USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-2!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.9!) USER MOD Single : A 1 GLN N :NH3+ -115:sc= 0.0826 (180deg=-0.0459) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.152 X(o=0.15,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.145 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.0321 F(o=-0.64,f=-0.032) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.146 -51.370 11.861 1.00 0.00 N ATOM 2 CA GLN A 1 0.456 -50.051 11.717 1.00 0.00 C ATOM 3 C GLN A 1 0.114 -49.784 10.247 1.00 0.00 C ATOM 4 O GLN A 1 0.464 -50.549 9.369 1.00 0.00 O ATOM 5 CB GLN A 1 1.457 -49.008 12.229 1.00 0.00 C ATOM 6 CG GLN A 1 1.377 -48.920 13.756 1.00 0.00 C ATOM 7 CD GLN A 1 0.252 -47.963 14.160 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.884 -48.142 13.768 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.519 -46.946 14.934 1.00 0.00 N ATOM 0 H1 GLN A 1 0.548 -52.016 12.414 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.317 -51.777 10.919 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.054 -51.235 12.350 1.00 0.00 H new ATOM 0 HA GLN A 1 -0.481 -50.022 12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.468 -49.279 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.241 -48.035 11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.195 -49.909 14.178 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.327 -48.571 14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.472 -46.793 15.265 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.225 -46.304 15.208 1.00 0.00 H new ATOM 20 N VAL A 2 -0.567 -48.700 9.982 1.00 0.00 N ATOM 21 CA VAL A 2 -0.939 -48.364 8.571 1.00 0.00 C ATOM 22 C VAL A 2 0.254 -47.715 7.856 1.00 0.00 C ATOM 23 O VAL A 2 1.048 -47.021 8.463 1.00 0.00 O ATOM 24 CB VAL A 2 -2.109 -47.377 8.684 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.542 -46.927 7.285 1.00 0.00 C ATOM 26 CG2 VAL A 2 -3.292 -48.057 9.381 1.00 0.00 C ATOM 0 H VAL A 2 -0.884 -48.030 10.682 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.215 -49.247 7.994 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.790 -46.511 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.373 -46.226 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.705 -46.439 6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.856 -47.795 6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.121 -47.354 9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.606 -48.925 8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.992 -48.377 10.379 1.00 0.00 H new ATOM 36 N TYR A 3 0.383 -47.938 6.570 1.00 0.00 N ATOM 37 CA TYR A 3 1.523 -47.336 5.810 1.00 0.00 C ATOM 38 C TYR A 3 1.175 -47.211 4.320 1.00 0.00 C ATOM 39 O TYR A 3 0.287 -47.876 3.817 1.00 0.00 O ATOM 40 CB TYR A 3 2.707 -48.295 6.021 1.00 0.00 C ATOM 41 CG TYR A 3 2.428 -49.634 5.370 1.00 0.00 C ATOM 42 CD1 TYR A 3 1.693 -50.609 6.056 1.00 0.00 C ATOM 43 CD2 TYR A 3 2.913 -49.902 4.083 1.00 0.00 C ATOM 44 CE1 TYR A 3 1.442 -51.848 5.456 1.00 0.00 C ATOM 45 CE2 TYR A 3 2.660 -51.142 3.484 1.00 0.00 C ATOM 46 CZ TYR A 3 1.925 -52.114 4.170 1.00 0.00 C ATOM 47 OH TYR A 3 1.678 -53.337 3.580 1.00 0.00 O ATOM 0 H TYR A 3 -0.252 -48.511 6.014 1.00 0.00 H new ATOM 0 HA TYR A 3 1.756 -46.329 6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.614 -47.861 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.885 -48.433 7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.320 -50.405 7.049 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.482 -49.152 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.875 -52.599 5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.033 -51.348 2.491 1.00 0.00 H new ATOM 0 HH TYR A 3 2.082 -53.357 2.687 1.00 0.00 H new ATOM 57 N LYS A 4 1.874 -46.358 3.612 1.00 0.00 N ATOM 58 CA LYS A 4 1.594 -46.180 2.152 1.00 0.00 C ATOM 59 C LYS A 4 2.442 -47.156 1.319 1.00 0.00 C ATOM 60 O LYS A 4 3.455 -46.793 0.749 1.00 0.00 O ATOM 61 CB LYS A 4 1.947 -44.714 1.834 1.00 0.00 C ATOM 62 CG LYS A 4 3.402 -44.410 2.220 1.00 0.00 C ATOM 63 CD LYS A 4 4.075 -43.616 1.096 1.00 0.00 C ATOM 64 CE LYS A 4 5.588 -43.569 1.334 1.00 0.00 C ATOM 65 NZ LYS A 4 6.120 -42.637 0.297 1.00 0.00 N ATOM 0 H LYS A 4 2.627 -45.777 3.982 1.00 0.00 H new ATOM 0 HA LYS A 4 0.553 -46.393 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.800 -44.522 0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.275 -44.047 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.431 -43.841 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.944 -45.339 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.863 -44.079 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.671 -42.604 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.817 -43.213 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.032 -44.560 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.152 -42.556 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.894 -43.005 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.686 -41.700 0.417 1.00 0.00 H new ATOM 79 N GLY A 5 2.027 -48.397 1.247 1.00 0.00 N ATOM 80 CA GLY A 5 2.791 -49.405 0.458 1.00 0.00 C ATOM 81 C GLY A 5 1.844 -50.123 -0.506 1.00 0.00 C ATOM 82 O GLY A 5 1.343 -51.193 -0.214 1.00 0.00 O ATOM 0 H GLY A 5 1.188 -48.754 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.591 -48.917 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.261 -50.126 1.127 1.00 0.00 H new ATOM 86 N GLY A 6 1.595 -49.539 -1.652 1.00 0.00 N ATOM 87 CA GLY A 6 0.681 -50.178 -2.641 1.00 0.00 C ATOM 88 C GLY A 6 -0.753 -49.702 -2.395 1.00 0.00 C ATOM 89 O GLY A 6 -1.282 -48.899 -3.137 1.00 0.00 O ATOM 0 H GLY A 6 1.988 -48.644 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.991 -49.924 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.735 -51.263 -2.554 1.00 0.00 H new ATOM 93 N TYR A 7 -1.385 -50.193 -1.356 1.00 0.00 N ATOM 94 CA TYR A 7 -2.788 -49.774 -1.055 1.00 0.00 C ATOM 95 C TYR A 7 -2.812 -48.822 0.146 1.00 0.00 C ATOM 96 O TYR A 7 -2.419 -49.182 1.239 1.00 0.00 O ATOM 97 CB TYR A 7 -3.532 -51.073 -0.724 1.00 0.00 C ATOM 98 CG TYR A 7 -3.708 -51.896 -1.981 1.00 0.00 C ATOM 99 CD1 TYR A 7 -4.747 -51.601 -2.872 1.00 0.00 C ATOM 100 CD2 TYR A 7 -2.833 -52.955 -2.252 1.00 0.00 C ATOM 101 CE1 TYR A 7 -4.909 -52.363 -4.034 1.00 0.00 C ATOM 102 CE2 TYR A 7 -2.995 -53.717 -3.415 1.00 0.00 C ATOM 103 CZ TYR A 7 -4.034 -53.421 -4.305 1.00 0.00 C ATOM 104 OH TYR A 7 -4.194 -54.172 -5.452 1.00 0.00 O ATOM 0 H TYR A 7 -0.987 -50.868 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.246 -49.244 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.975 -51.643 0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.505 -50.845 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.423 -50.785 -2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.033 -53.184 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.710 -52.135 -4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.319 -54.533 -3.625 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.503 -54.866 -5.488 1.00 0.00 H new ATOM 114 N ALA A 8 -3.272 -47.610 -0.048 1.00 0.00 N ATOM 115 CA ALA A 8 -3.323 -46.633 1.082 1.00 0.00 C ATOM 116 C ALA A 8 -4.536 -45.702 0.931 1.00 0.00 C ATOM 117 O ALA A 8 -4.395 -44.502 0.775 1.00 0.00 O ATOM 118 CB ALA A 8 -2.014 -45.844 0.983 1.00 0.00 C ATOM 0 H ALA A 8 -3.614 -47.256 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.428 -47.125 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.975 -45.103 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.170 -46.527 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.965 -45.340 0.018 1.00 0.00 H new ATOM 124 N ARG A 9 -5.727 -46.249 0.977 1.00 0.00 N ATOM 125 CA ARG A 9 -6.950 -45.409 0.837 1.00 0.00 C ATOM 126 C ARG A 9 -7.903 -45.654 2.020 1.00 0.00 C ATOM 127 O ARG A 9 -8.879 -46.369 1.891 1.00 0.00 O ATOM 128 CB ARG A 9 -7.585 -45.869 -0.478 1.00 0.00 C ATOM 129 CG ARG A 9 -7.205 -44.900 -1.602 1.00 0.00 C ATOM 130 CD ARG A 9 -6.188 -45.568 -2.534 1.00 0.00 C ATOM 131 NE ARG A 9 -7.006 -46.374 -3.486 1.00 0.00 N ATOM 132 CZ ARG A 9 -6.773 -47.652 -3.634 1.00 0.00 C ATOM 133 NH1 ARG A 9 -5.869 -48.055 -4.488 1.00 0.00 N ATOM 134 NH2 ARG A 9 -7.444 -48.523 -2.926 1.00 0.00 N ATOM 0 H ARG A 9 -5.901 -47.246 1.106 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.727 -44.342 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.247 -46.876 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.669 -45.913 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.094 -44.612 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.783 -43.987 -1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.588 -44.825 -3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.497 -46.199 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.749 -45.927 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.347 -47.373 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.686 -49.052 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.148 -48.205 -2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.264 -49.520 -3.040 1.00 0.00 H new ATOM 148 N PRO A 10 -7.581 -45.049 3.141 1.00 0.00 N ATOM 149 CA PRO A 10 -8.419 -45.206 4.359 1.00 0.00 C ATOM 150 C PRO A 10 -9.732 -44.426 4.210 1.00 0.00 C ATOM 151 O PRO A 10 -9.729 -43.219 4.055 1.00 0.00 O ATOM 152 CB PRO A 10 -7.552 -44.616 5.470 1.00 0.00 C ATOM 153 CG PRO A 10 -6.633 -43.658 4.779 1.00 0.00 C ATOM 154 CD PRO A 10 -6.426 -44.172 3.378 1.00 0.00 C ATOM 0 HA PRO A 10 -8.704 -46.240 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.161 -44.108 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.993 -45.394 5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.063 -42.657 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.682 -43.588 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.391 -43.356 2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.487 -44.718 3.289 1.00 0.00 H new ATOM 162 N ILE A 11 -10.850 -45.116 4.251 1.00 0.00 N ATOM 163 CA ILE A 11 -12.184 -44.441 4.109 1.00 0.00 C ATOM 164 C ILE A 11 -12.237 -43.640 2.794 1.00 0.00 C ATOM 165 O ILE A 11 -12.050 -42.438 2.790 1.00 0.00 O ATOM 166 CB ILE A 11 -12.317 -43.511 5.329 1.00 0.00 C ATOM 167 CG1 ILE A 11 -12.099 -44.309 6.626 1.00 0.00 C ATOM 168 CG2 ILE A 11 -13.714 -42.882 5.351 1.00 0.00 C ATOM 169 CD1 ILE A 11 -13.102 -45.464 6.709 1.00 0.00 C ATOM 0 H ILE A 11 -10.896 -46.127 4.378 1.00 0.00 H new ATOM 0 HA ILE A 11 -13.002 -45.160 4.073 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.564 -42.726 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.081 -44.698 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.215 -43.654 7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.804 -42.225 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.868 -42.305 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.466 -43.668 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.939 -46.022 7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.117 -45.066 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.965 -46.127 5.855 1.00 0.00 H new ATOM 181 N PRO A 12 -12.490 -44.345 1.712 1.00 0.00 N ATOM 182 CA PRO A 12 -12.564 -43.695 0.375 1.00 0.00 C ATOM 183 C PRO A 12 -13.845 -42.856 0.246 1.00 0.00 C ATOM 184 O PRO A 12 -14.810 -43.263 -0.377 1.00 0.00 O ATOM 185 CB PRO A 12 -12.575 -44.876 -0.596 1.00 0.00 C ATOM 186 CG PRO A 12 -13.113 -46.025 0.195 1.00 0.00 C ATOM 187 CD PRO A 12 -12.726 -45.793 1.633 1.00 0.00 C ATOM 0 HA PRO A 12 -11.741 -43.005 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.201 -44.667 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.573 -45.089 -0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.196 -46.089 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.703 -46.968 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.518 -46.106 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.833 -46.358 1.901 1.00 0.00 H new ATOM 195 N ARG A 13 -13.857 -41.683 0.831 1.00 0.00 N ATOM 196 CA ARG A 13 -15.062 -40.804 0.749 1.00 0.00 C ATOM 197 C ARG A 13 -14.648 -39.332 0.903 1.00 0.00 C ATOM 198 O ARG A 13 -14.798 -38.751 1.963 1.00 0.00 O ATOM 199 CB ARG A 13 -15.963 -41.249 1.909 1.00 0.00 C ATOM 200 CG ARG A 13 -17.424 -41.263 1.450 1.00 0.00 C ATOM 201 CD ARG A 13 -18.170 -40.070 2.061 1.00 0.00 C ATOM 202 NE ARG A 13 -18.065 -38.976 1.050 1.00 0.00 N ATOM 203 CZ ARG A 13 -18.737 -39.047 -0.072 1.00 0.00 C ATOM 204 NH1 ARG A 13 -20.042 -39.147 -0.051 1.00 0.00 N ATOM 205 NH2 ARG A 13 -18.098 -39.018 -1.213 1.00 0.00 N ATOM 0 H ARG A 13 -13.079 -41.296 1.364 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.576 -40.887 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.669 -42.242 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.844 -40.572 2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -17.474 -41.217 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.901 -42.196 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.212 -40.320 2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.724 -39.772 3.010 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.467 -38.170 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -20.537 -39.170 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -20.563 -39.202 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.081 -38.940 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.617 -39.073 -2.090 1.00 0.00 H new ATOM 219 N PRO A 14 -14.132 -38.776 -0.168 1.00 0.00 N ATOM 220 CA PRO A 14 -13.683 -37.358 -0.154 1.00 0.00 C ATOM 221 C PRO A 14 -14.884 -36.400 -0.131 1.00 0.00 C ATOM 222 O PRO A 14 -15.925 -36.697 -0.690 1.00 0.00 O ATOM 223 CB PRO A 14 -12.901 -37.217 -1.457 1.00 0.00 C ATOM 224 CG PRO A 14 -13.453 -38.275 -2.359 1.00 0.00 C ATOM 225 CD PRO A 14 -13.920 -39.406 -1.480 1.00 0.00 C ATOM 0 HA PRO A 14 -13.090 -37.111 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.030 -36.224 -1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.833 -37.357 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.278 -37.883 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.692 -38.620 -3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.838 -39.854 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.177 -40.201 -1.425 1.00 0.00 H new ATOM 233 N PRO A 15 -14.693 -35.273 0.519 1.00 0.00 N ATOM 234 CA PRO A 15 -15.769 -34.252 0.615 1.00 0.00 C ATOM 235 C PRO A 15 -15.929 -33.507 -0.720 1.00 0.00 C ATOM 236 O PRO A 15 -14.964 -33.322 -1.442 1.00 0.00 O ATOM 237 CB PRO A 15 -15.270 -33.306 1.703 1.00 0.00 C ATOM 238 CG PRO A 15 -13.781 -33.456 1.699 1.00 0.00 C ATOM 239 CD PRO A 15 -13.472 -34.851 1.220 1.00 0.00 C ATOM 0 HA PRO A 15 -16.744 -34.682 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -15.563 -32.277 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.690 -33.567 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.322 -32.715 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.376 -33.294 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.608 -34.861 0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.241 -35.516 2.053 1.00 0.00 H new ATOM 247 N PRO A 16 -17.145 -33.097 -1.003 1.00 0.00 N ATOM 248 CA PRO A 16 -17.430 -32.359 -2.261 1.00 0.00 C ATOM 249 C PRO A 16 -16.899 -30.919 -2.171 1.00 0.00 C ATOM 250 O PRO A 16 -17.656 -29.971 -2.059 1.00 0.00 O ATOM 251 CB PRO A 16 -18.955 -32.382 -2.351 1.00 0.00 C ATOM 252 CG PRO A 16 -19.427 -32.539 -0.940 1.00 0.00 C ATOM 253 CD PRO A 16 -18.354 -33.284 -0.188 1.00 0.00 C ATOM 0 HA PRO A 16 -16.953 -32.799 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.338 -31.463 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.301 -33.205 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.609 -31.565 -0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.369 -33.087 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.222 -32.884 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.603 -34.340 -0.081 1.00 0.00 H new ATOM 261 N PHE A 17 -15.599 -30.752 -2.214 1.00 0.00 N ATOM 262 CA PHE A 17 -15.008 -29.384 -2.128 1.00 0.00 C ATOM 263 C PHE A 17 -13.645 -29.347 -2.824 1.00 0.00 C ATOM 264 O PHE A 17 -12.938 -30.336 -2.892 1.00 0.00 O ATOM 265 CB PHE A 17 -14.857 -29.104 -0.631 1.00 0.00 C ATOM 266 CG PHE A 17 -14.681 -27.620 -0.404 1.00 0.00 C ATOM 267 CD1 PHE A 17 -15.774 -26.754 -0.543 1.00 0.00 C ATOM 268 CD2 PHE A 17 -13.426 -27.110 -0.051 1.00 0.00 C ATOM 269 CE1 PHE A 17 -15.610 -25.380 -0.330 1.00 0.00 C ATOM 270 CE2 PHE A 17 -13.263 -25.736 0.162 1.00 0.00 C ATOM 271 CZ PHE A 17 -14.355 -24.871 0.022 1.00 0.00 C ATOM 0 H PHE A 17 -14.921 -31.509 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.632 -28.637 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.736 -29.462 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.999 -29.646 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.743 -27.147 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.583 -27.777 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.452 -24.713 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.295 -25.343 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.229 -23.811 0.186 1.00 0.00 H new ATOM 281 N VAL A 18 -13.277 -28.207 -3.341 1.00 0.00 N ATOM 282 CA VAL A 18 -11.962 -28.082 -4.042 1.00 0.00 C ATOM 283 C VAL A 18 -10.849 -27.764 -3.035 1.00 0.00 C ATOM 284 O VAL A 18 -11.062 -27.066 -2.061 1.00 0.00 O ATOM 285 CB VAL A 18 -12.140 -26.927 -5.037 1.00 0.00 C ATOM 286 CG1 VAL A 18 -10.853 -26.740 -5.847 1.00 0.00 C ATOM 287 CG2 VAL A 18 -13.295 -27.242 -5.993 1.00 0.00 C ATOM 0 H VAL A 18 -13.831 -27.351 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.677 -29.006 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.361 -26.013 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.983 -25.919 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.028 -26.511 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.631 -27.656 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.418 -26.420 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.075 -28.159 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.215 -27.372 -5.422 1.00 0.00 H new ATOM 297 N ARG A 19 -9.664 -28.268 -3.273 1.00 0.00 N ATOM 298 CA ARG A 19 -8.526 -28.000 -2.343 1.00 0.00 C ATOM 299 C ARG A 19 -7.595 -26.937 -2.943 1.00 0.00 C ATOM 300 O ARG A 19 -6.866 -27.213 -3.878 1.00 0.00 O ATOM 301 CB ARG A 19 -7.800 -29.342 -2.205 1.00 0.00 C ATOM 302 CG ARG A 19 -6.761 -29.257 -1.082 1.00 0.00 C ATOM 303 CD ARG A 19 -7.236 -30.074 0.124 1.00 0.00 C ATOM 304 NE ARG A 19 -6.958 -31.495 -0.235 1.00 0.00 N ATOM 305 CZ ARG A 19 -7.946 -32.320 -0.464 1.00 0.00 C ATOM 306 NH1 ARG A 19 -8.819 -32.568 0.476 1.00 0.00 N ATOM 307 NH2 ARG A 19 -8.059 -32.895 -1.633 1.00 0.00 N ATOM 0 H ARG A 19 -9.436 -28.856 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.859 -27.620 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.518 -30.134 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.313 -29.601 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.800 -29.634 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.609 -28.217 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.704 -29.785 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.298 -29.916 0.314 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.995 -31.824 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.729 -32.118 1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.590 -33.211 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.377 -32.700 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.830 -33.539 -1.812 1.00 0.00 H new ATOM 321 N PRO A 20 -7.649 -25.747 -2.385 1.00 0.00 N ATOM 322 CA PRO A 20 -6.796 -24.633 -2.876 1.00 0.00 C ATOM 323 C PRO A 20 -5.331 -24.846 -2.468 1.00 0.00 C ATOM 324 O PRO A 20 -4.994 -25.806 -1.798 1.00 0.00 O ATOM 325 CB PRO A 20 -7.378 -23.403 -2.183 1.00 0.00 C ATOM 326 CG PRO A 20 -8.043 -23.929 -0.952 1.00 0.00 C ATOM 327 CD PRO A 20 -8.499 -25.330 -1.261 1.00 0.00 C ATOM 0 HA PRO A 20 -6.795 -24.547 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.597 -22.685 -1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.091 -22.888 -2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.352 -23.926 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.889 -23.301 -0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.373 -25.988 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.555 -25.355 -1.530 1.00 0.00 H new ATOM 335 N LEU A 21 -4.463 -23.954 -2.868 1.00 0.00 N ATOM 336 CA LEU A 21 -3.017 -24.090 -2.511 1.00 0.00 C ATOM 337 C LEU A 21 -2.489 -22.771 -1.926 1.00 0.00 C ATOM 338 O LEU A 21 -2.179 -21.851 -2.659 1.00 0.00 O ATOM 339 CB LEU A 21 -2.311 -24.417 -3.831 1.00 0.00 C ATOM 340 CG LEU A 21 -1.944 -25.904 -3.863 1.00 0.00 C ATOM 341 CD1 LEU A 21 -2.011 -26.415 -5.303 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.524 -26.091 -3.322 1.00 0.00 C ATOM 0 H LEU A 21 -4.693 -23.134 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.847 -24.860 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.960 -24.174 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.413 -23.808 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.646 -26.464 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.750 -27.473 -5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.021 -26.282 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.309 -25.855 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.262 -27.149 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.178 -25.530 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.475 -25.727 -2.296 1.00 0.00 H new ATOM 354 N PRO A 22 -2.410 -22.721 -0.615 1.00 0.00 N ATOM 355 CA PRO A 22 -1.916 -21.501 0.073 1.00 0.00 C ATOM 356 C PRO A 22 -0.390 -21.384 -0.058 1.00 0.00 C ATOM 357 O PRO A 22 0.357 -21.926 0.737 1.00 0.00 O ATOM 358 CB PRO A 22 -2.330 -21.717 1.527 1.00 0.00 C ATOM 359 CG PRO A 22 -2.440 -23.201 1.690 1.00 0.00 C ATOM 360 CD PRO A 22 -2.769 -23.783 0.337 1.00 0.00 C ATOM 0 HA PRO A 22 -2.321 -20.580 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.592 -21.300 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.279 -21.226 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.506 -23.615 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.216 -23.451 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.202 -24.694 0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.825 -24.043 0.262 1.00 0.00 H new ATOM 368 N GLY A 23 0.074 -20.680 -1.059 1.00 0.00 N ATOM 369 CA GLY A 23 1.547 -20.521 -1.253 1.00 0.00 C ATOM 370 C GLY A 23 1.814 -19.360 -2.211 1.00 0.00 C ATOM 371 O GLY A 23 2.096 -19.560 -3.377 1.00 0.00 O ATOM 0 H GLY A 23 -0.506 -20.207 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.032 -20.335 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.973 -21.441 -1.653 1.00 0.00 H new ATOM 375 N GLY A 24 1.721 -18.144 -1.729 1.00 0.00 N ATOM 376 CA GLY A 24 1.962 -16.962 -2.610 1.00 0.00 C ATOM 377 C GLY A 24 0.677 -16.628 -3.373 1.00 0.00 C ATOM 378 O GLY A 24 0.479 -17.093 -4.479 1.00 0.00 O ATOM 0 H GLY A 24 1.488 -17.921 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.276 -16.107 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.769 -17.175 -3.311 1.00 0.00 H new ATOM 382 N PRO A 25 -0.165 -15.833 -2.753 1.00 0.00 N ATOM 383 CA PRO A 25 -1.450 -15.437 -3.386 1.00 0.00 C ATOM 384 C PRO A 25 -1.213 -14.414 -4.506 1.00 0.00 C ATOM 385 O PRO A 25 -0.334 -13.576 -4.419 1.00 0.00 O ATOM 386 CB PRO A 25 -2.237 -14.812 -2.238 1.00 0.00 C ATOM 387 CG PRO A 25 -1.203 -14.337 -1.267 1.00 0.00 C ATOM 388 CD PRO A 25 0.000 -15.234 -1.420 1.00 0.00 C ATOM 0 HA PRO A 25 -1.971 -16.275 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.857 -13.987 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.906 -15.539 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.936 -13.299 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.586 -14.378 -0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.930 -14.669 -1.349 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.030 -15.996 -0.642 1.00 0.00 H new ATOM 396 N ILE A 26 -1.995 -14.479 -5.557 1.00 0.00 N ATOM 397 CA ILE A 26 -1.827 -13.514 -6.687 1.00 0.00 C ATOM 398 C ILE A 26 -3.169 -12.845 -7.011 1.00 0.00 C ATOM 399 O ILE A 26 -4.218 -13.454 -6.909 1.00 0.00 O ATOM 400 CB ILE A 26 -1.342 -14.358 -7.874 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.032 -14.957 -7.555 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.229 -13.479 -9.124 1.00 0.00 C ATOM 403 CD1 ILE A 26 0.280 -16.177 -8.445 1.00 0.00 C ATOM 0 H ILE A 26 -2.744 -15.161 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.123 -12.718 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.058 -15.160 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.811 -14.212 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.079 -15.245 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.884 -14.083 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.205 -13.054 -9.359 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.517 -12.674 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.258 -16.601 -8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.492 -16.924 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.251 -15.875 -9.492 1.00 0.00 H new ATOM 415 N GLY A 27 -3.141 -11.597 -7.404 1.00 0.00 N ATOM 416 CA GLY A 27 -4.410 -10.882 -7.741 1.00 0.00 C ATOM 417 C GLY A 27 -4.968 -10.198 -6.489 1.00 0.00 C ATOM 418 O GLY A 27 -5.774 -10.772 -5.780 1.00 0.00 O ATOM 0 H GLY A 27 -2.292 -11.041 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.225 -10.142 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.141 -11.587 -8.138 1.00 0.00 H new ATOM 422 N PRO A 28 -4.523 -8.983 -6.257 1.00 0.00 N ATOM 423 CA PRO A 28 -4.986 -8.207 -5.075 1.00 0.00 C ATOM 424 C PRO A 28 -6.439 -7.741 -5.257 1.00 0.00 C ATOM 425 O PRO A 28 -7.187 -7.641 -4.303 1.00 0.00 O ATOM 426 CB PRO A 28 -4.030 -7.017 -5.029 1.00 0.00 C ATOM 427 CG PRO A 28 -3.539 -6.858 -6.433 1.00 0.00 C ATOM 428 CD PRO A 28 -3.556 -8.225 -7.066 1.00 0.00 C ATOM 0 HA PRO A 28 -4.977 -8.792 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.538 -6.116 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.205 -7.201 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.176 -6.169 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.532 -6.441 -6.444 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.862 -8.177 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.569 -8.687 -7.044 1.00 0.00 H new ATOM 436 N TYR A 29 -6.842 -7.456 -6.473 1.00 0.00 N ATOM 437 CA TYR A 29 -8.244 -6.997 -6.717 1.00 0.00 C ATOM 438 C TYR A 29 -9.210 -8.190 -6.654 1.00 0.00 C ATOM 439 O TYR A 29 -9.758 -8.614 -7.654 1.00 0.00 O ATOM 440 CB TYR A 29 -8.220 -6.383 -8.120 1.00 0.00 C ATOM 441 CG TYR A 29 -9.454 -5.539 -8.336 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.515 -4.238 -7.820 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.534 -6.054 -9.062 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.654 -3.454 -8.029 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.674 -5.271 -9.270 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.736 -3.970 -8.753 1.00 0.00 C ATOM 447 OH TYR A 29 -12.860 -3.197 -8.957 1.00 0.00 O ATOM 0 H TYR A 29 -6.258 -7.522 -7.307 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.585 -6.280 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.326 -5.772 -8.243 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.173 -7.172 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.682 -3.840 -7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.487 -7.056 -9.462 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.699 -2.451 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.507 -5.669 -9.830 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.516 -3.705 -9.479 1.00 0.00 H new ATOM 457 N ASN A 30 -9.413 -8.737 -5.481 1.00 0.00 N ATOM 458 CA ASN A 30 -10.335 -9.903 -5.339 1.00 0.00 C ATOM 459 C ASN A 30 -10.995 -9.910 -3.949 1.00 0.00 C ATOM 460 O ASN A 30 -11.214 -10.953 -3.362 1.00 0.00 O ATOM 461 CB ASN A 30 -9.443 -11.137 -5.525 1.00 0.00 C ATOM 462 CG ASN A 30 -9.896 -11.916 -6.762 1.00 0.00 C ATOM 463 OD1 ASN A 30 -10.545 -12.937 -6.646 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.583 -11.478 -7.951 1.00 0.00 N ATOM 0 H ASN A 30 -8.978 -8.424 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.148 -9.873 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.402 -10.833 -5.635 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.497 -11.774 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.883 -11.992 -8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.038 -10.621 -8.052 1.00 0.00 H new ATOM 471 N GLY A 31 -11.315 -8.754 -3.424 1.00 0.00 N ATOM 472 CA GLY A 31 -11.963 -8.691 -2.079 1.00 0.00 C ATOM 473 C GLY A 31 -12.729 -7.372 -1.930 1.00 0.00 C ATOM 474 O GLY A 31 -12.668 -6.725 -0.901 1.00 0.00 O ATOM 0 H GLY A 31 -11.155 -7.850 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.644 -9.533 -1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.208 -8.773 -1.298 1.00 0.00 H new ATOM 478 N CYS A 32 -13.452 -6.973 -2.953 1.00 0.00 N ATOM 479 CA CYS A 32 -14.233 -5.698 -2.893 1.00 0.00 C ATOM 480 C CYS A 32 -15.031 -5.514 -4.193 1.00 0.00 C ATOM 481 O CYS A 32 -14.551 -4.898 -5.128 1.00 0.00 O ATOM 482 CB CYS A 32 -13.194 -4.580 -2.751 1.00 0.00 C ATOM 483 SG CYS A 32 -14.046 -2.989 -2.627 1.00 0.00 S ATOM 0 H CYS A 32 -13.533 -7.482 -3.833 1.00 0.00 H new ATOM 0 HA CYS A 32 -14.942 -5.695 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.581 -4.748 -1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.522 -4.580 -3.609 1.00 0.00 H new ATOM 488 N PRO A 33 -16.226 -6.056 -4.213 1.00 0.00 N ATOM 489 CA PRO A 33 -17.096 -5.940 -5.417 1.00 0.00 C ATOM 490 C PRO A 33 -17.554 -4.487 -5.618 1.00 0.00 C ATOM 491 O PRO A 33 -17.811 -3.771 -4.669 1.00 0.00 O ATOM 492 CB PRO A 33 -18.277 -6.855 -5.092 1.00 0.00 C ATOM 493 CG PRO A 33 -18.308 -6.922 -3.600 1.00 0.00 C ATOM 494 CD PRO A 33 -16.878 -6.819 -3.139 1.00 0.00 C ATOM 0 HA PRO A 33 -16.591 -6.220 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.209 -6.454 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.143 -7.844 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.908 -6.111 -3.187 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.758 -7.856 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.801 -6.307 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.425 -7.802 -3.013 1.00 0.00 H new ATOM 502 N VAL A 34 -17.652 -4.049 -6.849 1.00 0.00 N ATOM 503 CA VAL A 34 -18.090 -2.640 -7.122 1.00 0.00 C ATOM 504 C VAL A 34 -19.553 -2.433 -6.692 1.00 0.00 C ATOM 505 O VAL A 34 -19.944 -1.343 -6.317 1.00 0.00 O ATOM 506 CB VAL A 34 -17.936 -2.454 -8.639 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.452 -1.071 -9.047 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.458 -2.570 -9.025 1.00 0.00 C ATOM 0 H VAL A 34 -17.448 -4.605 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.498 -1.915 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.512 -3.225 -9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.340 -0.944 -10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.505 -0.981 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.879 -0.302 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.352 -2.438 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.885 -1.801 -8.507 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.084 -3.554 -8.742 1.00 0.00 H new ATOM 518 N SER A 35 -20.359 -3.468 -6.741 1.00 0.00 N ATOM 519 CA SER A 35 -21.795 -3.334 -6.333 1.00 0.00 C ATOM 520 C SER A 35 -21.920 -3.090 -4.819 1.00 0.00 C ATOM 521 O SER A 35 -22.941 -2.622 -4.350 1.00 0.00 O ATOM 522 CB SER A 35 -22.447 -4.666 -6.714 1.00 0.00 C ATOM 523 OG SER A 35 -23.862 -4.512 -6.729 1.00 0.00 O ATOM 0 H SER A 35 -20.084 -4.401 -7.047 1.00 0.00 H new ATOM 0 HA SER A 35 -22.273 -2.486 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.095 -4.989 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.162 -5.440 -6.002 1.00 0.00 H new ATOM 0 HG SER A 35 -24.281 -5.363 -6.974 1.00 0.00 H new ATOM 529 N CYS A 36 -20.895 -3.410 -4.055 1.00 0.00 N ATOM 530 CA CYS A 36 -20.947 -3.209 -2.568 1.00 0.00 C ATOM 531 C CYS A 36 -22.085 -4.037 -1.949 1.00 0.00 C ATOM 532 O CYS A 36 -22.661 -3.662 -0.943 1.00 0.00 O ATOM 533 CB CYS A 36 -21.191 -1.711 -2.351 1.00 0.00 C ATOM 534 SG CYS A 36 -19.986 -0.744 -3.297 1.00 0.00 S ATOM 0 H CYS A 36 -20.020 -3.804 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.023 -3.535 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.203 -1.450 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.111 -1.471 -1.291 1.00 0.00 H new ATOM 539 N ARG A 37 -22.411 -5.160 -2.541 1.00 0.00 N ATOM 540 CA ARG A 37 -23.508 -6.012 -1.989 1.00 0.00 C ATOM 541 C ARG A 37 -22.928 -7.272 -1.336 1.00 0.00 C ATOM 542 O ARG A 37 -21.927 -7.807 -1.777 1.00 0.00 O ATOM 543 CB ARG A 37 -24.381 -6.388 -3.192 1.00 0.00 C ATOM 544 CG ARG A 37 -24.975 -5.123 -3.826 1.00 0.00 C ATOM 545 CD ARG A 37 -25.949 -4.457 -2.846 1.00 0.00 C ATOM 546 NE ARG A 37 -27.266 -4.459 -3.544 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.054 -5.498 -3.455 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.649 -5.771 -2.323 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.244 -6.262 -4.499 1.00 0.00 N ATOM 0 H ARG A 37 -21.964 -5.523 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.080 -5.489 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -23.786 -6.929 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.182 -7.057 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -24.177 -4.428 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.493 -5.378 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.000 -5.007 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -25.633 -3.442 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.553 -3.648 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.498 -5.173 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.264 -6.582 -2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -27.778 -6.047 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -28.858 -7.073 -4.432 1.00 0.00 H new ATOM 563 N GLY A 38 -23.554 -7.750 -0.290 1.00 0.00 N ATOM 564 CA GLY A 38 -23.051 -8.979 0.398 1.00 0.00 C ATOM 565 C GLY A 38 -21.845 -8.644 1.288 1.00 0.00 C ATOM 566 O GLY A 38 -20.990 -9.479 1.514 1.00 0.00 O ATOM 0 H GLY A 38 -24.394 -7.341 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.846 -9.415 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.767 -9.727 -0.343 1.00 0.00 H new ATOM 570 N ILE A 39 -21.772 -7.439 1.804 1.00 0.00 N ATOM 571 CA ILE A 39 -20.624 -7.066 2.689 1.00 0.00 C ATOM 572 C ILE A 39 -21.120 -6.264 3.893 1.00 0.00 C ATOM 573 O ILE A 39 -22.220 -5.740 3.896 1.00 0.00 O ATOM 574 CB ILE A 39 -19.673 -6.214 1.833 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.362 -4.906 1.423 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.262 -6.994 0.580 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.401 -4.065 0.579 1.00 0.00 C ATOM 0 H ILE A 39 -22.457 -6.699 1.650 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.119 -7.952 3.074 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.785 -5.980 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.267 -5.122 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.666 -4.350 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.588 -6.385 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.756 -7.914 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.149 -7.239 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.891 -3.136 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.508 -3.838 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.119 -4.622 -0.314 1.00 0.00 H new ATOM 589 N SER A 40 -20.310 -6.159 4.912 1.00 0.00 N ATOM 590 CA SER A 40 -20.716 -5.385 6.118 1.00 0.00 C ATOM 591 C SER A 40 -20.504 -3.889 5.878 1.00 0.00 C ATOM 592 O SER A 40 -19.836 -3.488 4.943 1.00 0.00 O ATOM 593 CB SER A 40 -19.804 -5.883 7.241 1.00 0.00 C ATOM 594 OG SER A 40 -19.901 -5.010 8.360 1.00 0.00 O ATOM 0 H SER A 40 -19.381 -6.578 4.960 1.00 0.00 H new ATOM 0 HA SER A 40 -21.769 -5.524 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.088 -6.895 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.773 -5.929 6.892 1.00 0.00 H new ATOM 0 HG SER A 40 -19.317 -5.332 9.078 1.00 0.00 H new ATOM 600 N PHE A 41 -21.059 -3.068 6.728 1.00 0.00 N ATOM 601 CA PHE A 41 -20.888 -1.591 6.576 1.00 0.00 C ATOM 602 C PHE A 41 -19.406 -1.234 6.714 1.00 0.00 C ATOM 603 O PHE A 41 -18.847 -0.536 5.891 1.00 0.00 O ATOM 604 CB PHE A 41 -21.705 -0.969 7.715 1.00 0.00 C ATOM 605 CG PHE A 41 -21.587 0.538 7.667 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.226 1.264 6.654 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.835 1.209 8.640 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.114 2.658 6.615 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.723 2.603 8.601 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.361 3.328 7.587 1.00 0.00 C ATOM 0 H PHE A 41 -21.626 -3.356 7.525 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.222 -1.228 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.751 -1.264 7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.348 -1.340 8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.805 0.748 5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.341 0.650 9.421 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.609 3.218 5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.145 3.120 9.353 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.272 4.404 7.555 1.00 0.00 H new ATOM 620 N SER A 42 -18.767 -1.727 7.747 1.00 0.00 N ATOM 621 CA SER A 42 -17.315 -1.438 7.942 1.00 0.00 C ATOM 622 C SER A 42 -16.503 -2.034 6.788 1.00 0.00 C ATOM 623 O SER A 42 -15.527 -1.458 6.353 1.00 0.00 O ATOM 624 CB SER A 42 -16.938 -2.111 9.263 1.00 0.00 C ATOM 625 OG SER A 42 -15.795 -1.462 9.809 1.00 0.00 O ATOM 0 H SER A 42 -19.190 -2.317 8.463 1.00 0.00 H new ATOM 0 HA SER A 42 -17.110 -0.368 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.771 -2.057 9.964 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.728 -3.168 9.099 1.00 0.00 H new ATOM 0 HG SER A 42 -15.550 -1.889 10.657 1.00 0.00 H new ATOM 631 N GLN A 43 -16.909 -3.175 6.279 1.00 0.00 N ATOM 632 CA GLN A 43 -16.165 -3.796 5.143 1.00 0.00 C ATOM 633 C GLN A 43 -16.264 -2.895 3.909 1.00 0.00 C ATOM 634 O GLN A 43 -15.286 -2.661 3.221 1.00 0.00 O ATOM 635 CB GLN A 43 -16.854 -5.139 4.889 1.00 0.00 C ATOM 636 CG GLN A 43 -15.840 -6.139 4.331 1.00 0.00 C ATOM 637 CD GLN A 43 -16.573 -7.401 3.869 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.844 -7.560 2.603 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 -16.906 -8.251 4.671 1.00 0.00 N flip ATOM 0 H GLN A 43 -17.722 -3.699 6.603 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.106 -3.929 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.283 -5.520 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.677 -5.010 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.296 -5.695 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.104 -6.391 5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.695 -8.128 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.397 -9.087 4.354 1.00 0.00 H new ATOM 648 N ALA A 44 -17.437 -2.371 3.637 1.00 0.00 N ATOM 649 CA ALA A 44 -17.603 -1.464 2.461 1.00 0.00 C ATOM 650 C ALA A 44 -16.900 -0.131 2.740 1.00 0.00 C ATOM 651 O ALA A 44 -16.304 0.463 1.859 1.00 0.00 O ATOM 652 CB ALA A 44 -19.115 -1.266 2.318 1.00 0.00 C ATOM 0 H ALA A 44 -18.285 -2.534 4.180 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.168 -1.872 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.318 -0.609 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.594 -2.231 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.511 -0.817 3.229 1.00 0.00 H new ATOM 658 N ARG A 45 -16.951 0.326 3.968 1.00 0.00 N ATOM 659 CA ARG A 45 -16.272 1.605 4.329 1.00 0.00 C ATOM 660 C ARG A 45 -14.750 1.423 4.250 1.00 0.00 C ATOM 661 O ARG A 45 -14.024 2.336 3.905 1.00 0.00 O ATOM 662 CB ARG A 45 -16.704 1.897 5.770 1.00 0.00 C ATOM 663 CG ARG A 45 -16.552 3.394 6.056 1.00 0.00 C ATOM 664 CD ARG A 45 -17.635 3.841 7.043 1.00 0.00 C ATOM 665 NE ARG A 45 -17.869 5.281 6.735 1.00 0.00 N ATOM 666 CZ ARG A 45 -17.160 6.203 7.333 1.00 0.00 C ATOM 667 NH1 ARG A 45 -15.967 6.499 6.886 1.00 0.00 N ATOM 668 NH2 ARG A 45 -17.645 6.826 8.375 1.00 0.00 N ATOM 0 H ARG A 45 -17.436 -0.136 4.737 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.537 2.421 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.739 1.591 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.097 1.319 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.564 3.597 6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.634 3.962 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.547 3.258 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.309 3.706 8.074 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.583 5.547 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.592 6.011 6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.412 7.218 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.576 6.593 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.093 7.545 8.842 1.00 0.00 H new ATOM 682 N SER A 46 -14.273 0.243 4.569 1.00 0.00 N ATOM 683 CA SER A 46 -12.805 -0.025 4.520 1.00 0.00 C ATOM 684 C SER A 46 -12.285 0.034 3.078 1.00 0.00 C ATOM 685 O SER A 46 -11.271 0.647 2.809 1.00 0.00 O ATOM 686 CB SER A 46 -12.638 -1.437 5.086 1.00 0.00 C ATOM 687 OG SER A 46 -11.596 -1.437 6.049 1.00 0.00 O ATOM 0 H SER A 46 -14.844 -0.550 4.863 1.00 0.00 H new ATOM 0 HA SER A 46 -12.242 0.717 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.570 -1.771 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.407 -2.138 4.284 1.00 0.00 H new ATOM 0 HG SER A 46 -11.488 -2.340 6.414 1.00 0.00 H new ATOM 693 N CYS A 47 -12.964 -0.606 2.150 1.00 0.00 N ATOM 694 CA CYS A 47 -12.488 -0.591 0.728 1.00 0.00 C ATOM 695 C CYS A 47 -12.565 0.817 0.132 1.00 0.00 C ATOM 696 O CYS A 47 -11.782 1.166 -0.729 1.00 0.00 O ATOM 697 CB CYS A 47 -13.404 -1.543 -0.042 1.00 0.00 C ATOM 698 SG CYS A 47 -12.715 -1.794 -1.697 1.00 0.00 S ATOM 0 H CYS A 47 -13.821 -1.134 2.316 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.445 -0.901 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.486 -2.495 0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.410 -1.128 -0.110 1.00 0.00 H new ATOM 703 N CYS A 48 -13.493 1.632 0.569 1.00 0.00 N ATOM 704 CA CYS A 48 -13.583 3.016 0.005 1.00 0.00 C ATOM 705 C CYS A 48 -12.265 3.762 0.238 1.00 0.00 C ATOM 706 O CYS A 48 -11.778 4.464 -0.626 1.00 0.00 O ATOM 707 CB CYS A 48 -14.722 3.697 0.759 1.00 0.00 C ATOM 708 SG CYS A 48 -14.810 5.443 0.288 1.00 0.00 S ATOM 0 H CYS A 48 -14.185 1.404 1.283 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.766 3.007 -1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.667 3.202 0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.564 3.608 1.834 1.00 0.00 H new ATOM 713 N SER A 49 -11.681 3.604 1.398 1.00 0.00 N ATOM 714 CA SER A 49 -10.388 4.294 1.684 1.00 0.00 C ATOM 715 C SER A 49 -9.203 3.442 1.210 1.00 0.00 C ATOM 716 O SER A 49 -8.138 3.956 0.930 1.00 0.00 O ATOM 717 CB SER A 49 -10.353 4.465 3.203 1.00 0.00 C ATOM 718 OG SER A 49 -9.254 5.295 3.556 1.00 0.00 O ATOM 0 H SER A 49 -12.043 3.028 2.158 1.00 0.00 H new ATOM 0 HA SER A 49 -10.313 5.249 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.286 4.908 3.552 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.261 3.493 3.688 1.00 0.00 H new ATOM 0 HG SER A 49 -9.229 5.408 4.529 1.00 0.00 H new ATOM 724 N ARG A 50 -9.376 2.146 1.128 1.00 0.00 N ATOM 725 CA ARG A 50 -8.255 1.263 0.683 1.00 0.00 C ATOM 726 C ARG A 50 -8.154 1.218 -0.850 1.00 0.00 C ATOM 727 O ARG A 50 -7.073 1.110 -1.396 1.00 0.00 O ATOM 728 CB ARG A 50 -8.601 -0.122 1.239 1.00 0.00 C ATOM 729 CG ARG A 50 -7.427 -1.080 1.016 1.00 0.00 C ATOM 730 CD ARG A 50 -7.707 -1.962 -0.206 1.00 0.00 C ATOM 731 NE ARG A 50 -7.265 -3.333 0.185 1.00 0.00 N ATOM 732 CZ ARG A 50 -7.969 -4.035 1.037 1.00 0.00 C ATOM 733 NH1 ARG A 50 -9.224 -4.307 0.783 1.00 0.00 N ATOM 734 NH2 ARG A 50 -7.417 -4.462 2.141 1.00 0.00 N ATOM 0 H ARG A 50 -10.246 1.662 1.350 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.291 1.626 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.827 -0.051 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.495 -0.508 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.507 -0.515 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.279 -1.701 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.766 -1.950 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.161 -1.607 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.411 -3.724 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.654 -3.972 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.772 -4.854 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.439 -4.248 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.964 -5.009 2.806 1.00 0.00 H new ATOM 748 N LEU A 51 -9.265 1.283 -1.548 1.00 0.00 N ATOM 749 CA LEU A 51 -9.213 1.220 -3.044 1.00 0.00 C ATOM 750 C LEU A 51 -10.160 2.238 -3.707 1.00 0.00 C ATOM 751 O LEU A 51 -10.326 2.227 -4.911 1.00 0.00 O ATOM 752 CB LEU A 51 -9.659 -0.206 -3.386 1.00 0.00 C ATOM 753 CG LEU A 51 -8.430 -1.103 -3.566 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.799 -2.547 -3.220 1.00 0.00 C ATOM 755 CD2 LEU A 51 -7.953 -1.033 -5.019 1.00 0.00 C ATOM 0 H LEU A 51 -10.199 1.376 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.215 1.461 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.295 -0.599 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.255 -0.202 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.632 -0.762 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.925 -3.186 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.138 -2.598 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.597 -2.887 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.079 -1.671 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.750 -1.373 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.690 -0.005 -5.267 1.00 0.00 H new ATOM 767 N GLY A 52 -10.781 3.111 -2.949 1.00 0.00 N ATOM 768 CA GLY A 52 -11.710 4.110 -3.566 1.00 0.00 C ATOM 769 C GLY A 52 -12.969 3.406 -4.100 1.00 0.00 C ATOM 770 O GLY A 52 -13.601 3.877 -5.027 1.00 0.00 O ATOM 0 H GLY A 52 -10.685 3.175 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.990 4.861 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.205 4.634 -4.378 1.00 0.00 H new ATOM 774 N ARG A 53 -13.338 2.284 -3.525 1.00 0.00 N ATOM 775 CA ARG A 53 -14.555 1.557 -4.002 1.00 0.00 C ATOM 776 C ARG A 53 -15.603 1.488 -2.888 1.00 0.00 C ATOM 777 O ARG A 53 -15.274 1.403 -1.723 1.00 0.00 O ATOM 778 CB ARG A 53 -14.069 0.153 -4.374 1.00 0.00 C ATOM 779 CG ARG A 53 -13.649 0.123 -5.849 1.00 0.00 C ATOM 780 CD ARG A 53 -14.867 0.380 -6.747 1.00 0.00 C ATOM 781 NE ARG A 53 -14.725 1.794 -7.213 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.393 2.210 -8.260 1.00 0.00 C ATOM 783 NH1 ARG A 53 -16.697 2.109 -8.286 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.756 2.725 -9.279 1.00 0.00 N ATOM 0 H ARG A 53 -12.848 1.842 -2.747 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.025 2.058 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.228 -0.130 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.861 -0.575 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.885 0.878 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.207 -0.844 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.887 -0.311 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.797 0.239 -6.197 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.107 2.435 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.193 1.706 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.217 2.433 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.739 2.803 -9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.276 3.049 -10.095 1.00 0.00 H new ATOM 798 N CYS A 54 -16.862 1.547 -3.251 1.00 0.00 N ATOM 799 CA CYS A 54 -17.972 1.511 -2.241 1.00 0.00 C ATOM 800 C CYS A 54 -17.862 2.745 -1.343 1.00 0.00 C ATOM 801 O CYS A 54 -17.800 2.655 -0.132 1.00 0.00 O ATOM 802 CB CYS A 54 -17.792 0.214 -1.436 1.00 0.00 C ATOM 803 SG CYS A 54 -18.199 -1.212 -2.477 1.00 0.00 S ATOM 0 H CYS A 54 -17.174 1.620 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.958 1.525 -2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.765 0.135 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.434 0.229 -0.556 1.00 0.00 H new ATOM 808 N CYS A 55 -17.817 3.900 -1.953 1.00 0.00 N ATOM 809 CA CYS A 55 -17.684 5.167 -1.182 1.00 0.00 C ATOM 810 C CYS A 55 -19.034 5.894 -1.045 1.00 0.00 C ATOM 811 O CYS A 55 -19.088 7.018 -0.582 1.00 0.00 O ATOM 812 CB CYS A 55 -16.702 5.998 -2.009 1.00 0.00 C ATOM 813 SG CYS A 55 -15.015 5.408 -1.722 1.00 0.00 S ATOM 0 H CYS A 55 -17.867 4.019 -2.965 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.343 4.994 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.949 5.923 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.781 7.050 -1.737 1.00 0.00 H new ATOM 818 N HIS A 56 -20.121 5.271 -1.440 1.00 0.00 N ATOM 819 CA HIS A 56 -21.450 5.936 -1.325 1.00 0.00 C ATOM 820 C HIS A 56 -22.527 4.920 -0.909 1.00 0.00 C ATOM 821 O HIS A 56 -23.628 4.923 -1.426 1.00 0.00 O ATOM 822 CB HIS A 56 -21.728 6.485 -2.726 1.00 0.00 C ATOM 823 CG HIS A 56 -22.519 7.760 -2.622 1.00 0.00 C ATOM 824 ND1 HIS A 56 -21.933 8.965 -2.267 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.849 8.035 -2.824 1.00 0.00 C ATOM 826 CE1 HIS A 56 -22.898 9.901 -2.266 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.086 9.388 -2.598 1.00 0.00 N ATOM 0 H HIS A 56 -20.140 4.331 -1.836 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.460 6.720 -0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.789 6.670 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.280 5.750 -3.312 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -20.948 9.114 -2.047 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -24.597 7.312 -3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.733 10.941 -2.026 1.00 0.00 H new ATOM 835 N VAL A 57 -22.216 4.054 0.026 1.00 0.00 N ATOM 836 CA VAL A 57 -23.220 3.042 0.477 1.00 0.00 C ATOM 837 C VAL A 57 -23.899 3.514 1.769 1.00 0.00 C ATOM 838 O VAL A 57 -23.260 3.686 2.792 1.00 0.00 O ATOM 839 CB VAL A 57 -22.420 1.756 0.712 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.343 0.663 1.260 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.815 1.289 -0.613 1.00 0.00 C ATOM 0 H VAL A 57 -21.311 4.005 0.495 1.00 0.00 H new ATOM 0 HA VAL A 57 -24.012 2.888 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.626 1.952 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.769 -0.249 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.778 0.994 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.139 0.466 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.245 0.374 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.613 1.096 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.155 2.063 -1.004 1.00 0.00 H new ATOM 851 N GLY A 58 -25.190 3.730 1.723 1.00 0.00 N ATOM 852 CA GLY A 58 -25.921 4.199 2.938 1.00 0.00 C ATOM 853 C GLY A 58 -25.836 5.724 3.025 1.00 0.00 C ATOM 854 O GLY A 58 -25.414 6.275 4.024 1.00 0.00 O ATOM 0 H GLY A 58 -25.770 3.601 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.963 3.884 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.490 3.748 3.832 1.00 0.00 H new ATOM 858 N LYS A 59 -26.234 6.404 1.981 1.00 0.00 N ATOM 859 CA LYS A 59 -26.183 7.896 1.983 1.00 0.00 C ATOM 860 C LYS A 59 -27.511 8.470 2.497 1.00 0.00 C ATOM 861 O LYS A 59 -28.348 8.913 1.731 1.00 0.00 O ATOM 862 CB LYS A 59 -25.943 8.285 0.518 1.00 0.00 C ATOM 863 CG LYS A 59 -25.595 9.774 0.425 1.00 0.00 C ATOM 864 CD LYS A 59 -26.551 10.464 -0.554 1.00 0.00 C ATOM 865 CE LYS A 59 -26.485 11.984 -0.355 1.00 0.00 C ATOM 866 NZ LYS A 59 -25.894 12.521 -1.616 1.00 0.00 N ATOM 0 H LYS A 59 -26.594 5.987 1.123 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.403 8.287 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.133 7.686 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.833 8.073 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -25.669 10.237 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -24.565 9.897 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -26.283 10.210 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -27.569 10.110 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.476 12.401 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.871 12.241 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.819 13.556 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.948 12.113 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.503 12.268 -2.420 1.00 0.00 H new ATOM 880 N GLY A 60 -27.706 8.463 3.792 1.00 0.00 N ATOM 881 CA GLY A 60 -28.973 9.002 4.368 1.00 0.00 C ATOM 882 C GLY A 60 -30.009 7.879 4.472 1.00 0.00 C ATOM 883 O GLY A 60 -30.208 7.118 3.544 1.00 0.00 O ATOM 0 H GLY A 60 -27.039 8.106 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -28.784 9.428 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -29.356 9.807 3.741 1.00 0.00 H new ATOM 887 N TYR A 61 -30.674 7.773 5.596 1.00 0.00 N ATOM 888 CA TYR A 61 -31.702 6.702 5.766 1.00 0.00 C ATOM 889 C TYR A 61 -33.008 7.104 5.067 1.00 0.00 C ATOM 890 O TYR A 61 -33.281 8.273 4.871 1.00 0.00 O ATOM 891 CB TYR A 61 -31.909 6.584 7.280 1.00 0.00 C ATOM 892 CG TYR A 61 -32.911 5.494 7.573 1.00 0.00 C ATOM 893 CD1 TYR A 61 -32.584 4.154 7.322 1.00 0.00 C ATOM 894 CD2 TYR A 61 -34.170 5.821 8.090 1.00 0.00 C ATOM 895 CE1 TYR A 61 -33.517 3.146 7.590 1.00 0.00 C ATOM 896 CE2 TYR A 61 -35.102 4.813 8.355 1.00 0.00 C ATOM 897 CZ TYR A 61 -34.775 3.476 8.105 1.00 0.00 C ATOM 898 OH TYR A 61 -35.695 2.483 8.364 1.00 0.00 O ATOM 0 H TYR A 61 -30.548 8.383 6.404 1.00 0.00 H new ATOM 0 HA TYR A 61 -31.389 5.755 5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -30.961 6.361 7.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -32.261 7.533 7.684 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -31.613 3.900 6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -34.422 6.853 8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -33.266 2.113 7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -36.074 5.066 8.752 1.00 0.00 H new ATOM 0 HH TYR A 61 -36.516 2.883 8.719 1.00 0.00 H new ATOM 908 N SER A 62 -33.810 6.141 4.688 1.00 0.00 N ATOM 909 CA SER A 62 -35.099 6.458 3.998 1.00 0.00 C ATOM 910 C SER A 62 -36.147 6.914 5.019 1.00 0.00 C ATOM 911 O SER A 62 -36.347 6.282 6.038 1.00 0.00 O ATOM 912 CB SER A 62 -35.555 5.161 3.312 1.00 0.00 C ATOM 913 OG SER A 62 -34.609 4.119 3.537 1.00 0.00 O ATOM 0 H SER A 62 -33.628 5.147 4.827 1.00 0.00 H new ATOM 0 HA SER A 62 -34.973 7.264 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 62 -36.531 4.863 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 62 -35.671 5.330 2.241 1.00 0.00 H new ATOM 0 HG SER A 62 -34.914 3.299 3.095 1.00 0.00 H new ATOM 919 N GLY A 63 -36.816 8.005 4.747 1.00 0.00 N ATOM 920 CA GLY A 63 -37.851 8.511 5.693 1.00 0.00 C ATOM 921 C GLY A 63 -37.194 9.421 6.734 1.00 0.00 C ATOM 922 O GLY A 63 -37.267 10.627 6.567 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.628 8.896 7.679 1.00 0.00 O ATOM 0 H GLY A 63 -36.688 8.568 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -38.619 9.060 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -38.347 7.675 6.187 1.00 0.00 H new TER 927 GLY A 63