USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 18:sc= 0.208 USER MOD Single : A 7 THR OG1 : rot -110:sc= -1.19 USER MOD Single : A 8 THR OG1 : rot 153:sc= 0.109 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-4.2!) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.0717 (180deg=-0.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -160:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00819 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.17) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00642 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -6.1! C(o=-6.1!,f=-16!) USER MOD Single : A 48 GLN : amide:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 52 ASN : amide:sc= -4.67! C(o=-4.7!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 19:sc= 0.132 USER MOD Single : B 7 THR OG1 : rot -110:sc= -1.41 USER MOD Single : B 8 THR OG1 : rot 154:sc= 0.164 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-4.2!) USER MOD Single : B 25 LYS NZ :NH3+ -153:sc= -0.0776 (180deg=-0.562) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -150:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0.0187 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.19) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -6.1! C(o=-6.1!,f=-16!) USER MOD Single : B 48 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : B 52 ASN : amide:sc= -5.12! C(o=-5.1!,f=-12!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.7!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N SER A 5 12.974 -6.778 -3.755 1.00 0.00 N ATOM 59 CA SER A 5 13.163 -5.330 -3.460 1.00 0.00 C ATOM 60 C SER A 5 12.407 -4.497 -4.494 1.00 0.00 C ATOM 61 O SER A 5 12.996 -3.792 -5.285 1.00 0.00 O ATOM 62 CB SER A 5 14.653 -4.985 -3.519 1.00 0.00 C ATOM 63 OG SER A 5 15.409 -6.053 -2.967 1.00 0.00 O ATOM 0 HA SER A 5 12.779 -5.110 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.955 -4.807 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.846 -4.065 -2.967 1.00 0.00 H new ATOM 0 HG SER A 5 14.858 -6.863 -2.937 1.00 0.00 H new ATOM 69 N ASP A 6 11.105 -4.574 -4.497 1.00 0.00 N ATOM 70 CA ASP A 6 10.310 -3.789 -5.482 1.00 0.00 C ATOM 71 C ASP A 6 8.957 -3.445 -4.872 1.00 0.00 C ATOM 72 O ASP A 6 8.782 -3.484 -3.669 1.00 0.00 O ATOM 73 CB ASP A 6 10.116 -4.618 -6.755 1.00 0.00 C ATOM 74 CG ASP A 6 9.321 -5.884 -6.425 1.00 0.00 C ATOM 75 OD1 ASP A 6 9.673 -6.547 -5.463 1.00 0.00 O ATOM 76 OD2 ASP A 6 8.374 -6.168 -7.139 1.00 0.00 O ATOM 0 H ASP A 6 10.556 -5.149 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 6 10.836 -2.868 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.589 -4.031 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.084 -4.884 -7.179 1.00 0.00 H new ATOM 81 N THR A 7 8.000 -3.093 -5.681 1.00 0.00 N ATOM 82 CA THR A 7 6.673 -2.730 -5.129 1.00 0.00 C ATOM 83 C THR A 7 5.789 -3.974 -4.999 1.00 0.00 C ATOM 84 O THR A 7 6.135 -5.048 -5.446 1.00 0.00 O ATOM 85 CB THR A 7 5.996 -1.716 -6.054 1.00 0.00 C ATOM 86 OG1 THR A 7 4.766 -1.303 -5.481 1.00 0.00 O ATOM 87 CG2 THR A 7 5.728 -2.360 -7.418 1.00 0.00 C ATOM 0 H THR A 7 8.081 -3.042 -6.697 1.00 0.00 H new ATOM 0 HA THR A 7 6.811 -2.293 -4.140 1.00 0.00 H new ATOM 0 HB THR A 7 6.650 -0.853 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.022 -1.664 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.246 -1.635 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.671 -2.680 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.076 -3.224 -7.291 1.00 0.00 H new ATOM 95 N THR A 8 4.640 -3.827 -4.392 1.00 0.00 N ATOM 96 CA THR A 8 3.718 -4.986 -4.233 1.00 0.00 C ATOM 97 C THR A 8 2.267 -4.494 -4.382 1.00 0.00 C ATOM 98 O THR A 8 1.798 -3.725 -3.566 1.00 0.00 O ATOM 99 CB THR A 8 3.906 -5.606 -2.846 1.00 0.00 C ATOM 100 OG1 THR A 8 5.294 -5.704 -2.555 1.00 0.00 O ATOM 101 CG2 THR A 8 3.281 -7.002 -2.823 1.00 0.00 C ATOM 0 H THR A 8 4.301 -2.949 -3.999 1.00 0.00 H new ATOM 0 HA THR A 8 3.935 -5.736 -4.994 1.00 0.00 H new ATOM 0 HB THR A 8 3.421 -4.978 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.427 -5.682 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.414 -7.444 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.217 -6.928 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.766 -7.630 -3.570 1.00 0.00 H new ATOM 109 N PRO A 9 1.594 -4.942 -5.424 1.00 0.00 N ATOM 110 CA PRO A 9 0.200 -4.539 -5.684 1.00 0.00 C ATOM 111 C PRO A 9 -0.696 -4.863 -4.486 1.00 0.00 C ATOM 112 O PRO A 9 -1.130 -5.983 -4.305 1.00 0.00 O ATOM 113 CB PRO A 9 -0.220 -5.362 -6.911 1.00 0.00 C ATOM 114 CG PRO A 9 1.018 -6.165 -7.386 1.00 0.00 C ATOM 115 CD PRO A 9 2.158 -5.877 -6.417 1.00 0.00 C ATOM 0 HA PRO A 9 0.109 -3.466 -5.852 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.039 -6.036 -6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.580 -4.708 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.796 -7.232 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.296 -5.876 -8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.511 -6.792 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.011 -5.437 -6.933 1.00 0.00 H new ATOM 123 N CYS A 10 -0.978 -3.884 -3.667 1.00 0.00 N ATOM 124 CA CYS A 10 -1.849 -4.119 -2.480 1.00 0.00 C ATOM 125 C CYS A 10 -2.648 -2.859 -2.188 1.00 0.00 C ATOM 126 O CYS A 10 -2.171 -1.758 -2.382 1.00 0.00 O ATOM 127 CB CYS A 10 -0.978 -4.455 -1.268 1.00 0.00 C ATOM 128 SG CYS A 10 0.177 -3.091 -0.965 1.00 0.00 S ATOM 0 H CYS A 10 -0.640 -2.927 -3.771 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.528 -4.947 -2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.603 -4.619 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.429 -5.380 -1.445 1.00 0.00 H new ATOM 133 N CYS A 11 -3.858 -2.999 -1.717 1.00 0.00 N ATOM 134 CA CYS A 11 -4.649 -1.782 -1.419 1.00 0.00 C ATOM 135 C CYS A 11 -4.692 -1.546 0.095 1.00 0.00 C ATOM 136 O CYS A 11 -4.920 -2.451 0.872 1.00 0.00 O ATOM 137 CB CYS A 11 -6.059 -1.869 -2.009 1.00 0.00 C ATOM 138 SG CYS A 11 -6.895 -3.426 -1.648 1.00 0.00 S ATOM 0 H CYS A 11 -4.322 -3.888 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.160 -0.930 -1.891 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.658 -1.045 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.001 -1.739 -3.090 1.00 0.00 H new ATOM 143 N PHE A 12 -4.447 -0.329 0.513 1.00 0.00 N ATOM 144 CA PHE A 12 -4.440 -0.017 1.971 1.00 0.00 C ATOM 145 C PHE A 12 -5.845 0.376 2.437 1.00 0.00 C ATOM 146 O PHE A 12 -6.314 -0.074 3.463 1.00 0.00 O ATOM 147 CB PHE A 12 -3.465 1.140 2.238 1.00 0.00 C ATOM 148 CG PHE A 12 -3.964 2.407 1.579 1.00 0.00 C ATOM 149 CD1 PHE A 12 -3.618 2.696 0.239 1.00 0.00 C ATOM 150 CD2 PHE A 12 -4.797 3.294 2.299 1.00 0.00 C ATOM 151 CE1 PHE A 12 -4.108 3.866 -0.382 1.00 0.00 C ATOM 152 CE2 PHE A 12 -5.282 4.468 1.679 1.00 0.00 C ATOM 153 CZ PHE A 12 -4.940 4.752 0.339 1.00 0.00 C ATOM 0 H PHE A 12 -4.251 0.464 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.122 -0.901 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.361 1.297 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.476 0.888 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.978 2.021 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.063 3.075 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.847 4.083 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.914 5.148 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.315 5.647 -0.135 1.00 0.00 H new ATOM 163 N ALA A 13 -6.517 1.214 1.699 1.00 0.00 N ATOM 164 CA ALA A 13 -7.881 1.633 2.116 1.00 0.00 C ATOM 165 C ALA A 13 -8.914 0.845 1.330 1.00 0.00 C ATOM 166 O ALA A 13 -8.819 0.703 0.127 1.00 0.00 O ATOM 167 CB ALA A 13 -8.065 3.129 1.857 1.00 0.00 C ATOM 0 H ALA A 13 -6.181 1.625 0.828 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.010 1.438 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.066 3.431 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.325 3.691 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.935 3.333 0.794 1.00 0.00 H new ATOM 173 N TYR A 14 -9.898 0.323 2.002 1.00 0.00 N ATOM 174 CA TYR A 14 -10.927 -0.463 1.281 1.00 0.00 C ATOM 175 C TYR A 14 -12.290 0.221 1.396 1.00 0.00 C ATOM 176 O TYR A 14 -12.694 0.655 2.457 1.00 0.00 O ATOM 177 CB TYR A 14 -11.009 -1.897 1.827 1.00 0.00 C ATOM 178 CG TYR A 14 -10.639 -1.931 3.289 1.00 0.00 C ATOM 179 CD1 TYR A 14 -9.286 -1.799 3.678 1.00 0.00 C ATOM 180 CD2 TYR A 14 -11.645 -2.070 4.269 1.00 0.00 C ATOM 181 CE1 TYR A 14 -8.942 -1.805 5.044 1.00 0.00 C ATOM 182 CE2 TYR A 14 -11.300 -2.075 5.638 1.00 0.00 C ATOM 183 CZ TYR A 14 -9.947 -1.941 6.026 1.00 0.00 C ATOM 184 OH TYR A 14 -9.609 -1.947 7.364 1.00 0.00 O ATOM 0 H TYR A 14 -10.032 0.406 3.010 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.640 -0.514 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.018 -2.286 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.340 -2.546 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.516 -1.694 2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.678 -2.172 3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.908 -1.705 5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.069 -2.181 6.389 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.419 -2.048 7.906 1.00 0.00 H new ATOM 194 N ILE A 15 -13.001 0.321 0.304 1.00 0.00 N ATOM 195 CA ILE A 15 -14.337 0.976 0.337 1.00 0.00 C ATOM 196 C ILE A 15 -15.299 0.137 1.180 1.00 0.00 C ATOM 197 O ILE A 15 -15.074 -1.032 1.418 1.00 0.00 O ATOM 198 CB ILE A 15 -14.879 1.091 -1.091 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.269 1.731 -1.064 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.973 -0.304 -1.715 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.693 2.093 -2.490 1.00 0.00 C ATOM 0 H ILE A 15 -12.711 -0.024 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.244 1.970 0.776 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.206 1.711 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.990 1.042 -0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.258 2.624 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.359 -0.223 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.983 -0.760 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.644 -0.924 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.683 2.549 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -15.978 2.797 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.721 1.191 -3.101 1.00 0.00 H new ATOM 213 N ALA A 16 -16.370 0.727 1.632 1.00 0.00 N ATOM 214 CA ALA A 16 -17.348 -0.034 2.458 1.00 0.00 C ATOM 215 C ALA A 16 -18.599 -0.321 1.624 1.00 0.00 C ATOM 216 O ALA A 16 -19.620 0.320 1.775 1.00 0.00 O ATOM 217 CB ALA A 16 -17.725 0.794 3.687 1.00 0.00 C ATOM 0 H ALA A 16 -16.610 1.704 1.465 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.905 -0.976 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.441 0.239 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.831 0.998 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.172 1.736 3.368 1.00 0.00 H new ATOM 223 N ARG A 17 -18.525 -1.279 0.741 1.00 0.00 N ATOM 224 CA ARG A 17 -19.706 -1.607 -0.106 1.00 0.00 C ATOM 225 C ARG A 17 -19.415 -2.892 -0.907 1.00 0.00 C ATOM 226 O ARG A 17 -18.500 -2.907 -1.706 1.00 0.00 O ATOM 227 CB ARG A 17 -19.969 -0.453 -1.075 1.00 0.00 C ATOM 228 CG ARG A 17 -21.230 -0.744 -1.890 1.00 0.00 C ATOM 229 CD ARG A 17 -20.857 -0.918 -3.364 1.00 0.00 C ATOM 230 NE ARG A 17 -21.890 -0.269 -4.218 1.00 0.00 N ATOM 231 CZ ARG A 17 -21.538 0.618 -5.108 1.00 0.00 C ATOM 232 NH1 ARG A 17 -21.414 1.871 -4.768 1.00 0.00 N ATOM 233 NH2 ARG A 17 -21.309 0.250 -6.339 1.00 0.00 N ATOM 0 H ARG A 17 -17.697 -1.849 0.570 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.581 -1.760 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -20.088 0.479 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.116 -0.322 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.716 -1.646 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.944 0.072 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -19.880 -0.476 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -20.781 -1.978 -3.608 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.873 -0.518 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -21.592 2.158 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.139 2.564 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.405 -0.730 -6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.034 0.942 -7.036 1.00 0.00 H new ATOM 247 N PRO A 18 -20.187 -3.940 -0.679 1.00 0.00 N ATOM 248 CA PRO A 18 -19.985 -5.214 -1.391 1.00 0.00 C ATOM 249 C PRO A 18 -20.085 -5.013 -2.905 1.00 0.00 C ATOM 250 O PRO A 18 -21.159 -4.914 -3.464 1.00 0.00 O ATOM 251 CB PRO A 18 -21.100 -6.137 -0.879 1.00 0.00 C ATOM 252 CG PRO A 18 -21.952 -5.332 0.133 1.00 0.00 C ATOM 253 CD PRO A 18 -21.306 -3.948 0.288 1.00 0.00 C ATOM 0 HA PRO A 18 -18.996 -5.634 -1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -21.718 -6.486 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.676 -7.021 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -22.979 -5.238 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -21.992 -5.846 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -22.020 -3.153 0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.950 -3.790 1.306 1.00 0.00 H new ATOM 261 N LEU A 19 -18.960 -4.961 -3.569 1.00 0.00 N ATOM 262 CA LEU A 19 -18.964 -4.775 -5.048 1.00 0.00 C ATOM 263 C LEU A 19 -19.787 -5.903 -5.694 1.00 0.00 C ATOM 264 O LEU A 19 -19.462 -7.059 -5.513 1.00 0.00 O ATOM 265 CB LEU A 19 -17.529 -4.863 -5.578 1.00 0.00 C ATOM 266 CG LEU A 19 -16.625 -3.869 -4.852 1.00 0.00 C ATOM 267 CD1 LEU A 19 -15.218 -3.932 -5.451 1.00 0.00 C ATOM 268 CD2 LEU A 19 -17.180 -2.453 -5.013 1.00 0.00 C ATOM 0 H LEU A 19 -18.035 -5.040 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.393 -3.802 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.147 -5.875 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -17.518 -4.658 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.586 -4.124 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.571 -3.223 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.818 -4.939 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.262 -3.678 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.532 -1.747 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.221 -2.197 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.183 -2.405 -4.589 1.00 0.00 H new ATOM 280 N PRO A 20 -20.819 -5.560 -6.438 1.00 0.00 N ATOM 281 CA PRO A 20 -21.649 -6.579 -7.097 1.00 0.00 C ATOM 282 C PRO A 20 -20.768 -7.480 -7.964 1.00 0.00 C ATOM 283 O PRO A 20 -20.114 -7.027 -8.883 1.00 0.00 O ATOM 284 CB PRO A 20 -22.640 -5.785 -7.961 1.00 0.00 C ATOM 285 CG PRO A 20 -22.412 -4.278 -7.672 1.00 0.00 C ATOM 286 CD PRO A 20 -21.236 -4.164 -6.689 1.00 0.00 C ATOM 0 HA PRO A 20 -22.165 -7.226 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.484 -6.000 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.666 -6.069 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -22.193 -3.740 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -23.310 -3.830 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -20.421 -3.578 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.538 -3.669 -5.766 1.00 0.00 H new ATOM 294 N ARG A 21 -20.735 -8.754 -7.671 1.00 0.00 N ATOM 295 CA ARG A 21 -19.884 -9.689 -8.467 1.00 0.00 C ATOM 296 C ARG A 21 -20.122 -9.474 -9.966 1.00 0.00 C ATOM 297 O ARG A 21 -19.270 -9.755 -10.784 1.00 0.00 O ATOM 298 CB ARG A 21 -20.220 -11.136 -8.085 1.00 0.00 C ATOM 299 CG ARG A 21 -21.643 -11.481 -8.529 1.00 0.00 C ATOM 300 CD ARG A 21 -21.606 -12.027 -9.956 1.00 0.00 C ATOM 301 NE ARG A 21 -22.756 -12.949 -10.169 1.00 0.00 N ATOM 302 CZ ARG A 21 -23.028 -13.386 -11.369 1.00 0.00 C ATOM 303 NH1 ARG A 21 -22.117 -14.021 -12.054 1.00 0.00 N ATOM 304 NH2 ARG A 21 -24.210 -13.185 -11.885 1.00 0.00 N ATOM 0 H ARG A 21 -21.262 -9.188 -6.913 1.00 0.00 H new ATOM 0 HA ARG A 21 -18.834 -9.492 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -19.510 -11.818 -8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -20.125 -11.267 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -22.078 -12.220 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -22.276 -10.595 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -21.648 -11.206 -10.671 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.668 -12.554 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 21 -23.331 -13.239 -9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.192 -14.176 -11.652 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.329 -14.362 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -24.922 -12.686 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -24.422 -13.527 -12.822 1.00 0.00 H new ATOM 318 N ALA A 22 -21.272 -8.977 -10.331 1.00 0.00 N ATOM 319 CA ALA A 22 -21.554 -8.747 -11.775 1.00 0.00 C ATOM 320 C ALA A 22 -20.629 -7.653 -12.306 1.00 0.00 C ATOM 321 O ALA A 22 -19.981 -7.814 -13.322 1.00 0.00 O ATOM 322 CB ALA A 22 -23.012 -8.316 -11.949 1.00 0.00 C ATOM 0 H ALA A 22 -22.026 -8.721 -9.694 1.00 0.00 H new ATOM 0 HA ALA A 22 -21.381 -9.669 -12.331 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -23.218 -8.148 -13.006 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -23.670 -9.098 -11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -23.188 -7.395 -11.394 1.00 0.00 H new ATOM 328 N HIS A 23 -20.559 -6.540 -11.630 1.00 0.00 N ATOM 329 CA HIS A 23 -19.671 -5.440 -12.101 1.00 0.00 C ATOM 330 C HIS A 23 -18.212 -5.874 -11.966 1.00 0.00 C ATOM 331 O HIS A 23 -17.344 -5.381 -12.658 1.00 0.00 O ATOM 332 CB HIS A 23 -19.907 -4.188 -11.254 1.00 0.00 C ATOM 333 CG HIS A 23 -21.376 -3.864 -11.222 1.00 0.00 C ATOM 334 ND1 HIS A 23 -21.866 -2.721 -10.603 1.00 0.00 N ATOM 335 CD2 HIS A 23 -22.474 -4.516 -11.730 1.00 0.00 C ATOM 336 CE1 HIS A 23 -23.197 -2.716 -10.749 1.00 0.00 C ATOM 337 NE2 HIS A 23 -23.621 -3.792 -11.431 1.00 0.00 N ATOM 0 H HIS A 23 -21.077 -6.345 -10.773 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.894 -5.218 -13.145 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -19.538 -4.348 -10.241 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -19.349 -3.348 -11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -22.449 -5.447 -12.277 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -23.848 -1.944 -10.366 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -24.582 -4.028 -11.677 1.00 0.00 H new ATOM 345 N ILE A 24 -17.931 -6.794 -11.082 1.00 0.00 N ATOM 346 CA ILE A 24 -16.520 -7.250 -10.916 1.00 0.00 C ATOM 347 C ILE A 24 -16.193 -8.293 -11.965 1.00 0.00 C ATOM 348 O ILE A 24 -17.059 -8.844 -12.614 1.00 0.00 O ATOM 349 CB ILE A 24 -16.311 -7.854 -9.528 1.00 0.00 C ATOM 350 CG1 ILE A 24 -16.895 -6.924 -8.461 1.00 0.00 C ATOM 351 CG2 ILE A 24 -14.812 -8.053 -9.280 1.00 0.00 C ATOM 352 CD1 ILE A 24 -16.654 -7.521 -7.071 1.00 0.00 C ATOM 0 H ILE A 24 -18.612 -7.247 -10.472 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.863 -6.388 -11.032 1.00 0.00 H new ATOM 0 HB ILE A 24 -16.819 -8.817 -9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.433 -5.939 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -17.963 -6.787 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.661 -8.484 -8.290 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.405 -8.726 -10.035 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.303 -7.091 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.070 -6.858 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.137 -8.496 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.583 -7.635 -6.905 1.00 0.00 H new ATOM 364 N LYS A 25 -14.935 -8.547 -12.151 1.00 0.00 N ATOM 365 CA LYS A 25 -14.520 -9.529 -13.173 1.00 0.00 C ATOM 366 C LYS A 25 -13.592 -10.582 -12.548 1.00 0.00 C ATOM 367 O LYS A 25 -13.514 -11.704 -13.009 1.00 0.00 O ATOM 368 CB LYS A 25 -13.781 -8.764 -14.264 1.00 0.00 C ATOM 369 CG LYS A 25 -14.733 -8.468 -15.425 1.00 0.00 C ATOM 370 CD LYS A 25 -14.943 -9.735 -16.257 1.00 0.00 C ATOM 371 CE LYS A 25 -16.201 -9.576 -17.116 1.00 0.00 C ATOM 372 NZ LYS A 25 -17.407 -9.607 -16.241 1.00 0.00 N ATOM 0 H LYS A 25 -14.172 -8.112 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.387 -10.046 -13.584 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.383 -7.833 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.931 -9.347 -14.618 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.689 -8.111 -15.042 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.323 -7.675 -16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.076 -9.914 -16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.043 -10.601 -15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.162 -8.636 -17.667 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.254 -10.376 -17.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -18.222 -9.954 -16.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.235 -10.241 -15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.607 -8.648 -15.891 1.00 0.00 H new ATOM 386 N GLU A 26 -12.882 -10.227 -11.510 1.00 0.00 N ATOM 387 CA GLU A 26 -11.950 -11.190 -10.861 1.00 0.00 C ATOM 388 C GLU A 26 -11.577 -10.628 -9.483 1.00 0.00 C ATOM 389 O GLU A 26 -12.272 -9.785 -8.950 1.00 0.00 O ATOM 390 CB GLU A 26 -10.685 -11.367 -11.734 1.00 0.00 C ATOM 391 CG GLU A 26 -10.419 -10.124 -12.599 1.00 0.00 C ATOM 392 CD GLU A 26 -10.821 -10.403 -14.050 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.478 -11.403 -14.285 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.459 -9.610 -14.905 1.00 0.00 O ATOM 0 H GLU A 26 -12.910 -9.302 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.422 -12.166 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.824 -11.557 -11.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.804 -12.240 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.983 -9.274 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.364 -9.855 -12.550 1.00 0.00 H new ATOM 401 N TYR A 27 -10.484 -11.053 -8.905 1.00 0.00 N ATOM 402 CA TYR A 27 -10.089 -10.504 -7.588 1.00 0.00 C ATOM 403 C TYR A 27 -8.590 -10.711 -7.420 1.00 0.00 C ATOM 404 O TYR A 27 -7.934 -11.219 -8.309 1.00 0.00 O ATOM 405 CB TYR A 27 -10.847 -11.227 -6.474 1.00 0.00 C ATOM 406 CG TYR A 27 -10.768 -12.718 -6.704 1.00 0.00 C ATOM 407 CD1 TYR A 27 -9.607 -13.429 -6.328 1.00 0.00 C ATOM 408 CD2 TYR A 27 -11.851 -13.398 -7.304 1.00 0.00 C ATOM 409 CE1 TYR A 27 -9.528 -14.821 -6.553 1.00 0.00 C ATOM 410 CE2 TYR A 27 -11.773 -14.791 -7.527 1.00 0.00 C ATOM 411 CZ TYR A 27 -10.611 -15.502 -7.153 1.00 0.00 C ATOM 412 OH TYR A 27 -10.533 -16.863 -7.373 1.00 0.00 O ATOM 0 H TYR A 27 -9.853 -11.755 -9.292 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.330 -9.442 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.420 -10.974 -5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.888 -10.904 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.780 -12.908 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.738 -12.853 -7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.640 -15.365 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.602 -15.312 -7.983 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.362 -17.175 -7.792 1.00 0.00 H new ATOM 422 N PHE A 28 -8.028 -10.325 -6.307 1.00 0.00 N ATOM 423 CA PHE A 28 -6.568 -10.520 -6.152 1.00 0.00 C ATOM 424 C PHE A 28 -6.171 -10.425 -4.674 1.00 0.00 C ATOM 425 O PHE A 28 -5.784 -9.379 -4.193 1.00 0.00 O ATOM 426 CB PHE A 28 -5.830 -9.449 -6.972 1.00 0.00 C ATOM 427 CG PHE A 28 -4.345 -9.491 -6.677 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.517 -10.434 -7.325 1.00 0.00 C ATOM 429 CD2 PHE A 28 -3.793 -8.595 -5.736 1.00 0.00 C ATOM 430 CE1 PHE A 28 -2.136 -10.483 -7.027 1.00 0.00 C ATOM 431 CE2 PHE A 28 -2.416 -8.644 -5.435 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.585 -9.589 -6.079 1.00 0.00 C ATOM 0 H PHE A 28 -8.508 -9.893 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.293 -11.511 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.001 -9.614 -8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.227 -8.462 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.939 -11.117 -8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.426 -7.871 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.502 -11.203 -7.523 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.996 -7.960 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.531 -9.628 -5.848 1.00 0.00 H new ATOM 442 N TYR A 29 -6.239 -11.507 -3.951 1.00 0.00 N ATOM 443 CA TYR A 29 -5.842 -11.457 -2.518 1.00 0.00 C ATOM 444 C TYR A 29 -4.386 -11.010 -2.426 1.00 0.00 C ATOM 445 O TYR A 29 -3.525 -11.496 -3.133 1.00 0.00 O ATOM 446 CB TYR A 29 -5.996 -12.842 -1.892 1.00 0.00 C ATOM 447 CG TYR A 29 -5.488 -12.826 -0.469 1.00 0.00 C ATOM 448 CD1 TYR A 29 -6.352 -12.459 0.586 1.00 0.00 C ATOM 449 CD2 TYR A 29 -4.150 -13.184 -0.195 1.00 0.00 C ATOM 450 CE1 TYR A 29 -5.877 -12.448 1.916 1.00 0.00 C ATOM 451 CE2 TYR A 29 -3.675 -13.175 1.135 1.00 0.00 C ATOM 452 CZ TYR A 29 -4.538 -12.807 2.191 1.00 0.00 C ATOM 453 OH TYR A 29 -4.075 -12.801 3.491 1.00 0.00 O ATOM 0 H TYR A 29 -6.550 -12.418 -4.288 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.479 -10.754 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.043 -13.143 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.443 -13.578 -2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.376 -12.187 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.490 -13.465 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.537 -12.165 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.652 -13.450 1.345 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.134 -13.074 3.504 1.00 0.00 H new ATOM 463 N THR A 30 -4.109 -10.088 -1.557 1.00 0.00 N ATOM 464 CA THR A 30 -2.710 -9.598 -1.405 1.00 0.00 C ATOM 465 C THR A 30 -2.018 -10.371 -0.281 1.00 0.00 C ATOM 466 O THR A 30 -2.619 -10.697 0.724 1.00 0.00 O ATOM 467 CB THR A 30 -2.725 -8.106 -1.066 1.00 0.00 C ATOM 468 OG1 THR A 30 -1.421 -7.695 -0.681 1.00 0.00 O ATOM 469 CG2 THR A 30 -3.698 -7.855 0.086 1.00 0.00 C ATOM 0 H THR A 30 -4.791 -9.647 -0.940 1.00 0.00 H new ATOM 0 HA THR A 30 -2.168 -9.752 -2.338 1.00 0.00 H new ATOM 0 HB THR A 30 -3.042 -7.538 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.478 -6.859 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.709 -6.792 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.699 -8.171 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.381 -8.423 0.961 1.00 0.00 H new ATOM 477 N SER A 31 -0.758 -10.670 -0.443 1.00 0.00 N ATOM 478 CA SER A 31 -0.027 -11.424 0.616 1.00 0.00 C ATOM 479 C SER A 31 0.148 -10.534 1.847 1.00 0.00 C ATOM 480 O SER A 31 -0.593 -9.594 2.056 1.00 0.00 O ATOM 481 CB SER A 31 1.347 -11.840 0.087 1.00 0.00 C ATOM 482 OG SER A 31 1.248 -12.154 -1.294 1.00 0.00 O ATOM 0 H SER A 31 -0.203 -10.425 -1.263 1.00 0.00 H new ATOM 0 HA SER A 31 -0.596 -12.313 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.065 -11.034 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.716 -12.703 0.641 1.00 0.00 H new ATOM 0 HG SER A 31 2.128 -12.419 -1.633 1.00 0.00 H new ATOM 488 N GLY A 32 1.125 -10.821 2.666 1.00 0.00 N ATOM 489 CA GLY A 32 1.348 -9.990 3.881 1.00 0.00 C ATOM 490 C GLY A 32 2.498 -9.015 3.628 1.00 0.00 C ATOM 491 O GLY A 32 3.143 -8.545 4.545 1.00 0.00 O ATOM 0 H GLY A 32 1.777 -11.596 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.440 -9.441 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.579 -10.628 4.734 1.00 0.00 H new ATOM 495 N LYS A 33 2.762 -8.707 2.387 1.00 0.00 N ATOM 496 CA LYS A 33 3.871 -7.763 2.071 1.00 0.00 C ATOM 497 C LYS A 33 3.571 -6.397 2.688 1.00 0.00 C ATOM 498 O LYS A 33 4.243 -5.953 3.598 1.00 0.00 O ATOM 499 CB LYS A 33 3.988 -7.612 0.553 1.00 0.00 C ATOM 500 CG LYS A 33 4.126 -8.992 -0.089 1.00 0.00 C ATOM 501 CD LYS A 33 5.144 -8.925 -1.229 1.00 0.00 C ATOM 502 CE LYS A 33 6.478 -9.504 -0.754 1.00 0.00 C ATOM 503 NZ LYS A 33 6.433 -10.991 -0.840 1.00 0.00 N ATOM 0 H LYS A 33 2.257 -9.069 1.578 1.00 0.00 H new ATOM 0 HA LYS A 33 4.805 -8.151 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.109 -7.103 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.852 -6.996 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.446 -9.721 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.161 -9.326 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.779 -9.484 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.277 -7.892 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.293 -9.118 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.676 -9.194 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.340 -11.385 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.665 -11.350 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.263 -11.277 -1.825 1.00 0.00 H new ATOM 517 N CYS A 34 2.569 -5.727 2.193 1.00 0.00 N ATOM 518 CA CYS A 34 2.220 -4.385 2.737 1.00 0.00 C ATOM 519 C CYS A 34 1.618 -4.540 4.135 1.00 0.00 C ATOM 520 O CYS A 34 1.296 -5.629 4.565 1.00 0.00 O ATOM 521 CB CYS A 34 1.195 -3.709 1.818 1.00 0.00 C ATOM 522 SG CYS A 34 1.695 -3.904 0.087 1.00 0.00 S ATOM 0 H CYS A 34 1.974 -6.052 1.431 1.00 0.00 H new ATOM 0 HA CYS A 34 3.121 -3.774 2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.210 -4.148 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.114 -2.650 2.065 1.00 0.00 H new ATOM 527 N SER A 35 1.457 -3.457 4.845 1.00 0.00 N ATOM 528 CA SER A 35 0.867 -3.543 6.211 1.00 0.00 C ATOM 529 C SER A 35 -0.641 -3.298 6.121 1.00 0.00 C ATOM 530 O SER A 35 -1.226 -2.635 6.953 1.00 0.00 O ATOM 531 CB SER A 35 1.505 -2.484 7.114 1.00 0.00 C ATOM 532 OG SER A 35 1.594 -2.985 8.439 1.00 0.00 O ATOM 0 H SER A 35 1.708 -2.517 4.539 1.00 0.00 H new ATOM 0 HA SER A 35 1.055 -4.532 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.497 -2.225 6.744 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.910 -1.571 7.098 1.00 0.00 H new ATOM 0 HG SER A 35 2.004 -2.308 9.018 1.00 0.00 H new ATOM 538 N ASN A 36 -1.270 -3.831 5.110 1.00 0.00 N ATOM 539 CA ASN A 36 -2.737 -3.637 4.948 1.00 0.00 C ATOM 540 C ASN A 36 -3.323 -4.839 4.196 1.00 0.00 C ATOM 541 O ASN A 36 -3.579 -4.750 3.012 1.00 0.00 O ATOM 542 CB ASN A 36 -2.998 -2.363 4.144 1.00 0.00 C ATOM 543 CG ASN A 36 -3.290 -1.203 5.098 1.00 0.00 C ATOM 544 OD1 ASN A 36 -2.496 -0.293 5.226 1.00 0.00 O ATOM 545 ND2 ASN A 36 -4.404 -1.199 5.777 1.00 0.00 N ATOM 0 H ASN A 36 -0.827 -4.396 4.385 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.205 -3.550 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.132 -2.128 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.841 -2.513 3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.609 -0.431 6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.070 -1.964 5.669 1.00 0.00 H new ATOM 552 N PRO A 37 -3.522 -5.934 4.898 1.00 0.00 N ATOM 553 CA PRO A 37 -4.080 -7.147 4.285 1.00 0.00 C ATOM 554 C PRO A 37 -5.427 -6.824 3.642 1.00 0.00 C ATOM 555 O PRO A 37 -6.205 -6.054 4.170 1.00 0.00 O ATOM 556 CB PRO A 37 -4.254 -8.136 5.448 1.00 0.00 C ATOM 557 CG PRO A 37 -3.689 -7.463 6.725 1.00 0.00 C ATOM 558 CD PRO A 37 -3.220 -6.051 6.342 1.00 0.00 C ATOM 0 HA PRO A 37 -3.441 -7.556 3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.306 -8.388 5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.727 -9.067 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.453 -7.415 7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.860 -8.045 7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.744 -5.289 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.155 -5.921 6.536 1.00 0.00 H new ATOM 566 N ALA A 38 -5.711 -7.394 2.505 1.00 0.00 N ATOM 567 CA ALA A 38 -7.007 -7.098 1.840 1.00 0.00 C ATOM 568 C ALA A 38 -7.229 -8.055 0.683 1.00 0.00 C ATOM 569 O ALA A 38 -6.581 -9.075 0.555 1.00 0.00 O ATOM 570 CB ALA A 38 -6.994 -5.653 1.307 1.00 0.00 C ATOM 0 H ALA A 38 -5.105 -8.048 2.010 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.812 -7.217 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.945 -5.436 0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.845 -4.961 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.183 -5.538 0.588 1.00 0.00 H new ATOM 576 N VAL A 39 -8.138 -7.709 -0.164 1.00 0.00 N ATOM 577 CA VAL A 39 -8.443 -8.538 -1.341 1.00 0.00 C ATOM 578 C VAL A 39 -8.764 -7.528 -2.420 1.00 0.00 C ATOM 579 O VAL A 39 -9.437 -6.546 -2.167 1.00 0.00 O ATOM 580 CB VAL A 39 -9.604 -9.493 -0.995 1.00 0.00 C ATOM 581 CG1 VAL A 39 -10.933 -9.065 -1.627 1.00 0.00 C ATOM 582 CG2 VAL A 39 -9.254 -10.911 -1.442 1.00 0.00 C ATOM 0 H VAL A 39 -8.699 -6.860 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.635 -9.191 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.737 -9.458 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.713 -9.774 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.202 -8.071 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.830 -9.045 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.076 -11.583 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.086 -10.922 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.350 -11.241 -0.930 1.00 0.00 H new ATOM 592 N VAL A 40 -8.231 -7.698 -3.581 1.00 0.00 N ATOM 593 CA VAL A 40 -8.453 -6.658 -4.610 1.00 0.00 C ATOM 594 C VAL A 40 -9.345 -7.137 -5.734 1.00 0.00 C ATOM 595 O VAL A 40 -9.039 -8.057 -6.456 1.00 0.00 O ATOM 596 CB VAL A 40 -7.096 -6.194 -5.135 1.00 0.00 C ATOM 597 CG1 VAL A 40 -7.255 -5.286 -6.354 1.00 0.00 C ATOM 598 CG2 VAL A 40 -6.425 -5.398 -4.028 1.00 0.00 C ATOM 0 H VAL A 40 -7.661 -8.495 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.979 -5.820 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.508 -7.063 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.272 -4.972 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.767 -5.829 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.840 -4.408 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.450 -5.050 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.046 -4.541 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.297 -6.032 -3.150 1.00 0.00 H new ATOM 608 N PHE A 41 -10.442 -6.470 -5.907 1.00 0.00 N ATOM 609 CA PHE A 41 -11.349 -6.847 -6.993 1.00 0.00 C ATOM 610 C PHE A 41 -10.919 -6.176 -8.273 1.00 0.00 C ATOM 611 O PHE A 41 -10.663 -4.997 -8.327 1.00 0.00 O ATOM 612 CB PHE A 41 -12.781 -6.436 -6.647 1.00 0.00 C ATOM 613 CG PHE A 41 -13.386 -7.446 -5.703 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.426 -8.814 -6.055 1.00 0.00 C ATOM 615 CD2 PHE A 41 -13.919 -7.018 -4.467 1.00 0.00 C ATOM 616 CE1 PHE A 41 -14.004 -9.754 -5.170 1.00 0.00 C ATOM 617 CE2 PHE A 41 -14.494 -7.956 -3.584 1.00 0.00 C ATOM 618 CZ PHE A 41 -14.539 -9.324 -3.934 1.00 0.00 C ATOM 0 H PHE A 41 -10.744 -5.679 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.314 -7.928 -7.125 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -12.785 -5.447 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -13.380 -6.369 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.016 -9.142 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.886 -5.973 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.037 -10.800 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -14.901 -7.628 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 41 -14.982 -10.041 -3.258 1.00 0.00 H new ATOM 628 N VAL A 42 -10.853 -6.937 -9.308 1.00 0.00 N ATOM 629 CA VAL A 42 -10.463 -6.386 -10.623 1.00 0.00 C ATOM 630 C VAL A 42 -11.755 -6.354 -11.456 1.00 0.00 C ATOM 631 O VAL A 42 -12.081 -7.292 -12.157 1.00 0.00 O ATOM 632 CB VAL A 42 -9.401 -7.276 -11.290 1.00 0.00 C ATOM 633 CG1 VAL A 42 -8.090 -6.506 -11.337 1.00 0.00 C ATOM 634 CG2 VAL A 42 -9.160 -8.566 -10.502 1.00 0.00 C ATOM 0 H VAL A 42 -11.056 -7.937 -9.304 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.022 -5.393 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.758 -7.539 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.323 -7.122 -11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.226 -5.591 -11.914 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.780 -6.253 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.403 -9.165 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.816 -8.320 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.089 -9.133 -10.439 1.00 0.00 H new ATOM 644 N THR A 43 -12.529 -5.311 -11.313 1.00 0.00 N ATOM 645 CA THR A 43 -13.851 -5.227 -12.017 1.00 0.00 C ATOM 646 C THR A 43 -13.712 -4.843 -13.485 1.00 0.00 C ATOM 647 O THR A 43 -12.658 -4.954 -14.081 1.00 0.00 O ATOM 648 CB THR A 43 -14.731 -4.187 -11.314 1.00 0.00 C ATOM 649 OG1 THR A 43 -14.291 -2.883 -11.661 1.00 0.00 O ATOM 650 CG2 THR A 43 -14.644 -4.367 -9.795 1.00 0.00 C ATOM 0 H THR A 43 -12.303 -4.503 -10.733 1.00 0.00 H new ATOM 0 HA THR A 43 -14.303 -6.218 -11.977 1.00 0.00 H new ATOM 0 HB THR A 43 -15.765 -4.322 -11.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.854 -2.218 -11.213 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.272 -3.624 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.987 -5.366 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.611 -4.239 -9.472 1.00 0.00 H new ATOM 658 N ARG A 44 -14.802 -4.412 -14.076 1.00 0.00 N ATOM 659 CA ARG A 44 -14.788 -4.034 -15.516 1.00 0.00 C ATOM 660 C ARG A 44 -13.603 -3.108 -15.792 1.00 0.00 C ATOM 661 O ARG A 44 -12.699 -3.457 -16.525 1.00 0.00 O ATOM 662 CB ARG A 44 -16.108 -3.347 -15.902 1.00 0.00 C ATOM 663 CG ARG A 44 -16.551 -2.368 -14.807 1.00 0.00 C ATOM 664 CD ARG A 44 -17.999 -2.667 -14.413 1.00 0.00 C ATOM 665 NE ARG A 44 -18.619 -1.437 -13.843 1.00 0.00 N ATOM 666 CZ ARG A 44 -19.915 -1.362 -13.712 1.00 0.00 C ATOM 667 NH1 ARG A 44 -20.693 -1.735 -14.691 1.00 0.00 N ATOM 668 NH2 ARG A 44 -20.434 -0.912 -12.602 1.00 0.00 N ATOM 0 H ARG A 44 -15.705 -4.307 -13.614 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.683 -4.935 -16.120 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.984 -2.814 -16.845 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.882 -4.098 -16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.900 -2.459 -13.938 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.464 -1.342 -15.164 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.563 -3.002 -15.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.030 -3.475 -13.683 1.00 0.00 H new ATOM 0 HE ARG A 44 -18.031 -0.655 -13.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.288 -2.085 -15.559 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.706 -1.676 -14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.826 -0.619 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.447 -0.853 -12.500 1.00 0.00 H new ATOM 682 N LYS A 45 -13.556 -1.952 -15.171 1.00 0.00 N ATOM 683 CA LYS A 45 -12.371 -1.063 -15.376 1.00 0.00 C ATOM 684 C LYS A 45 -11.147 -1.894 -14.991 1.00 0.00 C ATOM 685 O LYS A 45 -10.074 -1.771 -15.549 1.00 0.00 O ATOM 686 CB LYS A 45 -12.475 0.171 -14.479 1.00 0.00 C ATOM 687 CG LYS A 45 -13.432 1.183 -15.113 1.00 0.00 C ATOM 688 CD LYS A 45 -13.137 2.581 -14.565 1.00 0.00 C ATOM 689 CE LYS A 45 -12.159 3.299 -15.497 1.00 0.00 C ATOM 690 NZ LYS A 45 -12.449 4.762 -15.489 1.00 0.00 N ATOM 0 H LYS A 45 -14.274 -1.592 -14.542 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.308 -0.713 -16.406 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.833 -0.114 -13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.491 0.620 -14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.320 1.175 -16.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.464 0.907 -14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.061 3.152 -14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.714 2.509 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.134 3.119 -15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.249 2.905 -16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.785 5.251 -16.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.423 4.925 -15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.342 5.132 -14.523 1.00 0.00 H new ATOM 704 N ASN A 46 -11.351 -2.783 -14.057 1.00 0.00 N ATOM 705 CA ASN A 46 -10.288 -3.706 -13.614 1.00 0.00 C ATOM 706 C ASN A 46 -9.204 -2.989 -12.856 1.00 0.00 C ATOM 707 O ASN A 46 -8.193 -3.585 -12.534 1.00 0.00 O ATOM 708 CB ASN A 46 -9.683 -4.415 -14.829 1.00 0.00 C ATOM 709 CG ASN A 46 -10.078 -5.894 -14.830 1.00 0.00 C ATOM 710 OD1 ASN A 46 -10.693 -6.373 -13.901 1.00 0.00 O ATOM 711 ND2 ASN A 46 -9.744 -6.642 -15.845 1.00 0.00 N ATOM 0 H ASN A 46 -12.241 -2.904 -13.573 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.739 -4.435 -12.941 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.028 -3.938 -15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.597 -4.321 -14.810 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.000 -7.629 -15.857 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.227 -6.240 -16.627 1.00 0.00 H new ATOM 718 N ARG A 47 -9.408 -1.753 -12.477 1.00 0.00 N ATOM 719 CA ARG A 47 -8.372 -1.102 -11.630 1.00 0.00 C ATOM 720 C ARG A 47 -8.281 -2.025 -10.429 1.00 0.00 C ATOM 721 O ARG A 47 -9.255 -2.679 -10.119 1.00 0.00 O ATOM 722 CB ARG A 47 -8.815 0.301 -11.208 1.00 0.00 C ATOM 723 CG ARG A 47 -9.134 1.132 -12.453 1.00 0.00 C ATOM 724 CD ARG A 47 -7.862 1.830 -12.941 1.00 0.00 C ATOM 725 NE ARG A 47 -8.121 3.288 -13.093 1.00 0.00 N ATOM 726 CZ ARG A 47 -7.298 4.029 -13.782 1.00 0.00 C ATOM 727 NH1 ARG A 47 -6.996 3.703 -15.008 1.00 0.00 N ATOM 728 NH2 ARG A 47 -6.775 5.097 -13.244 1.00 0.00 N ATOM 0 H ARG A 47 -10.222 -1.183 -12.710 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.419 -0.969 -12.143 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.693 0.239 -10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.028 0.783 -10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.534 0.491 -13.239 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.902 1.871 -12.223 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.050 1.666 -12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.544 1.405 -13.893 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.943 3.708 -12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.404 2.868 -15.429 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.352 4.283 -15.546 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.010 5.352 -12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.131 5.676 -13.783 1.00 0.00 H new ATOM 742 N GLN A 48 -7.165 -2.165 -9.796 1.00 0.00 N ATOM 743 CA GLN A 48 -7.134 -3.130 -8.685 1.00 0.00 C ATOM 744 C GLN A 48 -7.795 -2.481 -7.494 1.00 0.00 C ATOM 745 O GLN A 48 -7.186 -1.808 -6.690 1.00 0.00 O ATOM 746 CB GLN A 48 -5.712 -3.594 -8.425 1.00 0.00 C ATOM 747 CG GLN A 48 -5.482 -4.832 -9.298 1.00 0.00 C ATOM 748 CD GLN A 48 -4.014 -5.257 -9.227 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.268 -5.071 -10.167 1.00 0.00 O ATOM 750 NE2 GLN A 48 -3.565 -5.832 -8.143 1.00 0.00 N ATOM 0 H GLN A 48 -6.296 -1.669 -9.991 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.689 -4.037 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.998 -2.809 -8.673 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.570 -3.833 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.122 -5.648 -8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.757 -4.615 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.190 -5.989 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.589 -6.124 -8.087 1.00 0.00 H new ATOM 759 N VAL A 49 -9.076 -2.669 -7.431 1.00 0.00 N ATOM 760 CA VAL A 49 -9.899 -2.067 -6.363 1.00 0.00 C ATOM 761 C VAL A 49 -9.708 -2.861 -5.070 1.00 0.00 C ATOM 762 O VAL A 49 -9.090 -3.900 -5.058 1.00 0.00 O ATOM 763 CB VAL A 49 -11.387 -2.083 -6.768 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.040 -0.793 -6.283 1.00 0.00 C ATOM 765 CG2 VAL A 49 -11.572 -2.178 -8.307 1.00 0.00 C ATOM 0 H VAL A 49 -9.601 -3.234 -8.099 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.588 -1.034 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.848 -2.961 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.093 -0.791 -6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.953 -0.726 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.541 0.062 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.635 -2.186 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.100 -1.319 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.111 -3.095 -8.673 1.00 0.00 H new ATOM 775 N CYS A 50 -10.229 -2.374 -3.985 1.00 0.00 N ATOM 776 CA CYS A 50 -10.078 -3.086 -2.689 1.00 0.00 C ATOM 777 C CYS A 50 -11.435 -3.632 -2.258 1.00 0.00 C ATOM 778 O CYS A 50 -12.357 -3.713 -3.043 1.00 0.00 O ATOM 779 CB CYS A 50 -9.629 -2.068 -1.638 1.00 0.00 C ATOM 780 SG CYS A 50 -8.377 -2.729 -0.501 1.00 0.00 S ATOM 0 H CYS A 50 -10.759 -1.504 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.357 -3.898 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.227 -1.188 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.496 -1.740 -1.064 1.00 0.00 H new ATOM 785 N ALA A 51 -11.560 -3.965 -0.998 1.00 0.00 N ATOM 786 CA ALA A 51 -12.864 -4.479 -0.458 1.00 0.00 C ATOM 787 C ALA A 51 -12.665 -5.211 0.870 1.00 0.00 C ATOM 788 O ALA A 51 -13.520 -5.955 1.290 1.00 0.00 O ATOM 789 CB ALA A 51 -13.512 -5.445 -1.456 1.00 0.00 C ATOM 0 H ALA A 51 -10.809 -3.903 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.511 -3.617 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.456 -5.809 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.697 -4.926 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.844 -6.288 -1.632 1.00 0.00 H new ATOM 795 N ASN A 52 -11.570 -4.998 1.553 1.00 0.00 N ATOM 796 CA ASN A 52 -11.365 -5.685 2.853 1.00 0.00 C ATOM 797 C ASN A 52 -11.248 -7.193 2.611 1.00 0.00 C ATOM 798 O ASN A 52 -11.961 -7.730 1.789 1.00 0.00 O ATOM 799 CB ASN A 52 -12.559 -5.410 3.754 1.00 0.00 C ATOM 800 CG ASN A 52 -12.228 -5.844 5.183 1.00 0.00 C ATOM 801 OD1 ASN A 52 -12.699 -6.863 5.646 1.00 0.00 O ATOM 802 ND2 ASN A 52 -11.403 -5.124 5.895 1.00 0.00 N ATOM 0 H ASN A 52 -10.813 -4.379 1.264 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.455 -5.318 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.808 -4.349 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.434 -5.950 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.155 -5.418 6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.007 -4.268 5.506 1.00 0.00 H new ATOM 809 N PRO A 53 -10.344 -7.843 3.309 1.00 0.00 N ATOM 810 CA PRO A 53 -10.142 -9.281 3.129 1.00 0.00 C ATOM 811 C PRO A 53 -11.139 -10.094 3.974 1.00 0.00 C ATOM 812 O PRO A 53 -11.434 -11.232 3.667 1.00 0.00 O ATOM 813 CB PRO A 53 -8.731 -9.514 3.658 1.00 0.00 C ATOM 814 CG PRO A 53 -8.412 -8.332 4.612 1.00 0.00 C ATOM 815 CD PRO A 53 -9.441 -7.227 4.308 1.00 0.00 C ATOM 0 HA PRO A 53 -10.284 -9.588 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.668 -10.465 4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.013 -9.555 2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.478 -8.647 5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.396 -7.969 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.983 -6.929 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.960 -6.332 3.913 1.00 0.00 H new ATOM 823 N GLU A 54 -11.634 -9.538 5.059 1.00 0.00 N ATOM 824 CA GLU A 54 -12.572 -10.317 5.930 1.00 0.00 C ATOM 825 C GLU A 54 -13.940 -9.632 6.056 1.00 0.00 C ATOM 826 O GLU A 54 -14.558 -9.662 7.103 1.00 0.00 O ATOM 827 CB GLU A 54 -11.958 -10.455 7.326 1.00 0.00 C ATOM 828 CG GLU A 54 -10.909 -11.569 7.317 1.00 0.00 C ATOM 829 CD GLU A 54 -9.681 -11.117 8.111 1.00 0.00 C ATOM 830 OE1 GLU A 54 -9.172 -10.048 7.820 1.00 0.00 O ATOM 831 OE2 GLU A 54 -9.273 -11.848 8.999 1.00 0.00 O ATOM 0 H GLU A 54 -11.431 -8.590 5.375 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.723 -11.294 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.500 -9.513 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.736 -10.680 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.324 -12.478 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.625 -11.808 6.292 1.00 0.00 H new ATOM 838 N LYS A 55 -14.433 -9.034 5.009 1.00 0.00 N ATOM 839 CA LYS A 55 -15.776 -8.375 5.086 1.00 0.00 C ATOM 840 C LYS A 55 -16.881 -9.379 4.725 1.00 0.00 C ATOM 841 O LYS A 55 -17.948 -8.996 4.294 1.00 0.00 O ATOM 842 CB LYS A 55 -15.838 -7.202 4.106 1.00 0.00 C ATOM 843 CG LYS A 55 -16.271 -5.934 4.846 1.00 0.00 C ATOM 844 CD LYS A 55 -15.217 -5.565 5.891 1.00 0.00 C ATOM 845 CE LYS A 55 -15.885 -4.823 7.049 1.00 0.00 C ATOM 846 NZ LYS A 55 -15.670 -5.580 8.315 1.00 0.00 N ATOM 0 H LYS A 55 -13.969 -8.970 4.103 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.926 -8.016 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.863 -7.050 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.540 -7.424 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.400 -5.114 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.236 -6.093 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.723 -6.465 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.446 -4.939 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.471 -3.819 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.952 -4.712 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.124 -5.075 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.085 -6.529 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.650 -5.664 8.500 1.00 0.00 H new ATOM 860 N LYS A 56 -16.636 -10.652 4.900 1.00 0.00 N ATOM 861 CA LYS A 56 -17.674 -11.680 4.575 1.00 0.00 C ATOM 862 C LYS A 56 -18.017 -11.646 3.078 1.00 0.00 C ATOM 863 O LYS A 56 -17.445 -12.372 2.292 1.00 0.00 O ATOM 864 CB LYS A 56 -18.938 -11.422 5.402 1.00 0.00 C ATOM 865 CG LYS A 56 -18.634 -11.649 6.884 1.00 0.00 C ATOM 866 CD LYS A 56 -19.788 -11.100 7.727 1.00 0.00 C ATOM 867 CE LYS A 56 -20.094 -12.073 8.867 1.00 0.00 C ATOM 868 NZ LYS A 56 -19.433 -11.598 10.115 1.00 0.00 N ATOM 0 H LYS A 56 -15.757 -11.027 5.256 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.276 -12.665 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.287 -10.402 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.739 -12.087 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.499 -12.713 7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.702 -11.154 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.525 -10.122 8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.673 -10.961 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -21.171 -12.146 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.739 -13.072 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.640 -12.259 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.405 -11.550 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.792 -10.653 10.360 1.00 0.00 H new ATOM 882 N TRP A 57 -18.960 -10.823 2.684 1.00 0.00 N ATOM 883 CA TRP A 57 -19.365 -10.746 1.244 1.00 0.00 C ATOM 884 C TRP A 57 -18.139 -10.746 0.320 1.00 0.00 C ATOM 885 O TRP A 57 -18.213 -11.176 -0.813 1.00 0.00 O ATOM 886 CB TRP A 57 -20.204 -9.481 1.030 1.00 0.00 C ATOM 887 CG TRP A 57 -19.364 -8.280 1.218 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.404 -7.424 2.260 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.462 -7.722 0.258 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.522 -6.384 2.012 1.00 0.00 N ATOM 891 CE2 TRP A 57 -17.912 -6.525 0.784 1.00 0.00 C ATOM 892 CE3 TRP A 57 -18.060 -8.156 -1.018 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -16.983 -5.771 0.049 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.155 -7.406 -1.768 1.00 0.00 C ATOM 895 CH2 TRP A 57 -16.613 -6.211 -1.242 1.00 0.00 C ATOM 0 H TRP A 57 -19.471 -10.195 3.305 1.00 0.00 H new ATOM 0 HA TRP A 57 -19.958 -11.626 0.994 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.631 -9.483 0.027 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -21.038 -9.465 1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -20.020 -7.531 3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.347 -5.613 2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.455 -9.077 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.558 -4.869 0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.867 -7.739 -2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.914 -5.633 -1.828 1.00 0.00 H new ATOM 906 N VAL A 58 -17.014 -10.278 0.784 1.00 0.00 N ATOM 907 CA VAL A 58 -15.802 -10.274 -0.098 1.00 0.00 C ATOM 908 C VAL A 58 -15.399 -11.706 -0.439 1.00 0.00 C ATOM 909 O VAL A 58 -15.225 -12.040 -1.586 1.00 0.00 O ATOM 910 CB VAL A 58 -14.605 -9.591 0.569 1.00 0.00 C ATOM 911 CG1 VAL A 58 -14.593 -8.118 0.205 1.00 0.00 C ATOM 912 CG2 VAL A 58 -14.655 -9.745 2.079 1.00 0.00 C ATOM 0 H VAL A 58 -16.876 -9.902 1.722 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.068 -9.718 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.694 -10.069 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.741 -7.633 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -14.515 -8.011 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.515 -7.650 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.792 -9.250 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.570 -9.292 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.639 -10.804 2.337 1.00 0.00 H new ATOM 922 N ARG A 59 -15.233 -12.549 0.546 1.00 0.00 N ATOM 923 CA ARG A 59 -14.829 -13.954 0.262 1.00 0.00 C ATOM 924 C ARG A 59 -15.957 -14.650 -0.497 1.00 0.00 C ATOM 925 O ARG A 59 -15.727 -15.421 -1.408 1.00 0.00 O ATOM 926 CB ARG A 59 -14.569 -14.691 1.578 1.00 0.00 C ATOM 927 CG ARG A 59 -13.323 -14.113 2.251 1.00 0.00 C ATOM 928 CD ARG A 59 -12.590 -15.222 3.008 1.00 0.00 C ATOM 929 NE ARG A 59 -11.150 -14.862 3.146 1.00 0.00 N ATOM 930 CZ ARG A 59 -10.565 -14.948 4.309 1.00 0.00 C ATOM 931 NH1 ARG A 59 -10.905 -15.892 5.143 1.00 0.00 N ATOM 932 NH2 ARG A 59 -9.638 -14.090 4.637 1.00 0.00 N ATOM 0 H ARG A 59 -15.360 -12.324 1.533 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.919 -13.961 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.431 -14.592 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.432 -15.756 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.664 -13.672 1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.605 -13.315 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.037 -15.362 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.690 -16.168 2.475 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.622 -14.549 2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.629 -16.563 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.447 -15.959 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.371 -13.353 3.984 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.180 -14.156 5.546 1.00 0.00 H new ATOM 946 N GLU A 60 -17.176 -14.366 -0.137 1.00 0.00 N ATOM 947 CA GLU A 60 -18.326 -14.993 -0.848 1.00 0.00 C ATOM 948 C GLU A 60 -18.384 -14.442 -2.276 1.00 0.00 C ATOM 949 O GLU A 60 -19.050 -14.984 -3.137 1.00 0.00 O ATOM 950 CB GLU A 60 -19.626 -14.658 -0.116 1.00 0.00 C ATOM 951 CG GLU A 60 -19.816 -15.629 1.052 1.00 0.00 C ATOM 952 CD GLU A 60 -21.310 -15.827 1.317 1.00 0.00 C ATOM 953 OE1 GLU A 60 -22.065 -14.905 1.056 1.00 0.00 O ATOM 954 OE2 GLU A 60 -21.672 -16.897 1.779 1.00 0.00 O ATOM 0 H GLU A 60 -17.427 -13.728 0.618 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.200 -16.075 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.596 -13.632 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.471 -14.727 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.347 -16.586 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.326 -15.240 1.945 1.00 0.00 H new ATOM 961 N TYR A 61 -17.678 -13.373 -2.533 1.00 0.00 N ATOM 962 CA TYR A 61 -17.669 -12.782 -3.895 1.00 0.00 C ATOM 963 C TYR A 61 -16.440 -13.305 -4.640 1.00 0.00 C ATOM 964 O TYR A 61 -16.412 -13.366 -5.854 1.00 0.00 O ATOM 965 CB TYR A 61 -17.594 -11.254 -3.782 1.00 0.00 C ATOM 966 CG TYR A 61 -18.968 -10.668 -3.502 1.00 0.00 C ATOM 967 CD1 TYR A 61 -19.956 -11.424 -2.822 1.00 0.00 C ATOM 968 CD2 TYR A 61 -19.250 -9.338 -3.893 1.00 0.00 C ATOM 969 CE1 TYR A 61 -21.216 -10.854 -2.541 1.00 0.00 C ATOM 970 CE2 TYR A 61 -20.514 -8.770 -3.610 1.00 0.00 C ATOM 971 CZ TYR A 61 -21.495 -9.527 -2.935 1.00 0.00 C ATOM 972 OH TYR A 61 -22.729 -8.973 -2.667 1.00 0.00 O ATOM 0 H TYR A 61 -17.103 -12.882 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.575 -13.056 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.905 -10.977 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -17.196 -10.835 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -19.744 -12.438 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -18.500 -8.756 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -21.967 -11.433 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.729 -7.755 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 61 -22.755 -8.053 -3.004 1.00 0.00 H new ATOM 982 N ILE A 62 -15.424 -13.693 -3.914 1.00 0.00 N ATOM 983 CA ILE A 62 -14.196 -14.225 -4.566 1.00 0.00 C ATOM 984 C ILE A 62 -14.560 -15.496 -5.343 1.00 0.00 C ATOM 985 O ILE A 62 -14.179 -15.669 -6.485 1.00 0.00 O ATOM 986 CB ILE A 62 -13.153 -14.541 -3.482 1.00 0.00 C ATOM 987 CG1 ILE A 62 -12.599 -13.232 -2.902 1.00 0.00 C ATOM 988 CG2 ILE A 62 -12.004 -15.366 -4.069 1.00 0.00 C ATOM 989 CD1 ILE A 62 -11.783 -12.486 -3.962 1.00 0.00 C ATOM 0 H ILE A 62 -15.394 -13.663 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.780 -13.491 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.634 -15.118 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -13.419 -12.604 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.973 -13.446 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.274 -15.581 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.395 -16.302 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.524 -14.803 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.396 -11.560 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.952 -13.111 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -12.420 -12.256 -4.816 1.00 0.00 H new ATOM 1001 N ASN A 63 -15.292 -16.387 -4.731 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.678 -17.644 -5.432 1.00 0.00 C ATOM 1003 C ASN A 63 -16.793 -17.347 -6.438 1.00 0.00 C ATOM 1004 O ASN A 63 -16.825 -17.894 -7.522 1.00 0.00 O ATOM 1005 CB ASN A 63 -16.174 -18.667 -4.409 1.00 0.00 C ATOM 1006 CG ASN A 63 -15.048 -19.650 -4.079 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -13.892 -19.373 -4.329 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -15.340 -20.794 -3.523 1.00 0.00 N ATOM 0 H ASN A 63 -15.639 -16.298 -3.776 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.812 -18.046 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.505 -18.159 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.035 -19.205 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.597 -21.456 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.311 -21.026 -3.313 1.00 0.00 H new ATOM 1015 N SER A 64 -17.707 -16.485 -6.086 1.00 0.00 N ATOM 1016 CA SER A 64 -18.818 -16.153 -7.022 1.00 0.00 C ATOM 1017 C SER A 64 -18.239 -15.685 -8.358 1.00 0.00 C ATOM 1018 O SER A 64 -18.806 -15.920 -9.407 1.00 0.00 O ATOM 1019 CB SER A 64 -19.676 -15.038 -6.419 1.00 0.00 C ATOM 1020 OG SER A 64 -20.831 -14.844 -7.222 1.00 0.00 O ATOM 0 H SER A 64 -17.733 -15.996 -5.191 1.00 0.00 H new ATOM 0 HA SER A 64 -19.433 -17.038 -7.184 1.00 0.00 H new ATOM 0 HB2 SER A 64 -19.967 -15.298 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 -19.101 -14.114 -6.360 1.00 0.00 H new ATOM 0 HG SER A 64 -21.382 -14.131 -6.836 1.00 0.00 H new ATOM 1026 N LEU A 65 -17.115 -15.024 -8.330 1.00 0.00 N ATOM 1027 CA LEU A 65 -16.502 -14.541 -9.600 1.00 0.00 C ATOM 1028 C LEU A 65 -16.056 -15.740 -10.439 1.00 0.00 C ATOM 1029 O LEU A 65 -16.339 -16.876 -10.115 1.00 0.00 O ATOM 1030 CB LEU A 65 -15.292 -13.662 -9.280 1.00 0.00 C ATOM 1031 CG LEU A 65 -15.768 -12.277 -8.836 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -14.569 -11.449 -8.372 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -16.452 -11.574 -10.010 1.00 0.00 C ATOM 0 H LEU A 65 -16.594 -14.797 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 65 -17.235 -13.959 -10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.694 -14.122 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.651 -13.574 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.475 -12.382 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.908 -10.463 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.082 -11.951 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.860 -11.343 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.792 -10.587 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.745 -11.469 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.307 -12.164 -10.339 1.00 0.00 H new ATOM 1147 N SER B 5 -10.131 3.635 -3.689 1.00 0.00 N ATOM 1148 CA SER B 5 -10.291 2.244 -3.183 1.00 0.00 C ATOM 1149 C SER B 5 -9.603 1.272 -4.142 1.00 0.00 C ATOM 1150 O SER B 5 -10.240 0.465 -4.783 1.00 0.00 O ATOM 1151 CB SER B 5 -11.780 1.901 -3.090 1.00 0.00 C ATOM 1152 OG SER B 5 -12.501 3.039 -2.644 1.00 0.00 O ATOM 0 HA SER B 5 -9.838 2.163 -2.195 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.152 1.580 -4.063 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.930 1.069 -2.402 1.00 0.00 H new ATOM 0 HG SER B 5 -11.959 3.844 -2.781 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.305 1.343 -4.242 1.00 0.00 N ATOM 1159 CA ASP B 6 -7.573 0.425 -5.161 1.00 0.00 C ATOM 1160 C ASP B 6 -6.179 0.166 -4.601 1.00 0.00 C ATOM 1161 O ASP B 6 -5.923 0.382 -3.433 1.00 0.00 O ATOM 1162 CB ASP B 6 -7.469 1.069 -6.546 1.00 0.00 C ATOM 1163 CG ASP B 6 -6.661 2.367 -6.450 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -6.952 3.158 -5.568 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -5.765 2.544 -7.259 1.00 0.00 O ATOM 0 H ASP B 6 -7.718 1.998 -3.726 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.109 -0.520 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -6.990 0.381 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -8.465 1.277 -6.937 1.00 0.00 H new ATOM 1170 N THR B 7 -5.279 -0.305 -5.414 1.00 0.00 N ATOM 1171 CA THR B 7 -3.915 -0.591 -4.906 1.00 0.00 C ATOM 1172 C THR B 7 -3.032 0.656 -5.012 1.00 0.00 C ATOM 1173 O THR B 7 -3.414 1.658 -5.582 1.00 0.00 O ATOM 1174 CB THR B 7 -3.296 -1.726 -5.725 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.026 -2.057 -5.185 1.00 0.00 O ATOM 1176 CG2 THR B 7 -3.126 -1.282 -7.180 1.00 0.00 C ATOM 0 H THR B 7 -5.429 -0.503 -6.403 1.00 0.00 H new ATOM 0 HA THR B 7 -3.983 -0.885 -3.858 1.00 0.00 H new ATOM 0 HB THR B 7 -3.951 -2.596 -5.687 1.00 0.00 H new ATOM 0 HG1 THR B 7 -1.323 -1.775 -5.807 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.685 -2.093 -7.759 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.099 -1.025 -7.598 1.00 0.00 H new ATOM 0 HG23 THR B 7 -2.472 -0.411 -7.221 1.00 0.00 H new ATOM 1184 N THR B 8 -1.845 0.591 -4.471 1.00 0.00 N ATOM 1185 CA THR B 8 -0.919 1.758 -4.538 1.00 0.00 C ATOM 1186 C THR B 8 0.521 1.242 -4.716 1.00 0.00 C ATOM 1187 O THR B 8 1.049 0.594 -3.834 1.00 0.00 O ATOM 1188 CB THR B 8 -1.015 2.567 -3.243 1.00 0.00 C ATOM 1189 OG1 THR B 8 -2.380 2.710 -2.875 1.00 0.00 O ATOM 1190 CG2 THR B 8 -0.398 3.950 -3.460 1.00 0.00 C ATOM 0 H THR B 8 -1.475 -0.225 -3.983 1.00 0.00 H new ATOM 0 HA THR B 8 -1.191 2.396 -5.379 1.00 0.00 H new ATOM 0 HB THR B 8 -0.477 2.049 -2.449 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.447 2.828 -1.904 1.00 0.00 H new ATOM 0 HG21 THR B 8 -0.466 4.527 -2.538 1.00 0.00 H new ATOM 0 HG22 THR B 8 0.649 3.841 -3.744 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.937 4.468 -4.253 1.00 0.00 H new ATOM 1198 N PRO B 9 1.118 1.536 -5.854 1.00 0.00 N ATOM 1199 CA PRO B 9 2.493 1.095 -6.148 1.00 0.00 C ATOM 1200 C PRO B 9 3.467 1.582 -5.070 1.00 0.00 C ATOM 1201 O PRO B 9 3.901 2.717 -5.075 1.00 0.00 O ATOM 1202 CB PRO B 9 2.827 1.736 -7.504 1.00 0.00 C ATOM 1203 CG PRO B 9 1.554 2.468 -8.003 1.00 0.00 C ATOM 1204 CD PRO B 9 0.484 2.325 -6.928 1.00 0.00 C ATOM 0 HA PRO B 9 2.577 0.008 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO B 9 3.656 2.436 -7.403 1.00 0.00 H new ATOM 0 HB3 PRO B 9 3.137 0.976 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO B 9 1.768 3.520 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO B 9 1.210 2.038 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO B 9 0.160 3.300 -6.562 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -0.401 1.821 -7.317 1.00 0.00 H new ATOM 1212 N CYS B 10 3.814 0.725 -4.147 1.00 0.00 N ATOM 1213 CA CYS B 10 4.762 1.121 -3.066 1.00 0.00 C ATOM 1214 C CYS B 10 5.585 -0.088 -2.653 1.00 0.00 C ATOM 1215 O CYS B 10 5.101 -1.204 -2.654 1.00 0.00 O ATOM 1216 CB CYS B 10 3.973 1.630 -1.859 1.00 0.00 C ATOM 1217 SG CYS B 10 2.848 0.328 -1.286 1.00 0.00 S ATOM 0 H CYS B 10 3.480 -0.237 -4.096 1.00 0.00 H new ATOM 0 HA CYS B 10 5.422 1.909 -3.430 1.00 0.00 H new ATOM 0 HB2 CYS B 10 4.655 1.915 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.408 2.522 -2.129 1.00 0.00 H new ATOM 1222 N CYS B 11 6.824 0.111 -2.293 1.00 0.00 N ATOM 1223 CA CYS B 11 7.640 -1.055 -1.879 1.00 0.00 C ATOM 1224 C CYS B 11 7.789 -1.075 -0.355 1.00 0.00 C ATOM 1225 O CYS B 11 8.067 -0.069 0.268 1.00 0.00 O ATOM 1226 CB CYS B 11 9.006 -1.059 -2.571 1.00 0.00 C ATOM 1227 SG CYS B 11 9.856 0.530 -2.489 1.00 0.00 S ATOM 0 H CYS B 11 7.296 1.015 -2.269 1.00 0.00 H new ATOM 0 HA CYS B 11 7.123 -1.963 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS B 11 9.635 -1.823 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.875 -1.339 -3.616 1.00 0.00 H new ATOM 1232 N PHE B 12 7.577 -2.217 0.249 1.00 0.00 N ATOM 1233 CA PHE B 12 7.673 -2.317 1.734 1.00 0.00 C ATOM 1234 C PHE B 12 9.107 -2.646 2.153 1.00 0.00 C ATOM 1235 O PHE B 12 9.644 -2.058 3.071 1.00 0.00 O ATOM 1236 CB PHE B 12 6.724 -3.419 2.231 1.00 0.00 C ATOM 1237 CG PHE B 12 7.182 -4.771 1.727 1.00 0.00 C ATOM 1238 CD1 PHE B 12 6.745 -5.245 0.467 1.00 0.00 C ATOM 1239 CD2 PHE B 12 8.068 -5.551 2.505 1.00 0.00 C ATOM 1240 CE1 PHE B 12 7.197 -6.495 -0.013 1.00 0.00 C ATOM 1241 CE2 PHE B 12 8.513 -6.804 2.026 1.00 0.00 C ATOM 1242 CZ PHE B 12 8.080 -7.274 0.767 1.00 0.00 C ATOM 0 H PHE B 12 7.340 -3.088 -0.227 1.00 0.00 H new ATOM 0 HA PHE B 12 7.391 -1.361 2.174 1.00 0.00 H new ATOM 0 HB2 PHE B 12 6.695 -3.420 3.321 1.00 0.00 H new ATOM 0 HB3 PHE B 12 5.710 -3.219 1.885 1.00 0.00 H new ATOM 0 HD1 PHE B 12 6.066 -4.652 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE B 12 8.405 -5.189 3.465 1.00 0.00 H new ATOM 0 HE1 PHE B 12 6.867 -6.855 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE B 12 9.185 -7.402 2.623 1.00 0.00 H new ATOM 0 HZ PHE B 12 8.424 -8.230 0.400 1.00 0.00 H new ATOM 1252 N ALA B 13 9.731 -3.585 1.497 1.00 0.00 N ATOM 1253 CA ALA B 13 11.123 -3.945 1.874 1.00 0.00 C ATOM 1254 C ALA B 13 12.094 -3.282 0.917 1.00 0.00 C ATOM 1255 O ALA B 13 11.919 -3.312 -0.285 1.00 0.00 O ATOM 1256 CB ALA B 13 11.297 -5.465 1.817 1.00 0.00 C ATOM 0 H ALA B 13 9.338 -4.116 0.720 1.00 0.00 H new ATOM 0 HA ALA B 13 11.324 -3.600 2.888 1.00 0.00 H new ATOM 0 HB1 ALA B 13 12.319 -5.725 2.094 1.00 0.00 H new ATOM 0 HB2 ALA B 13 10.602 -5.937 2.511 1.00 0.00 H new ATOM 0 HB3 ALA B 13 11.095 -5.817 0.805 1.00 0.00 H new ATOM 1262 N TYR B 14 13.120 -2.672 1.439 1.00 0.00 N ATOM 1263 CA TYR B 14 14.093 -2.001 0.546 1.00 0.00 C ATOM 1264 C TYR B 14 15.465 -2.669 0.664 1.00 0.00 C ATOM 1265 O TYR B 14 15.941 -2.952 1.746 1.00 0.00 O ATOM 1266 CB TYR B 14 14.207 -0.504 0.878 1.00 0.00 C ATOM 1267 CG TYR B 14 13.935 -0.263 2.343 1.00 0.00 C ATOM 1268 CD1 TYR B 14 12.614 -0.334 2.836 1.00 0.00 C ATOM 1269 CD2 TYR B 14 15.005 0.009 3.221 1.00 0.00 C ATOM 1270 CE1 TYR B 14 12.362 -0.134 4.208 1.00 0.00 C ATOM 1271 CE2 TYR B 14 14.754 0.208 4.597 1.00 0.00 C ATOM 1272 CZ TYR B 14 13.433 0.136 5.091 1.00 0.00 C ATOM 1273 OH TYR B 14 13.186 0.330 6.435 1.00 0.00 O ATOM 0 H TYR B 14 13.323 -2.611 2.437 1.00 0.00 H new ATOM 0 HA TYR B 14 13.734 -2.097 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR B 14 15.204 -0.144 0.624 1.00 0.00 H new ATOM 0 HB3 TYR B 14 13.500 0.063 0.273 1.00 0.00 H new ATOM 0 HD1 TYR B 14 11.796 -0.542 2.162 1.00 0.00 H new ATOM 0 HD2 TYR B 14 16.015 0.065 2.842 1.00 0.00 H new ATOM 0 HE1 TYR B 14 11.351 -0.187 4.585 1.00 0.00 H new ATOM 0 HE2 TYR B 14 15.572 0.415 5.271 1.00 0.00 H new ATOM 0 HH TYR B 14 14.030 0.504 6.901 1.00 0.00 H new ATOM 1283 N ILE B 15 16.101 -2.924 -0.449 1.00 0.00 N ATOM 1284 CA ILE B 15 17.440 -3.574 -0.416 1.00 0.00 C ATOM 1285 C ILE B 15 18.451 -2.628 0.234 1.00 0.00 C ATOM 1286 O ILE B 15 18.237 -1.436 0.319 1.00 0.00 O ATOM 1287 CB ILE B 15 17.883 -3.891 -1.846 1.00 0.00 C ATOM 1288 CG1 ILE B 15 19.275 -4.527 -1.824 1.00 0.00 C ATOM 1289 CG2 ILE B 15 17.927 -2.599 -2.665 1.00 0.00 C ATOM 1290 CD1 ILE B 15 19.602 -5.088 -3.210 1.00 0.00 C ATOM 0 H ILE B 15 15.748 -2.709 -1.381 1.00 0.00 H new ATOM 0 HA ILE B 15 17.384 -4.496 0.162 1.00 0.00 H new ATOM 0 HB ILE B 15 17.175 -4.585 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE B 15 20.020 -3.786 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE B 15 19.311 -5.323 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE B 15 18.243 -2.825 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE B 15 16.936 -2.146 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE B 15 18.634 -1.905 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE B 15 20.593 -5.541 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE B 15 18.863 -5.842 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE B 15 19.583 -4.281 -3.943 1.00 0.00 H new ATOM 1302 N ALA B 16 19.555 -3.153 0.690 1.00 0.00 N ATOM 1303 CA ALA B 16 20.581 -2.288 1.331 1.00 0.00 C ATOM 1304 C ALA B 16 21.771 -2.127 0.382 1.00 0.00 C ATOM 1305 O ALA B 16 22.804 -2.744 0.552 1.00 0.00 O ATOM 1306 CB ALA B 16 21.046 -2.935 2.636 1.00 0.00 C ATOM 0 H ALA B 16 19.790 -4.145 0.646 1.00 0.00 H new ATOM 0 HA ALA B 16 20.154 -1.308 1.546 1.00 0.00 H new ATOM 0 HB1 ALA B 16 21.798 -2.303 3.108 1.00 0.00 H new ATOM 0 HB2 ALA B 16 20.196 -3.050 3.308 1.00 0.00 H new ATOM 0 HB3 ALA B 16 21.476 -3.914 2.424 1.00 0.00 H new ATOM 1312 N ARG B 17 21.633 -1.301 -0.619 1.00 0.00 N ATOM 1313 CA ARG B 17 22.751 -1.100 -1.583 1.00 0.00 C ATOM 1314 C ARG B 17 22.398 0.060 -2.535 1.00 0.00 C ATOM 1315 O ARG B 17 21.432 -0.033 -3.265 1.00 0.00 O ATOM 1316 CB ARG B 17 22.953 -2.381 -2.397 1.00 0.00 C ATOM 1317 CG ARG B 17 24.155 -2.213 -3.328 1.00 0.00 C ATOM 1318 CD ARG B 17 23.681 -2.247 -4.782 1.00 0.00 C ATOM 1319 NE ARG B 17 24.658 -3.015 -5.604 1.00 0.00 N ATOM 1320 CZ ARG B 17 24.251 -4.017 -6.335 1.00 0.00 C ATOM 1321 NH1 ARG B 17 24.159 -5.209 -5.813 1.00 0.00 N ATOM 1322 NH2 ARG B 17 23.937 -3.826 -7.587 1.00 0.00 N ATOM 0 H ARG B 17 20.792 -0.756 -0.811 1.00 0.00 H new ATOM 0 HA ARG B 17 23.666 -0.863 -1.041 1.00 0.00 H new ATOM 0 HB2 ARG B 17 23.113 -3.227 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.057 -2.599 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG B 17 24.660 -1.270 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG B 17 24.879 -3.008 -3.152 1.00 0.00 H new ATOM 0 HD2 ARG B 17 22.695 -2.708 -4.844 1.00 0.00 H new ATOM 0 HD3 ARG B 17 23.583 -1.232 -5.168 1.00 0.00 H new ATOM 0 HE ARG B 17 25.645 -2.758 -5.596 1.00 0.00 H new ATOM 0 HH11 ARG B 17 24.405 -5.358 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG B 17 23.841 -5.992 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG B 17 24.010 -2.894 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG B 17 23.619 -4.609 -8.158 1.00 0.00 H new ATOM 1336 N PRO B 18 23.180 1.126 -2.511 1.00 0.00 N ATOM 1337 CA PRO B 18 22.922 2.287 -3.381 1.00 0.00 C ATOM 1338 C PRO B 18 22.919 1.876 -4.854 1.00 0.00 C ATOM 1339 O PRO B 18 23.952 1.695 -5.466 1.00 0.00 O ATOM 1340 CB PRO B 18 24.065 3.270 -3.080 1.00 0.00 C ATOM 1341 CG PRO B 18 24.988 2.611 -2.026 1.00 0.00 C ATOM 1342 CD PRO B 18 24.362 1.265 -1.633 1.00 0.00 C ATOM 0 HA PRO B 18 21.945 2.732 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO B 18 24.623 3.497 -3.988 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.669 4.214 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO B 18 25.988 2.463 -2.433 1.00 0.00 H new ATOM 0 HG3 PRO B 18 25.091 3.254 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO B 18 25.064 0.444 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO B 18 24.077 1.254 -0.581 1.00 0.00 H new ATOM 1350 N LEU B 19 21.751 1.737 -5.425 1.00 0.00 N ATOM 1351 CA LEU B 19 21.652 1.345 -6.860 1.00 0.00 C ATOM 1352 C LEU B 19 22.425 2.365 -7.713 1.00 0.00 C ATOM 1353 O LEU B 19 22.105 3.537 -7.679 1.00 0.00 O ATOM 1354 CB LEU B 19 20.185 1.369 -7.295 1.00 0.00 C ATOM 1355 CG LEU B 19 19.339 0.487 -6.379 1.00 0.00 C ATOM 1356 CD1 LEU B 19 17.893 0.470 -6.884 1.00 0.00 C ATOM 1357 CD2 LEU B 19 19.891 -0.940 -6.378 1.00 0.00 C ATOM 0 H LEU B 19 20.857 1.879 -4.955 1.00 0.00 H new ATOM 0 HA LEU B 19 22.066 0.345 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU B 19 19.810 2.392 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU B 19 20.099 1.021 -8.324 1.00 0.00 H new ATOM 0 HG LEU B 19 19.371 0.887 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU B 19 17.287 -0.159 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU B 19 17.495 1.485 -6.882 1.00 0.00 H new ATOM 0 HD13 LEU B 19 17.867 0.072 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU B 19 19.284 -1.565 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU B 19 19.863 -1.342 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU B 19 20.920 -0.932 -6.019 1.00 0.00 H new ATOM 1369 N PRO B 20 23.407 1.916 -8.468 1.00 0.00 N ATOM 1370 CA PRO B 20 24.186 2.829 -9.319 1.00 0.00 C ATOM 1371 C PRO B 20 23.244 3.602 -10.242 1.00 0.00 C ATOM 1372 O PRO B 20 22.533 3.027 -11.042 1.00 0.00 O ATOM 1373 CB PRO B 20 25.120 1.915 -10.126 1.00 0.00 C ATOM 1374 CG PRO B 20 24.920 0.466 -9.612 1.00 0.00 C ATOM 1375 CD PRO B 20 23.815 0.498 -8.544 1.00 0.00 C ATOM 0 HA PRO B 20 24.746 3.568 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO B 20 24.892 1.978 -11.190 1.00 0.00 H new ATOM 0 HB3 PRO B 20 26.158 2.225 -10.004 1.00 0.00 H new ATOM 0 HG2 PRO B 20 24.641 -0.196 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO B 20 25.848 0.078 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO B 20 22.977 -0.141 -8.822 1.00 0.00 H new ATOM 0 HD3 PRO B 20 24.183 0.140 -7.583 1.00 0.00 H new ATOM 1383 N ARG B 21 23.222 4.905 -10.128 1.00 0.00 N ATOM 1384 CA ARG B 21 22.315 5.722 -10.988 1.00 0.00 C ATOM 1385 C ARG B 21 22.453 5.297 -12.454 1.00 0.00 C ATOM 1386 O ARG B 21 21.545 5.463 -13.245 1.00 0.00 O ATOM 1387 CB ARG B 21 22.667 7.207 -10.836 1.00 0.00 C ATOM 1388 CG ARG B 21 24.055 7.481 -11.421 1.00 0.00 C ATOM 1389 CD ARG B 21 23.917 7.821 -12.904 1.00 0.00 C ATOM 1390 NE ARG B 21 25.046 8.697 -13.324 1.00 0.00 N ATOM 1391 CZ ARG B 21 25.233 8.958 -14.590 1.00 0.00 C ATOM 1392 NH1 ARG B 21 24.273 9.494 -15.295 1.00 0.00 N ATOM 1393 NH2 ARG B 21 26.377 8.681 -15.152 1.00 0.00 N ATOM 0 H ARG B 21 23.795 5.439 -9.475 1.00 0.00 H new ATOM 0 HA ARG B 21 21.283 5.562 -10.675 1.00 0.00 H new ATOM 0 HB2 ARG B 21 21.922 7.819 -11.344 1.00 0.00 H new ATOM 0 HB3 ARG B 21 22.646 7.488 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG B 21 24.531 8.305 -10.889 1.00 0.00 H new ATOM 0 HG3 ARG B 21 24.695 6.608 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG B 21 23.912 6.907 -13.498 1.00 0.00 H new ATOM 0 HD3 ARG B 21 22.967 8.324 -13.085 1.00 0.00 H new ATOM 0 HE ARG B 21 25.673 9.093 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG B 21 23.377 9.709 -14.857 1.00 0.00 H new ATOM 0 HH12 ARG B 21 24.419 9.698 -16.284 1.00 0.00 H new ATOM 0 HH21 ARG B 21 27.126 8.260 -14.603 1.00 0.00 H new ATOM 0 HH22 ARG B 21 26.522 8.885 -16.141 1.00 0.00 H new ATOM 1407 N ALA B 22 23.579 4.753 -12.822 1.00 0.00 N ATOM 1408 CA ALA B 22 23.765 4.321 -14.235 1.00 0.00 C ATOM 1409 C ALA B 22 22.816 3.164 -14.542 1.00 0.00 C ATOM 1410 O ALA B 22 22.106 3.177 -15.528 1.00 0.00 O ATOM 1411 CB ALA B 22 25.211 3.867 -14.446 1.00 0.00 C ATOM 0 H ALA B 22 24.376 4.589 -12.208 1.00 0.00 H new ATOM 0 HA ALA B 22 23.548 5.156 -14.901 1.00 0.00 H new ATOM 0 HB1 ALA B 22 25.346 3.551 -15.480 1.00 0.00 H new ATOM 0 HB2 ALA B 22 25.887 4.693 -14.228 1.00 0.00 H new ATOM 0 HB3 ALA B 22 25.431 3.033 -13.780 1.00 0.00 H new ATOM 1417 N HIS B 23 22.796 2.162 -13.707 1.00 0.00 N ATOM 1418 CA HIS B 23 21.890 1.009 -13.959 1.00 0.00 C ATOM 1419 C HIS B 23 20.439 1.457 -13.785 1.00 0.00 C ATOM 1420 O HIS B 23 19.532 0.870 -14.340 1.00 0.00 O ATOM 1421 CB HIS B 23 22.190 -0.114 -12.965 1.00 0.00 C ATOM 1422 CG HIS B 23 23.658 -0.437 -12.989 1.00 0.00 C ATOM 1423 ND1 HIS B 23 24.196 -1.485 -12.254 1.00 0.00 N ATOM 1424 CD2 HIS B 23 24.714 0.133 -13.658 1.00 0.00 C ATOM 1425 CE1 HIS B 23 25.513 -1.517 -12.491 1.00 0.00 C ATOM 1426 NE2 HIS B 23 25.883 -0.549 -13.343 1.00 0.00 N ATOM 0 H HIS B 23 23.366 2.093 -12.864 1.00 0.00 H new ATOM 0 HA HIS B 23 22.047 0.646 -14.975 1.00 0.00 H new ATOM 0 HB2 HIS B 23 21.891 0.187 -11.961 1.00 0.00 H new ATOM 0 HB3 HIS B 23 21.609 -1.001 -13.218 1.00 0.00 H new ATOM 0 HD2 HIS B 23 24.646 0.980 -14.325 1.00 0.00 H new ATOM 0 HE1 HIS B 23 26.192 -2.232 -12.052 1.00 0.00 H new ATOM 0 HE2 HIS B 23 26.823 -0.355 -13.687 1.00 0.00 H new ATOM 1434 N ILE B 24 20.206 2.490 -13.018 1.00 0.00 N ATOM 1435 CA ILE B 24 18.803 2.953 -12.819 1.00 0.00 C ATOM 1436 C ILE B 24 18.382 3.835 -13.994 1.00 0.00 C ATOM 1437 O ILE B 24 19.200 4.296 -14.764 1.00 0.00 O ATOM 1438 CB ILE B 24 18.684 3.762 -11.528 1.00 0.00 C ATOM 1439 CG1 ILE B 24 19.340 3.003 -10.372 1.00 0.00 C ATOM 1440 CG2 ILE B 24 17.203 4.006 -11.217 1.00 0.00 C ATOM 1441 CD1 ILE B 24 19.191 3.803 -9.076 1.00 0.00 C ATOM 0 H ILE B 24 20.919 3.028 -12.526 1.00 0.00 H new ATOM 0 HA ILE B 24 18.157 2.078 -12.756 1.00 0.00 H new ATOM 0 HB ILE B 24 19.192 4.718 -11.653 1.00 0.00 H new ATOM 0 HG12 ILE B 24 18.878 2.022 -10.260 1.00 0.00 H new ATOM 0 HG13 ILE B 24 20.395 2.835 -10.587 1.00 0.00 H new ATOM 0 HG21 ILE B 24 17.115 4.583 -10.296 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.745 4.559 -12.037 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.694 3.050 -11.096 1.00 0.00 H new ATOM 0 HD11 ILE B 24 19.660 3.258 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE B 24 19.674 4.773 -9.190 1.00 0.00 H new ATOM 0 HD13 ILE B 24 18.133 3.948 -8.857 1.00 0.00 H new ATOM 1453 N LYS B 25 17.108 4.074 -14.135 1.00 0.00 N ATOM 1454 CA LYS B 25 16.629 4.928 -15.256 1.00 0.00 C ATOM 1455 C LYS B 25 15.754 6.067 -14.715 1.00 0.00 C ATOM 1456 O LYS B 25 15.653 7.121 -15.312 1.00 0.00 O ATOM 1457 CB LYS B 25 15.803 4.072 -16.218 1.00 0.00 C ATOM 1458 CG LYS B 25 16.696 3.575 -17.357 1.00 0.00 C ATOM 1459 CD LYS B 25 16.862 4.690 -18.390 1.00 0.00 C ATOM 1460 CE LYS B 25 18.068 4.387 -19.281 1.00 0.00 C ATOM 1461 NZ LYS B 25 19.322 4.546 -18.493 1.00 0.00 N ATOM 0 H LYS B 25 16.377 3.714 -13.521 1.00 0.00 H new ATOM 0 HA LYS B 25 17.487 5.354 -15.775 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.369 3.225 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS B 25 14.974 4.655 -16.620 1.00 0.00 H new ATOM 0 HG2 LYS B 25 17.669 3.276 -16.968 1.00 0.00 H new ATOM 0 HG3 LYS B 25 16.255 2.694 -17.823 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.961 4.775 -18.997 1.00 0.00 H new ATOM 0 HD3 LYS B 25 16.999 5.648 -17.888 1.00 0.00 H new ATOM 0 HE2 LYS B 25 17.998 3.372 -19.672 1.00 0.00 H new ATOM 0 HE3 LYS B 25 18.078 5.059 -20.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 20.104 4.795 -19.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 19.196 5.301 -17.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 19.542 3.653 -18.007 1.00 0.00 H new ATOM 1475 N GLU B 26 15.109 5.859 -13.598 1.00 0.00 N ATOM 1476 CA GLU B 26 14.226 6.910 -13.025 1.00 0.00 C ATOM 1477 C GLU B 26 13.952 6.544 -11.560 1.00 0.00 C ATOM 1478 O GLU B 26 14.690 5.785 -10.965 1.00 0.00 O ATOM 1479 CB GLU B 26 12.903 6.975 -13.824 1.00 0.00 C ATOM 1480 CG GLU B 26 12.578 5.624 -14.481 1.00 0.00 C ATOM 1481 CD GLU B 26 12.888 5.686 -15.980 1.00 0.00 C ATOM 1482 OE1 GLU B 26 13.538 6.631 -16.395 1.00 0.00 O ATOM 1483 OE2 GLU B 26 12.471 4.785 -16.688 1.00 0.00 O ATOM 0 H GLU B 26 15.158 4.997 -13.055 1.00 0.00 H new ATOM 0 HA GLU B 26 14.703 7.888 -13.082 1.00 0.00 H new ATOM 0 HB2 GLU B 26 12.089 7.263 -13.159 1.00 0.00 H new ATOM 0 HB3 GLU B 26 12.977 7.746 -14.591 1.00 0.00 H new ATOM 0 HG2 GLU B 26 13.162 4.832 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.527 5.379 -14.328 1.00 0.00 H new ATOM 1490 N TYR B 27 12.899 7.046 -10.974 1.00 0.00 N ATOM 1491 CA TYR B 27 12.599 6.689 -9.570 1.00 0.00 C ATOM 1492 C TYR B 27 11.116 6.927 -9.329 1.00 0.00 C ATOM 1493 O TYR B 27 10.399 7.313 -10.233 1.00 0.00 O ATOM 1494 CB TYR B 27 13.435 7.552 -8.627 1.00 0.00 C ATOM 1495 CG TYR B 27 13.331 8.998 -9.054 1.00 0.00 C ATOM 1496 CD1 TYR B 27 12.193 9.758 -8.703 1.00 0.00 C ATOM 1497 CD2 TYR B 27 14.364 9.585 -9.817 1.00 0.00 C ATOM 1498 CE1 TYR B 27 12.087 11.105 -9.116 1.00 0.00 C ATOM 1499 CE2 TYR B 27 14.260 10.934 -10.229 1.00 0.00 C ATOM 1500 CZ TYR B 27 13.120 11.693 -9.879 1.00 0.00 C ATOM 1501 OH TYR B 27 13.019 13.008 -10.281 1.00 0.00 O ATOM 0 H TYR B 27 12.237 7.687 -11.412 1.00 0.00 H new ATOM 0 HA TYR B 27 12.843 5.643 -9.382 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.084 7.437 -7.602 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.476 7.229 -8.645 1.00 0.00 H new ATOM 0 HD1 TYR B 27 11.404 9.309 -8.119 1.00 0.00 H new ATOM 0 HD2 TYR B 27 15.234 9.004 -10.086 1.00 0.00 H new ATOM 0 HE1 TYR B 27 11.216 11.685 -8.848 1.00 0.00 H new ATOM 0 HE2 TYR B 27 15.051 11.384 -10.811 1.00 0.00 H new ATOM 0 HH TYR B 27 13.815 13.255 -10.796 1.00 0.00 H new ATOM 1511 N PHE B 28 10.631 6.700 -8.139 1.00 0.00 N ATOM 1512 CA PHE B 28 9.186 6.923 -7.915 1.00 0.00 C ATOM 1513 C PHE B 28 8.889 7.038 -6.414 1.00 0.00 C ATOM 1514 O PHE B 28 8.542 6.073 -5.767 1.00 0.00 O ATOM 1515 CB PHE B 28 8.399 5.751 -8.525 1.00 0.00 C ATOM 1516 CG PHE B 28 6.939 5.838 -8.138 1.00 0.00 C ATOM 1517 CD1 PHE B 28 6.061 6.683 -8.853 1.00 0.00 C ATOM 1518 CD2 PHE B 28 6.457 5.079 -7.049 1.00 0.00 C ATOM 1519 CE1 PHE B 28 4.704 6.772 -8.474 1.00 0.00 C ATOM 1520 CE2 PHE B 28 5.104 5.168 -6.668 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.224 6.017 -7.379 1.00 0.00 C ATOM 0 H PHE B 28 11.164 6.377 -7.331 1.00 0.00 H new ATOM 0 HA PHE B 28 8.884 7.855 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE B 28 8.496 5.766 -9.611 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.817 4.805 -8.181 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.428 7.260 -9.689 1.00 0.00 H new ATOM 0 HD2 PHE B 28 7.128 4.429 -6.507 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.032 7.417 -9.021 1.00 0.00 H new ATOM 0 HE2 PHE B 28 4.739 4.588 -5.833 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.187 6.088 -7.086 1.00 0.00 H new ATOM 1531 N TYR B 29 9.000 8.212 -5.858 1.00 0.00 N ATOM 1532 CA TYR B 29 8.703 8.366 -4.410 1.00 0.00 C ATOM 1533 C TYR B 29 7.257 7.944 -4.155 1.00 0.00 C ATOM 1534 O TYR B 29 6.347 8.330 -4.862 1.00 0.00 O ATOM 1535 CB TYR B 29 8.892 9.826 -3.997 1.00 0.00 C ATOM 1536 CG TYR B 29 8.484 10.012 -2.554 1.00 0.00 C ATOM 1537 CD1 TYR B 29 9.419 9.792 -1.520 1.00 0.00 C ATOM 1538 CD2 TYR B 29 7.165 10.412 -2.242 1.00 0.00 C ATOM 1539 CE1 TYR B 29 9.036 9.971 -0.171 1.00 0.00 C ATOM 1540 CE2 TYR B 29 6.783 10.591 -0.894 1.00 0.00 C ATOM 1541 CZ TYR B 29 7.718 10.371 0.142 1.00 0.00 C ATOM 1542 OH TYR B 29 7.345 10.551 1.457 1.00 0.00 O ATOM 0 H TYR B 29 9.282 9.065 -6.341 1.00 0.00 H new ATOM 0 HA TYR B 29 9.380 7.742 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR B 29 9.934 10.118 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR B 29 8.295 10.474 -4.639 1.00 0.00 H new ATOM 0 HD1 TYR B 29 10.427 9.487 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR B 29 6.450 10.581 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR B 29 9.751 9.802 0.620 1.00 0.00 H new ATOM 0 HE2 TYR B 29 5.775 10.896 -0.655 1.00 0.00 H new ATOM 0 HH TYR B 29 6.406 10.827 1.496 1.00 0.00 H new ATOM 1552 N THR B 30 7.047 7.154 -3.149 1.00 0.00 N ATOM 1553 CA THR B 30 5.665 6.695 -2.834 1.00 0.00 C ATOM 1554 C THR B 30 5.046 7.623 -1.786 1.00 0.00 C ATOM 1555 O THR B 30 5.712 8.084 -0.880 1.00 0.00 O ATOM 1556 CB THR B 30 5.711 5.267 -2.287 1.00 0.00 C ATOM 1557 OG1 THR B 30 4.439 4.919 -1.761 1.00 0.00 O ATOM 1558 CG2 THR B 30 6.762 5.179 -1.179 1.00 0.00 C ATOM 0 H THR B 30 7.773 6.802 -2.525 1.00 0.00 H new ATOM 0 HA THR B 30 5.061 6.716 -3.741 1.00 0.00 H new ATOM 0 HB THR B 30 5.972 4.579 -3.091 1.00 0.00 H new ATOM 0 HG1 THR B 30 4.552 4.277 -1.029 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.795 4.162 -0.789 1.00 0.00 H new ATOM 0 HG22 THR B 30 7.739 5.445 -1.582 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.502 5.868 -0.375 1.00 0.00 H new ATOM 1566 N SER B 31 3.775 7.900 -1.902 1.00 0.00 N ATOM 1567 CA SER B 31 3.114 8.798 -0.912 1.00 0.00 C ATOM 1568 C SER B 31 3.027 8.092 0.442 1.00 0.00 C ATOM 1569 O SER B 31 3.784 7.186 0.729 1.00 0.00 O ATOM 1570 CB SER B 31 1.704 9.141 -1.399 1.00 0.00 C ATOM 1571 OG SER B 31 1.708 9.258 -2.815 1.00 0.00 O ATOM 0 H SER B 31 3.166 7.544 -2.639 1.00 0.00 H new ATOM 0 HA SER B 31 3.697 9.713 -0.806 1.00 0.00 H new ATOM 0 HB2 SER B 31 1.002 8.367 -1.089 1.00 0.00 H new ATOM 0 HB3 SER B 31 1.369 10.074 -0.947 1.00 0.00 H new ATOM 0 HG SER B 31 0.805 9.476 -3.128 1.00 0.00 H new ATOM 1577 N GLY B 32 2.108 8.498 1.276 1.00 0.00 N ATOM 1578 CA GLY B 32 1.973 7.848 2.610 1.00 0.00 C ATOM 1579 C GLY B 32 0.812 6.851 2.574 1.00 0.00 C ATOM 1580 O GLY B 32 0.234 6.519 3.589 1.00 0.00 O ATOM 0 H GLY B 32 1.446 9.251 1.091 1.00 0.00 H new ATOM 0 HA2 GLY B 32 2.899 7.336 2.873 1.00 0.00 H new ATOM 0 HA3 GLY B 32 1.796 8.601 3.378 1.00 0.00 H new ATOM 1584 N LYS B 33 0.468 6.371 1.410 1.00 0.00 N ATOM 1585 CA LYS B 33 -0.654 5.397 1.305 1.00 0.00 C ATOM 1586 C LYS B 33 -0.307 4.131 2.087 1.00 0.00 C ATOM 1587 O LYS B 33 -0.915 3.821 3.093 1.00 0.00 O ATOM 1588 CB LYS B 33 -0.872 5.033 -0.164 1.00 0.00 C ATOM 1589 CG LYS B 33 -1.058 6.310 -0.985 1.00 0.00 C ATOM 1590 CD LYS B 33 -2.154 6.088 -2.029 1.00 0.00 C ATOM 1591 CE LYS B 33 -3.457 6.724 -1.542 1.00 0.00 C ATOM 1592 NZ LYS B 33 -3.437 8.183 -1.839 1.00 0.00 N ATOM 0 H LYS B 33 0.917 6.612 0.526 1.00 0.00 H new ATOM 0 HA LYS B 33 -1.560 5.843 1.714 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -0.019 4.468 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.748 4.393 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -1.326 7.140 -0.331 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -0.123 6.580 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -1.857 6.525 -2.982 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.299 5.021 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -4.309 6.254 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -3.576 6.561 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.323 8.617 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -2.632 8.625 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -3.343 8.327 -2.865 1.00 0.00 H new ATOM 1606 N CYS B 34 0.664 3.394 1.626 1.00 0.00 N ATOM 1607 CA CYS B 34 1.055 2.139 2.329 1.00 0.00 C ATOM 1608 C CYS B 34 1.749 2.487 3.646 1.00 0.00 C ATOM 1609 O CYS B 34 2.095 3.625 3.896 1.00 0.00 O ATOM 1610 CB CYS B 34 2.019 1.336 1.446 1.00 0.00 C ATOM 1611 SG CYS B 34 1.402 1.286 -0.257 1.00 0.00 S ATOM 0 H CYS B 34 1.207 3.607 0.789 1.00 0.00 H new ATOM 0 HA CYS B 34 0.163 1.545 2.531 1.00 0.00 H new ATOM 0 HB2 CYS B 34 3.010 1.789 1.469 1.00 0.00 H new ATOM 0 HB3 CYS B 34 2.123 0.323 1.834 1.00 0.00 H new ATOM 1616 N SER B 35 1.963 1.513 4.490 1.00 0.00 N ATOM 1617 CA SER B 35 2.644 1.788 5.787 1.00 0.00 C ATOM 1618 C SER B 35 4.143 1.528 5.629 1.00 0.00 C ATOM 1619 O SER B 35 4.788 0.988 6.505 1.00 0.00 O ATOM 1620 CB SER B 35 2.076 0.871 6.871 1.00 0.00 C ATOM 1621 OG SER B 35 2.073 1.554 8.115 1.00 0.00 O ATOM 0 H SER B 35 1.696 0.541 4.337 1.00 0.00 H new ATOM 0 HA SER B 35 2.479 2.826 6.075 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.063 0.565 6.609 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.674 -0.037 6.944 1.00 0.00 H new ATOM 0 HG SER B 35 1.708 0.967 8.810 1.00 0.00 H new ATOM 1627 N ASN B 36 4.699 1.908 4.511 1.00 0.00 N ATOM 1628 CA ASN B 36 6.153 1.688 4.279 1.00 0.00 C ATOM 1629 C ASN B 36 6.677 2.768 3.324 1.00 0.00 C ATOM 1630 O ASN B 36 6.851 2.510 2.150 1.00 0.00 O ATOM 1631 CB ASN B 36 6.366 0.312 3.648 1.00 0.00 C ATOM 1632 CG ASN B 36 6.729 -0.701 4.735 1.00 0.00 C ATOM 1633 OD1 ASN B 36 5.951 -1.582 5.045 1.00 0.00 O ATOM 1634 ND2 ASN B 36 7.887 -0.614 5.330 1.00 0.00 N ATOM 0 H ASN B 36 4.204 2.364 3.744 1.00 0.00 H new ATOM 0 HA ASN B 36 6.688 1.740 5.227 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.461 -0.005 3.129 1.00 0.00 H new ATOM 0 HB3 ASN B 36 7.160 0.361 2.903 1.00 0.00 H new ATOM 0 HD21 ASN B 36 8.139 -1.285 6.055 1.00 0.00 H new ATOM 0 HD22 ASN B 36 8.540 0.125 5.070 1.00 0.00 H new ATOM 1641 N PRO B 37 6.918 3.952 3.848 1.00 0.00 N ATOM 1642 CA PRO B 37 7.424 5.062 3.028 1.00 0.00 C ATOM 1643 C PRO B 37 8.725 4.646 2.346 1.00 0.00 C ATOM 1644 O PRO B 37 9.537 3.945 2.918 1.00 0.00 O ATOM 1645 CB PRO B 37 7.672 6.205 4.025 1.00 0.00 C ATOM 1646 CG PRO B 37 7.201 5.724 5.422 1.00 0.00 C ATOM 1647 CD PRO B 37 6.716 4.275 5.277 1.00 0.00 C ATOM 0 HA PRO B 37 6.730 5.356 2.240 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.729 6.469 4.048 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.126 7.099 3.725 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.017 5.784 6.142 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.399 6.360 5.795 1.00 0.00 H new ATOM 0 HD2 PRO B 37 7.284 3.601 5.919 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.668 4.178 5.560 1.00 0.00 H new ATOM 1655 N ALA B 38 8.936 5.062 1.127 1.00 0.00 N ATOM 1656 CA ALA B 38 10.188 4.672 0.425 1.00 0.00 C ATOM 1657 C ALA B 38 10.321 5.449 -0.875 1.00 0.00 C ATOM 1658 O ALA B 38 9.640 6.428 -1.114 1.00 0.00 O ATOM 1659 CB ALA B 38 10.153 3.165 0.109 1.00 0.00 C ATOM 0 H ALA B 38 8.299 5.651 0.591 1.00 0.00 H new ATOM 0 HA ALA B 38 11.038 4.897 1.069 1.00 0.00 H new ATOM 0 HB1 ALA B 38 11.071 2.880 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA B 38 10.067 2.600 1.037 1.00 0.00 H new ATOM 0 HB3 ALA B 38 9.297 2.947 -0.529 1.00 0.00 H new ATOM 1665 N VAL B 39 11.186 4.992 -1.721 1.00 0.00 N ATOM 1666 CA VAL B 39 11.395 5.635 -3.031 1.00 0.00 C ATOM 1667 C VAL B 39 11.633 4.474 -3.967 1.00 0.00 C ATOM 1668 O VAL B 39 12.312 3.528 -3.615 1.00 0.00 O ATOM 1669 CB VAL B 39 12.582 6.623 -2.945 1.00 0.00 C ATOM 1670 CG1 VAL B 39 13.857 6.076 -3.609 1.00 0.00 C ATOM 1671 CG2 VAL B 39 12.193 7.946 -3.610 1.00 0.00 C ATOM 0 H VAL B 39 11.773 4.175 -1.552 1.00 0.00 H new ATOM 0 HA VAL B 39 10.558 6.240 -3.378 1.00 0.00 H new ATOM 0 HB VAL B 39 12.803 6.772 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL B 39 14.658 6.810 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL B 39 14.156 5.151 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL B 39 13.662 5.879 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL B 39 13.029 8.643 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL B 39 11.943 7.768 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.329 8.370 -3.098 1.00 0.00 H new ATOM 1681 N VAL B 40 11.031 4.485 -5.104 1.00 0.00 N ATOM 1682 CA VAL B 40 11.184 3.306 -5.984 1.00 0.00 C ATOM 1683 C VAL B 40 11.995 3.614 -7.223 1.00 0.00 C ATOM 1684 O VAL B 40 11.633 4.422 -8.048 1.00 0.00 O ATOM 1685 CB VAL B 40 9.798 2.779 -6.339 1.00 0.00 C ATOM 1686 CG1 VAL B 40 9.878 1.703 -7.422 1.00 0.00 C ATOM 1687 CG2 VAL B 40 9.209 2.153 -5.085 1.00 0.00 C ATOM 0 H VAL B 40 10.448 5.241 -5.463 1.00 0.00 H new ATOM 0 HA VAL B 40 11.742 2.538 -5.448 1.00 0.00 H new ATOM 0 HB VAL B 40 9.186 3.600 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL B 40 8.875 1.346 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL B 40 10.331 2.123 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL B 40 10.485 0.871 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL B 40 8.214 1.765 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL B 40 9.851 1.338 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL B 40 9.139 2.907 -4.301 1.00 0.00 H new ATOM 1697 N PHE B 41 13.085 2.931 -7.369 1.00 0.00 N ATOM 1698 CA PHE B 41 13.915 3.147 -8.556 1.00 0.00 C ATOM 1699 C PHE B 41 13.403 2.304 -9.696 1.00 0.00 C ATOM 1700 O PHE B 41 13.148 1.131 -9.565 1.00 0.00 O ATOM 1701 CB PHE B 41 15.369 2.782 -8.254 1.00 0.00 C ATOM 1702 CG PHE B 41 16.032 3.911 -7.504 1.00 0.00 C ATOM 1703 CD1 PHE B 41 16.042 5.216 -8.047 1.00 0.00 C ATOM 1704 CD2 PHE B 41 16.652 3.659 -6.261 1.00 0.00 C ATOM 1705 CE1 PHE B 41 16.676 6.269 -7.346 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.282 4.709 -5.561 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.297 6.013 -6.103 1.00 0.00 C ATOM 0 H PHE B 41 13.432 2.232 -6.712 1.00 0.00 H new ATOM 0 HA PHE B 41 13.866 4.199 -8.836 1.00 0.00 H new ATOM 0 HB2 PHE B 41 15.409 1.867 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.905 2.585 -9.183 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.566 5.409 -8.997 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.644 2.662 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE B 41 16.685 7.266 -7.760 1.00 0.00 H new ATOM 0 HE2 PHE B 41 17.754 4.515 -4.609 1.00 0.00 H new ATOM 0 HZ PHE B 41 17.783 6.815 -5.567 1.00 0.00 H new ATOM 1717 N VAL B 42 13.264 2.912 -10.820 1.00 0.00 N ATOM 1718 CA VAL B 42 12.790 2.184 -12.017 1.00 0.00 C ATOM 1719 C VAL B 42 14.024 2.029 -12.924 1.00 0.00 C ATOM 1720 O VAL B 42 14.294 2.858 -13.771 1.00 0.00 O ATOM 1721 CB VAL B 42 11.681 2.976 -12.728 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.374 2.213 -12.578 1.00 0.00 C ATOM 1723 CG2 VAL B 42 11.485 4.363 -12.112 1.00 0.00 C ATOM 0 H VAL B 42 13.461 3.902 -10.969 1.00 0.00 H new ATOM 0 HA VAL B 42 12.362 1.216 -11.758 1.00 0.00 H new ATOM 0 HB VAL B 42 11.969 3.096 -13.772 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.574 2.760 -13.077 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.475 1.226 -13.030 1.00 0.00 H new ATOM 0 HG13 VAL B 42 10.135 2.105 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL B 42 10.692 4.889 -12.644 1.00 0.00 H new ATOM 0 HG22 VAL B 42 11.210 4.259 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL B 42 12.413 4.930 -12.190 1.00 0.00 H new ATOM 1733 N THR B 43 14.811 1.011 -12.691 1.00 0.00 N ATOM 1734 CA THR B 43 16.084 0.824 -13.466 1.00 0.00 C ATOM 1735 C THR B 43 15.846 0.232 -14.850 1.00 0.00 C ATOM 1736 O THR B 43 14.754 0.263 -15.382 1.00 0.00 O ATOM 1737 CB THR B 43 17.016 -0.108 -12.681 1.00 0.00 C ATOM 1738 OG1 THR B 43 16.561 -1.447 -12.810 1.00 0.00 O ATOM 1739 CG2 THR B 43 17.029 0.286 -11.201 1.00 0.00 C ATOM 0 H THR B 43 14.628 0.292 -11.991 1.00 0.00 H new ATOM 0 HA THR B 43 16.532 1.809 -13.601 1.00 0.00 H new ATOM 0 HB THR B 43 18.026 -0.022 -13.081 1.00 0.00 H new ATOM 0 HG1 THR B 43 17.156 -2.044 -12.311 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.693 -0.382 -10.653 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.382 1.312 -11.101 1.00 0.00 H new ATOM 0 HG23 THR B 43 16.020 0.208 -10.795 1.00 0.00 H new ATOM 1747 N ARG B 44 16.896 -0.288 -15.447 1.00 0.00 N ATOM 1748 CA ARG B 44 16.784 -0.870 -16.814 1.00 0.00 C ATOM 1749 C ARG B 44 15.584 -1.815 -16.871 1.00 0.00 C ATOM 1750 O ARG B 44 14.630 -1.565 -17.581 1.00 0.00 O ATOM 1751 CB ARG B 44 18.071 -1.622 -17.187 1.00 0.00 C ATOM 1752 CG ARG B 44 18.598 -2.425 -15.991 1.00 0.00 C ATOM 1753 CD ARG B 44 20.064 -2.072 -15.745 1.00 0.00 C ATOM 1754 NE ARG B 44 20.735 -3.205 -15.048 1.00 0.00 N ATOM 1755 CZ ARG B 44 22.038 -3.262 -14.998 1.00 0.00 C ATOM 1756 NH1 ARG B 44 22.742 -3.033 -16.072 1.00 0.00 N ATOM 1757 NH2 ARG B 44 22.635 -3.551 -13.875 1.00 0.00 N ATOM 0 H ARG B 44 17.829 -0.331 -15.038 1.00 0.00 H new ATOM 0 HA ARG B 44 16.640 -0.062 -17.532 1.00 0.00 H new ATOM 0 HB2 ARG B 44 17.876 -2.293 -18.024 1.00 0.00 H new ATOM 0 HB3 ARG B 44 18.830 -0.912 -17.517 1.00 0.00 H new ATOM 0 HG2 ARG B 44 18.006 -2.205 -15.103 1.00 0.00 H new ATOM 0 HG3 ARG B 44 18.498 -3.493 -16.184 1.00 0.00 H new ATOM 0 HD2 ARG B 44 20.564 -1.866 -16.691 1.00 0.00 H new ATOM 0 HD3 ARG B 44 20.135 -1.166 -15.143 1.00 0.00 H new ATOM 0 HE ARG B 44 20.176 -3.937 -14.610 1.00 0.00 H new ATOM 0 HH11 ARG B 44 22.274 -2.809 -16.950 1.00 0.00 H new ATOM 0 HH12 ARG B 44 23.760 -3.077 -16.033 1.00 0.00 H new ATOM 0 HH21 ARG B 44 22.084 -3.732 -13.036 1.00 0.00 H new ATOM 0 HH22 ARG B 44 23.653 -3.596 -13.836 1.00 0.00 H new ATOM 1771 N LYS B 45 15.583 -2.870 -16.093 1.00 0.00 N ATOM 1772 CA LYS B 45 14.390 -3.769 -16.086 1.00 0.00 C ATOM 1773 C LYS B 45 13.193 -2.885 -15.738 1.00 0.00 C ATOM 1774 O LYS B 45 12.084 -3.080 -16.197 1.00 0.00 O ATOM 1775 CB LYS B 45 14.563 -4.864 -15.032 1.00 0.00 C ATOM 1776 CG LYS B 45 15.484 -5.955 -15.580 1.00 0.00 C ATOM 1777 CD LYS B 45 15.237 -7.262 -14.823 1.00 0.00 C ATOM 1778 CE LYS B 45 14.202 -8.100 -15.577 1.00 0.00 C ATOM 1779 NZ LYS B 45 14.499 -9.547 -15.382 1.00 0.00 N ATOM 0 H LYS B 45 16.344 -3.144 -15.472 1.00 0.00 H new ATOM 0 HA LYS B 45 14.254 -4.260 -17.050 1.00 0.00 H new ATOM 0 HB2 LYS B 45 14.984 -4.442 -14.119 1.00 0.00 H new ATOM 0 HB3 LYS B 45 13.594 -5.288 -14.770 1.00 0.00 H new ATOM 0 HG2 LYS B 45 15.301 -6.099 -16.645 1.00 0.00 H new ATOM 0 HG3 LYS B 45 16.526 -5.653 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS B 45 16.169 -7.819 -14.723 1.00 0.00 H new ATOM 0 HD3 LYS B 45 14.883 -7.049 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS B 45 13.200 -7.871 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS B 45 14.222 -7.853 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 13.796 -10.118 -15.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 15.449 -9.759 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 14.459 -9.776 -14.368 1.00 0.00 H new ATOM 1793 N ASN B 46 13.459 -1.871 -14.958 1.00 0.00 N ATOM 1794 CA ASN B 46 12.424 -0.891 -14.577 1.00 0.00 C ATOM 1795 C ASN B 46 11.398 -1.488 -13.654 1.00 0.00 C ATOM 1796 O ASN B 46 10.409 -0.848 -13.352 1.00 0.00 O ATOM 1797 CB ASN B 46 11.734 -0.357 -15.835 1.00 0.00 C ATOM 1798 CG ASN B 46 12.120 1.104 -16.074 1.00 0.00 C ATOM 1799 OD1 ASN B 46 12.793 1.707 -15.266 1.00 0.00 O ATOM 1800 ND2 ASN B 46 11.713 1.704 -17.158 1.00 0.00 N ATOM 0 H ASN B 46 14.381 -1.684 -14.563 1.00 0.00 H new ATOM 0 HA ASN B 46 12.917 -0.077 -14.045 1.00 0.00 H new ATOM 0 HB2 ASN B 46 12.017 -0.961 -16.697 1.00 0.00 H new ATOM 0 HB3 ASN B 46 10.653 -0.442 -15.728 1.00 0.00 H new ATOM 0 HD21 ASN B 46 11.961 2.679 -17.325 1.00 0.00 H new ATOM 0 HD22 ASN B 46 11.147 1.198 -17.839 1.00 0.00 H new ATOM 1807 N ARG B 47 11.634 -2.658 -13.119 1.00 0.00 N ATOM 1808 CA ARG B 47 10.662 -3.179 -12.121 1.00 0.00 C ATOM 1809 C ARG B 47 10.647 -2.096 -11.059 1.00 0.00 C ATOM 1810 O ARG B 47 11.636 -1.410 -10.910 1.00 0.00 O ATOM 1811 CB ARG B 47 11.140 -4.510 -11.536 1.00 0.00 C ATOM 1812 CG ARG B 47 11.378 -5.510 -12.670 1.00 0.00 C ATOM 1813 CD ARG B 47 10.081 -6.265 -12.966 1.00 0.00 C ATOM 1814 NE ARG B 47 10.338 -7.732 -12.928 1.00 0.00 N ATOM 1815 CZ ARG B 47 9.474 -8.559 -13.448 1.00 0.00 C ATOM 1816 NH1 ARG B 47 9.087 -8.407 -14.684 1.00 0.00 N ATOM 1817 NH2 ARG B 47 8.993 -9.538 -12.730 1.00 0.00 N ATOM 0 H ARG B 47 12.433 -3.258 -13.323 1.00 0.00 H new ATOM 0 HA ARG B 47 9.678 -3.379 -12.545 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.059 -4.361 -10.969 1.00 0.00 H new ATOM 0 HB3 ARG B 47 10.397 -4.902 -10.841 1.00 0.00 H new ATOM 0 HG2 ARG B 47 11.719 -4.988 -13.564 1.00 0.00 H new ATOM 0 HG3 ARG B 47 12.164 -6.212 -12.391 1.00 0.00 H new ATOM 0 HD2 ARG B 47 9.319 -6.000 -12.234 1.00 0.00 H new ATOM 0 HD3 ARG B 47 9.696 -5.978 -13.945 1.00 0.00 H new ATOM 0 HE ARG B 47 11.190 -8.090 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG B 47 9.460 -7.641 -15.245 1.00 0.00 H new ATOM 0 HH12 ARG B 47 8.411 -9.054 -15.090 1.00 0.00 H new ATOM 0 HH21 ARG B 47 9.293 -9.656 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG B 47 8.317 -10.185 -13.137 1.00 0.00 H new ATOM 1831 N GLN B 48 9.574 -1.863 -10.380 1.00 0.00 N ATOM 1832 CA GLN B 48 9.613 -0.750 -9.416 1.00 0.00 C ATOM 1833 C GLN B 48 10.358 -1.228 -8.193 1.00 0.00 C ATOM 1834 O GLN B 48 9.808 -1.778 -7.263 1.00 0.00 O ATOM 1835 CB GLN B 48 8.210 -0.250 -9.128 1.00 0.00 C ATOM 1836 CG GLN B 48 7.912 0.860 -10.142 1.00 0.00 C ATOM 1837 CD GLN B 48 6.450 1.297 -10.028 1.00 0.00 C ATOM 1838 OE1 GLN B 48 5.642 0.982 -10.878 1.00 0.00 O ATOM 1839 NE2 GLN B 48 6.076 2.019 -9.008 1.00 0.00 N ATOM 0 H GLN B 48 8.696 -2.377 -10.446 1.00 0.00 H new ATOM 0 HA GLN B 48 10.145 0.113 -9.817 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.486 -1.060 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.138 0.129 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.569 1.711 -9.965 1.00 0.00 H new ATOM 0 HG3 GLN B 48 8.116 0.505 -11.152 1.00 0.00 H new ATOM 0 HE21 GLN B 48 6.755 2.283 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN B 48 5.105 2.319 -8.924 1.00 0.00 H new ATOM 1848 N VAL B 49 11.640 -1.038 -8.245 1.00 0.00 N ATOM 1849 CA VAL B 49 12.537 -1.488 -7.160 1.00 0.00 C ATOM 1850 C VAL B 49 12.430 -0.520 -5.982 1.00 0.00 C ATOM 1851 O VAL B 49 11.809 0.513 -6.073 1.00 0.00 O ATOM 1852 CB VAL B 49 13.994 -1.536 -7.665 1.00 0.00 C ATOM 1853 CG1 VAL B 49 14.684 -2.747 -7.048 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.074 -1.659 -9.210 1.00 0.00 C ATOM 0 H VAL B 49 12.116 -0.575 -9.019 1.00 0.00 H new ATOM 0 HA VAL B 49 12.242 -2.487 -6.840 1.00 0.00 H new ATOM 0 HB VAL B 49 14.480 -0.605 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL B 49 15.716 -2.794 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL B 49 14.671 -2.659 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.159 -3.655 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.119 -1.689 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL B 49 13.575 -2.574 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL B 49 13.585 -0.800 -9.669 1.00 0.00 H new ATOM 1864 N CYS B 50 13.027 -0.851 -4.876 1.00 0.00 N ATOM 1865 CA CYS B 50 12.961 0.037 -3.686 1.00 0.00 C ATOM 1866 C CYS B 50 14.339 0.635 -3.431 1.00 0.00 C ATOM 1867 O CYS B 50 15.208 0.597 -4.280 1.00 0.00 O ATOM 1868 CB CYS B 50 12.593 -0.821 -2.474 1.00 0.00 C ATOM 1869 SG CYS B 50 11.417 -0.005 -1.358 1.00 0.00 S ATOM 0 H CYS B 50 13.564 -1.708 -4.743 1.00 0.00 H new ATOM 0 HA CYS B 50 12.229 0.828 -3.850 1.00 0.00 H new ATOM 0 HB2 CYS B 50 12.165 -1.762 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS B 50 13.500 -1.067 -1.921 1.00 0.00 H new ATOM 1874 N ALA B 51 14.547 1.150 -2.245 1.00 0.00 N ATOM 1875 CA ALA B 51 15.880 1.732 -1.874 1.00 0.00 C ATOM 1876 C ALA B 51 15.768 2.646 -0.651 1.00 0.00 C ATOM 1877 O ALA B 51 16.645 3.438 -0.399 1.00 0.00 O ATOM 1878 CB ALA B 51 16.455 2.540 -3.041 1.00 0.00 C ATOM 0 H ALA B 51 13.844 1.194 -1.508 1.00 0.00 H new ATOM 0 HA ALA B 51 16.542 0.899 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA B 51 17.422 2.955 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.581 1.890 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA B 51 15.772 3.351 -3.293 1.00 0.00 H new ATOM 1884 N ASN B 52 14.725 2.536 0.127 1.00 0.00 N ATOM 1885 CA ASN B 52 14.604 3.396 1.331 1.00 0.00 C ATOM 1886 C ASN B 52 14.459 4.865 0.906 1.00 0.00 C ATOM 1887 O ASN B 52 15.116 5.294 -0.022 1.00 0.00 O ATOM 1888 CB ASN B 52 15.860 3.243 2.176 1.00 0.00 C ATOM 1889 CG ASN B 52 15.626 3.872 3.550 1.00 0.00 C ATOM 1890 OD1 ASN B 52 16.123 4.943 3.835 1.00 0.00 O ATOM 1891 ND2 ASN B 52 14.857 3.261 4.411 1.00 0.00 N ATOM 0 H ASN B 52 13.953 1.886 -0.022 1.00 0.00 H new ATOM 0 HA ASN B 52 13.727 3.098 1.905 1.00 0.00 H new ATOM 0 HB2 ASN B 52 16.112 2.188 2.285 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.705 3.724 1.683 1.00 0.00 H new ATOM 0 HD21 ASN B 52 14.674 3.683 5.321 1.00 0.00 H new ATOM 0 HD22 ASN B 52 14.439 2.362 4.173 1.00 0.00 H new ATOM 1898 N PRO B 53 13.597 5.600 1.580 1.00 0.00 N ATOM 1899 CA PRO B 53 13.367 7.012 1.252 1.00 0.00 C ATOM 1900 C PRO B 53 14.442 7.916 1.873 1.00 0.00 C ATOM 1901 O PRO B 53 14.727 8.985 1.370 1.00 0.00 O ATOM 1902 CB PRO B 53 12.023 7.334 1.913 1.00 0.00 C ATOM 1903 CG PRO B 53 11.751 6.221 2.955 1.00 0.00 C ATOM 1904 CD PRO B 53 12.770 5.098 2.702 1.00 0.00 C ATOM 0 HA PRO B 53 13.388 7.178 0.175 1.00 0.00 H new ATOM 0 HB2 PRO B 53 12.054 8.312 2.393 1.00 0.00 H new ATOM 0 HB3 PRO B 53 11.227 7.369 1.170 1.00 0.00 H new ATOM 0 HG2 PRO B 53 11.852 6.610 3.968 1.00 0.00 H new ATOM 0 HG3 PRO B 53 10.733 5.845 2.858 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.376 4.904 3.587 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.275 4.162 2.443 1.00 0.00 H new ATOM 1912 N GLU B 54 15.006 7.526 2.992 1.00 0.00 N ATOM 1913 CA GLU B 54 16.014 8.408 3.659 1.00 0.00 C ATOM 1914 C GLU B 54 17.385 7.728 3.781 1.00 0.00 C ATOM 1915 O GLU B 54 18.069 7.881 4.773 1.00 0.00 O ATOM 1916 CB GLU B 54 15.508 8.760 5.059 1.00 0.00 C ATOM 1917 CG GLU B 54 14.443 9.855 4.957 1.00 0.00 C ATOM 1918 CD GLU B 54 13.272 9.513 5.882 1.00 0.00 C ATOM 1919 OE1 GLU B 54 12.756 8.414 5.772 1.00 0.00 O ATOM 1920 OE2 GLU B 54 12.913 10.358 6.686 1.00 0.00 O ATOM 0 H GLU B 54 14.814 6.644 3.467 1.00 0.00 H new ATOM 0 HA GLU B 54 16.138 9.302 3.048 1.00 0.00 H new ATOM 0 HB2 GLU B 54 15.090 7.875 5.539 1.00 0.00 H new ATOM 0 HB3 GLU B 54 16.336 9.100 5.682 1.00 0.00 H new ATOM 0 HG2 GLU B 54 14.869 10.819 5.233 1.00 0.00 H new ATOM 0 HG3 GLU B 54 14.094 9.944 3.928 1.00 0.00 H new ATOM 1927 N LYS B 55 17.808 7.003 2.785 1.00 0.00 N ATOM 1928 CA LYS B 55 19.151 6.347 2.858 1.00 0.00 C ATOM 1929 C LYS B 55 20.224 7.284 2.284 1.00 0.00 C ATOM 1930 O LYS B 55 21.262 6.840 1.842 1.00 0.00 O ATOM 1931 CB LYS B 55 19.146 5.050 2.049 1.00 0.00 C ATOM 1932 CG LYS B 55 19.634 3.895 2.927 1.00 0.00 C ATOM 1933 CD LYS B 55 18.659 3.685 4.086 1.00 0.00 C ATOM 1934 CE LYS B 55 19.409 3.109 5.288 1.00 0.00 C ATOM 1935 NZ LYS B 55 19.276 4.036 6.447 1.00 0.00 N ATOM 0 H LYS B 55 17.287 6.834 1.924 1.00 0.00 H new ATOM 0 HA LYS B 55 19.373 6.128 3.902 1.00 0.00 H new ATOM 0 HB2 LYS B 55 18.141 4.842 1.683 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.789 5.152 1.175 1.00 0.00 H new ATOM 0 HG2 LYS B 55 19.713 2.983 2.335 1.00 0.00 H new ATOM 0 HG3 LYS B 55 20.630 4.113 3.312 1.00 0.00 H new ATOM 0 HD2 LYS B 55 18.190 4.631 4.356 1.00 0.00 H new ATOM 0 HD3 LYS B 55 17.860 3.008 3.784 1.00 0.00 H new ATOM 0 HE2 LYS B 55 19.008 2.129 5.545 1.00 0.00 H new ATOM 0 HE3 LYS B 55 20.461 2.968 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 19.786 3.645 7.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 19.679 4.962 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 18.271 4.149 6.688 1.00 0.00 H new ATOM 1949 N LYS B 56 19.982 8.570 2.293 1.00 0.00 N ATOM 1950 CA LYS B 56 20.988 9.539 1.756 1.00 0.00 C ATOM 1951 C LYS B 56 21.227 9.293 0.258 1.00 0.00 C ATOM 1952 O LYS B 56 20.598 9.904 -0.581 1.00 0.00 O ATOM 1953 CB LYS B 56 22.307 9.396 2.524 1.00 0.00 C ATOM 1954 CG LYS B 56 22.103 9.831 3.975 1.00 0.00 C ATOM 1955 CD LYS B 56 23.313 9.402 4.809 1.00 0.00 C ATOM 1956 CE LYS B 56 23.690 10.524 5.777 1.00 0.00 C ATOM 1957 NZ LYS B 56 23.117 10.232 7.121 1.00 0.00 N ATOM 0 H LYS B 56 19.126 8.994 2.651 1.00 0.00 H new ATOM 0 HA LYS B 56 20.602 10.550 1.885 1.00 0.00 H new ATOM 0 HB2 LYS B 56 22.650 8.362 2.488 1.00 0.00 H new ATOM 0 HB3 LYS B 56 23.080 10.005 2.056 1.00 0.00 H new ATOM 0 HG2 LYS B 56 21.976 10.912 4.028 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.194 9.383 4.376 1.00 0.00 H new ATOM 0 HD2 LYS B 56 23.082 8.492 5.363 1.00 0.00 H new ATOM 0 HD3 LYS B 56 24.155 9.173 4.156 1.00 0.00 H new ATOM 0 HE2 LYS B 56 24.774 10.613 5.843 1.00 0.00 H new ATOM 0 HE3 LYS B 56 23.314 11.479 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 23.373 10.994 7.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 22.081 10.168 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 23.496 9.329 7.472 1.00 0.00 H new ATOM 1971 N TRP B 57 22.145 8.420 -0.079 1.00 0.00 N ATOM 1972 CA TRP B 57 22.452 8.140 -1.519 1.00 0.00 C ATOM 1973 C TRP B 57 21.165 8.018 -2.350 1.00 0.00 C ATOM 1974 O TRP B 57 21.159 8.295 -3.532 1.00 0.00 O ATOM 1975 CB TRP B 57 23.279 6.852 -1.609 1.00 0.00 C ATOM 1976 CG TRP B 57 22.461 5.694 -1.195 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.579 4.994 -0.048 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.499 5.009 -2.002 1.00 0.00 C ATOM 1979 NE1 TRP B 57 21.689 3.932 -0.086 1.00 0.00 N ATOM 1980 CE2 TRP B 57 20.995 3.901 -1.275 1.00 0.00 C ATOM 1981 CE3 TRP B 57 21.010 5.260 -3.295 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 20.024 3.052 -1.832 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 20.061 4.415 -3.869 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.564 3.307 -3.143 1.00 0.00 C ATOM 0 H TRP B 57 22.700 7.884 0.588 1.00 0.00 H new ATOM 0 HA TRP B 57 23.023 8.972 -1.930 1.00 0.00 H new ATOM 0 HB2 TRP B 57 23.635 6.710 -2.629 1.00 0.00 H new ATOM 0 HB3 TRP B 57 24.160 6.931 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP B 57 23.254 5.223 0.764 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.564 3.259 0.670 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.372 6.114 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.635 2.218 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 19.704 4.607 -4.870 1.00 0.00 H new ATOM 0 HH2 TRP B 57 18.831 2.654 -3.593 1.00 0.00 H new ATOM 1995 N VAL B 58 20.079 7.615 -1.755 1.00 0.00 N ATOM 1996 CA VAL B 58 18.808 7.495 -2.545 1.00 0.00 C ATOM 1997 C VAL B 58 18.374 8.869 -3.051 1.00 0.00 C ATOM 1998 O VAL B 58 18.118 9.043 -4.219 1.00 0.00 O ATOM 1999 CB VAL B 58 17.662 6.919 -1.708 1.00 0.00 C ATOM 2000 CG1 VAL B 58 17.633 5.409 -1.857 1.00 0.00 C ATOM 2001 CG2 VAL B 58 17.823 7.283 -0.248 1.00 0.00 C ATOM 0 H VAL B 58 20.008 7.365 -0.769 1.00 0.00 H new ATOM 0 HA VAL B 58 19.016 6.819 -3.375 1.00 0.00 H new ATOM 0 HB VAL B 58 16.725 7.344 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL B 58 16.817 5.000 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL B 58 17.482 5.150 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL B 58 18.579 4.991 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL B 58 16.997 6.862 0.325 1.00 0.00 H new ATOM 0 HG22 VAL B 58 18.765 6.882 0.125 1.00 0.00 H new ATOM 0 HG23 VAL B 58 17.823 8.368 -0.141 1.00 0.00 H new ATOM 2011 N ARG B 59 18.271 9.841 -2.182 1.00 0.00 N ATOM 2012 CA ARG B 59 17.839 11.196 -2.629 1.00 0.00 C ATOM 2013 C ARG B 59 18.908 11.774 -3.554 1.00 0.00 C ATOM 2014 O ARG B 59 18.612 12.399 -4.554 1.00 0.00 O ATOM 2015 CB ARG B 59 17.667 12.109 -1.414 1.00 0.00 C ATOM 2016 CG ARG B 59 16.472 11.638 -0.583 1.00 0.00 C ATOM 2017 CD ARG B 59 15.787 12.846 0.060 1.00 0.00 C ATOM 2018 NE ARG B 59 14.363 12.516 0.343 1.00 0.00 N ATOM 2019 CZ ARG B 59 13.857 12.767 1.520 1.00 0.00 C ATOM 2020 NH1 ARG B 59 14.248 13.817 2.189 1.00 0.00 N ATOM 2021 NH2 ARG B 59 12.959 11.967 2.029 1.00 0.00 N ATOM 0 H ARG B 59 18.467 9.754 -1.185 1.00 0.00 H new ATOM 0 HA ARG B 59 16.889 11.124 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG B 59 18.572 12.097 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG B 59 17.514 13.138 -1.739 1.00 0.00 H new ATOM 0 HG2 ARG B 59 15.766 11.100 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG B 59 16.804 10.942 0.188 1.00 0.00 H new ATOM 0 HD2 ARG B 59 16.299 13.119 0.983 1.00 0.00 H new ATOM 0 HD3 ARG B 59 15.847 13.708 -0.605 1.00 0.00 H new ATOM 0 HE ARG B 59 13.783 12.094 -0.382 1.00 0.00 H new ATOM 0 HH11 ARG B 59 14.949 14.442 1.792 1.00 0.00 H new ATOM 0 HH12 ARG B 59 13.852 14.012 3.109 1.00 0.00 H new ATOM 0 HH21 ARG B 59 12.653 11.146 1.507 1.00 0.00 H new ATOM 0 HH22 ARG B 59 12.564 12.163 2.949 1.00 0.00 H new ATOM 2035 N GLU B 60 20.152 11.548 -3.238 1.00 0.00 N ATOM 2036 CA GLU B 60 21.247 12.060 -4.109 1.00 0.00 C ATOM 2037 C GLU B 60 21.210 11.303 -5.440 1.00 0.00 C ATOM 2038 O GLU B 60 21.819 11.700 -6.414 1.00 0.00 O ATOM 2039 CB GLU B 60 22.597 11.829 -3.427 1.00 0.00 C ATOM 2040 CG GLU B 60 22.859 12.952 -2.423 1.00 0.00 C ATOM 2041 CD GLU B 60 24.366 13.178 -2.288 1.00 0.00 C ATOM 2042 OE1 GLU B 60 25.106 12.224 -2.468 1.00 0.00 O ATOM 2043 OE2 GLU B 60 24.755 14.299 -2.006 1.00 0.00 O ATOM 0 H GLU B 60 20.459 11.031 -2.414 1.00 0.00 H new ATOM 0 HA GLU B 60 21.114 13.128 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU B 60 22.600 10.865 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.392 11.799 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU B 60 22.372 13.869 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU B 60 22.431 12.694 -1.454 1.00 0.00 H new ATOM 2050 N TYR B 61 20.490 10.214 -5.480 1.00 0.00 N ATOM 2051 CA TYR B 61 20.387 9.414 -6.725 1.00 0.00 C ATOM 2052 C TYR B 61 19.108 9.822 -7.461 1.00 0.00 C ATOM 2053 O TYR B 61 18.994 9.677 -8.661 1.00 0.00 O ATOM 2054 CB TYR B 61 20.328 7.930 -6.340 1.00 0.00 C ATOM 2055 CG TYR B 61 21.730 7.384 -6.136 1.00 0.00 C ATOM 2056 CD1 TYR B 61 22.765 8.227 -5.655 1.00 0.00 C ATOM 2057 CD2 TYR B 61 21.991 6.014 -6.360 1.00 0.00 C ATOM 2058 CE1 TYR B 61 24.049 7.698 -5.401 1.00 0.00 C ATOM 2059 CE2 TYR B 61 23.280 5.489 -6.114 1.00 0.00 C ATOM 2060 CZ TYR B 61 24.306 6.329 -5.630 1.00 0.00 C ATOM 2061 OH TYR B 61 25.561 5.813 -5.382 1.00 0.00 O ATOM 0 H TYR B 61 19.963 9.843 -4.689 1.00 0.00 H new ATOM 0 HA TYR B 61 21.245 9.586 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR B 61 19.746 7.807 -5.427 1.00 0.00 H new ATOM 0 HB3 TYR B 61 19.820 7.364 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR B 61 22.570 9.275 -5.483 1.00 0.00 H new ATOM 0 HD2 TYR B 61 21.205 5.367 -6.720 1.00 0.00 H new ATOM 0 HE1 TYR B 61 24.834 8.341 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR B 61 23.480 4.444 -6.297 1.00 0.00 H new ATOM 0 HH TYR B 61 25.568 4.856 -5.591 1.00 0.00 H new ATOM 2071 N ILE B 62 18.149 10.346 -6.742 1.00 0.00 N ATOM 2072 CA ILE B 62 16.880 10.781 -7.386 1.00 0.00 C ATOM 2073 C ILE B 62 17.185 11.929 -8.359 1.00 0.00 C ATOM 2074 O ILE B 62 16.728 11.938 -9.485 1.00 0.00 O ATOM 2075 CB ILE B 62 15.908 11.253 -6.292 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.400 10.042 -5.498 1.00 0.00 C ATOM 2077 CG2 ILE B 62 14.719 11.991 -6.914 1.00 0.00 C ATOM 2078 CD1 ILE B 62 14.517 9.157 -6.384 1.00 0.00 C ATOM 0 H ILE B 62 18.193 10.491 -5.733 1.00 0.00 H new ATOM 0 HA ILE B 62 16.427 9.957 -7.938 1.00 0.00 H new ATOM 0 HB ILE B 62 16.436 11.935 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE B 62 16.245 9.464 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE B 62 14.834 10.379 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE B 62 14.041 12.318 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE B 62 15.078 12.859 -7.467 1.00 0.00 H new ATOM 0 HG23 ILE B 62 14.190 11.322 -7.593 1.00 0.00 H new ATOM 0 HD11 ILE B 62 14.164 8.302 -5.807 1.00 0.00 H new ATOM 0 HD12 ILE B 62 13.663 9.734 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE B 62 15.096 8.805 -7.238 1.00 0.00 H new ATOM 2090 N ASN B 63 17.950 12.895 -7.930 1.00 0.00 N ATOM 2091 CA ASN B 63 18.281 14.039 -8.827 1.00 0.00 C ATOM 2092 C ASN B 63 19.325 13.599 -9.854 1.00 0.00 C ATOM 2093 O ASN B 63 19.281 13.987 -11.005 1.00 0.00 O ATOM 2094 CB ASN B 63 18.840 15.195 -7.995 1.00 0.00 C ATOM 2095 CG ASN B 63 17.733 16.219 -7.732 1.00 0.00 C ATOM 2096 OD1 ASN B 63 16.565 15.914 -7.860 1.00 0.00 O ATOM 2097 ND2 ASN B 63 18.055 17.429 -7.365 1.00 0.00 N ATOM 0 H ASN B 63 18.360 12.942 -6.997 1.00 0.00 H new ATOM 0 HA ASN B 63 17.379 14.366 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN B 63 19.234 14.820 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN B 63 19.669 15.668 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN B 63 17.325 18.119 -7.186 1.00 0.00 H new ATOM 0 HD22 ASN B 63 19.036 17.685 -7.257 1.00 0.00 H new ATOM 2104 N SER B 64 20.266 12.791 -9.448 1.00 0.00 N ATOM 2105 CA SER B 64 21.313 12.327 -10.401 1.00 0.00 C ATOM 2106 C SER B 64 20.648 11.678 -11.617 1.00 0.00 C ATOM 2107 O SER B 64 21.140 11.760 -12.725 1.00 0.00 O ATOM 2108 CB SER B 64 22.216 11.305 -9.709 1.00 0.00 C ATOM 2109 OG SER B 64 23.315 10.995 -10.553 1.00 0.00 O ATOM 0 H SER B 64 20.355 12.432 -8.497 1.00 0.00 H new ATOM 0 HA SER B 64 21.910 13.179 -10.726 1.00 0.00 H new ATOM 0 HB2 SER B 64 22.574 11.704 -8.760 1.00 0.00 H new ATOM 0 HB3 SER B 64 21.652 10.400 -9.482 1.00 0.00 H new ATOM 0 HG SER B 64 23.894 10.341 -10.109 1.00 0.00 H new ATOM 2115 N LEU B 65 19.531 11.032 -11.420 1.00 0.00 N ATOM 2116 CA LEU B 65 18.837 10.378 -12.564 1.00 0.00 C ATOM 2117 C LEU B 65 18.327 11.449 -13.531 1.00 0.00 C ATOM 2118 O LEU B 65 18.624 12.618 -13.390 1.00 0.00 O ATOM 2119 CB LEU B 65 17.656 9.557 -12.042 1.00 0.00 C ATOM 2120 CG LEU B 65 18.170 8.248 -11.441 1.00 0.00 C ATOM 2121 CD1 LEU B 65 17.010 7.496 -10.785 1.00 0.00 C ATOM 2122 CD2 LEU B 65 18.776 7.382 -12.548 1.00 0.00 C ATOM 0 H LEU B 65 19.070 10.929 -10.516 1.00 0.00 H new ATOM 0 HA LEU B 65 19.534 9.721 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU B 65 17.109 10.125 -11.289 1.00 0.00 H new ATOM 0 HB3 LEU B 65 16.958 9.348 -12.853 1.00 0.00 H new ATOM 0 HG LEU B 65 18.931 8.467 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU B 65 17.377 6.563 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU B 65 16.577 8.112 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU B 65 16.249 7.277 -11.534 1.00 0.00 H new ATOM 0 HD21 LEU B 65 19.143 6.449 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU B 65 18.015 7.164 -13.297 1.00 0.00 H new ATOM 0 HD23 LEU B 65 19.603 7.916 -13.016 1.00 0.00 H new