USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 SER OG : rot -147:sc= -0.765 USER MOD Set 1.2: B 44 THR OG1 : rot 148:sc= 0.959 USER MOD Set 1.3: B 47 SER OG : rot -79:sc= 0.0858! USER MOD Set 2.1: A 44 THR OG1 : rot 148:sc= 0.903 USER MOD Set 2.2: A 47 SER OG : rot -77:sc= 0.201! USER MOD Set 2.3: B 5 SER OG : rot -152:sc= -0.678 USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.12 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.31 USER MOD Single : A 14 SER OG : rot -89:sc= 1.91 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.232! USER MOD Single : A 19 LYS NZ :NH3+ 140:sc= -2.77! (180deg=-5.52!) USER MOD Single : A 23 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 21:sc= -1.3 USER MOD Single : A 32 SER OG : rot 170:sc= 0.504 USER MOD Single : A 33 SER OG : rot -60:sc= -0.131 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 43 GLN : amide:sc= -2.95! C(o=-3!,f=-5.2!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0.28 (180deg=-0.826!) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -1.71 (180deg=-2.39) USER MOD Single : A 49 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.115 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.7!) USER MOD Single : B 1 ALA N :NH3+ -111:sc= 0.118 (180deg=0) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 9 THR OG1 : rot 164:sc= -0.321 USER MOD Single : B 14 SER OG : rot -83:sc= 1.96 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 45:sc= 0.286! USER MOD Single : B 19 LYS NZ :NH3+ -100:sc= -2.76! (180deg=-5.42!) USER MOD Single : B 23 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.5) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 34:sc= -1.16 USER MOD Single : B 32 SER OG : rot 170:sc= 0.447 USER MOD Single : B 33 SER OG : rot 180:sc= -0.131 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : B 43 GLN : amide:sc= -3.02! C(o=-3!,f=-5.2!) USER MOD Single : B 45 LYS NZ :NH3+ -169:sc= 0.293 (180deg=-0.91!) USER MOD Single : B 48 LYS NZ :NH3+ 167:sc= -1.74 (180deg=-2.36) USER MOD Single : B 49 GLN : amide:sc= -0.608 K(o=-0.61,f=-1.6!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= -0.149 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.023 20.916 -9.556 1.00 0.00 N ATOM 2 CA ALA A 1 -11.386 19.650 -10.253 1.00 0.00 C ATOM 3 C ALA A 1 -11.786 18.600 -9.196 1.00 0.00 C ATOM 4 O ALA A 1 -11.488 18.770 -8.031 1.00 0.00 O ATOM 5 CB ALA A 1 -10.169 19.167 -11.074 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.790 21.608 -9.672 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.878 20.726 -8.544 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.147 21.299 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.226 19.806 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.422 18.240 -11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.899 19.928 -11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.326 18.992 -10.406 1.00 0.00 H new ATOM 13 N PRO A 2 -12.444 17.539 -9.623 1.00 0.00 N ATOM 14 CA PRO A 2 -12.866 16.474 -8.694 1.00 0.00 C ATOM 15 C PRO A 2 -11.645 15.926 -7.941 1.00 0.00 C ATOM 16 O PRO A 2 -10.739 15.369 -8.529 1.00 0.00 O ATOM 17 CB PRO A 2 -13.512 15.392 -9.594 1.00 0.00 C ATOM 18 CG PRO A 2 -13.427 15.895 -11.065 1.00 0.00 C ATOM 19 CD PRO A 2 -12.815 17.314 -11.038 1.00 0.00 C ATOM 0 HA PRO A 2 -13.565 16.825 -7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.992 14.441 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.550 15.223 -9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.812 15.224 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.417 15.913 -11.521 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.945 17.382 -11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.531 18.060 -11.383 1.00 0.00 H new ATOM 27 N MET A 3 -11.616 16.082 -6.645 1.00 0.00 N ATOM 28 CA MET A 3 -10.458 15.571 -5.858 1.00 0.00 C ATOM 29 C MET A 3 -10.608 14.062 -5.655 1.00 0.00 C ATOM 30 O MET A 3 -11.698 13.556 -5.483 1.00 0.00 O ATOM 31 CB MET A 3 -10.417 16.270 -4.496 1.00 0.00 C ATOM 32 CG MET A 3 -10.632 17.773 -4.686 1.00 0.00 C ATOM 33 SD MET A 3 -10.521 18.604 -3.082 1.00 0.00 S ATOM 34 CE MET A 3 -11.650 19.967 -3.453 1.00 0.00 C ATOM 0 H MET A 3 -12.344 16.541 -6.098 1.00 0.00 H new ATOM 0 HA MET A 3 -9.533 15.775 -6.397 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.188 15.862 -3.843 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.458 16.088 -4.011 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.884 18.175 -5.369 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.607 17.958 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.732 20.618 -2.583 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.266 20.538 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.633 19.568 -3.701 1.00 0.00 H new ATOM 44 N GLY A 4 -9.521 13.339 -5.673 1.00 0.00 N ATOM 45 CA GLY A 4 -9.606 11.864 -5.479 1.00 0.00 C ATOM 46 C GLY A 4 -10.344 11.559 -4.185 1.00 0.00 C ATOM 47 O GLY A 4 -10.664 12.439 -3.409 1.00 0.00 O ATOM 0 H GLY A 4 -8.580 13.706 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.125 11.406 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.605 11.433 -5.448 1.00 0.00 H new ATOM 51 N SER A 5 -10.628 10.311 -3.955 1.00 0.00 N ATOM 52 CA SER A 5 -11.360 9.915 -2.723 1.00 0.00 C ATOM 53 C SER A 5 -10.372 9.606 -1.590 1.00 0.00 C ATOM 54 O SER A 5 -9.808 10.499 -0.991 1.00 0.00 O ATOM 55 CB SER A 5 -12.183 8.680 -3.038 1.00 0.00 C ATOM 56 OG SER A 5 -11.365 7.759 -3.750 1.00 0.00 O ATOM 0 H SER A 5 -10.382 9.539 -4.575 1.00 0.00 H new ATOM 0 HA SER A 5 -12.006 10.731 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.551 8.226 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.056 8.949 -3.633 1.00 0.00 H new ATOM 0 HG SER A 5 -11.915 7.257 -4.387 1.00 0.00 H new ATOM 62 N ASP A 6 -10.161 8.345 -1.281 1.00 0.00 N ATOM 63 CA ASP A 6 -9.213 7.998 -0.174 1.00 0.00 C ATOM 64 C ASP A 6 -8.714 6.554 -0.341 1.00 0.00 C ATOM 65 O ASP A 6 -9.078 5.694 0.435 1.00 0.00 O ATOM 66 CB ASP A 6 -9.934 8.116 1.175 1.00 0.00 C ATOM 67 CG ASP A 6 -10.654 9.464 1.263 1.00 0.00 C ATOM 68 OD1 ASP A 6 -9.972 10.469 1.379 1.00 0.00 O ATOM 69 OD2 ASP A 6 -11.872 9.466 1.211 1.00 0.00 O ATOM 0 H ASP A 6 -10.601 7.549 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.367 8.684 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.651 7.303 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.217 8.023 1.990 1.00 0.00 H new ATOM 74 N PRO A 7 -7.895 6.321 -1.343 1.00 0.00 N ATOM 75 CA PRO A 7 -7.354 4.970 -1.594 1.00 0.00 C ATOM 76 C PRO A 7 -6.459 4.537 -0.412 1.00 0.00 C ATOM 77 O PRO A 7 -6.119 5.353 0.422 1.00 0.00 O ATOM 78 CB PRO A 7 -6.540 5.108 -2.903 1.00 0.00 C ATOM 79 CG PRO A 7 -6.633 6.595 -3.359 1.00 0.00 C ATOM 80 CD PRO A 7 -7.451 7.360 -2.295 1.00 0.00 C ATOM 0 HA PRO A 7 -8.130 4.210 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.501 4.821 -2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.937 4.446 -3.673 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.638 7.027 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.113 6.667 -4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.845 8.118 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.301 7.875 -2.744 1.00 0.00 H new ATOM 88 N PRO A 8 -6.097 3.269 -0.372 1.00 0.00 N ATOM 89 CA PRO A 8 -5.237 2.742 0.709 1.00 0.00 C ATOM 90 C PRO A 8 -3.871 3.446 0.682 1.00 0.00 C ATOM 91 O PRO A 8 -3.725 4.519 0.130 1.00 0.00 O ATOM 92 CB PRO A 8 -5.095 1.231 0.402 1.00 0.00 C ATOM 93 CG PRO A 8 -5.784 0.968 -0.969 1.00 0.00 C ATOM 94 CD PRO A 8 -6.509 2.269 -1.382 1.00 0.00 C ATOM 0 HA PRO A 8 -5.655 2.911 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.044 0.944 0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.561 0.634 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.047 0.685 -1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.492 0.143 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.222 2.580 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.591 2.134 -1.387 1.00 0.00 H new ATOM 102 N THR A 9 -2.872 2.844 1.274 1.00 0.00 N ATOM 103 CA THR A 9 -1.515 3.466 1.285 1.00 0.00 C ATOM 104 C THR A 9 -0.452 2.371 1.318 1.00 0.00 C ATOM 105 O THR A 9 -0.453 1.511 2.177 1.00 0.00 O ATOM 106 CB THR A 9 -1.369 4.351 2.524 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.514 5.184 2.645 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.114 5.218 2.392 1.00 0.00 C ATOM 0 H THR A 9 -2.938 1.945 1.752 1.00 0.00 H new ATOM 0 HA THR A 9 -1.387 4.071 0.387 1.00 0.00 H new ATOM 0 HB THR A 9 -1.280 3.724 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.504 5.628 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.012 5.848 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.763 4.577 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.198 5.847 1.506 1.00 0.00 H new ATOM 116 N ALA A 10 0.454 2.396 0.383 1.00 0.00 N ATOM 117 CA ALA A 10 1.521 1.362 0.344 1.00 0.00 C ATOM 118 C ALA A 10 2.470 1.552 1.528 1.00 0.00 C ATOM 119 O ALA A 10 3.524 2.144 1.400 1.00 0.00 O ATOM 120 CB ALA A 10 2.305 1.500 -0.959 1.00 0.00 C ATOM 0 H ALA A 10 0.501 3.093 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 10 1.068 0.372 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.089 0.744 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.632 1.363 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.754 2.492 -1.010 1.00 0.00 H new ATOM 126 N CYS A 11 2.111 1.039 2.678 1.00 0.00 N ATOM 127 CA CYS A 11 2.989 1.166 3.883 1.00 0.00 C ATOM 128 C CYS A 11 3.585 -0.207 4.196 1.00 0.00 C ATOM 129 O CYS A 11 2.893 -1.206 4.202 1.00 0.00 O ATOM 130 CB CYS A 11 2.154 1.646 5.076 1.00 0.00 C ATOM 131 SG CYS A 11 1.302 3.184 4.639 1.00 0.00 S ATOM 0 H CYS A 11 1.239 0.533 2.835 1.00 0.00 H new ATOM 0 HA CYS A 11 3.786 1.885 3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.428 0.883 5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.797 1.807 5.942 1.00 0.00 H new ATOM 136 N CYS A 12 4.865 -0.270 4.439 1.00 0.00 N ATOM 137 CA CYS A 12 5.497 -1.587 4.738 1.00 0.00 C ATOM 138 C CYS A 12 5.035 -2.080 6.109 1.00 0.00 C ATOM 139 O CYS A 12 4.917 -1.316 7.047 1.00 0.00 O ATOM 140 CB CYS A 12 7.022 -1.437 4.738 1.00 0.00 C ATOM 141 SG CYS A 12 7.587 -0.978 3.080 1.00 0.00 S ATOM 0 H CYS A 12 5.499 0.529 4.444 1.00 0.00 H new ATOM 0 HA CYS A 12 5.202 -2.308 3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.323 -0.677 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.490 -2.372 5.047 1.00 0.00 H new ATOM 146 N PHE A 13 4.781 -3.357 6.233 1.00 0.00 N ATOM 147 CA PHE A 13 4.333 -3.924 7.542 1.00 0.00 C ATOM 148 C PHE A 13 5.526 -4.620 8.203 1.00 0.00 C ATOM 149 O PHE A 13 5.522 -4.910 9.383 1.00 0.00 O ATOM 150 CB PHE A 13 3.212 -4.942 7.298 1.00 0.00 C ATOM 151 CG PHE A 13 3.779 -6.154 6.598 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.057 -6.102 5.220 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.042 -7.329 7.329 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.597 -7.227 4.571 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.585 -8.453 6.680 1.00 0.00 C ATOM 156 CZ PHE A 13 4.861 -8.403 5.301 1.00 0.00 C ATOM 0 H PHE A 13 4.865 -4.037 5.478 1.00 0.00 H new ATOM 0 HA PHE A 13 3.959 -3.131 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.759 -5.234 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.424 -4.494 6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.856 -5.200 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.827 -7.367 8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.809 -7.189 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.790 -9.354 7.240 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.275 -9.266 4.802 1.00 0.00 H new ATOM 166 N SER A 14 6.548 -4.886 7.435 1.00 0.00 N ATOM 167 CA SER A 14 7.755 -5.562 7.984 1.00 0.00 C ATOM 168 C SER A 14 8.954 -5.217 7.100 1.00 0.00 C ATOM 169 O SER A 14 8.967 -4.202 6.431 1.00 0.00 O ATOM 170 CB SER A 14 7.539 -7.076 7.986 1.00 0.00 C ATOM 171 OG SER A 14 7.297 -7.518 6.657 1.00 0.00 O ATOM 0 H SER A 14 6.597 -4.661 6.441 1.00 0.00 H new ATOM 0 HA SER A 14 7.936 -5.227 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.415 -7.579 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.695 -7.334 8.626 1.00 0.00 H new ATOM 0 HG SER A 14 6.336 -7.479 6.469 1.00 0.00 H new ATOM 177 N TYR A 15 9.967 -6.042 7.089 1.00 0.00 N ATOM 178 CA TYR A 15 11.163 -5.742 6.244 1.00 0.00 C ATOM 179 C TYR A 15 11.882 -7.046 5.893 1.00 0.00 C ATOM 180 O TYR A 15 11.729 -8.048 6.561 1.00 0.00 O ATOM 181 CB TYR A 15 12.119 -4.828 7.020 1.00 0.00 C ATOM 182 CG TYR A 15 11.327 -3.798 7.789 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.940 -2.596 7.167 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.972 -4.044 9.129 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.197 -1.640 7.886 1.00 0.00 C ATOM 186 CE2 TYR A 15 10.229 -3.089 9.848 1.00 0.00 C ATOM 187 CZ TYR A 15 9.842 -1.885 9.227 1.00 0.00 C ATOM 188 OH TYR A 15 9.114 -0.948 9.931 1.00 0.00 O ATOM 0 H TYR A 15 10.020 -6.908 7.626 1.00 0.00 H new ATOM 0 HA TYR A 15 10.844 -5.245 5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.727 -5.419 7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.804 -4.334 6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.213 -2.407 6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.270 -4.966 9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.899 -0.718 7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.956 -3.279 10.875 1.00 0.00 H new ATOM 0 HH TYR A 15 8.953 -1.275 10.841 1.00 0.00 H new ATOM 198 N THR A 16 12.677 -7.037 4.858 1.00 0.00 N ATOM 199 CA THR A 16 13.410 -8.279 4.486 1.00 0.00 C ATOM 200 C THR A 16 14.320 -8.677 5.650 1.00 0.00 C ATOM 201 O THR A 16 14.121 -8.256 6.772 1.00 0.00 O ATOM 202 CB THR A 16 14.232 -8.042 3.210 1.00 0.00 C ATOM 203 OG1 THR A 16 14.998 -9.200 2.915 1.00 0.00 O ATOM 204 CG2 THR A 16 15.166 -6.845 3.398 1.00 0.00 C ATOM 0 H THR A 16 12.850 -6.230 4.258 1.00 0.00 H new ATOM 0 HA THR A 16 12.704 -9.085 4.287 1.00 0.00 H new ATOM 0 HB THR A 16 13.551 -7.834 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.520 -9.048 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.743 -6.687 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.576 -5.954 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.845 -7.040 4.228 1.00 0.00 H new ATOM 212 N ALA A 17 15.314 -9.486 5.404 1.00 0.00 N ATOM 213 CA ALA A 17 16.231 -9.910 6.503 1.00 0.00 C ATOM 214 C ALA A 17 17.643 -10.061 5.946 1.00 0.00 C ATOM 215 O ALA A 17 18.496 -10.684 6.547 1.00 0.00 O ATOM 216 CB ALA A 17 15.762 -11.254 7.062 1.00 0.00 C ATOM 0 H ALA A 17 15.532 -9.874 4.486 1.00 0.00 H new ATOM 0 HA ALA A 17 16.226 -9.162 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.429 -11.567 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.749 -11.153 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.773 -12.002 6.269 1.00 0.00 H new ATOM 222 N ARG A 18 17.895 -9.498 4.794 1.00 0.00 N ATOM 223 CA ARG A 18 19.250 -9.610 4.179 1.00 0.00 C ATOM 224 C ARG A 18 19.608 -8.300 3.475 1.00 0.00 C ATOM 225 O ARG A 18 18.857 -7.792 2.666 1.00 0.00 O ATOM 226 CB ARG A 18 19.240 -10.746 3.155 1.00 0.00 C ATOM 227 CG ARG A 18 18.714 -12.026 3.817 1.00 0.00 C ATOM 228 CD ARG A 18 19.115 -13.245 2.987 1.00 0.00 C ATOM 229 NE ARG A 18 18.932 -12.958 1.525 1.00 0.00 N ATOM 230 CZ ARG A 18 17.781 -12.572 1.042 1.00 0.00 C ATOM 231 NH1 ARG A 18 16.710 -12.593 1.786 1.00 0.00 N ATOM 232 NH2 ARG A 18 17.692 -12.213 -0.210 1.00 0.00 N ATOM 0 H ARG A 18 17.218 -8.963 4.250 1.00 0.00 H new ATOM 0 HA ARG A 18 19.987 -9.814 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.612 -10.479 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.246 -10.911 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.115 -12.115 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.629 -11.979 3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.155 -13.505 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.511 -14.105 3.275 1.00 0.00 H new ATOM 0 HE ARG A 18 19.725 -13.067 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.767 -12.913 2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.815 -12.290 1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.519 -12.235 -0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.796 -11.911 -0.591 1.00 0.00 H new ATOM 246 N LYS A 19 20.756 -7.755 3.768 1.00 0.00 N ATOM 247 CA LYS A 19 21.171 -6.487 3.106 1.00 0.00 C ATOM 248 C LYS A 19 21.317 -6.755 1.606 1.00 0.00 C ATOM 249 O LYS A 19 22.026 -7.649 1.190 1.00 0.00 O ATOM 250 CB LYS A 19 22.509 -6.025 3.715 1.00 0.00 C ATOM 251 CG LYS A 19 23.109 -4.835 2.935 1.00 0.00 C ATOM 252 CD LYS A 19 24.587 -4.657 3.304 1.00 0.00 C ATOM 253 CE LYS A 19 24.763 -4.651 4.828 1.00 0.00 C ATOM 254 NZ LYS A 19 24.784 -6.054 5.332 1.00 0.00 N ATOM 0 H LYS A 19 21.425 -8.134 4.438 1.00 0.00 H new ATOM 0 HA LYS A 19 20.431 -5.702 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.356 -5.738 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.216 -6.855 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.011 -5.006 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.556 -3.924 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.177 -5.463 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.963 -3.724 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.690 -4.143 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.949 -4.097 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.502 -6.144 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 23.850 -6.298 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.014 -6.700 4.550 1.00 0.00 H new ATOM 268 N LEU A 20 20.655 -5.982 0.790 1.00 0.00 N ATOM 269 CA LEU A 20 20.759 -6.190 -0.680 1.00 0.00 C ATOM 270 C LEU A 20 22.133 -5.682 -1.172 1.00 0.00 C ATOM 271 O LEU A 20 22.424 -4.518 -0.991 1.00 0.00 O ATOM 272 CB LEU A 20 19.669 -5.376 -1.383 1.00 0.00 C ATOM 273 CG LEU A 20 18.322 -5.580 -0.690 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.229 -4.919 -1.529 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.022 -7.078 -0.557 1.00 0.00 C ATOM 0 H LEU A 20 20.047 -5.216 1.078 1.00 0.00 H new ATOM 0 HA LEU A 20 20.645 -7.251 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.933 -4.319 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.597 -5.678 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 20 18.354 -5.134 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.263 -5.059 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.437 -3.853 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.206 -5.373 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.060 -7.214 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.988 -7.532 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.804 -7.555 0.033 1.00 0.00 H new ATOM 287 N PRO A 21 22.947 -6.524 -1.791 1.00 0.00 N ATOM 288 CA PRO A 21 24.256 -6.063 -2.289 1.00 0.00 C ATOM 289 C PRO A 21 24.059 -4.864 -3.219 1.00 0.00 C ATOM 290 O PRO A 21 23.093 -4.794 -3.949 1.00 0.00 O ATOM 291 CB PRO A 21 24.839 -7.270 -3.058 1.00 0.00 C ATOM 292 CG PRO A 21 23.917 -8.487 -2.773 1.00 0.00 C ATOM 293 CD PRO A 21 22.663 -7.956 -2.045 1.00 0.00 C ATOM 0 HA PRO A 21 24.922 -5.740 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.880 -7.061 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.859 -7.476 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.639 -8.984 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.434 -9.225 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.769 -8.079 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.489 -8.495 -1.114 1.00 0.00 H new ATOM 301 N ARG A 22 24.970 -3.932 -3.216 1.00 0.00 N ATOM 302 CA ARG A 22 24.827 -2.764 -4.125 1.00 0.00 C ATOM 303 C ARG A 22 24.548 -3.278 -5.539 1.00 0.00 C ATOM 304 O ARG A 22 23.833 -2.667 -6.307 1.00 0.00 O ATOM 305 CB ARG A 22 26.116 -1.946 -4.122 1.00 0.00 C ATOM 306 CG ARG A 22 25.941 -0.729 -5.040 1.00 0.00 C ATOM 307 CD ARG A 22 27.153 0.216 -4.925 1.00 0.00 C ATOM 308 NE ARG A 22 26.686 1.640 -4.933 1.00 0.00 N ATOM 309 CZ ARG A 22 25.817 2.064 -5.815 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.450 1.301 -6.806 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.350 3.279 -5.729 1.00 0.00 N ATOM 0 H ARG A 22 25.803 -3.929 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 22 24.006 -2.130 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.353 -1.622 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 22 26.951 -2.558 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 22 25.827 -1.059 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.029 -0.194 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.702 0.008 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 22 27.840 0.044 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 22 27.052 2.291 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 25.841 0.363 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.772 1.641 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 22 25.662 3.893 -4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 22 24.673 3.615 -6.414 1.00 0.00 H new ATOM 325 N ASN A 23 25.108 -4.410 -5.878 1.00 0.00 N ATOM 326 CA ASN A 23 24.880 -4.984 -7.234 1.00 0.00 C ATOM 327 C ASN A 23 23.453 -5.528 -7.327 1.00 0.00 C ATOM 328 O ASN A 23 23.126 -6.283 -8.221 1.00 0.00 O ATOM 329 CB ASN A 23 25.876 -6.120 -7.479 1.00 0.00 C ATOM 330 CG ASN A 23 25.684 -6.672 -8.893 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.223 -6.141 -9.843 1.00 0.00 O ATOM 332 ND2 ASN A 23 24.932 -7.723 -9.073 1.00 0.00 N ATOM 0 H ASN A 23 25.715 -4.962 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 23 25.021 -4.207 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.896 -5.757 -7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.728 -6.912 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 23 24.797 -8.099 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.479 -8.169 -8.275 1.00 0.00 H new ATOM 339 N PHE A 24 22.601 -5.156 -6.406 1.00 0.00 N ATOM 340 CA PHE A 24 21.190 -5.658 -6.430 1.00 0.00 C ATOM 341 C PHE A 24 20.249 -4.510 -6.050 1.00 0.00 C ATOM 342 O PHE A 24 19.177 -4.720 -5.518 1.00 0.00 O ATOM 343 CB PHE A 24 21.051 -6.806 -5.415 1.00 0.00 C ATOM 344 CG PHE A 24 19.870 -7.686 -5.762 1.00 0.00 C ATOM 345 CD1 PHE A 24 19.849 -8.381 -6.988 1.00 0.00 C ATOM 346 CD2 PHE A 24 18.798 -7.827 -4.856 1.00 0.00 C ATOM 347 CE1 PHE A 24 18.761 -9.211 -7.309 1.00 0.00 C ATOM 348 CE2 PHE A 24 17.709 -8.658 -5.179 1.00 0.00 C ATOM 349 CZ PHE A 24 17.690 -9.350 -6.404 1.00 0.00 C ATOM 0 H PHE A 24 22.821 -4.525 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 24 20.934 -6.022 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 24 21.964 -7.401 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 24 20.925 -6.398 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 24 20.670 -8.276 -7.682 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.813 -7.297 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 24 18.746 -9.742 -8.249 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.887 -8.765 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 24 16.854 -9.988 -6.651 1.00 0.00 H new ATOM 359 N VAL A 25 20.650 -3.297 -6.323 1.00 0.00 N ATOM 360 CA VAL A 25 19.796 -2.120 -5.986 1.00 0.00 C ATOM 361 C VAL A 25 20.053 -1.014 -7.011 1.00 0.00 C ATOM 362 O VAL A 25 20.918 -0.180 -6.834 1.00 0.00 O ATOM 363 CB VAL A 25 20.155 -1.609 -4.588 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.214 -0.469 -4.198 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.012 -2.746 -3.574 1.00 0.00 C ATOM 0 H VAL A 25 21.539 -3.069 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 25 18.745 -2.409 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 25 21.183 -1.248 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.473 -0.108 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.312 0.345 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.186 -0.830 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.268 -2.381 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 25 18.983 -3.107 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 25 20.683 -3.561 -3.845 1.00 0.00 H new ATOM 375 N VAL A 26 19.312 -1.006 -8.086 1.00 0.00 N ATOM 376 CA VAL A 26 19.517 0.038 -9.126 1.00 0.00 C ATOM 377 C VAL A 26 18.760 1.304 -8.737 1.00 0.00 C ATOM 378 O VAL A 26 18.953 2.355 -9.316 1.00 0.00 O ATOM 379 CB VAL A 26 18.992 -0.476 -10.465 1.00 0.00 C ATOM 380 CG1 VAL A 26 19.918 -1.573 -10.988 1.00 0.00 C ATOM 381 CG2 VAL A 26 17.585 -1.048 -10.273 1.00 0.00 C ATOM 0 H VAL A 26 18.573 -1.679 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 26 20.580 0.264 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 26 18.959 0.344 -11.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.544 -1.940 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 26 20.921 -1.169 -11.122 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.951 -2.394 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.208 -1.415 -11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.621 -1.869 -9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.923 -0.268 -9.898 1.00 0.00 H new ATOM 391 N ASP A 27 17.901 1.219 -7.763 1.00 0.00 N ATOM 392 CA ASP A 27 17.140 2.427 -7.350 1.00 0.00 C ATOM 393 C ASP A 27 16.392 2.134 -6.055 1.00 0.00 C ATOM 394 O ASP A 27 16.569 1.098 -5.445 1.00 0.00 O ATOM 395 CB ASP A 27 16.137 2.793 -8.446 1.00 0.00 C ATOM 396 CG ASP A 27 15.592 4.200 -8.191 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.352 5.144 -8.340 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.425 4.311 -7.852 1.00 0.00 O ATOM 0 H ASP A 27 17.694 0.370 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 27 17.828 3.258 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.618 2.750 -9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.320 2.072 -8.461 1.00 0.00 H new ATOM 403 N TYR A 28 15.552 3.035 -5.630 1.00 0.00 N ATOM 404 CA TYR A 28 14.790 2.799 -4.375 1.00 0.00 C ATOM 405 C TYR A 28 13.513 3.628 -4.381 1.00 0.00 C ATOM 406 O TYR A 28 13.181 4.286 -5.348 1.00 0.00 O ATOM 407 CB TYR A 28 15.649 3.160 -3.157 1.00 0.00 C ATOM 408 CG TYR A 28 15.779 4.665 -3.014 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.415 5.419 -4.019 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.273 5.309 -1.866 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.546 6.813 -3.879 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.404 6.703 -1.723 1.00 0.00 C ATOM 413 CZ TYR A 28 16.041 7.456 -2.730 1.00 0.00 C ATOM 414 OH TYR A 28 16.170 8.822 -2.592 1.00 0.00 O ATOM 0 H TYR A 28 15.361 3.922 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 28 14.527 1.743 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.202 2.742 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.638 2.713 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 28 16.803 4.927 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.784 4.732 -1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.033 7.390 -4.651 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.017 7.195 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 28 15.768 9.105 -1.744 1.00 0.00 H new ATOM 424 N TYR A 29 12.791 3.580 -3.307 1.00 0.00 N ATOM 425 CA TYR A 29 11.519 4.334 -3.220 1.00 0.00 C ATOM 426 C TYR A 29 11.136 4.456 -1.741 1.00 0.00 C ATOM 427 O TYR A 29 11.300 3.529 -0.981 1.00 0.00 O ATOM 428 CB TYR A 29 10.449 3.559 -4.006 1.00 0.00 C ATOM 429 CG TYR A 29 9.062 3.992 -3.595 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.593 5.267 -3.953 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.243 3.120 -2.853 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.302 5.675 -3.569 1.00 0.00 C ATOM 433 CE2 TYR A 29 6.952 3.526 -2.469 1.00 0.00 C ATOM 434 CZ TYR A 29 6.480 4.804 -2.826 1.00 0.00 C ATOM 435 OH TYR A 29 5.214 5.203 -2.449 1.00 0.00 O ATOM 0 H TYR A 29 13.030 3.043 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 29 11.612 5.334 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.585 3.725 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.567 2.489 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.223 5.934 -4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.605 2.140 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.941 6.655 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.323 2.857 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 29 4.781 4.483 -1.944 1.00 0.00 H new ATOM 445 N GLU A 30 10.629 5.585 -1.322 1.00 0.00 N ATOM 446 CA GLU A 30 10.238 5.743 0.114 1.00 0.00 C ATOM 447 C GLU A 30 8.735 5.484 0.254 1.00 0.00 C ATOM 448 O GLU A 30 7.980 5.627 -0.687 1.00 0.00 O ATOM 449 CB GLU A 30 10.562 7.165 0.580 1.00 0.00 C ATOM 450 CG GLU A 30 12.065 7.291 0.845 1.00 0.00 C ATOM 451 CD GLU A 30 12.373 8.689 1.383 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.469 9.310 1.917 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.508 9.116 1.252 1.00 0.00 O ATOM 0 H GLU A 30 10.468 6.404 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 30 10.791 5.032 0.727 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.255 7.885 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.002 7.398 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.383 6.535 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.623 7.112 -0.074 1.00 0.00 H new ATOM 460 N THR A 31 8.299 5.094 1.419 1.00 0.00 N ATOM 461 CA THR A 31 6.848 4.812 1.623 1.00 0.00 C ATOM 462 C THR A 31 6.053 6.116 1.636 1.00 0.00 C ATOM 463 O THR A 31 6.551 7.166 1.281 1.00 0.00 O ATOM 464 CB THR A 31 6.659 4.106 2.965 1.00 0.00 C ATOM 465 OG1 THR A 31 7.396 4.802 3.952 1.00 0.00 O ATOM 466 CG2 THR A 31 7.159 2.665 2.853 1.00 0.00 C ATOM 0 H THR A 31 8.886 4.958 2.242 1.00 0.00 H new ATOM 0 HA THR A 31 6.492 4.181 0.809 1.00 0.00 H new ATOM 0 HB THR A 31 5.604 4.093 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.569 5.717 3.647 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.026 2.158 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.592 2.142 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.216 2.666 2.587 1.00 0.00 H new ATOM 474 N SER A 32 4.819 6.051 2.051 1.00 0.00 N ATOM 475 CA SER A 32 3.974 7.274 2.101 1.00 0.00 C ATOM 476 C SER A 32 4.228 8.012 3.415 1.00 0.00 C ATOM 477 O SER A 32 5.318 7.992 3.952 1.00 0.00 O ATOM 478 CB SER A 32 2.499 6.874 2.024 1.00 0.00 C ATOM 479 OG SER A 32 1.706 8.040 1.842 1.00 0.00 O ATOM 0 H SER A 32 4.357 5.196 2.360 1.00 0.00 H new ATOM 0 HA SER A 32 4.222 7.924 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.341 6.180 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.202 6.357 2.936 1.00 0.00 H new ATOM 0 HG SER A 32 0.785 7.780 1.632 1.00 0.00 H new ATOM 485 N SER A 33 3.224 8.662 3.932 1.00 0.00 N ATOM 486 CA SER A 33 3.376 9.414 5.216 1.00 0.00 C ATOM 487 C SER A 33 2.131 9.181 6.064 1.00 0.00 C ATOM 488 O SER A 33 2.193 9.091 7.274 1.00 0.00 O ATOM 489 CB SER A 33 3.497 10.902 4.911 1.00 0.00 C ATOM 490 OG SER A 33 2.199 11.443 4.696 1.00 0.00 O ATOM 0 H SER A 33 2.293 8.707 3.518 1.00 0.00 H new ATOM 0 HA SER A 33 4.265 9.074 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.986 11.416 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.118 11.055 4.029 1.00 0.00 H new ATOM 0 HG SER A 33 1.776 10.987 3.939 1.00 0.00 H new ATOM 496 N LEU A 34 1.001 9.089 5.418 1.00 0.00 N ATOM 497 CA LEU A 34 -0.288 8.864 6.138 1.00 0.00 C ATOM 498 C LEU A 34 -0.091 7.873 7.286 1.00 0.00 C ATOM 499 O LEU A 34 -0.374 8.164 8.431 1.00 0.00 O ATOM 500 CB LEU A 34 -1.319 8.293 5.161 1.00 0.00 C ATOM 501 CG LEU A 34 -1.225 9.014 3.813 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.384 8.570 2.916 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.296 10.529 4.034 1.00 0.00 C ATOM 0 H LEU A 34 0.914 9.161 4.404 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.636 9.815 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.148 7.225 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.322 8.405 5.573 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.279 8.765 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.318 9.082 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.329 7.493 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.331 8.818 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.229 11.040 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.241 10.783 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.469 10.843 4.671 1.00 0.00 H new ATOM 515 N CYS A 35 0.390 6.702 6.983 1.00 0.00 N ATOM 516 CA CYS A 35 0.603 5.689 8.051 1.00 0.00 C ATOM 517 C CYS A 35 1.770 6.131 8.941 1.00 0.00 C ATOM 518 O CYS A 35 2.829 6.479 8.466 1.00 0.00 O ATOM 519 CB CYS A 35 0.905 4.326 7.417 1.00 0.00 C ATOM 520 SG CYS A 35 1.981 4.540 5.977 1.00 0.00 S ATOM 0 H CYS A 35 0.645 6.402 6.042 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.297 5.600 8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.385 3.674 8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.024 3.840 7.119 1.00 0.00 H new ATOM 525 N SER A 36 1.568 6.147 10.229 1.00 0.00 N ATOM 526 CA SER A 36 2.650 6.583 11.161 1.00 0.00 C ATOM 527 C SER A 36 3.833 5.601 11.149 1.00 0.00 C ATOM 528 O SER A 36 4.494 5.424 12.153 1.00 0.00 O ATOM 529 CB SER A 36 2.085 6.669 12.580 1.00 0.00 C ATOM 530 OG SER A 36 0.955 7.531 12.583 1.00 0.00 O ATOM 0 H SER A 36 0.695 5.875 10.681 1.00 0.00 H new ATOM 0 HA SER A 36 3.012 7.557 10.832 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.801 5.677 12.932 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.845 7.045 13.265 1.00 0.00 H new ATOM 0 HG SER A 36 0.589 7.587 13.490 1.00 0.00 H new ATOM 536 N GLN A 37 4.120 4.954 10.046 1.00 0.00 N ATOM 537 CA GLN A 37 5.272 3.994 10.041 1.00 0.00 C ATOM 538 C GLN A 37 5.848 3.835 8.626 1.00 0.00 C ATOM 539 O GLN A 37 5.754 2.770 8.051 1.00 0.00 O ATOM 540 CB GLN A 37 4.790 2.631 10.546 1.00 0.00 C ATOM 541 CG GLN A 37 3.470 2.267 9.864 1.00 0.00 C ATOM 542 CD GLN A 37 3.168 0.785 10.094 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.724 -0.070 9.434 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.303 0.442 11.009 1.00 0.00 N ATOM 0 H GLN A 37 3.618 5.045 9.163 1.00 0.00 H new ATOM 0 HA GLN A 37 6.055 4.385 10.691 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.541 1.869 10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.656 2.659 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.661 2.880 10.263 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.531 2.475 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.836 1.159 11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.094 -0.543 11.170 1.00 0.00 H new ATOM 553 N PRO A 38 6.448 4.884 8.107 1.00 0.00 N ATOM 554 CA PRO A 38 7.060 4.839 6.763 1.00 0.00 C ATOM 555 C PRO A 38 8.313 3.949 6.803 1.00 0.00 C ATOM 556 O PRO A 38 8.690 3.429 7.834 1.00 0.00 O ATOM 557 CB PRO A 38 7.429 6.309 6.451 1.00 0.00 C ATOM 558 CG PRO A 38 7.215 7.129 7.758 1.00 0.00 C ATOM 559 CD PRO A 38 6.559 6.189 8.796 1.00 0.00 C ATOM 0 HA PRO A 38 6.398 4.423 6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.464 6.383 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.806 6.699 5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.166 7.509 8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.579 7.994 7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.166 6.110 9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.581 6.559 9.102 1.00 0.00 H new ATOM 567 N ALA A 39 8.954 3.784 5.684 1.00 0.00 N ATOM 568 CA ALA A 39 10.178 2.949 5.619 1.00 0.00 C ATOM 569 C ALA A 39 10.832 3.184 4.261 1.00 0.00 C ATOM 570 O ALA A 39 10.235 3.770 3.379 1.00 0.00 O ATOM 571 CB ALA A 39 9.805 1.471 5.754 1.00 0.00 C ATOM 0 H ALA A 39 8.675 4.201 4.796 1.00 0.00 H new ATOM 0 HA ALA A 39 10.860 3.214 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.708 0.862 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.308 1.307 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.134 1.190 4.943 1.00 0.00 H new ATOM 577 N VAL A 40 12.035 2.715 4.063 1.00 0.00 N ATOM 578 CA VAL A 40 12.691 2.902 2.733 1.00 0.00 C ATOM 579 C VAL A 40 12.465 1.626 1.931 1.00 0.00 C ATOM 580 O VAL A 40 12.462 0.536 2.467 1.00 0.00 O ATOM 581 CB VAL A 40 14.195 3.155 2.916 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.925 2.940 1.584 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.407 4.599 3.367 1.00 0.00 C ATOM 0 H VAL A 40 12.589 2.214 4.757 1.00 0.00 H new ATOM 0 HA VAL A 40 12.269 3.762 2.213 1.00 0.00 H new ATOM 0 HB VAL A 40 14.588 2.465 3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.991 3.121 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.771 1.915 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.532 3.631 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.473 4.786 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.010 5.278 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.890 4.765 4.312 1.00 0.00 H new ATOM 593 N VAL A 41 12.256 1.764 0.652 1.00 0.00 N ATOM 594 CA VAL A 41 11.999 0.574 -0.217 1.00 0.00 C ATOM 595 C VAL A 41 13.074 0.495 -1.306 1.00 0.00 C ATOM 596 O VAL A 41 13.209 1.381 -2.119 1.00 0.00 O ATOM 597 CB VAL A 41 10.614 0.732 -0.852 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.106 -0.621 -1.337 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.641 1.281 0.195 1.00 0.00 C ATOM 0 H VAL A 41 12.252 2.659 0.163 1.00 0.00 H new ATOM 0 HA VAL A 41 12.032 -0.343 0.372 1.00 0.00 H new ATOM 0 HB VAL A 41 10.684 1.417 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.121 -0.500 -1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.796 -1.025 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.037 -1.308 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.653 1.396 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.582 0.589 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.995 2.250 0.548 1.00 0.00 H new ATOM 609 N PHE A 42 13.852 -0.555 -1.323 1.00 0.00 N ATOM 610 CA PHE A 42 14.927 -0.671 -2.354 1.00 0.00 C ATOM 611 C PHE A 42 14.397 -1.386 -3.600 1.00 0.00 C ATOM 612 O PHE A 42 13.707 -2.382 -3.515 1.00 0.00 O ATOM 613 CB PHE A 42 16.101 -1.475 -1.785 1.00 0.00 C ATOM 614 CG PHE A 42 16.887 -0.626 -0.810 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.569 0.519 -1.266 1.00 0.00 C ATOM 616 CD2 PHE A 42 16.946 -0.985 0.552 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.307 1.306 -0.361 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.686 -0.199 1.454 1.00 0.00 C ATOM 619 CZ PHE A 42 18.366 0.947 0.998 1.00 0.00 C ATOM 0 H PHE A 42 13.791 -1.336 -0.670 1.00 0.00 H new ATOM 0 HA PHE A 42 15.256 0.332 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.731 -2.370 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.750 -1.808 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.526 0.793 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.424 -1.863 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.828 2.185 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.733 -0.475 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.933 1.550 1.692 1.00 0.00 H new ATOM 629 N GLN A 43 14.745 -0.892 -4.760 1.00 0.00 N ATOM 630 CA GLN A 43 14.305 -1.539 -6.033 1.00 0.00 C ATOM 631 C GLN A 43 15.474 -2.391 -6.540 1.00 0.00 C ATOM 632 O GLN A 43 16.570 -1.890 -6.719 1.00 0.00 O ATOM 633 CB GLN A 43 13.958 -0.449 -7.050 1.00 0.00 C ATOM 634 CG GLN A 43 12.753 0.351 -6.550 1.00 0.00 C ATOM 635 CD GLN A 43 12.631 1.648 -7.352 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.255 2.673 -6.819 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.933 1.646 -8.621 1.00 0.00 N ATOM 0 H GLN A 43 15.321 -0.059 -4.881 1.00 0.00 H new ATOM 0 HA GLN A 43 13.425 -2.164 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.812 0.213 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.734 -0.898 -8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 43 11.843 -0.240 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.868 0.576 -5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.249 0.786 -9.069 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.853 2.505 -9.166 1.00 0.00 H new ATOM 646 N THR A 44 15.278 -3.685 -6.727 1.00 0.00 N ATOM 647 CA THR A 44 16.434 -4.553 -7.162 1.00 0.00 C ATOM 648 C THR A 44 16.432 -4.807 -8.670 1.00 0.00 C ATOM 649 O THR A 44 15.874 -4.059 -9.448 1.00 0.00 O ATOM 650 CB THR A 44 16.361 -5.901 -6.446 1.00 0.00 C ATOM 651 OG1 THR A 44 15.451 -6.745 -7.133 1.00 0.00 O ATOM 652 CG2 THR A 44 15.877 -5.689 -5.013 1.00 0.00 C ATOM 0 H THR A 44 14.389 -4.168 -6.601 1.00 0.00 H new ATOM 0 HA THR A 44 17.350 -4.021 -6.904 1.00 0.00 H new ATOM 0 HB THR A 44 17.348 -6.363 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.742 -7.677 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.824 -6.650 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.573 -5.035 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.888 -5.231 -5.027 1.00 0.00 H new ATOM 660 N LYS A 45 17.087 -5.874 -9.075 1.00 0.00 N ATOM 661 CA LYS A 45 17.184 -6.230 -10.525 1.00 0.00 C ATOM 662 C LYS A 45 16.397 -7.516 -10.807 1.00 0.00 C ATOM 663 O LYS A 45 16.007 -7.773 -11.929 1.00 0.00 O ATOM 664 CB LYS A 45 18.656 -6.467 -10.886 1.00 0.00 C ATOM 665 CG LYS A 45 19.531 -5.357 -10.296 1.00 0.00 C ATOM 666 CD LYS A 45 20.998 -5.639 -10.638 1.00 0.00 C ATOM 667 CE LYS A 45 21.850 -4.404 -10.331 1.00 0.00 C ATOM 668 NZ LYS A 45 23.281 -4.804 -10.225 1.00 0.00 N ATOM 0 H LYS A 45 17.565 -6.522 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 45 16.772 -5.414 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.980 -7.436 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.772 -6.495 -11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.231 -4.389 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.399 -5.309 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.357 -6.492 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.091 -5.903 -11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.727 -3.659 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.520 -3.943 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.813 -4.061 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.354 -5.695 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.676 -4.935 -11.178 1.00 0.00 H new ATOM 682 N ARG A 46 16.163 -8.332 -9.800 1.00 0.00 N ATOM 683 CA ARG A 46 15.402 -9.613 -10.006 1.00 0.00 C ATOM 684 C ARG A 46 14.270 -9.667 -8.980 1.00 0.00 C ATOM 685 O ARG A 46 14.041 -10.659 -8.322 1.00 0.00 O ATOM 686 CB ARG A 46 16.358 -10.812 -9.828 1.00 0.00 C ATOM 687 CG ARG A 46 15.644 -12.182 -9.975 1.00 0.00 C ATOM 688 CD ARG A 46 14.534 -12.143 -11.032 1.00 0.00 C ATOM 689 NE ARG A 46 15.075 -11.602 -12.311 1.00 0.00 N ATOM 690 CZ ARG A 46 14.400 -11.744 -13.419 1.00 0.00 C ATOM 691 NH1 ARG A 46 13.249 -12.360 -13.407 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.875 -11.272 -14.539 1.00 0.00 N ATOM 0 H ARG A 46 16.468 -8.165 -8.841 1.00 0.00 H new ATOM 0 HA ARG A 46 14.983 -9.656 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.158 -10.744 -10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.825 -10.755 -8.845 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.375 -12.944 -10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 46 15.219 -12.474 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.134 -13.145 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.709 -11.522 -10.684 1.00 0.00 H new ATOM 0 HE ARG A 46 15.974 -11.120 -12.320 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.878 -12.730 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.721 -12.471 -14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.775 -10.792 -14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.347 -11.384 -15.404 1.00 0.00 H new ATOM 706 N SER A 47 13.554 -8.595 -8.858 1.00 0.00 N ATOM 707 CA SER A 47 12.428 -8.543 -7.913 1.00 0.00 C ATOM 708 C SER A 47 11.594 -7.329 -8.289 1.00 0.00 C ATOM 709 O SER A 47 11.225 -7.149 -9.432 1.00 0.00 O ATOM 710 CB SER A 47 12.949 -8.419 -6.474 1.00 0.00 C ATOM 711 OG SER A 47 13.352 -7.081 -6.221 1.00 0.00 O ATOM 0 H SER A 47 13.708 -7.736 -9.387 1.00 0.00 H new ATOM 0 HA SER A 47 11.829 -9.452 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.171 -8.713 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.789 -9.096 -6.322 1.00 0.00 H new ATOM 0 HG SER A 47 14.220 -6.915 -6.644 1.00 0.00 H new ATOM 717 N LYS A 48 11.324 -6.484 -7.357 1.00 0.00 N ATOM 718 CA LYS A 48 10.544 -5.255 -7.652 1.00 0.00 C ATOM 719 C LYS A 48 10.921 -4.225 -6.589 1.00 0.00 C ATOM 720 O LYS A 48 11.741 -3.357 -6.811 1.00 0.00 O ATOM 721 CB LYS A 48 8.995 -5.506 -7.641 1.00 0.00 C ATOM 722 CG LYS A 48 8.625 -7.006 -7.653 1.00 0.00 C ATOM 723 CD LYS A 48 9.028 -7.691 -6.321 1.00 0.00 C ATOM 724 CE LYS A 48 7.983 -8.745 -5.925 1.00 0.00 C ATOM 725 NZ LYS A 48 7.971 -9.836 -6.940 1.00 0.00 N ATOM 0 H LYS A 48 11.612 -6.587 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 48 10.784 -4.906 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.563 -5.038 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.548 -5.020 -8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.553 -7.118 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.125 -7.501 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.006 -8.161 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.117 -6.944 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.215 -9.152 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.996 -8.287 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.435 -10.648 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.522 -9.493 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.947 -10.130 -7.145 1.00 0.00 H new ATOM 739 N GLN A 49 10.327 -4.338 -5.432 1.00 0.00 N ATOM 740 CA GLN A 49 10.611 -3.392 -4.319 1.00 0.00 C ATOM 741 C GLN A 49 10.799 -4.198 -3.023 1.00 0.00 C ATOM 742 O GLN A 49 10.176 -5.226 -2.822 1.00 0.00 O ATOM 743 CB GLN A 49 9.405 -2.436 -4.191 1.00 0.00 C ATOM 744 CG GLN A 49 9.719 -1.078 -4.835 1.00 0.00 C ATOM 745 CD GLN A 49 8.556 -0.116 -4.592 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.577 -0.474 -3.966 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.618 1.099 -5.065 1.00 0.00 N ATOM 0 H GLN A 49 9.643 -5.061 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 49 11.517 -2.816 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.532 -2.878 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.155 -2.296 -3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.637 -0.668 -4.415 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.885 -1.201 -5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.439 1.401 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.846 1.747 -4.909 1.00 0.00 H new ATOM 756 N VAL A 50 11.657 -3.739 -2.142 1.00 0.00 N ATOM 757 CA VAL A 50 11.889 -4.470 -0.854 1.00 0.00 C ATOM 758 C VAL A 50 11.909 -3.457 0.286 1.00 0.00 C ATOM 759 O VAL A 50 12.656 -2.505 0.264 1.00 0.00 O ATOM 760 CB VAL A 50 13.237 -5.214 -0.905 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.235 -6.351 0.127 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.468 -5.775 -2.318 1.00 0.00 C ATOM 0 H VAL A 50 12.208 -2.888 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 50 11.092 -5.197 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 50 14.045 -4.522 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.189 -6.877 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.087 -5.937 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.428 -7.047 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.423 -6.300 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.665 -6.467 -2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.481 -4.956 -3.037 1.00 0.00 H new ATOM 772 N CYS A 51 11.099 -3.662 1.283 1.00 0.00 N ATOM 773 CA CYS A 51 11.064 -2.708 2.425 1.00 0.00 C ATOM 774 C CYS A 51 12.328 -2.878 3.268 1.00 0.00 C ATOM 775 O CYS A 51 12.906 -3.945 3.329 1.00 0.00 O ATOM 776 CB CYS A 51 9.833 -3.000 3.283 1.00 0.00 C ATOM 777 SG CYS A 51 8.334 -2.692 2.316 1.00 0.00 S ATOM 0 H CYS A 51 10.457 -4.451 1.358 1.00 0.00 H new ATOM 0 HA CYS A 51 11.015 -1.686 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.852 -4.035 3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.840 -2.371 4.173 1.00 0.00 H new ATOM 782 N ALA A 52 12.768 -1.828 3.911 1.00 0.00 N ATOM 783 CA ALA A 52 14.006 -1.919 4.743 1.00 0.00 C ATOM 784 C ALA A 52 13.864 -1.029 5.982 1.00 0.00 C ATOM 785 O ALA A 52 13.396 0.092 5.905 1.00 0.00 O ATOM 786 CB ALA A 52 15.203 -1.440 3.918 1.00 0.00 C ATOM 0 H ALA A 52 12.323 -0.910 3.896 1.00 0.00 H new ATOM 0 HA ALA A 52 14.157 -2.953 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.109 -1.504 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.310 -2.068 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.043 -0.406 3.612 1.00 0.00 H new ATOM 792 N ASP A 53 14.268 -1.523 7.122 1.00 0.00 N ATOM 793 CA ASP A 53 14.163 -0.713 8.371 1.00 0.00 C ATOM 794 C ASP A 53 15.169 0.464 8.309 1.00 0.00 C ATOM 795 O ASP A 53 16.356 0.215 8.236 1.00 0.00 O ATOM 796 CB ASP A 53 14.520 -1.598 9.572 1.00 0.00 C ATOM 797 CG ASP A 53 13.823 -2.951 9.438 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.963 -3.566 8.395 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.164 -3.351 10.383 1.00 0.00 O ATOM 0 H ASP A 53 14.667 -2.454 7.242 1.00 0.00 H new ATOM 0 HA ASP A 53 13.148 -0.329 8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.600 -1.738 9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.216 -1.111 10.498 1.00 0.00 H new ATOM 804 N PRO A 54 14.711 1.710 8.345 1.00 0.00 N ATOM 805 CA PRO A 54 15.646 2.853 8.298 1.00 0.00 C ATOM 806 C PRO A 54 16.573 2.825 9.523 1.00 0.00 C ATOM 807 O PRO A 54 17.504 3.599 9.628 1.00 0.00 O ATOM 808 CB PRO A 54 14.749 4.112 8.313 1.00 0.00 C ATOM 809 CG PRO A 54 13.272 3.634 8.425 1.00 0.00 C ATOM 810 CD PRO A 54 13.279 2.089 8.430 1.00 0.00 C ATOM 0 HA PRO A 54 16.287 2.829 7.417 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.008 4.757 9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.895 4.697 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.814 4.018 9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.683 4.011 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.820 1.695 9.337 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.714 1.689 7.588 1.00 0.00 H new ATOM 818 N SER A 55 16.311 1.951 10.451 1.00 0.00 N ATOM 819 CA SER A 55 17.161 1.884 11.674 1.00 0.00 C ATOM 820 C SER A 55 18.485 1.184 11.356 1.00 0.00 C ATOM 821 O SER A 55 19.452 1.317 12.079 1.00 0.00 O ATOM 822 CB SER A 55 16.423 1.103 12.762 1.00 0.00 C ATOM 823 OG SER A 55 17.279 0.937 13.884 1.00 0.00 O ATOM 0 H SER A 55 15.545 1.279 10.418 1.00 0.00 H new ATOM 0 HA SER A 55 17.367 2.896 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.518 1.634 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.112 0.130 12.380 1.00 0.00 H new ATOM 0 HG SER A 55 16.808 0.438 14.584 1.00 0.00 H new ATOM 829 N GLU A 56 18.544 0.446 10.281 1.00 0.00 N ATOM 830 CA GLU A 56 19.816 -0.249 9.930 1.00 0.00 C ATOM 831 C GLU A 56 20.753 0.740 9.228 1.00 0.00 C ATOM 832 O GLU A 56 20.444 1.286 8.187 1.00 0.00 O ATOM 833 CB GLU A 56 19.517 -1.433 9.008 1.00 0.00 C ATOM 834 CG GLU A 56 19.017 -2.622 9.833 1.00 0.00 C ATOM 835 CD GLU A 56 20.191 -3.248 10.590 1.00 0.00 C ATOM 836 OE1 GLU A 56 21.143 -3.648 9.941 1.00 0.00 O ATOM 837 OE2 GLU A 56 20.118 -3.316 11.806 1.00 0.00 O ATOM 0 H GLU A 56 17.771 0.294 9.633 1.00 0.00 H new ATOM 0 HA GLU A 56 20.296 -0.620 10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.767 -1.150 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.415 -1.713 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.251 -2.294 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.555 -3.363 9.180 1.00 0.00 H new ATOM 844 N SER A 57 21.889 0.982 9.815 1.00 0.00 N ATOM 845 CA SER A 57 22.867 1.943 9.233 1.00 0.00 C ATOM 846 C SER A 57 23.126 1.655 7.751 1.00 0.00 C ATOM 847 O SER A 57 23.268 2.565 6.958 1.00 0.00 O ATOM 848 CB SER A 57 24.186 1.842 10.000 1.00 0.00 C ATOM 849 OG SER A 57 24.913 0.712 9.538 1.00 0.00 O ATOM 0 H SER A 57 22.187 0.548 10.688 1.00 0.00 H new ATOM 0 HA SER A 57 22.449 2.946 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.773 2.749 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.992 1.752 11.069 1.00 0.00 H new ATOM 0 HG SER A 57 25.760 0.646 10.027 1.00 0.00 H new ATOM 855 N TRP A 58 23.218 0.412 7.361 1.00 0.00 N ATOM 856 CA TRP A 58 23.499 0.124 5.927 1.00 0.00 C ATOM 857 C TRP A 58 22.380 0.693 5.058 1.00 0.00 C ATOM 858 O TRP A 58 22.599 1.090 3.934 1.00 0.00 O ATOM 859 CB TRP A 58 23.676 -1.384 5.697 1.00 0.00 C ATOM 860 CG TRP A 58 22.363 -2.105 5.673 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.893 -2.883 6.674 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.369 -2.167 4.606 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.676 -3.420 6.294 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.304 -3.004 5.034 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.283 -1.584 3.319 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.192 -3.256 4.217 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.166 -1.834 2.494 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.122 -2.667 2.945 1.00 0.00 C ATOM 0 H TRP A 58 23.113 -0.404 7.963 1.00 0.00 H new ATOM 0 HA TRP A 58 24.435 0.607 5.644 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.197 -1.548 4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.304 -1.800 6.485 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.388 -3.057 7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.121 -4.048 6.876 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.078 -0.943 2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.396 -3.898 4.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.111 -1.385 1.513 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.267 -2.852 2.311 1.00 0.00 H new ATOM 879 N VAL A 59 21.190 0.766 5.574 1.00 0.00 N ATOM 880 CA VAL A 59 20.081 1.335 4.767 1.00 0.00 C ATOM 881 C VAL A 59 20.361 2.814 4.536 1.00 0.00 C ATOM 882 O VAL A 59 20.256 3.312 3.435 1.00 0.00 O ATOM 883 CB VAL A 59 18.766 1.163 5.523 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.621 1.796 4.728 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.504 -0.331 5.705 1.00 0.00 C ATOM 0 H VAL A 59 20.937 0.459 6.513 1.00 0.00 H new ATOM 0 HA VAL A 59 20.006 0.821 3.809 1.00 0.00 H new ATOM 0 HB VAL A 59 18.829 1.653 6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.686 1.669 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.819 2.859 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.542 1.311 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.567 -0.473 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.437 -0.810 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.321 -0.777 6.273 1.00 0.00 H new ATOM 895 N GLN A 60 20.736 3.516 5.564 1.00 0.00 N ATOM 896 CA GLN A 60 21.044 4.964 5.394 1.00 0.00 C ATOM 897 C GLN A 60 22.269 5.116 4.488 1.00 0.00 C ATOM 898 O GLN A 60 22.359 6.032 3.694 1.00 0.00 O ATOM 899 CB GLN A 60 21.335 5.591 6.759 1.00 0.00 C ATOM 900 CG GLN A 60 21.707 7.064 6.577 1.00 0.00 C ATOM 901 CD GLN A 60 21.761 7.750 7.943 1.00 0.00 C ATOM 902 OE1 GLN A 60 20.739 8.020 8.541 1.00 0.00 O ATOM 903 NE2 GLN A 60 22.920 8.047 8.465 1.00 0.00 N ATOM 0 H GLN A 60 20.843 3.155 6.512 1.00 0.00 H new ATOM 0 HA GLN A 60 20.190 5.468 4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.461 5.503 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.149 5.058 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.673 7.147 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.975 7.559 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.779 7.820 7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.967 8.506 9.375 1.00 0.00 H new ATOM 912 N GLU A 61 23.215 4.224 4.606 1.00 0.00 N ATOM 913 CA GLU A 61 24.443 4.310 3.761 1.00 0.00 C ATOM 914 C GLU A 61 24.087 4.096 2.288 1.00 0.00 C ATOM 915 O GLU A 61 24.482 4.856 1.427 1.00 0.00 O ATOM 916 CB GLU A 61 25.439 3.235 4.203 1.00 0.00 C ATOM 917 CG GLU A 61 26.782 3.467 3.508 1.00 0.00 C ATOM 918 CD GLU A 61 27.760 2.360 3.905 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.913 2.131 5.094 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.341 1.762 3.015 1.00 0.00 O ATOM 0 H GLU A 61 23.191 3.436 5.253 1.00 0.00 H new ATOM 0 HA GLU A 61 24.887 5.298 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.567 3.266 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 61 25.056 2.245 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.647 3.477 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.185 4.440 3.788 1.00 0.00 H new ATOM 927 N TYR A 62 23.350 3.062 1.990 1.00 0.00 N ATOM 928 CA TYR A 62 22.976 2.794 0.571 1.00 0.00 C ATOM 929 C TYR A 62 22.148 3.962 0.025 1.00 0.00 C ATOM 930 O TYR A 62 22.248 4.314 -1.133 1.00 0.00 O ATOM 931 CB TYR A 62 22.156 1.494 0.485 1.00 0.00 C ATOM 932 CG TYR A 62 23.076 0.283 0.467 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.066 0.119 1.459 1.00 0.00 C ATOM 934 CD2 TYR A 62 22.935 -0.686 -0.549 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.910 -1.009 1.432 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.779 -1.812 -0.573 1.00 0.00 C ATOM 937 CZ TYR A 62 24.766 -1.974 0.416 1.00 0.00 C ATOM 938 OH TYR A 62 25.594 -3.078 0.392 1.00 0.00 O ATOM 0 H TYR A 62 22.990 2.390 2.668 1.00 0.00 H new ATOM 0 HA TYR A 62 23.883 2.687 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.476 1.429 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.541 1.504 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.177 0.858 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.178 -0.563 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.668 -1.134 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.669 -2.552 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 62 25.361 -3.645 -0.373 1.00 0.00 H new ATOM 948 N VAL A 63 21.341 4.571 0.846 1.00 0.00 N ATOM 949 CA VAL A 63 20.528 5.716 0.363 1.00 0.00 C ATOM 950 C VAL A 63 21.477 6.845 -0.013 1.00 0.00 C ATOM 951 O VAL A 63 21.300 7.522 -1.003 1.00 0.00 O ATOM 952 CB VAL A 63 19.584 6.177 1.476 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.933 7.509 1.091 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.493 5.122 1.686 1.00 0.00 C ATOM 0 H VAL A 63 21.210 4.325 1.827 1.00 0.00 H new ATOM 0 HA VAL A 63 19.933 5.424 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 63 20.153 6.308 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.263 7.830 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.707 8.262 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.366 7.384 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.819 5.448 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.930 4.992 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.952 4.174 1.967 1.00 0.00 H new ATOM 964 N TYR A 64 22.491 7.041 0.777 1.00 0.00 N ATOM 965 CA TYR A 64 23.465 8.118 0.481 1.00 0.00 C ATOM 966 C TYR A 64 24.159 7.814 -0.846 1.00 0.00 C ATOM 967 O TYR A 64 24.357 8.680 -1.673 1.00 0.00 O ATOM 968 CB TYR A 64 24.506 8.177 1.602 1.00 0.00 C ATOM 969 CG TYR A 64 25.224 9.508 1.566 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.568 10.672 2.010 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.546 9.585 1.087 1.00 0.00 C ATOM 972 CE1 TYR A 64 25.235 11.913 1.976 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.213 10.825 1.053 1.00 0.00 C ATOM 974 CZ TYR A 64 26.557 11.988 1.498 1.00 0.00 C ATOM 975 OH TYR A 64 27.209 13.204 1.464 1.00 0.00 O ATOM 0 H TYR A 64 22.687 6.498 1.618 1.00 0.00 H new ATOM 0 HA TYR A 64 22.950 9.076 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 64 24.021 8.041 2.569 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.223 7.364 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.554 10.614 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 64 27.049 8.692 0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.732 12.806 2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.227 10.883 0.686 1.00 0.00 H new ATOM 0 HH TYR A 64 28.114 13.080 1.108 1.00 0.00 H new ATOM 985 N ASP A 65 24.531 6.584 -1.043 1.00 0.00 N ATOM 986 CA ASP A 65 25.221 6.199 -2.306 1.00 0.00 C ATOM 987 C ASP A 65 24.299 6.468 -3.498 1.00 0.00 C ATOM 988 O ASP A 65 24.739 6.847 -4.565 1.00 0.00 O ATOM 989 CB ASP A 65 25.568 4.708 -2.250 1.00 0.00 C ATOM 990 CG ASP A 65 26.813 4.499 -1.385 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.771 5.230 -1.573 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.786 3.612 -0.548 1.00 0.00 O ATOM 0 H ASP A 65 24.387 5.822 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 65 26.133 6.785 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.730 4.145 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.745 4.328 -3.256 1.00 0.00 H new ATOM 997 N LEU A 66 23.024 6.276 -3.322 1.00 0.00 N ATOM 998 CA LEU A 66 22.066 6.519 -4.437 1.00 0.00 C ATOM 999 C LEU A 66 21.933 8.025 -4.681 1.00 0.00 C ATOM 1000 O LEU A 66 21.692 8.465 -5.788 1.00 0.00 O ATOM 1001 CB LEU A 66 20.703 5.924 -4.053 1.00 0.00 C ATOM 1002 CG LEU A 66 20.693 4.401 -4.314 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.615 3.736 -3.456 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.379 4.117 -5.791 1.00 0.00 C ATOM 0 H LEU A 66 22.600 5.960 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 66 22.427 6.047 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.495 6.121 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 66 19.913 6.404 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 66 21.676 4.002 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.612 2.662 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.824 3.920 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.640 4.152 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.375 3.040 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.401 4.528 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.138 4.581 -6.420 1.00 0.00 H new ATOM 1016 N GLU A 67 22.097 8.815 -3.660 1.00 0.00 N ATOM 1017 CA GLU A 67 21.989 10.292 -3.837 1.00 0.00 C ATOM 1018 C GLU A 67 23.226 10.799 -4.575 1.00 0.00 C ATOM 1019 O GLU A 67 23.189 11.799 -5.264 1.00 0.00 O ATOM 1020 CB GLU A 67 21.911 10.965 -2.466 1.00 0.00 C ATOM 1021 CG GLU A 67 20.552 10.672 -1.838 1.00 0.00 C ATOM 1022 CD GLU A 67 20.400 11.476 -0.545 1.00 0.00 C ATOM 1023 OE1 GLU A 67 20.692 12.660 -0.568 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.997 10.893 0.447 1.00 0.00 O ATOM 0 H GLU A 67 22.301 8.505 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 67 21.092 10.527 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.709 10.597 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.053 12.041 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.755 10.931 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.459 9.606 -1.629 1.00 0.00 H new ATOM 1031 N LEU A 68 24.321 10.110 -4.436 1.00 0.00 N ATOM 1032 CA LEU A 68 25.568 10.542 -5.131 1.00 0.00 C ATOM 1033 C LEU A 68 25.488 10.157 -6.609 1.00 0.00 C ATOM 1034 O LEU A 68 25.014 10.913 -7.432 1.00 0.00 O ATOM 1035 CB LEU A 68 26.775 9.857 -4.497 1.00 0.00 C ATOM 1036 CG LEU A 68 26.932 10.313 -3.043 1.00 0.00 C ATOM 1037 CD1 LEU A 68 28.078 9.533 -2.410 1.00 0.00 C ATOM 1038 CD2 LEU A 68 27.238 11.825 -2.979 1.00 0.00 C ATOM 0 H LEU A 68 24.409 9.265 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 68 25.674 11.623 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.651 8.775 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.677 10.095 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 68 26.003 10.127 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 68 28.203 9.846 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.854 8.467 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 28.998 9.727 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.346 12.131 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 68 28.164 12.032 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.420 12.381 -3.437 1.00 0.00 H new ATOM 1050 N ASN A 69 25.947 8.983 -6.952 1.00 0.00 N ATOM 1051 CA ASN A 69 25.901 8.544 -8.378 1.00 0.00 C ATOM 1052 C ASN A 69 24.571 7.838 -8.651 1.00 0.00 C ATOM 1053 O ASN A 69 23.836 8.312 -9.502 1.00 0.00 O ATOM 1054 CB ASN A 69 27.054 7.575 -8.648 1.00 0.00 C ATOM 1055 CG ASN A 69 28.384 8.263 -8.338 1.00 0.00 C ATOM 1056 OD1 ASN A 69 28.435 9.466 -8.176 1.00 0.00 O ATOM 1057 ND2 ASN A 69 29.470 7.545 -8.247 1.00 0.00 N ATOM 1058 OXT ASN A 69 24.310 6.838 -8.004 1.00 0.00 O ATOM 0 H ASN A 69 26.353 8.307 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 69 25.993 9.413 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 69 26.943 6.681 -8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 69 27.034 7.251 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 69 30.362 7.994 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 69 29.427 6.535 -8.383 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 10.943 -20.992 -9.230 1.00 0.00 N ATOM 1067 CA ALA B 1 11.308 -19.735 -9.944 1.00 0.00 C ATOM 1068 C ALA B 1 11.706 -18.670 -8.900 1.00 0.00 C ATOM 1069 O ALA B 1 11.403 -18.824 -7.734 1.00 0.00 O ATOM 1070 CB ALA B 1 10.092 -19.263 -10.775 1.00 0.00 C ATOM 0 H1 ALA B 1 11.662 -21.720 -9.418 1.00 0.00 H new ATOM 0 H2 ALA B 1 10.895 -20.809 -8.207 1.00 0.00 H new ATOM 0 H3 ALA B 1 10.017 -21.325 -9.566 1.00 0.00 H new ATOM 0 HA ALA B 1 12.150 -19.901 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA B 1 10.346 -18.344 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA B 1 9.824 -20.034 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA B 1 9.247 -19.079 -10.111 1.00 0.00 H new ATOM 1078 N PRO B 2 12.365 -17.616 -9.341 1.00 0.00 N ATOM 1079 CA PRO B 2 12.784 -16.538 -8.427 1.00 0.00 C ATOM 1080 C PRO B 2 11.560 -15.980 -7.684 1.00 0.00 C ATOM 1081 O PRO B 2 10.656 -15.431 -8.282 1.00 0.00 O ATOM 1082 CB PRO B 2 13.432 -15.468 -9.340 1.00 0.00 C ATOM 1083 CG PRO B 2 13.351 -15.992 -10.804 1.00 0.00 C ATOM 1084 CD PRO B 2 12.740 -17.411 -10.758 1.00 0.00 C ATOM 0 HA PRO B 2 13.482 -16.878 -7.662 1.00 0.00 H new ATOM 0 HB2 PRO B 2 12.911 -14.515 -9.244 1.00 0.00 H new ATOM 0 HB3 PRO B 2 14.469 -15.295 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.737 -15.330 -11.414 1.00 0.00 H new ATOM 0 HG3 PRO B 2 14.342 -16.016 -11.258 1.00 0.00 H new ATOM 0 HD2 PRO B 2 11.872 -17.489 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO B 2 13.457 -18.161 -11.090 1.00 0.00 H new ATOM 1092 N MET B 3 11.528 -16.117 -6.386 1.00 0.00 N ATOM 1093 CA MET B 3 10.368 -15.595 -5.611 1.00 0.00 C ATOM 1094 C MET B 3 10.516 -14.084 -5.427 1.00 0.00 C ATOM 1095 O MET B 3 11.607 -13.574 -5.259 1.00 0.00 O ATOM 1096 CB MET B 3 10.324 -16.274 -4.239 1.00 0.00 C ATOM 1097 CG MET B 3 10.537 -17.779 -4.405 1.00 0.00 C ATOM 1098 SD MET B 3 10.422 -18.588 -2.790 1.00 0.00 S ATOM 1099 CE MET B 3 11.553 -19.956 -3.140 1.00 0.00 C ATOM 0 H MET B 3 12.255 -16.568 -5.830 1.00 0.00 H new ATOM 0 HA MET B 3 9.445 -15.807 -6.151 1.00 0.00 H new ATOM 0 HB2 MET B 3 11.094 -15.857 -3.591 1.00 0.00 H new ATOM 0 HB3 MET B 3 9.365 -16.083 -3.758 1.00 0.00 H new ATOM 0 HG2 MET B 3 9.789 -18.190 -5.083 1.00 0.00 H new ATOM 0 HG3 MET B 3 11.513 -17.972 -4.851 1.00 0.00 H new ATOM 0 HE1 MET B 3 11.633 -20.596 -2.261 1.00 0.00 H new ATOM 0 HE2 MET B 3 11.171 -20.538 -3.979 1.00 0.00 H new ATOM 0 HE3 MET B 3 12.537 -19.560 -3.391 1.00 0.00 H new ATOM 1109 N GLY B 4 9.430 -13.361 -5.459 1.00 0.00 N ATOM 1110 CA GLY B 4 9.515 -11.883 -5.286 1.00 0.00 C ATOM 1111 C GLY B 4 10.249 -11.559 -3.993 1.00 0.00 C ATOM 1112 O GLY B 4 10.566 -12.428 -3.205 1.00 0.00 O ATOM 0 H GLY B 4 8.489 -13.729 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.037 -11.438 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY B 4 8.514 -11.451 -5.265 1.00 0.00 H new ATOM 1116 N SER B 5 10.533 -10.308 -3.780 1.00 0.00 N ATOM 1117 CA SER B 5 11.261 -9.895 -2.552 1.00 0.00 C ATOM 1118 C SER B 5 10.270 -9.570 -1.426 1.00 0.00 C ATOM 1119 O SER B 5 9.704 -10.455 -0.816 1.00 0.00 O ATOM 1120 CB SER B 5 12.084 -8.664 -2.882 1.00 0.00 C ATOM 1121 OG SER B 5 11.268 -7.755 -3.609 1.00 0.00 O ATOM 0 H SER B 5 10.289 -9.545 -4.412 1.00 0.00 H new ATOM 0 HA SER B 5 11.906 -10.706 -2.214 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.449 -8.197 -1.967 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.959 -8.940 -3.470 1.00 0.00 H new ATOM 0 HG SER B 5 11.831 -7.206 -4.194 1.00 0.00 H new ATOM 1127 N ASP B 6 10.058 -8.305 -1.136 1.00 0.00 N ATOM 1128 CA ASP B 6 9.108 -7.943 -0.037 1.00 0.00 C ATOM 1129 C ASP B 6 8.608 -6.501 -0.225 1.00 0.00 C ATOM 1130 O ASP B 6 8.971 -5.629 0.540 1.00 0.00 O ATOM 1131 CB ASP B 6 9.825 -8.041 1.317 1.00 0.00 C ATOM 1132 CG ASP B 6 10.544 -9.388 1.425 1.00 0.00 C ATOM 1133 OD1 ASP B 6 9.863 -10.392 1.553 1.00 0.00 O ATOM 1134 OD2 ASP B 6 11.763 -9.392 1.377 1.00 0.00 O ATOM 0 H ASP B 6 10.498 -7.516 -1.609 1.00 0.00 H new ATOM 0 HA ASP B 6 8.263 -8.631 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.542 -7.226 1.419 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.105 -7.936 2.129 1.00 0.00 H new ATOM 1139 N PRO B 7 7.792 -6.282 -1.232 1.00 0.00 N ATOM 1140 CA PRO B 7 7.252 -4.935 -1.505 1.00 0.00 C ATOM 1141 C PRO B 7 6.354 -4.485 -0.330 1.00 0.00 C ATOM 1142 O PRO B 7 6.011 -5.289 0.513 1.00 0.00 O ATOM 1143 CB PRO B 7 6.441 -5.092 -2.814 1.00 0.00 C ATOM 1144 CG PRO B 7 6.536 -6.584 -3.249 1.00 0.00 C ATOM 1145 CD PRO B 7 7.351 -7.334 -2.171 1.00 0.00 C ATOM 0 HA PRO B 7 8.028 -4.177 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.401 -4.804 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO B 7 6.839 -4.440 -3.592 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.541 -7.018 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.019 -6.669 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.743 -8.085 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.202 -7.855 -2.610 1.00 0.00 H new ATOM 1153 N PRO B 8 5.992 -3.217 -0.309 1.00 0.00 N ATOM 1154 CA PRO B 8 5.129 -2.674 0.761 1.00 0.00 C ATOM 1155 C PRO B 8 3.763 -3.379 0.740 1.00 0.00 C ATOM 1156 O PRO B 8 3.618 -4.459 0.203 1.00 0.00 O ATOM 1157 CB PRO B 8 4.988 -1.168 0.432 1.00 0.00 C ATOM 1158 CG PRO B 8 5.680 -0.925 -0.940 1.00 0.00 C ATOM 1159 CD PRO B 8 6.406 -2.231 -1.332 1.00 0.00 C ATOM 0 HA PRO B 8 5.544 -2.828 1.757 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.937 -0.881 0.388 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.452 -0.560 1.209 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.945 -0.653 -1.697 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.388 -0.099 -0.871 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.121 -2.556 -2.333 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.488 -2.096 -1.336 1.00 0.00 H new ATOM 1167 N THR B 9 2.763 -2.768 1.321 1.00 0.00 N ATOM 1168 CA THR B 9 1.405 -3.391 1.338 1.00 0.00 C ATOM 1169 C THR B 9 0.343 -2.296 1.352 1.00 0.00 C ATOM 1170 O THR B 9 0.341 -1.424 2.199 1.00 0.00 O ATOM 1171 CB THR B 9 1.256 -4.258 2.588 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.400 -5.089 2.723 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.001 -5.127 2.466 1.00 0.00 C ATOM 0 H THR B 9 2.828 -1.862 1.786 1.00 0.00 H new ATOM 0 HA THR B 9 1.279 -4.009 0.449 1.00 0.00 H new ATOM 0 HB THR B 9 1.165 -3.618 3.466 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.440 -5.446 3.635 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.103 -5.744 3.359 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.876 -4.488 2.363 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.087 -5.769 1.589 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.561 -2.334 0.415 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.628 -1.299 0.359 1.00 0.00 C ATOM 1183 C ALA B 10 -2.581 -1.473 1.543 1.00 0.00 C ATOM 1184 O ALA B 10 -3.634 -2.068 1.419 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.409 -1.457 -0.945 1.00 0.00 C ATOM 0 H ALA B 10 -0.607 -3.041 -0.318 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.176 -0.308 0.404 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.193 -0.701 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.733 -1.333 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.858 -2.449 -0.982 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.224 -0.944 2.686 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.105 -1.055 3.891 1.00 0.00 C ATOM 1193 C CYS B 11 -3.703 0.322 4.182 1.00 0.00 C ATOM 1194 O CYS B 11 -3.011 1.322 4.176 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.274 -1.518 5.092 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.421 -3.062 4.679 1.00 0.00 S ATOM 0 H CYS B 11 -1.353 -0.436 2.838 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.900 -1.778 3.709 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.549 -0.751 5.363 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.919 -1.667 5.958 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.983 0.390 4.421 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.617 1.709 4.699 1.00 0.00 C ATOM 1203 C CYS B 12 -5.157 2.222 6.065 1.00 0.00 C ATOM 1204 O CYS B 12 -5.043 1.472 7.014 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.141 1.561 4.697 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.701 1.078 3.045 1.00 0.00 S ATOM 0 H CYS B 12 -5.617 -0.409 4.436 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.322 2.418 3.926 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.445 0.812 5.429 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.608 2.501 4.990 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.904 3.501 6.171 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.459 4.086 7.474 1.00 0.00 C ATOM 1213 C PHE B 13 -5.654 4.792 8.121 1.00 0.00 C ATOM 1214 O PHE B 13 -5.654 5.098 9.297 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.338 5.101 7.218 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.903 6.303 6.500 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.178 6.231 5.122 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.169 7.487 7.213 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.716 7.347 4.456 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.709 8.603 6.547 1.00 0.00 C ATOM 1221 CZ PHE B 13 -4.982 8.534 5.167 1.00 0.00 C ATOM 0 H PHE B 13 -4.987 4.171 5.406 1.00 0.00 H new ATOM 0 HA PHE B 13 -4.087 3.302 8.133 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.887 5.407 8.162 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.549 4.645 6.620 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.976 5.321 4.577 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.959 7.539 8.271 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -4.926 7.294 3.398 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -4.914 9.512 7.094 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.395 9.390 4.654 1.00 0.00 H new ATOM 1231 N SER B 14 -6.674 5.047 7.347 1.00 0.00 N ATOM 1232 CA SER B 14 -7.883 5.730 7.882 1.00 0.00 C ATOM 1233 C SER B 14 -9.081 5.372 7.000 1.00 0.00 C ATOM 1234 O SER B 14 -9.091 4.349 6.346 1.00 0.00 O ATOM 1235 CB SER B 14 -7.667 7.244 7.864 1.00 0.00 C ATOM 1236 OG SER B 14 -7.421 7.668 6.529 1.00 0.00 O ATOM 0 H SER B 14 -6.720 4.808 6.356 1.00 0.00 H new ATOM 0 HA SER B 14 -8.068 5.409 8.907 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.544 7.753 8.263 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.825 7.510 8.503 1.00 0.00 H new ATOM 0 HG SER B 14 -6.474 7.536 6.313 1.00 0.00 H new ATOM 1242 N TYR B 15 -10.093 6.198 6.974 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.286 5.887 6.131 1.00 0.00 C ATOM 1244 C TYR B 15 -12.005 7.185 5.760 1.00 0.00 C ATOM 1245 O TYR B 15 -11.854 8.197 6.414 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.245 4.982 6.917 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.454 3.965 7.702 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.066 2.754 7.099 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -11.103 4.229 9.040 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.325 1.807 7.834 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.362 3.284 9.774 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.974 2.073 9.171 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.248 1.145 9.890 1.00 0.00 O ATOM 0 H TYR B 15 -10.146 7.072 7.498 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.964 5.378 5.223 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.856 5.582 7.592 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.927 4.477 6.233 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.336 2.550 6.073 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.403 5.157 9.503 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.027 0.878 7.372 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -10.091 3.488 10.799 1.00 0.00 H new ATOM 0 HH TYR B 15 -9.089 1.484 10.795 1.00 0.00 H new ATOM 1263 N THR B 16 -12.796 7.161 4.722 1.00 0.00 N ATOM 1264 CA THR B 16 -13.528 8.398 4.331 1.00 0.00 C ATOM 1265 C THR B 16 -14.442 8.813 5.488 1.00 0.00 C ATOM 1266 O THR B 16 -14.246 8.407 6.616 1.00 0.00 O ATOM 1267 CB THR B 16 -14.347 8.142 3.057 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.112 9.297 2.743 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.281 6.948 3.259 1.00 0.00 C ATOM 0 H THR B 16 -12.966 6.346 4.133 1.00 0.00 H new ATOM 0 HA THR B 16 -12.822 9.201 4.123 1.00 0.00 H new ATOM 0 HB THR B 16 -13.664 7.921 2.236 1.00 0.00 H new ATOM 0 HG1 THR B 16 -14.551 10.095 2.833 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.856 6.777 2.349 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.692 6.060 3.488 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.962 7.154 4.085 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.436 9.618 5.226 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.355 10.057 6.318 1.00 0.00 C ATOM 1279 C ALA B 17 -17.766 10.200 5.754 1.00 0.00 C ATOM 1280 O ALA B 17 -18.620 10.831 6.344 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.888 11.408 6.860 1.00 0.00 C ATOM 0 H ALA B 17 -15.652 9.992 4.302 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.351 9.321 7.122 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.557 11.731 7.657 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.876 11.312 7.252 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.898 12.145 6.057 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.015 9.621 4.610 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.368 9.724 3.989 1.00 0.00 C ATOM 1289 C ARG B 18 -19.724 8.404 3.303 1.00 0.00 C ATOM 1290 O ARG B 18 -18.971 7.886 2.503 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.355 10.846 2.949 1.00 0.00 C ATOM 1292 CG ARG B 18 -18.831 12.135 3.595 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.229 13.343 2.747 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.042 13.035 1.290 1.00 0.00 N ATOM 1295 CZ ARG B 18 -17.889 12.642 0.815 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -16.820 12.673 1.562 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -17.798 12.265 -0.431 1.00 0.00 N ATOM 0 H ARG B 18 -17.336 9.078 4.076 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.107 9.939 4.760 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.724 10.567 2.105 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.360 11.005 2.557 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.236 12.238 4.602 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.746 12.089 3.691 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.269 13.606 2.940 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -18.625 14.207 3.024 1.00 0.00 H new ATOM 0 HE ARG B 18 -19.834 13.135 0.655 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -16.880 13.006 2.524 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -15.924 12.365 1.184 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.624 12.278 -1.029 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -16.901 11.958 -0.807 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.873 7.864 3.600 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.285 6.587 2.955 1.00 0.00 C ATOM 1313 C LYS B 19 -21.428 6.833 1.451 1.00 0.00 C ATOM 1314 O LYS B 19 -22.135 7.722 1.022 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.626 6.132 3.567 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.223 4.933 2.802 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.702 4.759 3.170 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.883 4.776 4.692 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.905 6.185 5.177 1.00 0.00 N ATOM 0 H LYS B 19 -21.545 8.252 4.262 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.544 5.805 3.120 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.476 5.859 4.612 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.333 6.962 3.553 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.123 5.090 1.728 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.670 4.025 3.044 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.291 5.557 2.719 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.076 3.819 2.764 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.811 4.273 4.964 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.071 4.228 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.972 6.434 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.132 6.821 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.626 6.285 5.920 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.763 6.049 0.648 1.00 0.00 N ATOM 1334 CA LEU B 20 -20.862 6.237 -0.826 1.00 0.00 C ATOM 1335 C LEU B 20 -22.236 5.721 -1.313 1.00 0.00 C ATOM 1336 O LEU B 20 -22.528 4.559 -1.117 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.771 5.413 -1.513 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.426 5.627 -0.820 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.331 4.953 -1.647 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.127 7.126 -0.707 1.00 0.00 C ATOM 0 H LEU B 20 -20.156 5.287 0.949 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.747 7.294 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.035 4.356 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.696 5.699 -2.562 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.460 5.196 0.180 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.366 5.099 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.539 3.886 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.306 5.392 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.167 7.269 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.091 7.566 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -18.911 7.611 -0.125 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.048 6.555 -1.946 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.356 6.087 -2.442 1.00 0.00 C ATOM 1354 C PRO B 21 -24.156 4.875 -3.355 1.00 0.00 C ATOM 1355 O PRO B 21 -23.189 4.795 -4.082 1.00 0.00 O ATOM 1356 CB PRO B 21 -24.937 7.282 -3.230 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.015 8.504 -2.960 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.763 7.983 -2.220 1.00 0.00 C ATOM 0 HA PRO B 21 -25.024 5.775 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -24.976 7.057 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -25.958 7.493 -2.912 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.734 8.987 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.533 9.251 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -21.867 8.097 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.591 8.536 -1.296 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.068 3.943 -3.340 1.00 0.00 N ATOM 1367 CA ARG B 22 -24.922 2.762 -4.234 1.00 0.00 C ATOM 1368 C ARG B 22 -24.639 3.256 -5.653 1.00 0.00 C ATOM 1369 O ARG B 22 -23.922 2.634 -6.411 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.211 1.944 -4.222 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.033 0.714 -5.123 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.245 -0.229 -4.998 1.00 0.00 C ATOM 1373 NE ARG B 22 -26.778 -1.653 -4.984 1.00 0.00 N ATOM 1374 CZ ARG B 22 -25.907 -2.089 -5.857 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -25.538 -1.339 -6.858 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -25.440 -3.303 -5.753 1.00 0.00 N ATOM 0 H ARG B 22 -25.902 3.948 -2.752 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.102 2.133 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.450 1.634 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.045 2.551 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -25.916 1.030 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.122 0.183 -4.847 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.797 -0.008 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -27.930 -0.069 -5.831 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.146 -2.294 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -25.929 -0.403 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -24.858 -1.688 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -25.754 -3.907 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -24.761 -3.648 -6.431 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.198 4.382 -6.010 1.00 0.00 N ATOM 1391 CA ASN B 23 -24.966 4.938 -7.372 1.00 0.00 C ATOM 1392 C ASN B 23 -23.538 5.480 -7.470 1.00 0.00 C ATOM 1393 O ASN B 23 -23.210 6.223 -8.374 1.00 0.00 O ATOM 1394 CB ASN B 23 -25.961 6.070 -7.636 1.00 0.00 C ATOM 1395 CG ASN B 23 -25.765 6.603 -9.057 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.301 6.058 -10.002 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -25.012 7.651 -9.250 1.00 0.00 N ATOM 0 H ASN B 23 -25.807 4.941 -5.413 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.105 4.151 -8.113 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.981 5.708 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -25.816 6.872 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -24.873 8.013 -10.194 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -24.562 8.109 -8.457 1.00 0.00 H new ATOM 1404 N PHE B 24 -22.689 5.122 -6.541 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.278 5.623 -6.569 1.00 0.00 C ATOM 1406 C PHE B 24 -20.339 4.481 -6.169 1.00 0.00 C ATOM 1407 O PHE B 24 -19.268 4.698 -5.638 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.143 6.785 -5.568 1.00 0.00 C ATOM 1409 CG PHE B 24 -19.960 7.661 -5.925 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -19.936 8.338 -7.161 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -18.891 7.815 -5.019 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -18.846 9.163 -7.490 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -17.800 8.640 -5.351 1.00 0.00 C ATOM 1414 CZ PHE B 24 -17.778 9.315 -6.585 1.00 0.00 C ATOM 0 H PHE B 24 -22.911 4.503 -5.761 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.019 5.973 -7.568 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.056 7.380 -5.568 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.019 6.391 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -20.755 8.223 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -18.909 7.300 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -18.828 9.681 -8.438 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -16.980 8.755 -4.658 1.00 0.00 H new ATOM 0 HZ PHE B 24 -16.942 9.950 -6.838 1.00 0.00 H new ATOM 1424 N VAL B 25 -20.739 3.264 -6.427 1.00 0.00 N ATOM 1425 CA VAL B 25 -19.885 2.091 -6.071 1.00 0.00 C ATOM 1426 C VAL B 25 -20.140 0.972 -7.080 1.00 0.00 C ATOM 1427 O VAL B 25 -21.005 0.140 -6.894 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.248 1.601 -4.666 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.308 0.466 -4.258 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.108 2.751 -3.669 1.00 0.00 C ATOM 0 H VAL B 25 -21.626 3.030 -6.872 1.00 0.00 H new ATOM 0 HA VAL B 25 -18.834 2.379 -6.091 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.277 1.241 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.569 0.119 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.405 -0.358 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.279 0.827 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.367 2.400 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.079 3.112 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -20.778 3.563 -3.953 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.397 0.949 -8.153 1.00 0.00 N ATOM 1441 CA VAL B 26 -19.598 -0.110 -9.180 1.00 0.00 C ATOM 1442 C VAL B 26 -18.843 -1.371 -8.770 1.00 0.00 C ATOM 1443 O VAL B 26 -19.033 -2.429 -9.334 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.069 0.385 -10.523 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -19.994 1.475 -11.064 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -17.662 0.959 -10.337 1.00 0.00 C ATOM 0 H VAL B 26 -18.658 1.620 -8.362 1.00 0.00 H new ATOM 0 HA VAL B 26 -20.661 -0.338 -9.265 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.033 -0.446 -11.228 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -19.617 1.829 -12.023 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -20.997 1.069 -11.196 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.029 2.306 -10.359 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.284 1.313 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -17.698 1.790 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.001 0.184 -9.950 1.00 0.00 H new ATOM 1456 N ASP B 27 -17.986 -1.271 -7.795 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.226 -2.474 -7.364 1.00 0.00 C ATOM 1458 C ASP B 27 -16.481 -2.162 -6.071 1.00 0.00 C ATOM 1459 O ASP B 27 -16.660 -1.118 -5.476 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.219 -2.856 -8.451 1.00 0.00 C ATOM 1461 CG ASP B 27 -15.676 -4.259 -8.175 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.434 -5.205 -8.313 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.510 -4.364 -7.831 1.00 0.00 O ATOM 0 H ASP B 27 -17.780 -0.414 -7.281 1.00 0.00 H new ATOM 0 HA ASP B 27 -17.915 -3.302 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -16.696 -2.826 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.401 -2.136 -8.473 1.00 0.00 H new ATOM 1468 N TYR B 28 -15.643 -3.057 -5.630 1.00 0.00 N ATOM 1469 CA TYR B 28 -14.885 -2.804 -4.377 1.00 0.00 C ATOM 1470 C TYR B 28 -13.607 -3.633 -4.368 1.00 0.00 C ATOM 1471 O TYR B 28 -13.272 -4.305 -5.323 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.747 -3.148 -3.155 1.00 0.00 C ATOM 1473 CG TYR B 28 -15.876 -4.650 -2.992 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.510 -5.418 -3.988 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.375 -5.279 -1.834 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.641 -6.809 -3.828 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.505 -6.670 -1.673 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.139 -7.437 -2.670 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.270 -8.802 -2.513 1.00 0.00 O ATOM 0 H TYR B 28 -15.451 -3.951 -6.083 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.623 -1.747 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.302 -2.717 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.736 -2.703 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -16.896 -4.938 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.890 -4.691 -1.069 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.127 -7.397 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.119 -7.150 -0.786 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.870 -9.073 -1.661 1.00 0.00 H new ATOM 1489 N TYR B 29 -12.888 -3.570 -3.293 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.616 -4.323 -3.191 1.00 0.00 C ATOM 1491 C TYR B 29 -11.236 -4.424 -1.709 1.00 0.00 C ATOM 1492 O TYR B 29 -11.403 -3.486 -0.962 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.545 -3.558 -3.985 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.159 -3.986 -3.564 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.688 -5.266 -3.903 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.342 -3.103 -2.832 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.398 -5.668 -3.509 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.051 -3.503 -2.438 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.578 -4.786 -2.776 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.314 -5.180 -2.390 1.00 0.00 O ATOM 0 H TYR B 29 -13.130 -3.021 -2.468 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.708 -5.329 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -10.678 -3.739 -5.052 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.664 -2.486 -3.826 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.316 -5.941 -4.466 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.706 -2.120 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.036 -6.652 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.424 -2.826 -1.877 1.00 0.00 H new ATOM 0 HH TYR B 29 -4.882 -4.454 -1.894 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.731 -5.547 -1.274 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.345 -5.684 0.166 1.00 0.00 C ATOM 1512 C GLU B 30 -8.842 -5.424 0.307 1.00 0.00 C ATOM 1513 O GLU B 30 -8.084 -5.580 -0.630 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.670 -7.099 0.651 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.173 -7.222 0.913 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.483 -8.612 1.471 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.581 -9.225 2.016 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.618 -9.040 1.343 1.00 0.00 O ATOM 0 H GLU B 30 -10.568 -6.374 -1.848 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.900 -4.964 0.767 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.360 -7.830 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.113 -7.319 1.562 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.494 -6.456 1.619 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.728 -7.057 -0.010 1.00 0.00 H new ATOM 1525 N THR B 31 -8.409 -5.016 1.468 1.00 0.00 N ATOM 1526 CA THR B 31 -6.958 -4.731 1.672 1.00 0.00 C ATOM 1527 C THR B 31 -6.165 -6.036 1.704 1.00 0.00 C ATOM 1528 O THR B 31 -6.660 -7.092 1.363 1.00 0.00 O ATOM 1529 CB THR B 31 -6.774 -4.007 3.003 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.513 -4.688 3.999 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.273 -2.568 2.869 1.00 0.00 C ATOM 0 H THR B 31 -8.998 -4.867 2.287 1.00 0.00 H new ATOM 0 HA THR B 31 -6.597 -4.111 0.851 1.00 0.00 H new ATOM 0 HB THR B 31 -5.720 -3.991 3.281 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.508 -5.650 3.810 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.143 -2.048 3.818 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.703 -2.056 2.094 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.329 -2.573 2.600 1.00 0.00 H new ATOM 1539 N SER B 32 -4.930 -5.964 2.122 1.00 0.00 N ATOM 1540 CA SER B 32 -4.085 -7.187 2.192 1.00 0.00 C ATOM 1541 C SER B 32 -4.345 -7.907 3.515 1.00 0.00 C ATOM 1542 O SER B 32 -5.435 -7.879 4.049 1.00 0.00 O ATOM 1543 CB SER B 32 -2.611 -6.789 2.114 1.00 0.00 C ATOM 1544 OG SER B 32 -1.817 -7.956 1.950 1.00 0.00 O ATOM 0 H SER B 32 -4.469 -5.104 2.419 1.00 0.00 H new ATOM 0 HA SER B 32 -4.330 -7.849 1.361 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.451 -6.106 1.280 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.317 -6.260 3.020 1.00 0.00 H new ATOM 0 HG SER B 32 -0.896 -7.698 1.739 1.00 0.00 H new ATOM 1550 N SER B 33 -3.342 -8.549 4.044 1.00 0.00 N ATOM 1551 CA SER B 33 -3.497 -9.282 5.338 1.00 0.00 C ATOM 1552 C SER B 33 -2.254 -9.038 6.186 1.00 0.00 C ATOM 1553 O SER B 33 -2.319 -8.931 7.395 1.00 0.00 O ATOM 1554 CB SER B 33 -3.617 -10.775 5.053 1.00 0.00 C ATOM 1555 OG SER B 33 -2.319 -11.319 4.849 1.00 0.00 O ATOM 0 H SER B 33 -2.410 -8.600 3.633 1.00 0.00 H new ATOM 0 HA SER B 33 -4.387 -8.934 5.863 1.00 0.00 H new ATOM 0 HB2 SER B 33 -4.108 -11.278 5.886 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.236 -10.940 4.171 1.00 0.00 H new ATOM 0 HG SER B 33 -2.392 -12.279 4.667 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.122 -8.955 5.542 1.00 0.00 N ATOM 1562 CA LEU B 34 0.165 -8.719 6.262 1.00 0.00 C ATOM 1563 C LEU B 34 -0.036 -7.712 7.395 1.00 0.00 C ATOM 1564 O LEU B 34 0.244 -7.988 8.545 1.00 0.00 O ATOM 1565 CB LEU B 34 1.200 -8.163 5.280 1.00 0.00 C ATOM 1566 CG LEU B 34 1.109 -8.902 3.943 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.270 -8.471 3.042 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.179 -10.414 4.185 1.00 0.00 C ATOM 0 H LEU B 34 -1.032 -9.042 4.530 1.00 0.00 H new ATOM 0 HA LEU B 34 0.512 -9.664 6.680 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.031 -7.097 5.127 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.202 -8.271 5.696 1.00 0.00 H new ATOM 0 HG LEU B 34 0.164 -8.659 3.458 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.206 -8.997 2.089 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.216 -7.396 2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.216 -8.712 3.527 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.114 -10.938 3.232 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.122 -10.661 4.672 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.350 -10.719 4.824 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.516 -6.546 7.074 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.731 -5.519 8.128 1.00 0.00 C ATOM 1582 C CYS B 35 -1.901 -5.948 9.021 1.00 0.00 C ATOM 1583 O CYS B 35 -2.959 -6.303 8.549 1.00 0.00 O ATOM 1584 CB CYS B 35 -1.031 -4.163 7.474 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.104 -4.398 6.035 1.00 0.00 S ATOM 0 H CYS B 35 -0.769 -6.259 6.128 1.00 0.00 H new ATOM 0 HA CYS B 35 0.168 -5.423 8.738 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.513 -3.501 8.194 1.00 0.00 H new ATOM 0 HB3 CYS B 35 -0.101 -3.682 7.171 1.00 0.00 H new ATOM 1590 N SER B 36 -1.703 -5.946 10.309 1.00 0.00 N ATOM 1591 CA SER B 36 -2.788 -6.369 11.245 1.00 0.00 C ATOM 1592 C SER B 36 -3.970 -5.387 11.216 1.00 0.00 C ATOM 1593 O SER B 36 -4.634 -5.195 12.216 1.00 0.00 O ATOM 1594 CB SER B 36 -2.226 -6.434 12.666 1.00 0.00 C ATOM 1595 OG SER B 36 -1.096 -7.297 12.685 1.00 0.00 O ATOM 0 H SER B 36 -0.831 -5.668 10.759 1.00 0.00 H new ATOM 0 HA SER B 36 -3.149 -7.348 10.929 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.942 -5.437 13.003 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.988 -6.799 13.355 1.00 0.00 H new ATOM 0 HG SER B 36 -0.732 -7.340 13.594 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.254 -4.755 10.103 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.406 -3.796 10.081 1.00 0.00 C ATOM 1603 C GLN B 37 -5.978 -3.656 8.662 1.00 0.00 C ATOM 1604 O GLN B 37 -5.883 -2.600 8.074 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.925 -2.425 10.568 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.603 -2.071 9.885 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.301 -0.585 10.095 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.856 0.260 9.421 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.439 -0.230 11.007 1.00 0.00 N ATOM 0 H GLN B 37 -3.749 -4.858 9.223 1.00 0.00 H new ATOM 0 HA GLN B 37 -6.190 -4.178 10.734 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.675 -1.666 10.346 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.795 -2.438 11.650 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.796 -2.678 10.295 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.661 -2.294 8.820 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -1.973 -0.940 11.573 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.230 0.757 11.155 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.577 -4.713 8.156 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.185 -4.687 6.811 1.00 0.00 C ATOM 1620 C PRO B 38 -8.438 -3.796 6.834 1.00 0.00 C ATOM 1621 O PRO B 38 -8.818 -3.261 7.857 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.553 -6.161 6.518 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.343 -6.963 7.837 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.690 -6.008 8.863 1.00 0.00 C ATOM 0 HA PRO B 38 -6.521 -4.282 6.048 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.587 -6.239 6.181 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.927 -6.562 5.721 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.295 -7.337 8.214 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.706 -7.830 7.661 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.300 -5.916 9.762 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.712 -6.374 9.177 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.076 -3.647 5.712 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.301 -2.812 5.630 1.00 0.00 C ATOM 1634 C ALA B 39 -10.950 -3.067 4.275 1.00 0.00 C ATOM 1635 O ALA B 39 -10.351 -3.666 3.404 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.927 -1.333 5.746 1.00 0.00 C ATOM 0 H ALA B 39 -8.795 -4.077 4.831 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.987 -3.065 6.438 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.829 -0.724 5.685 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.433 -1.156 6.702 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.252 -1.064 4.934 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.152 -2.601 4.067 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.805 -2.806 2.739 1.00 0.00 C ATOM 1644 C VAL B 40 -12.577 -1.543 1.918 1.00 0.00 C ATOM 1645 O VAL B 40 -12.575 -0.445 2.440 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.309 -3.057 2.920 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.036 -2.861 1.584 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.522 -4.495 3.391 1.00 0.00 C ATOM 0 H VAL B 40 -12.708 -2.090 4.753 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.381 -3.673 2.233 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.704 -2.356 3.655 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.102 -3.041 1.720 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.882 -1.841 1.232 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.641 -3.562 0.849 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.588 -4.681 3.522 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.122 -5.184 2.647 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.008 -4.647 4.340 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.364 -1.699 0.642 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.104 -0.521 -0.243 1.00 0.00 C ATOM 1660 C VAL B 41 -13.176 -0.457 -1.335 1.00 0.00 C ATOM 1661 O VAL B 41 -13.309 -1.354 -2.136 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.718 -0.686 -0.871 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.209 0.659 -1.374 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.748 -1.222 0.186 1.00 0.00 C ATOM 0 H VAL B 41 -12.358 -2.601 0.166 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.139 0.404 0.333 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.785 -1.382 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.222 0.531 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -10.897 1.051 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.143 1.358 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.759 -1.342 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.692 -0.520 1.018 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.102 -2.187 0.549 1.00 0.00 H new ATOM 1674 N PHE B 42 -13.954 0.592 -1.369 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.027 0.693 -2.406 1.00 0.00 C ATOM 1676 C PHE B 42 -14.494 1.392 -3.660 1.00 0.00 C ATOM 1677 O PHE B 42 -13.804 2.389 -3.587 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.202 1.507 -1.851 1.00 0.00 C ATOM 1679 CG PHE B 42 -16.991 0.671 -0.867 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.672 -0.480 -1.308 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.054 1.049 0.490 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.412 -1.254 -0.394 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.795 0.275 1.402 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.474 -0.876 0.960 1.00 0.00 C ATOM 0 H PHE B 42 -13.895 1.382 -0.727 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.355 -0.314 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -15.832 2.408 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -16.849 1.830 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.627 -0.769 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.534 1.932 0.829 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -18.932 -2.138 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.843 0.564 2.441 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.043 -1.469 1.660 1.00 0.00 H new ATOM 1694 N GLN B 43 -14.839 0.882 -4.814 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.395 1.510 -6.094 1.00 0.00 C ATOM 1696 C GLN B 43 -15.561 2.356 -6.616 1.00 0.00 C ATOM 1697 O GLN B 43 -16.658 1.851 -6.792 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.045 0.406 -7.094 1.00 0.00 C ATOM 1699 CG GLN B 43 -12.841 -0.387 -6.580 1.00 0.00 C ATOM 1700 CD GLN B 43 -12.716 -1.695 -7.364 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.343 -2.712 -6.815 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.016 -1.710 -8.634 1.00 0.00 N ATOM 0 H GLN B 43 -15.416 0.048 -4.925 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.515 2.136 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -14.899 -0.258 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -13.818 0.841 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -11.931 0.203 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -12.959 -0.598 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -13.329 -0.855 -9.094 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.937 -2.576 -9.166 1.00 0.00 H new ATOM 1711 N THR B 44 -15.365 3.645 -6.820 1.00 0.00 N ATOM 1712 CA THR B 44 -16.521 4.509 -7.271 1.00 0.00 C ATOM 1713 C THR B 44 -16.514 4.741 -8.783 1.00 0.00 C ATOM 1714 O THR B 44 -15.954 3.982 -9.548 1.00 0.00 O ATOM 1715 CB THR B 44 -16.449 5.867 -6.575 1.00 0.00 C ATOM 1716 OG1 THR B 44 -15.537 6.701 -7.271 1.00 0.00 O ATOM 1717 CG2 THR B 44 -15.969 5.675 -5.137 1.00 0.00 C ATOM 0 H THR B 44 -14.476 4.130 -6.698 1.00 0.00 H new ATOM 0 HA THR B 44 -17.438 3.982 -7.008 1.00 0.00 H new ATOM 0 HB THR B 44 -17.436 6.330 -6.569 1.00 0.00 H new ATOM 0 HG1 THR B 44 -15.828 7.634 -7.201 1.00 0.00 H new ATOM 0 HG21 THR B 44 -15.917 6.643 -4.639 1.00 0.00 H new ATOM 0 HG22 THR B 44 -16.667 5.029 -4.604 1.00 0.00 H new ATOM 0 HG23 THR B 44 -14.981 5.216 -5.142 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.168 5.803 -9.204 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.260 6.138 -10.660 1.00 0.00 C ATOM 1727 C LYS B 45 -16.473 7.420 -10.957 1.00 0.00 C ATOM 1728 O LYS B 45 -16.079 7.661 -12.082 1.00 0.00 O ATOM 1729 CB LYS B 45 -18.732 6.370 -11.028 1.00 0.00 C ATOM 1730 CG LYS B 45 -19.608 5.269 -10.426 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.074 5.544 -10.775 1.00 0.00 C ATOM 1732 CE LYS B 45 -21.927 4.314 -10.453 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.359 4.716 -10.357 1.00 0.00 N ATOM 0 H LYS B 45 -17.648 6.459 -8.588 1.00 0.00 H new ATOM 0 HA LYS B 45 -16.846 5.315 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.057 7.344 -10.662 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -18.846 6.383 -12.112 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.306 4.296 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -19.479 5.236 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.435 6.405 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.164 5.793 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -21.801 3.558 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -21.600 3.866 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -23.914 3.932 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.445 5.549 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.719 4.948 -11.305 1.00 0.00 H new ATOM 1747 N ARG B 46 -16.241 8.249 -9.961 1.00 0.00 N ATOM 1748 CA ARG B 46 -15.481 9.527 -10.183 1.00 0.00 C ATOM 1749 C ARG B 46 -14.352 9.597 -9.156 1.00 0.00 C ATOM 1750 O ARG B 46 -14.125 10.598 -8.511 1.00 0.00 O ATOM 1751 CB ARG B 46 -16.437 10.729 -10.026 1.00 0.00 C ATOM 1752 CG ARG B 46 -15.722 12.097 -10.189 1.00 0.00 C ATOM 1753 CD ARG B 46 -14.609 12.043 -11.242 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.147 11.484 -12.516 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.469 11.610 -13.623 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -13.318 12.226 -13.617 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.941 11.122 -14.737 1.00 0.00 N ATOM 0 H ARG B 46 -16.547 8.095 -9.000 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.060 9.555 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -17.234 10.651 -10.765 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -16.908 10.686 -9.044 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.452 12.856 -10.472 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -15.300 12.402 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -14.208 13.042 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -13.785 11.426 -10.883 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.046 11.003 -12.521 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -12.949 12.609 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -12.788 12.325 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -15.841 10.642 -14.743 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -14.410 11.221 -15.602 1.00 0.00 H new ATOM 1771 N SER B 47 -13.635 8.526 -9.017 1.00 0.00 N ATOM 1772 CA SER B 47 -12.512 8.488 -8.067 1.00 0.00 C ATOM 1773 C SER B 47 -11.677 7.269 -8.424 1.00 0.00 C ATOM 1774 O SER B 47 -11.305 7.071 -9.564 1.00 0.00 O ATOM 1775 CB SER B 47 -13.037 8.383 -6.628 1.00 0.00 C ATOM 1776 OG SER B 47 -13.441 7.048 -6.358 1.00 0.00 O ATOM 0 H SER B 47 -13.787 7.660 -9.535 1.00 0.00 H new ATOM 0 HA SER B 47 -11.914 9.397 -8.128 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.261 8.687 -5.925 1.00 0.00 H new ATOM 0 HB3 SER B 47 -13.878 9.062 -6.488 1.00 0.00 H new ATOM 0 HG SER B 47 -14.323 6.887 -6.754 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.409 6.436 -7.479 1.00 0.00 N ATOM 1783 CA LYS B 48 -10.629 5.204 -7.754 1.00 0.00 C ATOM 1784 C LYS B 48 -11.009 4.189 -6.679 1.00 0.00 C ATOM 1785 O LYS B 48 -11.829 3.318 -6.890 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.080 5.454 -7.744 1.00 0.00 C ATOM 1787 CG LYS B 48 -8.709 6.953 -7.775 1.00 0.00 C ATOM 1788 CD LYS B 48 -9.117 7.658 -6.455 1.00 0.00 C ATOM 1789 CE LYS B 48 -8.073 8.717 -6.071 1.00 0.00 C ATOM 1790 NZ LYS B 48 -8.057 9.795 -7.100 1.00 0.00 N ATOM 0 H LYS B 48 -11.699 6.552 -6.508 1.00 0.00 H new ATOM 0 HA LYS B 48 -10.866 4.842 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.650 4.998 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.632 4.957 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -7.636 7.062 -7.932 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.205 7.436 -8.617 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.094 8.127 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.210 6.923 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.308 9.137 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.087 8.259 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -7.522 10.611 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -7.606 9.440 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -9.032 10.087 -7.312 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.419 4.318 -5.522 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.706 3.388 -4.396 1.00 0.00 C ATOM 1806 C GLN B 49 -10.897 4.211 -3.112 1.00 0.00 C ATOM 1807 O GLN B 49 -10.274 5.243 -2.924 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.499 2.434 -4.251 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.812 1.066 -4.877 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.649 0.109 -4.618 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.672 0.475 -3.993 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.710 -1.113 -5.074 1.00 0.00 N ATOM 0 H GLN B 49 -9.736 5.045 -5.307 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.611 2.809 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.624 2.869 -4.734 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.252 2.309 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.731 0.662 -4.453 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.976 1.174 -5.949 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -9.529 -1.421 -5.598 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.939 -1.759 -4.906 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.757 3.765 -2.227 1.00 0.00 N ATOM 1822 CA VAL B 50 -11.992 4.514 -0.951 1.00 0.00 C ATOM 1823 C VAL B 50 -12.015 3.518 0.204 1.00 0.00 C ATOM 1824 O VAL B 50 -12.763 2.565 0.193 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.340 5.258 -1.016 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.340 6.409 0.000 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.568 5.799 -2.437 1.00 0.00 C ATOM 0 H VAL B 50 -12.307 2.913 -2.334 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.195 5.243 -0.802 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.149 4.569 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.294 6.935 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.195 6.009 1.003 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.532 7.102 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.522 6.324 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.764 6.487 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.580 4.970 -3.144 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.208 3.736 1.201 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.177 2.799 2.355 1.00 0.00 C ATOM 1839 C CYS B 51 -12.443 2.981 3.192 1.00 0.00 C ATOM 1840 O CYS B 51 -13.021 4.048 3.236 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.948 3.102 3.213 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.447 2.782 2.253 1.00 0.00 S ATOM 0 H CYS B 51 -10.566 4.526 1.267 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.128 1.772 1.994 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.968 4.141 3.541 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.957 2.484 4.111 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.885 1.939 3.848 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.125 2.042 4.676 1.00 0.00 C ATOM 1849 C ALA B 52 -13.986 1.170 5.927 1.00 0.00 C ATOM 1850 O ALA B 52 -13.518 0.048 5.867 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.321 1.552 3.855 1.00 0.00 C ATOM 0 H ALA B 52 -12.441 1.021 3.846 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.276 3.080 4.972 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.228 1.625 4.455 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.426 2.168 2.962 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.161 0.514 3.563 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.393 1.679 7.059 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.292 0.887 8.320 1.00 0.00 C ATOM 1859 C ASP B 53 -15.298 -0.290 8.272 1.00 0.00 C ATOM 1860 O ASP B 53 -16.486 -0.043 8.192 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.652 1.789 9.507 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.955 3.140 9.357 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -14.093 3.740 8.305 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.299 3.554 10.298 1.00 0.00 O ATOM 0 H ASP B 53 -14.792 2.612 7.165 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.277 0.504 8.429 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.732 1.929 9.555 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.350 1.315 10.441 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.840 -1.536 8.328 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.776 -2.679 8.293 1.00 0.00 C ATOM 1871 C PRO B 54 -16.706 -2.635 9.515 1.00 0.00 C ATOM 1872 O PRO B 54 -17.638 -3.407 9.628 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.878 -3.937 8.329 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.401 -3.460 8.438 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.408 -1.914 8.421 1.00 0.00 C ATOM 0 HA PRO B 54 -16.414 -2.667 7.410 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -15.139 -4.569 9.177 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -15.021 -4.535 7.429 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.945 -3.831 9.356 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.810 -3.850 7.609 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.951 -1.508 9.323 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.842 -1.526 7.574 1.00 0.00 H new ATOM 1883 N SER B 55 -16.447 -1.748 10.431 1.00 0.00 N ATOM 1884 CA SER B 55 -17.300 -1.663 11.652 1.00 0.00 C ATOM 1885 C SER B 55 -18.623 -0.969 11.320 1.00 0.00 C ATOM 1886 O SER B 55 -19.592 -1.090 12.042 1.00 0.00 O ATOM 1887 CB SER B 55 -16.565 -0.866 12.729 1.00 0.00 C ATOM 1888 OG SER B 55 -17.424 -0.685 13.847 1.00 0.00 O ATOM 0 H SER B 55 -15.681 -1.076 10.390 1.00 0.00 H new ATOM 0 HA SER B 55 -17.506 -2.670 12.015 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.660 -1.392 13.033 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.255 0.101 12.334 1.00 0.00 H new ATOM 0 HG SER B 55 -16.955 -0.175 14.541 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.679 -0.245 10.234 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.950 0.445 9.870 1.00 0.00 C ATOM 1896 C GLU B 56 -20.885 -0.554 9.180 1.00 0.00 C ATOM 1897 O GLU B 56 -20.573 -1.114 8.146 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.648 1.616 8.931 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.151 2.816 9.742 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.326 3.453 10.487 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -21.276 3.844 9.829 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.255 3.538 11.702 1.00 0.00 O ATOM 0 H GLU B 56 -17.904 -0.102 9.586 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.432 0.829 10.769 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.895 1.323 8.200 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.545 1.888 8.374 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.387 2.497 10.451 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.687 3.548 9.081 1.00 0.00 H new ATOM 1909 N SER B 57 -22.022 -0.787 9.766 1.00 0.00 N ATOM 1910 CA SER B 57 -22.999 -1.756 9.195 1.00 0.00 C ATOM 1911 C SER B 57 -23.254 -1.489 7.708 1.00 0.00 C ATOM 1912 O SER B 57 -23.393 -2.411 6.928 1.00 0.00 O ATOM 1913 CB SER B 57 -24.320 -1.645 9.957 1.00 0.00 C ATOM 1914 OG SER B 57 -25.045 -0.522 9.478 1.00 0.00 O ATOM 0 H SER B 57 -22.323 -0.340 10.632 1.00 0.00 H new ATOM 0 HA SER B 57 -22.581 -2.758 9.294 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.907 -2.554 9.825 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.129 -1.541 11.025 1.00 0.00 H new ATOM 0 HG SER B 57 -25.893 -0.449 9.963 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.344 -0.252 7.302 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.621 0.015 5.862 1.00 0.00 C ATOM 1922 C TRP B 58 -22.500 -0.565 5.005 1.00 0.00 C ATOM 1923 O TRP B 58 -22.716 -0.979 3.885 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.798 1.521 5.612 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.485 2.241 5.579 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.017 3.033 6.572 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.488 2.288 4.515 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.799 3.564 6.187 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.424 3.132 4.934 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.399 1.686 3.237 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.310 3.371 4.117 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.279 1.925 2.411 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.236 2.766 2.853 1.00 0.00 C ATOM 0 H TRP B 58 -23.240 0.573 7.893 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.555 -0.473 5.582 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.319 1.673 4.667 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.426 1.947 6.394 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.514 3.220 7.512 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.245 4.199 6.762 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.193 1.040 2.892 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.514 4.016 4.458 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.221 1.462 1.437 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.380 2.944 2.218 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.311 -0.631 5.525 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.200 -1.211 4.729 1.00 0.00 C ATOM 1946 C VAL B 59 -20.479 -2.694 4.518 1.00 0.00 C ATOM 1947 O VAL B 59 -20.371 -3.208 3.424 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.887 -1.028 5.486 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.740 -1.673 4.703 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.627 0.468 5.648 1.00 0.00 C ATOM 0 H VAL B 59 -21.061 -0.311 6.461 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.123 -0.711 3.764 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.951 -1.504 6.464 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.806 -1.539 5.249 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.938 -2.738 4.579 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.658 -1.202 3.723 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.692 0.618 6.187 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.558 0.934 4.665 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.445 0.921 6.207 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.858 -3.381 5.555 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.165 -4.831 5.405 1.00 0.00 C ATOM 1962 C GLN B 60 -22.387 -4.996 4.496 1.00 0.00 C ATOM 1963 O GLN B 60 -22.476 -5.923 3.716 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.459 -5.439 6.778 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.832 -6.914 6.615 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.890 -7.581 7.990 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.869 -7.842 8.595 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -23.050 -7.871 8.513 1.00 0.00 N ATOM 0 H GLN B 60 -20.969 -3.006 6.497 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.310 -5.342 4.963 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.586 -5.343 7.424 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.274 -4.898 7.260 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.796 -7.003 6.115 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -21.099 -7.418 5.985 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -23.907 -7.652 8.006 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -23.099 -8.317 9.429 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.334 -4.102 4.601 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.559 -4.200 3.753 1.00 0.00 C ATOM 1979 C GLU B 61 -24.199 -4.006 2.277 1.00 0.00 C ATOM 1980 O GLU B 61 -24.592 -4.779 1.427 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.557 -3.119 4.177 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.898 -3.361 3.482 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.878 -2.248 3.861 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.033 -2.002 5.046 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.456 -1.662 2.961 1.00 0.00 O ATOM 0 H GLU B 61 -23.312 -3.306 5.239 1.00 0.00 H new ATOM 0 HA GLU B 61 -25.003 -5.187 3.884 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.688 -3.135 5.259 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.173 -2.133 3.917 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.760 -3.386 2.401 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.301 -4.330 3.774 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.461 -2.977 1.967 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.083 -2.729 0.545 1.00 0.00 C ATOM 1994 C TYR B 62 -22.254 -3.905 0.019 1.00 0.00 C ATOM 1995 O TYR B 62 -22.351 -4.273 -1.134 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.264 -1.430 0.444 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.183 -0.221 0.406 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.177 -0.041 1.392 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.039 0.735 -0.623 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.020 1.086 1.347 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -23.884 1.860 -0.665 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.874 2.035 0.319 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.701 3.139 0.277 1.00 0.00 O ATOM 0 H TYR B 62 -23.102 -2.296 2.636 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.988 -2.630 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.588 -1.353 1.295 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.646 -1.452 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.291 -0.769 2.182 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.279 0.603 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.780 1.222 2.103 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.772 2.590 -1.453 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.466 3.694 -0.495 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.450 -4.503 0.850 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.635 -5.654 0.386 1.00 0.00 C ATOM 2015 C VAL B 63 -21.584 -6.787 0.023 1.00 0.00 C ATOM 2016 O VAL B 63 -21.404 -7.479 -0.958 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.694 -6.099 1.508 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -19.042 -7.437 1.144 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.604 -5.041 1.706 1.00 0.00 C ATOM 0 H VAL B 63 -21.323 -4.244 1.828 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.036 -5.375 -0.481 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.265 -6.217 2.429 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.374 -7.747 1.948 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.815 -8.192 1.004 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.472 -7.325 0.221 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.932 -5.356 2.505 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.039 -4.924 0.782 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.064 -4.090 1.973 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.600 -6.973 0.813 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.573 -8.053 0.529 1.00 0.00 C ATOM 2031 C TYR B 64 -24.263 -7.768 -0.803 1.00 0.00 C ATOM 2032 O TYR B 64 -24.458 -8.645 -1.619 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.618 -8.097 1.649 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.335 -9.429 1.629 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.679 -10.586 2.091 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.656 -9.512 1.147 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.346 -11.827 2.073 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.322 -10.753 1.129 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.666 -11.911 1.592 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.319 -13.126 1.574 1.00 0.00 O ATOM 0 H TYR B 64 -22.797 -6.420 1.647 1.00 0.00 H new ATOM 0 HA TYR B 64 -23.058 -9.012 0.475 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -24.136 -7.948 2.615 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.335 -7.286 1.522 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.666 -10.522 2.459 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.158 -8.624 0.791 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.844 -12.715 2.429 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.335 -10.817 0.760 1.00 0.00 H new ATOM 0 HH TYR B 64 -28.222 -13.007 1.213 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.635 -6.542 -1.019 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.320 -6.174 -2.289 1.00 0.00 C ATOM 2052 C ASP B 65 -24.395 -6.461 -3.475 1.00 0.00 C ATOM 2053 O ASP B 65 -24.833 -6.855 -4.538 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.668 -4.683 -2.255 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.916 -4.462 -1.396 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -27.873 -5.195 -1.578 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.891 -3.562 -0.572 1.00 0.00 O ATOM 0 H ASP B 65 -24.494 -5.771 -0.366 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.232 -6.761 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.831 -4.114 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -25.842 -4.318 -3.267 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.120 -6.267 -3.298 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.160 -6.524 -4.407 1.00 0.00 C ATOM 2064 C LEU B 66 -22.026 -8.034 -4.629 1.00 0.00 C ATOM 2065 O LEU B 66 -21.783 -8.490 -5.729 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.799 -5.924 -4.027 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.788 -4.405 -4.309 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.712 -3.728 -3.457 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.468 -4.142 -5.790 1.00 0.00 C ATOM 0 H LEU B 66 -22.698 -5.940 -2.429 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.518 -6.065 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.595 -6.107 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.007 -6.412 -4.595 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.771 -4.003 -4.066 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.708 -2.657 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -19.924 -3.897 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.736 -4.147 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.463 -3.068 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.489 -4.556 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.225 -4.615 -6.415 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.193 -8.810 -3.598 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.084 -10.289 -3.752 1.00 0.00 C ATOM 2083 C GLU B 67 -23.319 -10.806 -4.487 1.00 0.00 C ATOM 2084 O GLU B 67 -23.280 -11.815 -5.163 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.011 -10.943 -2.373 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.653 -10.642 -1.745 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.505 -11.426 -0.440 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -20.797 -12.611 -0.448 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -20.104 -10.829 0.544 1.00 0.00 O ATOM 0 H GLU B 67 -22.401 -8.486 -2.653 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.185 -10.532 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.811 -10.566 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.154 -12.020 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.854 -10.912 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.560 -9.573 -1.551 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.415 -10.116 -4.362 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.660 -10.557 -5.054 1.00 0.00 C ATOM 2098 C LEU B 68 -25.576 -10.193 -6.536 1.00 0.00 C ATOM 2099 O LEU B 68 -25.099 -10.960 -7.348 1.00 0.00 O ATOM 2100 CB LEU B 68 -26.869 -9.863 -4.433 1.00 0.00 C ATOM 2101 CG LEU B 68 -27.029 -10.300 -2.972 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -28.177 -9.509 -2.354 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -27.336 -11.810 -2.888 1.00 0.00 C ATOM 0 H LEU B 68 -24.505 -9.263 -3.810 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.767 -11.636 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.745 -8.781 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.769 -10.109 -4.996 1.00 0.00 H new ATOM 0 HG LEU B 68 -26.102 -10.109 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.306 -9.807 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -27.952 -8.444 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -29.096 -9.710 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.446 -12.101 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -28.261 -12.024 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.518 -12.373 -3.337 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.034 -9.024 -6.897 1.00 0.00 N ATOM 2116 CA ASN B 69 -25.984 -8.604 -8.329 1.00 0.00 C ATOM 2117 C ASN B 69 -24.652 -7.904 -8.608 1.00 0.00 C ATOM 2118 O ASN B 69 -23.916 -8.388 -9.450 1.00 0.00 O ATOM 2119 CB ASN B 69 -27.136 -7.639 -8.617 1.00 0.00 C ATOM 2120 CG ASN B 69 -28.467 -8.324 -8.300 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -28.519 -9.523 -8.120 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -29.553 -7.605 -8.222 1.00 0.00 N ATOM 2123 OXT ASN B 69 -24.394 -6.893 -7.975 1.00 0.00 O ATOM 0 H ASN B 69 -26.442 -8.339 -6.260 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.075 -9.482 -8.969 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -27.027 -6.736 -8.016 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -27.113 -7.331 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -30.446 -8.051 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -29.509 -6.597 -8.373 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.407 1.507 6.065 1.00 0.00 O HETATM 2134 O HOH A 202 4.402 5.626 6.849 1.00 0.00 O HETATM 2137 O HOH B 301 -6.529 -1.366 6.068 1.00 0.00 O HETATM 2140 O HOH B 302 -4.527 -5.472 6.916 1.00 0.00 O