SER A 24 -6.187 -15.053 -0.394 1.00 0.00 C ATOM 366 O SER A 24 -6.234 -14.199 -1.278 1.00 0.00 O ATOM 367 CB SER A 24 -8.248 -15.789 0.837 1.00 0.00 C ATOM 368 OG SER A 24 -9.164 -15.491 1.887 1.00 0.00 O ATOM 0 H SER A 24 -7.938 -13.103 0.308 1.00 0.00 H new ATOM 0 HA SER A 24 -6.406 -15.196 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.746 -15.667 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.942 -16.833 0.908 1.00 0.00 H new ATOM 0 HG SER A 24 -9.942 -16.084 1.821 1.00 0.00 H new ATOM 374 N ALA A 25 -5.452 -16.154 -0.453 1.00 0.00 N ATOM 375 CA ALA A 25 -4.621 -16.439 -1.609 1.00 0.00 C ATOM 376 C ALA A 25 -5.501 -16.520 -2.858 1.00 0.00 C ATOM 377 O ALA A 25 -6.221 -17.499 -3.052 1.00 0.00 O ATOM 378 CB ALA A 25 -3.832 -17.727 -1.367 1.00 0.00 C ATOM 0 H ALA A 25 -5.415 -16.860 0.283 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.898 -15.639 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.208 -17.940 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.200 -17.607 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.525 -18.553 -1.206 1.00 0.00 H new ATOM 384 N GLY A 26 -5.416 -15.478 -3.671 1.00 0.00 N ATOM 385 CA GLY A 26 -6.197 -15.420 -4.896 1.00 0.00 C ATOM 386 C GLY A 26 -7.048 -14.149 -4.944 1.00 0.00 C ATOM 387 O GLY A 26 -7.664 -13.849 -5.965 1.00 0.00 O ATOM 0 H GLY A 26 -4.819 -14.667 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.531 -15.449 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.842 -16.296 -4.962 1.00 0.00 H new ATOM 391 N ASP A 27 -7.054 -13.437 -3.826 1.00 0.00 N ATOM 392 CA ASP A 27 -7.820 -12.206 -3.727 1.00 0.00 C ATOM 393 C ASP A 27 -7.015 -11.059 -4.343 1.00 0.00 C ATOM 394 O ASP A 27 -5.853 -11.237 -4.705 1.00 0.00 O ATOM 395 CB ASP A 27 -8.106 -11.852 -2.267 1.00 0.00 C ATOM 396 CG ASP A 27 -9.203 -12.686 -1.602 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.385 -13.840 -2.045 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.833 -12.150 -0.665 1.00 0.00 O ATOM 0 H ASP A 27 -6.541 -13.689 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.763 -12.352 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.186 -11.967 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.387 -10.800 -2.212 1.00 0.00 H new ATOM 403 N THR A 28 -7.666 -9.910 -4.443 1.00 0.00 N ATOM 404 CA THR A 28 -7.025 -8.735 -5.010 1.00 0.00 C ATOM 405 C THR A 28 -7.047 -7.580 -4.006 1.00 0.00 C ATOM 406 O THR A 28 -7.919 -7.522 -3.141 1.00 0.00 O ATOM 407 CB THR A 28 -7.724 -8.406 -6.331 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.775 -9.654 -7.016 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.872 -7.516 -7.238 1.00 0.00 C ATOM 0 H THR A 28 -8.630 -9.767 -4.141 1.00 0.00 H new ATOM 0 HA THR A 28 -5.972 -8.921 -5.221 1.00 0.00 H new ATOM 0 HB THR A 28 -8.674 -7.911 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.900 -9.844 -7.415 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.414 -7.313 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.658 -6.576 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.936 -8.024 -7.471 1.00 0.00 H new ATOM 417 N VAL A 29 -6.078 -6.690 -4.156 1.00 0.00 N ATOM 418 CA VAL A 29 -5.974 -5.540 -3.274 1.00 0.00 C ATOM 419 C VAL A 29 -5.720 -4.283 -4.109 1.00 0.00 C ATOM 420 O VAL A 29 -4.615 -4.078 -4.607 1.00 0.00 O ATOM 421 CB VAL A 29 -4.894 -5.786 -2.218 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.685 -4.544 -1.349 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.233 -7.006 -1.360 1.00 0.00 C ATOM 0 H VAL A 29 -5.357 -6.742 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.908 -5.387 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.958 -5.993 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.913 -4.745 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.376 -3.708 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.617 -4.293 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.449 -7.158 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.185 -6.842 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.307 -7.888 -1.995 1.00 0.00 H new ATOM 433 N GLU A 30 -6.763 -3.475 -4.235 1.00 0.00 N ATOM 434 CA GLU A 30 -6.665 -2.244 -5.001 1.00 0.00 C ATOM 435 C GLU A 30 -5.999 -1.150 -4.165 1.00 0.00 C ATOM 436 O GLU A 30 -5.796 -1.318 -2.963 1.00 0.00 O ATOM 437 CB GLU A 30 -8.043 -1.795 -5.493 1.00 0.00 C ATOM 438 CG GLU A 30 -7.915 -0.748 -6.600 1.00 0.00 C ATOM 439 CD GLU A 30 -9.150 -0.751 -7.504 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.649 -1.863 -7.778 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.568 0.360 -7.898 1.00 0.00 O ATOM 0 H GLU A 30 -7.679 -3.648 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.045 -2.432 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.599 -2.656 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.613 -1.382 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.786 0.240 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.024 -0.950 -7.195 1.00 0.00 H new ATOM 448 N PHE A 31 -5.675 -0.052 -4.834 1.00 0.00 N ATOM 449 CA PHE A 31 -5.035 1.069 -4.167 1.00 0.00 C ATOM 450 C PHE A 31 -5.510 2.399 -4.754 1.00 0.00 C ATOM 451 O PHE A 31 -5.242 2.701 -5.916 1.00 0.00 O ATOM 452 CB PHE A 31 -3.529 0.929 -4.404 1.00 0.00 C ATOM 453 CG PHE A 31 -2.885 -0.229 -3.640 1.00 0.00 C ATOM 454 CD1 PHE A 31 -3.054 -1.507 -4.073 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.142 0.020 -2.528 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.454 -2.581 -3.364 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.543 -1.055 -1.819 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.713 -2.332 -2.252 1.00 0.00 C ATOM 0 H PHE A 31 -5.844 0.085 -5.831 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.283 1.062 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.350 0.791 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.038 1.859 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.644 -1.705 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.008 1.035 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.586 -3.596 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.953 -0.858 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.259 -3.150 -1.712 1.00 0.00 H new ATOM 468 N VAL A 32 -6.210 3.159 -3.925 1.00 0.00 N ATOM 469 CA VAL A 32 -6.725 4.450 -4.347 1.00 0.00 C ATOM 470 C VAL A 32 -6.103 5.551 -3.484 1.00 0.00 C ATOM 471 O VAL A 32 -5.838 5.340 -2.301 1.00 0.00 O ATOM 472 CB VAL A 32 -8.254 4.445 -4.298 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.757 4.480 -2.854 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.832 5.607 -5.108 1.00 0.00 C ATOM 0 H VAL A 32 -6.433 2.905 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.446 4.652 -5.381 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.600 3.516 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.847 4.476 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.388 3.605 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.395 5.384 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.920 5.580 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.472 6.551 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.516 5.519 -6.147 1.00 0.00 H new ATOM 484 N MET A 33 -5.890 6.699 -4.108 1.00 0.00 N ATOM 485 CA MET A 33 -5.304 7.832 -3.412 1.00 0.00 C ATOM 486 C MET A 33 -6.388 8.800 -2.931 1.00 0.00 C ATOM 487 O MET A 33 -7.141 9.344 -3.737 1.00 0.00 O ATOM 488 CB MET A 33 -4.343 8.567 -4.348 1.00 0.00 C ATOM 489 CG MET A 33 -3.095 9.032 -3.597 1.00 0.00 C ATOM 490 SD MET A 33 -2.260 10.305 -4.529 1.00 0.00 S ATOM 491 CE MET A 33 -3.341 11.688 -4.201 1.00 0.00 C ATOM 0 H MET A 33 -6.113 6.870 -5.089 1.00 0.00 H new ATOM 0 HA MET A 33 -4.763 7.459 -2.542 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.054 7.910 -5.168 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.847 9.426 -4.791 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.373 9.413 -2.614 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.423 8.189 -3.434 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.364 12.346 -5.070 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.347 11.323 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.972 12.241 -3.337 1.00 0.00 H new ATOM 501 N ASN A 34 -6.433 8.983 -1.619 1.00 0.00 N ATOM 502 CA ASN A 34 -7.412 9.876 -1.022 1.00 0.00 C ATOM 503 C ASN A 34 -6.947 11.324 -1.193 1.00 0.00 C ATOM 504 O ASN A 34 -7.579 12.102 -1.904 1.00 0.00 O ATOM 505 CB ASN A 34 -7.566 9.602 0.475 1.00 0.00 C ATOM 506 CG ASN A 34 -8.809 8.755 0.753 1.00 0.00 C ATOM 507 OD1 ASN A 34 -9.075 7.762 0.095 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.553 9.201 1.762 1.00 0.00 N ATOM 0 H ASN A 34 -5.808 8.528 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.368 9.710 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.680 9.087 0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.637 10.546 1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.404 8.705 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.272 10.039 2.271 1.00 0.00 H new ATOM 515 N LYS A 35 -5.846 11.640 -0.527 1.00 0.00 N ATOM 516 CA LYS A 35 -5.290 12.980 -0.597 1.00 0.00 C ATOM 517 C LYS A 35 -3.974 13.022 0.184 1.00 0.00 C ATOM 518 O LYS A 35 -3.441 11.981 0.565 1.00 0.00 O ATOM 519 CB LYS A 35 -6.316 14.012 -0.127 1.00 0.00 C ATOM 520 CG LYS A 35 -6.751 13.736 1.314 1.00 0.00 C ATOM 521 CD LYS A 35 -8.199 13.241 1.365 1.00 0.00 C ATOM 522 CE LYS A 35 -9.172 14.355 0.975 1.00 0.00 C ATOM 523 NZ LYS A 35 -9.768 14.083 -0.352 1.00 0.00 N ATOM 0 H LYS A 35 -5.325 10.992 0.063 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.059 13.243 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.889 15.012 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.186 13.991 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.092 12.991 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.652 14.645 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.322 12.393 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.431 12.886 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.960 14.436 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.650 15.312 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.787 14.960 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.198 13.369 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.738 13.729 -0.231 1.00 0.00 H new ATOM 537 N VAL A 36 -3.488 14.236 0.398 1.00 0.00 N ATOM 538 CA VAL A 36 -2.246 14.427 1.126 1.00 0.00 C ATOM 539 C VAL A 36 -1.091 13.829 0.321 1.00 0.00 C ATOM 540 O VAL A 36 -0.037 13.520 0.875 1.00 0.00 O ATOM 541 CB VAL A 36 -2.365 13.833 2.532 1.00 0.00 C ATOM 542 CG1 VAL A 36 -1.252 14.354 3.443 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.744 14.119 3.131 1.00 0.00 C ATOM 0 H VAL A 36 -3.932 15.097 0.080 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.038 15.489 1.253 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.252 12.752 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.360 13.917 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.283 14.078 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.319 15.439 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.804 13.687 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.898 15.196 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.514 13.678 2.498 1.00 0.00 H new ATOM 553 N GLY A 37 -1.327 13.685 -0.976 1.00 0.00 N ATOM 554 CA GLY A 37 -0.320 13.130 -1.863 1.00 0.00 C ATOM 555 C GLY A 37 0.784 14.151 -2.146 1.00 0.00 C ATOM 556 O GLY A 37 0.779 15.248 -1.590 1.00 0.00 O ATOM 0 H GLY A 37 -2.202 13.944 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.113 12.236 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.785 12.823 -2.800 1.00 0.00 H new ATOM 560 N PRO A 38 1.728 13.744 -3.036 1.00 0.00 N ATOM 561 CA PRO A 38 1.662 12.429 -3.650 1.00 0.00 C ATOM 562 C PRO A 38 2.075 11.339 -2.659 1.00 0.00 C ATOM 563 O PRO A 38 2.549 11.638 -1.564 1.00 0.00 O ATOM 564 CB PRO A 38 2.579 12.512 -4.859 1.00 0.00 C ATOM 565 CG PRO A 38 3.480 13.710 -4.617 1.00 0.00 C ATOM 566 CD PRO A 38 2.882 14.522 -3.480 1.00 0.00 C ATOM 0 HA PRO A 38 0.651 12.157 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.164 11.599 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.005 12.635 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.489 13.384 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.559 14.317 -5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.600 14.661 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.584 15.515 -3.816 1.00 0.00 H new ATOM 574 N HIS A 39 1.880 10.098 -3.078 1.00 0.00 N ATOM 575 CA HIS A 39 2.226 8.962 -2.241 1.00 0.00 C ATOM 576 C HIS A 39 2.927 7.896 -3.087 1.00 0.00 C ATOM 577 O HIS A 39 3.596 8.217 -4.067 1.00 0.00 O ATOM 578 CB HIS A 39 0.992 8.425 -1.514 1.00 0.00 C ATOM 579 CG HIS A 39 0.194 9.485 -0.794 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.579 10.015 0.426 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.970 10.110 -1.135 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.320 10.915 0.793 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.279 10.973 -0.175 1.00 0.00 N ATOM 0 H HIS A 39 1.487 9.854 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 39 2.923 9.277 -1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.346 7.926 -2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.307 7.670 -0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.543 9.933 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.298 11.501 1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.099 11.580 -0.163 1.00 0.00 H new ATOM 591 N ASN A 40 2.749 6.649 -2.675 1.00 0.00 N ATOM 592 CA ASN A 40 3.355 5.533 -3.382 1.00 0.00 C ATOM 593 C ASN A 40 2.952 4.224 -2.701 1.00 0.00 C ATOM 594 O ASN A 40 2.249 4.235 -1.693 1.00 0.00 O ATOM 595 CB ASN A 40 4.882 5.631 -3.357 1.00 0.00 C ATOM 596 CG ASN A 40 5.391 5.888 -1.938 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.999 6.832 -1.272 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.285 5.000 -1.514 1.00 0.00 N ATOM 0 H ASN A 40 2.194 6.387 -1.861 1.00 0.00 H new ATOM 0 HA ASN A 40 3.009 5.559 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.316 4.708 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.209 6.435 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.686 5.086 -0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.570 4.233 -2.123 1.00 0.00 H new ATOM 605 N VAL A 41 3.416 3.127 -3.281 1.00 0.00 N ATOM 606 CA VAL A 41 3.113 1.811 -2.742 1.00 0.00 C ATOM 607 C VAL A 41 4.406 1.001 -2.630 1.00 0.00 C ATOM 608 O VAL A 41 4.498 -0.105 -3.159 1.00 0.00 O ATOM 609 CB VAL A 41 2.051 1.126 -3.603 1.00 0.00 C ATOM 610 CG1 VAL A 41 1.916 -0.353 -3.233 1.00 0.00 C ATOM 611 CG2 VAL A 41 0.705 1.844 -3.490 1.00 0.00 C ATOM 0 H VAL A 41 3.999 3.122 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 41 2.695 1.895 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 41 2.375 1.184 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.154 -0.817 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.870 -0.856 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.627 -0.441 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.032 1.336 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.373 1.833 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.814 2.875 -3.825 1.00 0.00 H new ATOM 621 N ILE A 42 5.374 1.583 -1.936 1.00 0.00 N ATOM 622 CA ILE A 42 6.657 0.929 -1.748 1.00 0.00 C ATOM 623 C ILE A 42 6.554 -0.060 -0.586 1.00 0.00 C ATOM 624 O ILE A 42 6.734 0.315 0.572 1.00 0.00 O ATOM 625 CB ILE A 42 7.767 1.967 -1.575 1.00 0.00 C ATOM 626 CG1 ILE A 42 8.098 2.644 -2.907 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.005 1.344 -0.926 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.966 3.885 -2.691 1.00 0.00 C ATOM 0 H ILE A 42 5.295 2.500 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 42 6.925 0.354 -2.634 1.00 0.00 H new ATOM 0 HB ILE A 42 7.406 2.743 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.618 1.941 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.176 2.925 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.779 2.104 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.741 0.948 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.378 0.536 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.187 4.347 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.433 4.597 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.898 3.597 -2.205 1.00 0.00 H new ATOM 640 N PHE A 43 6.266 -1.306 -0.934 1.00 0.00 N ATOM 641 CA PHE A 43 6.137 -2.353 0.065 1.00 0.00 C ATOM 642 C PHE A 43 7.453 -2.557 0.818 1.00 0.00 C ATOM 643 O PHE A 43 8.531 -2.380 0.252 1.00 0.00 O ATOM 644 CB PHE A 43 5.785 -3.641 -0.679 1.00 0.00 C ATOM 645 CG PHE A 43 4.491 -3.556 -1.494 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.293 -3.782 -0.893 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.542 -3.255 -2.819 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.093 -3.701 -1.649 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.343 -3.175 -3.576 1.00 0.00 C ATOM 650 CZ PHE A 43 2.144 -3.400 -2.974 1.00 0.00 C ATOM 0 H PHE A 43 6.118 -1.614 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 43 5.371 -2.081 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.607 -3.899 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.695 -4.453 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.253 -4.023 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.494 -3.077 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.141 -3.878 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.383 -2.936 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.232 -3.339 -3.549 1.00 0.00 H new ATOM 660 N ASP A 44 7.323 -2.925 2.084 1.00 0.00 N ATOM 661 CA ASP A 44 8.488 -3.155 2.921 1.00 0.00 C ATOM 662 C ASP A 44 9.137 -4.484 2.530 1.00 0.00 C ATOM 663 O ASP A 44 10.323 -4.528 2.204 1.00 0.00 O ATOM 664 CB ASP A 44 8.099 -3.236 4.397 1.00 0.00 C ATOM 665 CG ASP A 44 9.127 -2.655 5.370 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.158 -3.332 5.578 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.860 -1.548 5.885 1.00 0.00 O ATOM 0 H ASP A 44 6.428 -3.070 2.551 1.00 0.00 H new ATOM 0 HA ASP A 44 9.177 -2.323 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.153 -2.713 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.927 -4.281 4.655 1.00 0.00 H new ATOM 672 N LYS A 45 8.332 -5.536 2.574 1.00 0.00 N ATOM 673 CA LYS A 45 8.813 -6.862 2.228 1.00 0.00 C ATOM 674 C LYS A 45 7.790 -7.905 2.683 1.00 0.00 C ATOM 675 O LYS A 45 7.104 -7.712 3.687 1.00 0.00 O ATOM 676 CB LYS A 45 10.215 -7.089 2.796 1.00 0.00 C ATOM 677 CG LYS A 45 11.259 -7.133 1.678 1.00 0.00 C ATOM 678 CD LYS A 45 12.422 -8.056 2.050 1.00 0.00 C ATOM 679 CE LYS A 45 13.688 -7.679 1.279 1.00 0.00 C ATOM 680 NZ LYS A 45 14.668 -8.788 1.316 1.00 0.00 N ATOM 0 H LYS A 45 7.349 -5.496 2.844 1.00 0.00 H new ATOM 0 HA LYS A 45 8.912 -6.961 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.461 -6.291 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.237 -8.024 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.795 -7.481 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.635 -6.128 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.612 -7.994 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.154 -9.090 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.435 -7.444 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.130 -6.781 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.521 -8.515 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.923 -8.993 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.249 -9.636 0.883 1.00 0.00 H new ATOM 694 N VAL A 46 7.719 -8.988 1.924 1.00 0.00 N ATOM 695 CA VAL A 46 6.791 -10.062 2.236 1.00 0.00 C ATOM 696 C VAL A 46 7.573 -11.362 2.442 1.00 0.00 C ATOM 697 O VAL A 46 8.781 -11.407 2.212 1.00 0.00 O ATOM 698 CB VAL A 46 5.729 -10.171 1.141 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.544 -8.833 0.422 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.076 -11.283 0.148 1.00 0.00 C ATOM 0 H VAL A 46 8.289 -9.145 1.093 1.00 0.00 H new ATOM 0 HA VAL A 46 6.261 -9.850 3.164 1.00 0.00 H new ATOM 0 HB VAL A 46 4.783 -10.430 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.783 -8.938 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.230 -8.075 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.487 -8.532 -0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.304 -11.339 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.037 -11.067 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.134 -12.236 0.674 1.00 0.00 H new ATOM 710 N PRO A 47 6.833 -12.413 2.885 1.00 0.00 N ATOM 711 CA PRO A 47 7.443 -13.709 3.124 1.00 0.00 C ATOM 712 C PRO A 47 7.740 -14.428 1.806 1.00 0.00 C ATOM 713 O PRO A 47 7.145 -14.115 0.777 1.00 0.00 O ATOM 714 CB PRO A 47 6.449 -14.458 3.997 1.00 0.00 C ATOM 715 CG PRO A 47 5.123 -13.735 3.831 1.00 0.00 C ATOM 716 CD PRO A 47 5.400 -12.397 3.167 1.00 0.00 C ATOM 0 HA PRO A 47 8.410 -13.632 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.367 -15.500 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.767 -14.457 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.439 -14.328 3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.645 -13.588 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.818 -12.280 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.134 -11.567 3.822 1.00 0.00 H new ATOM 724 N ALA A 48 8.659 -15.379 1.882 1.00 0.00 N ATOM 725 CA ALA A 48 9.042 -16.144 0.707 1.00 0.00 C ATOM 726 C ALA A 48 7.790 -16.500 -0.095 1.00 0.00 C ATOM 727 O ALA A 48 6.806 -16.984 0.464 1.00 0.00 O ATOM 728 CB ALA A 48 9.829 -17.383 1.139 1.00 0.00 C ATOM 0 H ALA A 48 9.149 -15.637 2.738 1.00 0.00 H new ATOM 0 HA ALA A 48 9.691 -15.554 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.116 -17.957 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.724 -17.075 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.208 -18.001 1.788 1.00 0.00 H new ATOM 734 N GLY A 49 7.864 -16.245 -1.393 1.00 0.00 N ATOM 735 CA GLY A 49 6.748 -16.532 -2.278 1.00 0.00 C ATOM 736 C GLY A 49 6.575 -15.425 -3.320 1.00 0.00 C ATOM 737 O GLY A 49 6.826 -15.639 -4.505 1.00 0.00 O ATOM 0 H GLY A 49 8.680 -15.842 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.913 -17.486 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.833 -16.633 -1.694 1.00 0.00 H new ATOM 741 N GLU A 50 6.150 -14.266 -2.840 1.00 0.00 N ATOM 742 CA GLU A 50 5.942 -13.125 -3.716 1.00 0.00 C ATOM 743 C GLU A 50 7.261 -12.384 -3.945 1.00 0.00 C ATOM 744 O GLU A 50 8.318 -12.844 -3.517 1.00 0.00 O ATOM 745 CB GLU A 50 4.877 -12.185 -3.146 1.00 0.00 C ATOM 746 CG GLU A 50 3.798 -11.883 -4.189 1.00 0.00 C ATOM 747 CD GLU A 50 3.983 -10.484 -4.780 1.00 0.00 C ATOM 748 OE1 GLU A 50 3.877 -9.517 -3.994 1.00 0.00 O ATOM 749 OE2 GLU A 50 4.226 -10.412 -6.003 1.00 0.00 O ATOM 0 H GLU A 50 5.944 -14.092 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 50 5.582 -13.490 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.421 -12.638 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.344 -11.255 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.839 -12.626 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.812 -11.961 -3.731 1.00 0.00 H new ATOM 756 N SER A 51 7.155 -11.250 -4.622 1.00 0.00 N ATOM 757 CA SER A 51 8.326 -10.441 -4.913 1.00 0.00 C ATOM 758 C SER A 51 8.094 -9.000 -4.456 1.00 0.00 C ATOM 759 O SER A 51 7.836 -8.119 -5.276 1.00 0.00 O ATOM 760 CB SER A 51 8.662 -10.476 -6.406 1.00 0.00 C ATOM 761 OG SER A 51 10.056 -10.671 -6.635 1.00 0.00 O ATOM 0 H SER A 51 6.276 -10.873 -4.977 1.00 0.00 H new ATOM 0 HA SER A 51 9.173 -10.857 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.100 -11.278 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.345 -9.542 -6.871 1.00 0.00 H new ATOM 0 HG SER A 51 10.230 -10.689 -7.599 1.00 0.00 H new ATOM 767 N ALA A 52 8.195 -8.803 -3.150 1.00 0.00 N ATOM 768 CA ALA A 52 7.998 -7.483 -2.574 1.00 0.00 C ATOM 769 C ALA A 52 8.820 -6.462 -3.361 1.00 0.00 C ATOM 770 O ALA A 52 8.301 -5.424 -3.771 1.00 0.00 O ATOM 771 CB ALA A 52 8.371 -7.514 -1.091 1.00 0.00 C ATOM 0 H ALA A 52 8.411 -9.535 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 52 6.951 -7.186 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.224 -6.525 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.739 -8.235 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.416 -7.805 -0.985 1.00 0.00 H new ATOM 777 N PRO A 53 10.124 -6.798 -3.555 1.00 0.00 N ATOM 778 CA PRO A 53 11.023 -5.921 -4.284 1.00 0.00 C ATOM 779 C PRO A 53 10.748 -5.984 -5.789 1.00 0.00 C ATOM 780 O PRO A 53 11.666 -6.185 -6.583 1.00 0.00 O ATOM 781 CB PRO A 53 12.420 -6.394 -3.916 1.00 0.00 C ATOM 782 CG PRO A 53 12.251 -7.801 -3.366 1.00 0.00 C ATOM 783 CD PRO A 53 10.774 -8.018 -3.083 1.00 0.00 C ATOM 0 HA PRO A 53 10.891 -4.871 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.076 -6.391 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.873 -5.736 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.614 -8.537 -4.083 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.836 -7.927 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.395 -8.896 -3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.593 -8.177 -2.020 1.00 0.00 H new ATOM 791 N ALA A 54 9.482 -5.809 -6.134 1.00 0.00 N ATOM 792 CA ALA A 54 9.074 -5.843 -7.529 1.00 0.00 C ATOM 793 C ALA A 54 7.758 -5.080 -7.690 1.00 0.00 C ATOM 794 O ALA A 54 7.611 -4.279 -8.613 1.00 0.00 O ATOM 795 CB ALA A 54 8.966 -7.297 -7.993 1.00 0.00 C ATOM 0 H ALA A 54 8.724 -5.643 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 54 9.817 -5.354 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.660 -7.323 -9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.934 -7.786 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.227 -7.819 -7.385 1.00 0.00 H new ATOM 801 N LEU A 55 6.837 -5.352 -6.779 1.00 0.00 N ATOM 802 CA LEU A 55 5.538 -4.701 -6.808 1.00 0.00 C ATOM 803 C LEU A 55 5.700 -3.234 -6.407 1.00 0.00 C ATOM 804 O LEU A 55 4.997 -2.365 -6.921 1.00 0.00 O ATOM 805 CB LEU A 55 4.535 -5.468 -5.945 1.00 0.00 C ATOM 806 CG LEU A 55 3.803 -6.622 -6.634 1.00 0.00 C ATOM 807 CD1 LEU A 55 2.963 -7.415 -5.631 1.00 0.00 C ATOM 808 CD2 LEU A 55 2.964 -6.117 -7.810 1.00 0.00 C ATOM 0 H LEU A 55 6.964 -6.015 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 55 5.128 -4.713 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.061 -5.864 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.792 -4.763 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 55 4.549 -7.304 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.453 -8.229 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.612 -7.825 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.225 -6.756 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.455 -6.958 -8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.225 -5.401 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.614 -5.632 -8.538 1.00 0.00 H new ATOM 820 N SER A 56 6.630 -3.002 -5.492 1.00 0.00 N ATOM 821 CA SER A 56 6.893 -1.655 -5.016 1.00 0.00 C ATOM 822 C SER A 56 7.170 -0.726 -6.200 1.00 0.00 C ATOM 823 O SER A 56 7.889 -1.094 -7.127 1.00 0.00 O ATOM 824 CB SER A 56 8.071 -1.636 -4.039 1.00 0.00 C ATOM 825 OG SER A 56 8.984 -2.701 -4.285 1.00 0.00 O ATOM 0 H SER A 56 7.211 -3.725 -5.068 1.00 0.00 H new ATOM 0 HA SER A 56 6.009 -1.302 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.594 -0.683 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.697 -1.708 -3.018 1.00 0.00 H new ATOM 0 HG SER A 56 8.624 -3.533 -3.914 1.00 0.00 H new ATOM 831 N ASN A 57 6.583 0.460 -6.130 1.00 0.00 N ATOM 832 CA ASN A 57 6.758 1.444 -7.184 1.00 0.00 C ATOM 833 C ASN A 57 6.954 2.827 -6.558 1.00 0.00 C ATOM 834 O ASN A 57 6.000 3.436 -6.078 1.00 0.00 O ATOM 835 CB ASN A 57 5.526 1.506 -8.090 1.00 0.00 C ATOM 836 CG ASN A 57 4.281 1.911 -7.296 1.00 0.00 C ATOM 837 OD1 ASN A 57 4.098 1.539 -6.149 1.00 0.00 O ATOM 838 ND2 ASN A 57 3.440 2.690 -7.970 1.00 0.00 N ATOM 0 H ASN A 57 5.986 0.761 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 57 7.627 1.154 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.697 2.221 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.364 0.534 -8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.579 3.014 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.656 2.964 -8.929 1.00 0.00 H new ATOM 845 N THR A 58 8.199 3.281 -6.584 1.00 0.00 N ATOM 846 CA THR A 58 8.532 4.581 -6.024 1.00 0.00 C ATOM 847 C THR A 58 7.871 5.696 -6.836 1.00 0.00 C ATOM 848 O THR A 58 7.738 6.821 -6.359 1.00 0.00 O ATOM 849 CB THR A 58 10.057 4.693 -5.968 1.00 0.00 C ATOM 850 OG1 THR A 58 10.289 5.984 -5.411 1.00 0.00 O ATOM 851 CG2 THR A 58 10.691 4.766 -7.357 1.00 0.00 C ATOM 0 H THR A 58 8.988 2.773 -6.983 1.00 0.00 H new ATOM 0 HA THR A 58 8.145 4.687 -5.010 1.00 0.00 H new ATOM 0 HB THR A 58 10.464 3.837 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.254 6.140 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.774 4.844 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.442 3.866 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.310 5.640 -7.885 1.00 0.00 H new ATOM 859 N LYS A 59 7.473 5.345 -8.051 1.00 0.00 N ATOM 860 CA LYS A 59 6.829 6.303 -8.933 1.00 0.00 C ATOM 861 C LYS A 59 5.646 6.944 -8.207 1.00 0.00 C ATOM 862 O LYS A 59 4.531 6.426 -8.251 1.00 0.00 O ATOM 863 CB LYS A 59 6.450 5.640 -10.259 1.00 0.00 C ATOM 864 CG LYS A 59 6.197 6.688 -11.345 1.00 0.00 C ATOM 865 CD LYS A 59 5.150 6.199 -12.346 1.00 0.00 C ATOM 866 CE LYS A 59 4.901 7.244 -13.434 1.00 0.00 C ATOM 867 NZ LYS A 59 3.891 6.757 -14.401 1.00 0.00 N ATOM 0 H LYS A 59 7.584 4.411 -8.445 1.00 0.00 H new ATOM 0 HA LYS A 59 7.519 7.107 -9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.249 4.969 -10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.557 5.030 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.860 7.618 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.128 6.909 -11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.485 5.267 -12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.217 5.982 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.560 8.175 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.833 7.465 -13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.734 7.479 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.231 5.881 -14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.997 6.568 -13.904 1.00 0.00 H new ATOM 881 N LEU A 60 5.927 8.062 -7.554 1.00 0.00 N ATOM 882 CA LEU A 60 4.901 8.780 -6.818 1.00 0.00 C ATOM 883 C LEU A 60 3.764 9.153 -7.772 1.00 0.00 C ATOM 884 O LEU A 60 3.926 10.023 -8.626 1.00 0.00 O ATOM 885 CB LEU A 60 5.505 9.977 -6.083 1.00 0.00 C ATOM 886 CG LEU A 60 6.688 9.670 -5.162 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.667 10.846 -5.118 1.00 0.00 C ATOM 888 CD2 LEU A 60 6.208 9.270 -3.766 1.00 0.00 C ATOM 0 H LEU A 60 6.853 8.489 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 60 4.473 8.144 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.827 10.709 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.721 10.448 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 60 7.228 8.816 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.499 10.603 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.046 11.041 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.154 11.733 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.069 9.057 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.631 10.086 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.582 8.381 -3.838 1.00 0.00 H new ATOM 900 N ALA A 61 2.638 8.478 -7.594 1.00 0.00 N ATOM 901 CA ALA A 61 1.475 8.728 -8.428 1.00 0.00 C ATOM 902 C ALA A 61 0.885 10.095 -8.075 1.00 0.00 C ATOM 903 O ALA A 61 0.173 10.230 -7.081 1.00 0.00 O ATOM 904 CB ALA A 61 0.464 7.593 -8.249 1.00 0.00 C ATOM 0 H ALA A 61 2.506 7.758 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 61 1.756 8.751 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.408 7.781 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.923 6.648 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.157 7.541 -7.204 1.00 0.00 H new ATOM 910 N ILE A 62 1.202 11.075 -8.908 1.00 0.00 N ATOM 911 CA ILE A 62 0.713 12.426 -8.697 1.00 0.00 C ATOM 912 C ILE A 62 -0.766 12.495 -9.083 1.00 0.00 C ATOM 913 O ILE A 62 -1.599 12.932 -8.290 1.00 0.00 O ATOM 914 CB ILE A 62 1.589 13.436 -9.440 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.074 13.161 -9.191 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.203 14.870 -9.074 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.437 13.394 -7.724 1.00 0.00 C ATOM 0 H ILE A 62 1.793 10.960 -9.732 1.00 0.00 H new ATOM 0 HA ILE A 62 0.781 12.694 -7.643 1.00 0.00 H new ATOM 0 HB ILE A 62 1.414 13.318 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.308 12.133 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.679 13.808 -9.826 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.841 15.568 -9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.162 15.046 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.331 15.019 -8.002 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.498 13.191 -7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.224 14.429 -7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.848 12.728 -7.093 1.00 0.00 H new ATOM 929 N ALA A 63 -1.048 12.055 -10.300 1.00 0.00 N ATOM 930 CA ALA A 63 -2.412 12.061 -10.802 1.00 0.00 C ATOM 931 C ALA A 63 -3.277 11.157 -9.921 1.00 0.00 C ATOM 932 O ALA A 63 -3.112 9.938 -9.924 1.00 0.00 O ATOM 933 CB ALA A 63 -2.419 11.625 -12.268 1.00 0.00 C ATOM 0 H ALA A 63 -0.355 11.692 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.833 13.066 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.442 11.630 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.813 12.315 -12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.007 10.619 -12.350 1.00 0.00 H new ATOM 939 N PRO A 64 -4.206 11.806 -9.169 1.00 0.00 N ATOM 940 CA PRO A 64 -5.097 11.075 -8.285 1.00 0.00 C ATOM 941 C PRO A 64 -6.191 10.360 -9.080 1.00 0.00 C ATOM 942 O PRO A 64 -6.424 10.675 -10.247 1.00 0.00 O ATOM 943 CB PRO A 64 -5.647 12.120 -7.327 1.00 0.00 C ATOM 944 CG PRO A 64 -5.407 13.464 -7.996 1.00 0.00 C ATOM 945 CD PRO A 64 -4.430 13.249 -9.139 1.00 0.00 C ATOM 0 HA PRO A 64 -4.588 10.281 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.709 11.960 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.144 12.069 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.344 13.878 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.004 14.180 -7.280 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.841 13.606 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.499 13.791 -8.971 1.00 0.00 H new ATOM 953 N GLY A 65 -6.836 9.410 -8.417 1.00 0.00 N ATOM 954 CA GLY A 65 -7.899 8.647 -9.048 1.00 0.00 C ATOM 955 C GLY A 65 -7.921 7.206 -8.533 1.00 0.00 C ATOM 956 O GLY A 65 -8.896 6.776 -7.919 1.00 0.00 O ATOM 0 H GLY A 65 -6.642 9.152 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.860 9.122 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.760 8.648 -10.129 1.00 0.00 H new ATOM 960 N SER A 66 -6.832 6.499 -8.802 1.00 0.00 N ATOM 961 CA SER A 66 -6.714 5.116 -8.374 1.00 0.00 C ATOM 962 C SER A 66 -5.432 4.502 -8.940 1.00 0.00 C ATOM 963 O SER A 66 -5.386 4.120 -10.109 1.00 0.00 O ATOM 964 CB SER A 66 -7.931 4.299 -8.808 1.00 0.00 C ATOM 965 OG SER A 66 -8.579 3.676 -7.702 1.00 0.00 O ATOM 0 H SER A 66 -6.024 6.859 -9.311 1.00 0.00 H new ATOM 0 HA SER A 66 -6.669 5.097 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.638 4.949 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.620 3.537 -9.522 1.00 0.00 H new ATOM 0 HG SER A 66 -9.352 3.165 -8.021 1.00 0.00 H new ATOM 971 N PHE A 67 -4.423 4.425 -8.086 1.00 0.00 N ATOM 972 CA PHE A 67 -3.144 3.863 -8.487 1.00 0.00 C ATOM 973 C PHE A 67 -3.339 2.665 -9.417 1.00 0.00 C ATOM 974 O PHE A 67 -3.104 2.764 -10.621 1.00 0.00 O ATOM 975 CB PHE A 67 -2.442 3.394 -7.210 1.00 0.00 C ATOM 976 CG PHE A 67 -1.338 4.335 -6.726 1.00 0.00 C ATOM 977 CD1 PHE A 67 -1.658 5.445 -6.007 1.00 0.00 C ATOM 978 CD2 PHE A 67 -0.036 4.062 -7.014 1.00 0.00 C ATOM 979 CE1 PHE A 67 -0.632 6.319 -5.557 1.00 0.00 C ATOM 980 CE2 PHE A 67 0.988 4.936 -6.562 1.00 0.00 C ATOM 981 CZ PHE A 67 0.669 6.046 -5.844 1.00 0.00 C ATOM 0 H PHE A 67 -4.465 4.742 -7.118 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.559 4.612 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.184 3.284 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.013 2.407 -7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.691 5.662 -5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.218 3.182 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.885 7.200 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.021 4.719 -6.789 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.449 6.711 -5.502 1.00 0.00 H new ATOM 991 N TYR A 68 -3.767 1.559 -8.824 1.00 0.00 N ATOM 992 CA TYR A 68 -3.996 0.343 -9.585 1.00 0.00 C ATOM 993 C TYR A 68 -4.323 -0.830 -8.658 1.00 0.00 C ATOM 994 O TYR A 68 -4.247 -0.701 -7.438 1.00 0.00 O ATOM 995 CB TYR A 68 -2.685 0.049 -10.317 1.00 0.00 C ATOM 996 CG TYR A 68 -1.435 0.242 -9.455 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.260 -0.515 -8.315 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.483 1.173 -9.819 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.084 -0.333 -7.503 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.692 1.355 -9.008 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.834 0.592 -7.890 1.00 0.00 C ATOM 1002 OH TYR A 68 1.945 0.764 -7.124 1.00 0.00 O ATOM 0 H TYR A 68 -3.961 1.480 -7.826 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.836 0.470 -10.268 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.707 -0.978 -10.683 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.615 0.697 -11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.005 -1.244 -8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.620 1.765 -10.712 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.065 -0.918 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.444 2.081 -9.280 1.00 0.00 H new ATOM 0 HH TYR A 68 2.172 -0.081 -6.682 1.00 0.00 H new ATOM 1012 N SER A 69 -4.681 -1.947 -9.275 1.00 0.00 N ATOM 1013 CA SER A 69 -5.020 -3.142 -8.521 1.00 0.00 C ATOM 1014 C SER A 69 -4.030 -4.263 -8.844 1.00 0.00 C ATOM 1015 O SER A 69 -3.399 -4.253 -9.900 1.00 0.00 O ATOM 1016 CB SER A 69 -6.451 -3.594 -8.820 1.00 0.00 C ATOM 1017 OG SER A 69 -7.234 -2.547 -9.386 1.00 0.00 O ATOM 0 H SER A 69 -4.744 -2.049 -10.288 1.00 0.00 H new ATOM 0 HA SER A 69 -4.957 -2.906 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.428 -4.441 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.921 -3.942 -7.900 1.00 0.00 H new ATOM 0 HG SER A 69 -8.140 -2.876 -9.564 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.927 -5.203 -7.916 1.00 0.00 N ATOM 1024 CA VAL A 70 -3.024 -6.329 -8.089 1.00 0.00 C ATOM 1025 C VAL A 70 -3.541 -7.520 -7.279 1.00 0.00 C ATOM 1026 O VAL A 70 -3.993 -7.355 -6.146 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.599 -5.921 -7.710 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.934 -5.138 -8.844 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.588 -5.118 -6.407 1.00 0.00 C ATOM 0 H VAL A 70 -4.453 -5.208 -7.042 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.992 -6.636 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.020 -6.830 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.078 -4.860 -8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.894 -5.758 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.512 -4.237 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.563 -4.840 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.189 -4.217 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.004 -5.724 -5.602 1.00 0.00 H new ATOM 1039 N THR A 71 -3.457 -8.692 -7.890 1.00 0.00 N ATOM 1040 CA THR A 71 -3.910 -9.909 -7.240 1.00 0.00 C ATOM 1041 C THR A 71 -2.742 -10.607 -6.540 1.00 0.00 C ATOM 1042 O THR A 71 -1.708 -10.861 -7.156 1.00 0.00 O ATOM 1043 CB THR A 71 -4.595 -10.781 -8.294 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.904 -10.229 -8.404 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.835 -12.211 -7.805 1.00 0.00 C ATOM 0 H THR A 71 -3.082 -8.825 -8.829 1.00 0.00 H new ATOM 0 HA THR A 71 -4.635 -9.692 -6.456 1.00 0.00 H new ATOM 0 HB THR A 71 -3.986 -10.803 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.417 -10.735 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.323 -12.787 -8.591 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.881 -12.675 -7.554 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.472 -12.191 -6.921 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.946 -10.896 -5.263 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.923 -11.559 -4.473 1.00 0.00 C ATOM 1055 C LEU A 72 -2.273 -13.042 -4.335 1.00 0.00 C ATOM 1056 O LEU A 72 -3.359 -13.467 -4.727 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.734 -10.845 -3.134 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.065 -9.470 -3.195 1.00 0.00 C ATOM 1059 CD1 LEU A 72 0.459 -9.602 -3.221 1.00 0.00 C ATOM 1060 CD2 LEU A 72 -1.590 -8.657 -4.381 1.00 0.00 C ATOM 0 H LEU A 72 -3.805 -10.683 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.958 -11.504 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.711 -10.731 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.141 -11.487 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.325 -8.923 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.909 -8.610 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.795 -10.114 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.760 -10.176 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.099 -7.684 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.380 -9.189 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.666 -8.518 -4.279 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.331 -13.789 -3.777 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.527 -15.216 -3.582 1.00 0.00 C ATOM 1074 C GLY A 73 -0.722 -15.721 -2.383 1.00 0.00 C ATOM 1075 O GLY A 73 -1.293 -16.172 -1.392 1.00 0.00 O ATOM 0 H GLY A 73 -0.431 -13.433 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.586 -15.423 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.225 -15.754 -4.480 1.00 0.00 H new ATOM 1079 N THR A 74 0.594 -15.628 -2.513 1.00 0.00 N ATOM 1080 CA THR A 74 1.484 -16.070 -1.453 1.00 0.00 C ATOM 1081 C THR A 74 0.909 -15.698 -0.085 1.00 0.00 C ATOM 1082 O THR A 74 0.541 -14.547 0.147 1.00 0.00 O ATOM 1083 CB THR A 74 2.866 -15.468 -1.715 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.350 -16.188 -2.845 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.868 -15.799 -0.606 1.00 0.00 C ATOM 0 H THR A 74 1.065 -15.253 -3.336 1.00 0.00 H new ATOM 0 HA THR A 74 1.582 -17.156 -1.445 1.00 0.00 H new ATOM 0 HB THR A 74 2.778 -14.386 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.814 -15.573 -3.450 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.832 -15.348 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.504 -15.404 0.343 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.982 -16.880 -0.529 1.00 0.00 H new ATOM 1093 N PRO A 75 0.849 -16.720 0.810 1.00 0.00 N ATOM 1094 CA PRO A 75 0.324 -16.512 2.149 1.00 0.00 C ATOM 1095 C PRO A 75 1.332 -15.762 3.023 1.00 0.00 C ATOM 1096 O PRO A 75 2.536 -16.002 2.933 1.00 0.00 O ATOM 1097 CB PRO A 75 0.010 -17.905 2.670 1.00 0.00 C ATOM 1098 CG PRO A 75 0.797 -18.865 1.792 1.00 0.00 C ATOM 1099 CD PRO A 75 1.275 -18.096 0.573 1.00 0.00 C ATOM 0 HA PRO A 75 -0.569 -15.887 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.300 -18.005 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.059 -18.111 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.645 -19.276 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.173 -19.707 1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.357 -18.162 0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.837 -18.494 -0.342 1.00 0.00 H new ATOM 1107 N GLY A 76 0.804 -14.870 3.846 1.00 0.00 N ATOM 1108 CA GLY A 76 1.643 -14.082 4.735 1.00 0.00 C ATOM 1109 C GLY A 76 1.073 -12.675 4.922 1.00 0.00 C ATOM 1110 O GLY A 76 0.019 -12.351 4.380 1.00 0.00 O ATOM 0 H GLY A 76 -0.195 -14.674 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.721 -14.578 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.652 -14.018 4.327 1.00 0.00 H new ATOM 1114 N THR A 77 1.798 -11.876 5.692 1.00 0.00 N ATOM 1115 CA THR A 77 1.379 -10.510 5.958 1.00 0.00 C ATOM 1116 C THR A 77 2.313 -9.520 5.262 1.00 0.00 C ATOM 1117 O THR A 77 3.480 -9.396 5.632 1.00 0.00 O ATOM 1118 CB THR A 77 1.314 -10.322 7.475 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.292 -11.221 7.894 1.00 0.00 O ATOM 1120 CG2 THR A 77 0.783 -8.942 7.872 1.00 0.00 C ATOM 0 H THR A 77 2.673 -12.149 6.140 1.00 0.00 H new ATOM 0 HA THR A 77 0.388 -10.314 5.549 1.00 0.00 H new ATOM 0 HB THR A 77 2.307 -10.465 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.185 -11.165 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.757 -8.861 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.437 -8.170 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.223 -8.811 7.474 1.00 0.00 H new ATOM 1128 N TYR A 78 1.767 -8.841 4.264 1.00 0.00 N ATOM 1129 CA TYR A 78 2.538 -7.865 3.512 1.00 0.00 C ATOM 1130 C TYR A 78 2.550 -6.510 4.223 1.00 0.00 C ATOM 1131 O TYR A 78 1.518 -6.054 4.714 1.00 0.00 O ATOM 1132 CB TYR A 78 1.829 -7.714 2.165 1.00 0.00 C ATOM 1133 CG TYR A 78 2.011 -8.911 1.229 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.619 -10.171 1.634 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.567 -8.731 -0.022 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.791 -11.296 0.754 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.739 -9.856 -0.902 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.342 -11.083 -0.471 1.00 0.00 C ATOM 1139 OH TYR A 78 2.504 -12.147 -1.304 1.00 0.00 O ATOM 0 H TYR A 78 0.800 -8.947 3.958 1.00 0.00 H new ATOM 0 HA TYR A 78 3.572 -8.193 3.406 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.764 -7.562 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.201 -6.818 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.183 -10.312 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.873 -7.745 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.489 -12.287 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.174 -9.729 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 78 1.702 -12.255 -1.856 1.00 0.00 H new ATOM 1149 N SER A 79 3.728 -5.904 4.254 1.00 0.00 N ATOM 1150 CA SER A 79 3.888 -4.611 4.897 1.00 0.00 C ATOM 1151 C SER A 79 4.400 -3.584 3.884 1.00 0.00 C ATOM 1152 O SER A 79 5.263 -3.893 3.065 1.00 0.00 O ATOM 1153 CB SER A 79 4.841 -4.702 6.089 1.00 0.00 C ATOM 1154 OG SER A 79 5.735 -5.806 5.975 1.00 0.00 O ATOM 0 H SER A 79 4.581 -6.285 3.844 1.00 0.00 H new ATOM 0 HA SER A 79 2.915 -4.291 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.414 -3.778 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.263 -4.797 7.009 1.00 0.00 H new ATOM 0 HG SER A 79 6.328 -5.828 6.755 1.00 0.00 H new ATOM 1160 N PHE A 80 3.847 -2.384 3.975 1.00 0.00 N ATOM 1161 CA PHE A 80 4.237 -1.310 3.078 1.00 0.00 C ATOM 1162 C PHE A 80 4.319 0.024 3.823 1.00 0.00 C ATOM 1163 O PHE A 80 3.887 0.127 4.970 1.00 0.00 O ATOM 1164 CB PHE A 80 3.156 -1.212 1.999 1.00 0.00 C ATOM 1165 CG PHE A 80 1.754 -1.578 2.489 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.475 -2.856 2.864 1.00 0.00 C ATOM 1167 CD2 PHE A 80 0.785 -0.626 2.550 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.174 -3.195 3.318 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.517 -0.965 3.004 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.795 -2.242 3.379 1.00 0.00 C ATOM 0 H PHE A 80 3.131 -2.132 4.657 1.00 0.00 H new ATOM 0 HA PHE A 80 5.218 -1.519 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.139 -0.195 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.423 -1.868 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.244 -3.613 2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.006 0.389 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.047 -4.210 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.286 -0.209 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.785 -2.500 3.725 1.00 0.00 H new ATOM 1180 N TYR A 81 4.875 1.014 3.139 1.00 0.00 N ATOM 1181 CA TYR A 81 5.019 2.338 3.722 1.00 0.00 C ATOM 1182 C TYR A 81 5.181 3.401 2.634 1.00 0.00 C ATOM 1183 O TYR A 81 5.522 3.082 1.496 1.00 0.00 O ATOM 1184 CB TYR A 81 6.293 2.291 4.566 1.00 0.00 C ATOM 1185 CG TYR A 81 7.553 1.941 3.773 1.00 0.00 C ATOM 1186 CD1 TYR A 81 8.061 2.837 2.853 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.183 0.730 3.975 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.247 2.509 2.106 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.370 0.401 3.229 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.843 1.307 2.330 1.00 0.00 C ATOM 1191 OH TYR A 81 10.963 0.996 1.624 1.00 0.00 O ATOM 0 H TYR A 81 5.231 0.926 2.187 1.00 0.00 H new ATOM 0 HA TYR A 81 4.138 2.597 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.435 3.260 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.162 1.558 5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.568 3.785 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.785 0.028 4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.654 3.201 1.384 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.873 -0.543 3.379 1.00 0.00 H new ATOM 0 HH TYR A 81 11.280 0.107 1.889 1.00 0.00 H new ATOM 1201 N CYS A 82 4.930 4.642 3.022 1.00 0.00 N ATOM 1202 CA CYS A 82 5.044 5.755 2.093 1.00 0.00 C ATOM 1203 C CYS A 82 6.520 6.144 1.989 1.00 0.00 C ATOM 1204 O CYS A 82 7.282 5.961 2.937 1.00 0.00 O ATOM 1205 CB CYS A 82 4.170 6.937 2.518 1.00 0.00 C ATOM 1206 SG CYS A 82 3.405 7.860 1.135 1.00 0.00 S ATOM 0 H CYS A 82 4.648 4.902 3.967 1.00 0.00 H new ATOM 0 HA CYS A 82 4.679 5.453 1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.380 6.570 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.776 7.627 3.106 1.00 0.00 H new ATOM 1211 N THR A 83 6.880 6.671 0.829 1.00 0.00 N ATOM 1212 CA THR A 83 8.250 7.088 0.588 1.00 0.00 C ATOM 1213 C THR A 83 8.512 8.455 1.224 1.00 0.00 C ATOM 1214 O THR A 83 9.450 8.612 2.003 1.00 0.00 O ATOM 1215 CB THR A 83 8.494 7.063 -0.922 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.325 5.923 -1.121 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.353 8.238 -1.396 1.00 0.00 C ATOM 0 H THR A 83 6.245 6.819 0.044 1.00 0.00 H new ATOM 0 HA THR A 83 8.959 6.406 1.057 1.00 0.00 H new ATOM 0 HB THR A 83 7.537 7.079 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.000 6.125 -1.803 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.496 8.172 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.853 9.176 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.322 8.204 -0.899 1.00 0.00 H new ATOM 1225 N PRO A 84 7.643 9.435 0.857 1.00 0.00 N ATOM 1226 CA PRO A 84 7.771 10.784 1.382 1.00 0.00 C ATOM 1227 C PRO A 84 7.292 10.854 2.832 1.00 0.00 C ATOM 1228 O PRO A 84 7.907 11.523 3.661 1.00 0.00 O ATOM 1229 CB PRO A 84 6.950 11.652 0.442 1.00 0.00 C ATOM 1230 CG PRO A 84 6.020 10.702 -0.297 1.00 0.00 C ATOM 1231 CD PRO A 84 6.521 9.285 -0.065 1.00 0.00 C ATOM 0 HA PRO A 84 8.805 11.126 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.384 12.401 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.593 12.190 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.998 10.810 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.006 10.933 -1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.741 8.654 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.835 8.818 -0.999 1.00 0.00 H new ATOM 1239 N HIS A 85 6.197 10.155 3.096 1.00 0.00 N ATOM 1240 CA HIS A 85 5.629 10.131 4.433 1.00 0.00 C ATOM 1241 C HIS A 85 6.201 8.945 5.212 1.00 0.00 C ATOM 1242 O HIS A 85 5.504 8.335 6.022 1.00 0.00 O ATOM 1243 CB HIS A 85 4.101 10.118 4.373 1.00 0.00 C ATOM 1244 CG HIS A 85 3.503 11.310 3.663 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.896 11.218 2.423 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.427 12.621 4.034 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.477 12.425 2.072 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.808 13.293 3.071 1.00 0.00 N ATOM 0 H HIS A 85 5.689 9.601 2.407 1.00 0.00 H new ATOM 0 HA HIS A 85 5.907 11.040 4.967 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.775 9.208 3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.708 10.079 5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.806 13.040 4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.964 12.677 1.156 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.612 14.294 3.077 1.00 0.00 H new ATOM 1256 N ARG A 86 7.465 8.655 4.940 1.00 0.00 N ATOM 1257 CA ARG A 86 8.139 7.552 5.606 1.00 0.00 C ATOM 1258 C ARG A 86 8.346 7.873 7.088 1.00 0.00 C ATOM 1259 O ARG A 86 8.562 6.974 7.898 1.00 0.00 O ATOM 1260 CB ARG A 86 9.497 7.266 4.960 1.00 0.00 C ATOM 1261 CG ARG A 86 9.637 5.782 4.615 1.00 0.00 C ATOM 1262 CD ARG A 86 10.396 5.594 3.300 1.00 0.00 C ATOM 1263 NE ARG A 86 11.821 5.307 3.574 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.288 4.108 3.949 1.00 0.00 C ATOM 1265 NH1 ARG A 86 11.444 3.077 4.096 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.597 3.939 4.177 1.00 0.00 N ATOM 0 H ARG A 86 8.040 9.164 4.268 1.00 0.00 H new ATOM 0 HA ARG A 86 7.508 6.669 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.608 7.865 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.297 7.562 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.162 5.266 5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.649 5.328 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.955 4.776 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.309 6.492 2.689 1.00 0.00 H new ATOM 0 HE ARG A 86 12.490 6.070 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.447 3.205 3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.799 2.164 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.240 4.723 4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.951 3.026 4.462 1.00 0.00 H new ATOM 1280 N GLY A 87 8.270 9.160 7.397 1.00 0.00 N ATOM 1281 CA GLY A 87 8.445 9.611 8.768 1.00 0.00 C ATOM 1282 C GLY A 87 7.104 9.991 9.396 1.00 0.00 C ATOM 1283 O GLY A 87 6.942 9.922 10.613 1.00 0.00 O ATOM 0 H GLY A 87 8.090 9.904 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.916 8.823 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.117 10.469 8.789 1.00 0.00 H new ATOM 1287 N ALA A 88 6.174 10.384 8.537 1.00 0.00 N ATOM 1288 CA ALA A 88 4.851 10.775 8.993 1.00 0.00 C ATOM 1289 C ALA A 88 4.162 9.571 9.639 1.00 0.00 C ATOM 1290 O ALA A 88 3.251 9.733 10.448 1.00 0.00 O ATOM 1291 CB ALA A 88 4.052 11.341 7.817 1.00 0.00 C ATOM 0 H ALA A 88 6.311 10.440 7.528 1.00 0.00 H new ATOM 0 HA ALA A 88 4.922 11.559 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.059 11.634 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.568 12.211 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.958 10.581 7.041 1.00 0.00 H new ATOM 1297 N GLY A 89 4.625 8.389 9.256 1.00 0.00 N ATOM 1298 CA GLY A 89 4.065 7.158 9.789 1.00 0.00 C ATOM 1299 C GLY A 89 2.937 6.638 8.895 1.00 0.00 C ATOM 1300 O GLY A 89 1.826 6.404 9.367 1.00 0.00 O ATOM 0 H GLY A 89 5.381 8.258 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.847 6.403 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.685 7.333 10.796 1.00 0.00 H new ATOM 1304 N MET A 90 3.263 6.473 7.621 1.00 0.00 N ATOM 1305 CA MET A 90 2.291 5.985 6.658 1.00 0.00 C ATOM 1306 C MET A 90 2.623 4.558 6.219 1.00 0.00 C ATOM 1307 O MET A 90 3.218 4.352 5.163 1.00 0.00 O ATOM 1308 CB MET A 90 2.276 6.906 5.436 1.00 0.00 C ATOM 1309 CG MET A 90 1.330 8.088 5.652 1.00 0.00 C ATOM 1310 SD MET A 90 0.507 8.498 4.121 1.00 0.00 S ATOM 1311 CE MET A 90 -0.154 6.898 3.686 1.00 0.00 C ATOM 0 H MET A 90 4.186 6.669 7.234 1.00 0.00 H new ATOM 0 HA MET A 90 1.309 5.980 7.131 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.284 7.273 5.240 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.965 6.343 4.556 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.593 7.840 6.416 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.889 8.950 6.016 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.144 7.020 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.505 6.416 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.227 6.279 4.580 1.00 0.00 H new ATOM 1321 N VAL A 91 2.223 3.609 7.052 1.00 0.00 N ATOM 1322 CA VAL A 91 2.470 2.206 6.763 1.00 0.00 C ATOM 1323 C VAL A 91 1.169 1.419 6.922 1.00 0.00 C ATOM 1324 O VAL A 91 0.337 1.752 7.764 1.00 0.00 O ATOM 1325 CB VAL A 91 3.599 1.680 7.652 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.919 2.391 7.341 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.240 1.816 9.133 1.00 0.00 C ATOM 0 H VAL A 91 1.729 3.784 7.927 1.00 0.00 H new ATOM 0 HA VAL A 91 2.800 2.082 5.732 1.00 0.00 H new ATOM 0 HB VAL A 91 3.729 0.620 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.705 1.998 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.187 2.221 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.806 3.461 7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.059 1.435 9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.069 2.866 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.336 1.244 9.342 1.00 0.00 H new ATOM 1337 N GLY A 92 1.032 0.390 6.098 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.155 -0.447 6.136 1.00 0.00 C ATOM 1339 C GLY A 92 0.221 -1.926 6.240 1.00 0.00 C ATOM 1340 O GLY A 92 1.376 -2.261 6.496 1.00 0.00 O ATOM 0 H GLY A 92 1.724 0.117 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.776 -0.165 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.750 -0.282 5.238 1.00 0.00 H new ATOM 1344 N THR A 93 -0.778 -2.773 6.037 1.00 0.00 N ATOM 1345 CA THR A 93 -0.567 -4.210 6.104 1.00 0.00 C ATOM 1346 C THR A 93 -1.622 -4.943 5.275 1.00 0.00 C ATOM 1347 O THR A 93 -2.767 -4.503 5.192 1.00 0.00 O ATOM 1348 CB THR A 93 -0.561 -4.617 7.580 1.00 0.00 C ATOM 1349 OG1 THR A 93 -0.448 -3.382 8.281 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.704 -5.384 7.970 1.00 0.00 C ATOM 0 H THR A 93 -1.736 -2.492 5.826 1.00 0.00 H new ATOM 0 HA THR A 93 0.393 -4.491 5.670 1.00 0.00 H new ATOM 0 HB THR A 93 -1.437 -5.230 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.438 -3.553 9.246 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.658 -5.649 9.026 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.778 -6.292 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.579 -4.759 7.791 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.199 -6.050 4.684 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.093 -6.849 3.864 1.00 0.00 C ATOM 1360 C ILE A 94 -1.840 -8.334 4.138 1.00 0.00 C ATOM 1361 O ILE A 94 -0.717 -8.813 3.993 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.957 -6.465 2.389 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.452 -5.037 2.147 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.667 -7.478 1.489 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.682 -4.377 1.002 1.00 0.00 C ATOM 0 H ILE A 94 -0.248 -6.413 4.757 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.131 -6.647 4.127 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.899 -6.489 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.517 -5.052 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.334 -4.448 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.554 -7.180 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.227 -8.465 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.726 -7.512 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.053 -3.363 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.621 -4.342 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.822 -4.955 0.089 1.00 0.00 H new ATOM 1377 N THR A 95 -2.904 -9.020 4.530 1.00 0.00 N ATOM 1378 CA THR A 95 -2.811 -10.439 4.825 1.00 0.00 C ATOM 1379 C THR A 95 -3.427 -11.261 3.692 1.00 0.00 C ATOM 1380 O THR A 95 -4.434 -10.864 3.108 1.00 0.00 O ATOM 1381 CB THR A 95 -3.473 -10.684 6.184 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.856 -9.733 7.046 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.090 -12.037 6.786 1.00 0.00 C ATOM 0 H THR A 95 -3.834 -8.619 4.650 1.00 0.00 H new ATOM 0 HA THR A 95 -1.772 -10.762 4.890 1.00 0.00 H new ATOM 0 HB THR A 95 -4.556 -10.629 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.227 -9.820 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.586 -12.160 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.401 -12.836 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.010 -12.080 6.926 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.797 -12.393 3.414 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.271 -13.275 2.362 1.00 0.00 C ATOM 1393 C VAL A 96 -3.428 -14.692 2.920 1.00 0.00 C ATOM 1394 O VAL A 96 -2.594 -15.559 2.663 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.328 -13.208 1.159 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.422 -14.482 0.316 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.610 -11.967 0.309 1.00 0.00 C ATOM 0 H VAL A 96 -1.962 -12.720 3.900 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.251 -12.955 2.009 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.309 -13.131 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.742 -14.408 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.149 -15.343 0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.443 -14.604 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.926 -11.944 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.637 -12.000 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.468 -11.072 0.914 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.502 -14.882 3.672 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.778 -16.177 4.268 1.00 0.00 C ATOM 1409 C GLU A 97 -5.448 -17.099 3.248 1.00 0.00 C ATOM 1410 O GLU A 97 -4.826 -17.502 2.266 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.639 -16.030 5.524 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.572 -17.292 6.386 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.817 -16.962 7.860 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.630 -16.048 8.110 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.185 -17.634 8.705 1.00 0.00 O ATOM 1416 OXT GLU A 97 -6.709 -17.407 3.516 1.00 0.00 O ATOM 0 H GLU A 97 -5.191 -14.160 3.882 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.831 -16.627 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.300 -15.171 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.673 -15.834 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.315 -18.012 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.596 -17.763 6.272 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.880 9.508 1.840 1.00 0.00 CU