USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 1 ILE N :NH3+ 168:sc= -0.0204 (180deg=-0.159) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -100:sc= -1.05 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -7:sc= 0.906 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.081) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.7! C(o=-1.7!,f=-12!) USER MOD Single : A 40 ASN : amide:sc= -2.27 K(o=-2.3,f=-6.8!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 45 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.066) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.103 14.301 2.994 1.00 0.00 N ATOM 2 CA ILE A 1 7.432 12.987 2.832 1.00 0.00 C ATOM 3 C ILE A 1 8.405 11.936 2.305 1.00 0.00 C ATOM 4 O ILE A 1 8.881 12.025 1.172 1.00 0.00 O ATOM 5 CB ILE A 1 6.227 13.091 1.873 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.464 11.767 1.829 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.683 13.496 0.478 1.00 0.00 C ATOM 8 CD1 ILE A 1 4.788 11.416 3.137 1.00 0.00 C ATOM 0 H1 ILE A 1 7.388 15.039 3.155 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.750 14.262 3.807 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.642 14.524 2.133 1.00 0.00 H new ATOM 0 HA ILE A 1 7.077 12.684 3.817 1.00 0.00 H new ATOM 0 HB ILE A 1 5.555 13.863 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.711 11.816 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 1 6.154 10.968 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.818 13.564 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.180 14.465 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.377 12.750 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 1 4.266 10.465 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 1 5.538 11.334 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 1 4.073 12.196 3.398 1.00 0.00 H new ATOM 22 N ASP A 2 8.704 10.944 3.139 1.00 0.00 N ATOM 23 CA ASP A 2 9.629 9.879 2.762 1.00 0.00 C ATOM 24 C ASP A 2 8.900 8.551 2.571 1.00 0.00 C ATOM 25 O ASP A 2 9.404 7.650 1.900 1.00 0.00 O ATOM 26 CB ASP A 2 10.715 9.725 3.827 1.00 0.00 C ATOM 27 CG ASP A 2 11.594 10.955 3.941 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.165 12.036 3.486 1.00 0.00 O ATOM 29 OD2 ASP A 2 12.711 10.837 4.486 1.00 0.00 O ATOM 0 H ASP A 2 8.320 10.855 4.080 1.00 0.00 H new ATOM 0 HA ASP A 2 10.087 10.155 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.248 9.525 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.334 8.861 3.588 1.00 0.00 H new ATOM 34 N THR A 3 7.720 8.427 3.172 1.00 0.00 N ATOM 35 CA THR A 3 6.938 7.200 3.069 1.00 0.00 C ATOM 36 C THR A 3 6.107 7.174 1.790 1.00 0.00 C ATOM 37 O THR A 3 6.088 6.173 1.072 1.00 0.00 O ATOM 38 CB THR A 3 6.021 7.054 4.284 1.00 0.00 C ATOM 39 OG1 THR A 3 6.707 7.397 5.474 1.00 0.00 O ATOM 40 CG2 THR A 3 5.475 5.653 4.454 1.00 0.00 C ATOM 0 H THR A 3 7.286 9.159 3.734 1.00 0.00 H new ATOM 0 HA THR A 3 7.636 6.364 3.038 1.00 0.00 H new ATOM 0 HB THR A 3 5.187 7.732 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.103 7.299 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.832 5.617 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.898 5.378 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.301 4.953 4.580 1.00 0.00 H new ATOM 48 N CYS A 4 5.412 8.272 1.515 1.00 0.00 N ATOM 49 CA CYS A 4 4.569 8.366 0.328 1.00 0.00 C ATOM 50 C CYS A 4 5.396 8.326 -0.958 1.00 0.00 C ATOM 51 O CYS A 4 4.848 8.154 -2.047 1.00 0.00 O ATOM 52 CB CYS A 4 3.736 9.648 0.372 1.00 0.00 C ATOM 53 SG CYS A 4 2.006 9.430 -0.157 1.00 0.00 S ATOM 0 H CYS A 4 5.415 9.109 2.097 1.00 0.00 H new ATOM 0 HA CYS A 4 3.905 7.501 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.747 10.041 1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.208 10.397 -0.264 1.00 0.00 H new ATOM 58 N ARG A 5 6.711 8.489 -0.836 1.00 0.00 N ATOM 59 CA ARG A 5 7.587 8.472 -2.003 1.00 0.00 C ATOM 60 C ARG A 5 8.166 7.081 -2.241 1.00 0.00 C ATOM 61 O ARG A 5 8.435 6.699 -3.380 1.00 0.00 O ATOM 62 CB ARG A 5 8.720 9.486 -1.836 1.00 0.00 C ATOM 63 CG ARG A 5 9.505 9.314 -0.547 1.00 0.00 C ATOM 64 CD ARG A 5 10.980 9.631 -0.744 1.00 0.00 C ATOM 65 NE ARG A 5 11.810 9.055 0.311 1.00 0.00 N ATOM 66 CZ ARG A 5 13.123 8.862 0.200 1.00 0.00 C ATOM 67 NH1 ARG A 5 13.758 9.201 -0.915 1.00 0.00 N ATOM 68 NH2 ARG A 5 13.802 8.328 1.206 1.00 0.00 N ATOM 0 H ARG A 5 7.190 8.633 0.053 1.00 0.00 H new ATOM 0 HA ARG A 5 6.987 8.746 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.402 9.398 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.303 10.493 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.091 9.967 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.397 8.291 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.307 9.249 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.119 10.712 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 5 11.357 8.785 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.240 9.612 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.764 9.051 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.319 8.065 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.808 8.180 1.121 1.00 0.00 H new ATOM 82 N LEU A 6 8.360 6.327 -1.163 1.00 0.00 N ATOM 83 CA LEU A 6 8.911 4.981 -1.268 1.00 0.00 C ATOM 84 C LEU A 6 7.805 3.956 -1.528 1.00 0.00 C ATOM 85 O LEU A 6 6.857 3.848 -0.750 1.00 0.00 O ATOM 86 CB LEU A 6 9.677 4.618 0.009 1.00 0.00 C ATOM 87 CG LEU A 6 8.807 4.290 1.225 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.435 2.814 1.235 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.530 4.665 2.511 1.00 0.00 C ATOM 0 H LEU A 6 8.145 6.624 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 6 9.601 4.962 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.315 3.760 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.334 5.449 0.267 1.00 0.00 H new ATOM 0 HG LEU A 6 7.889 4.875 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.817 2.601 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.880 2.573 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.342 2.211 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.898 4.426 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.463 4.105 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.747 5.733 2.508 1.00 0.00 H new ATOM 101 N PRO A 7 7.912 3.185 -2.627 1.00 0.00 N ATOM 102 CA PRO A 7 6.916 2.169 -2.976 1.00 0.00 C ATOM 103 C PRO A 7 7.028 0.924 -2.104 1.00 0.00 C ATOM 104 O PRO A 7 8.041 0.709 -1.438 1.00 0.00 O ATOM 105 CB PRO A 7 7.253 1.837 -4.429 1.00 0.00 C ATOM 106 CG PRO A 7 8.715 2.094 -4.540 1.00 0.00 C ATOM 107 CD PRO A 7 9.010 3.243 -3.613 1.00 0.00 C ATOM 0 HA PRO A 7 5.897 2.526 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.013 0.800 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.687 2.461 -5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.288 1.210 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.990 2.340 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.984 3.133 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.021 4.194 -4.145 1.00 0.00 H new ATOM 115 N SER A 8 5.983 0.104 -2.114 1.00 0.00 N ATOM 116 CA SER A 8 5.965 -1.121 -1.326 1.00 0.00 C ATOM 117 C SER A 8 6.084 -2.345 -2.228 1.00 0.00 C ATOM 118 O SER A 8 5.638 -2.329 -3.374 1.00 0.00 O ATOM 119 CB SER A 8 4.682 -1.199 -0.495 1.00 0.00 C ATOM 120 OG SER A 8 4.926 -0.836 0.854 1.00 0.00 O ATOM 0 H SER A 8 5.137 0.266 -2.660 1.00 0.00 H new ATOM 0 HA SER A 8 6.821 -1.107 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.927 -0.538 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.279 -2.211 -0.536 1.00 0.00 H new ATOM 0 HG SER A 8 5.009 -1.645 1.401 1.00 0.00 H new ATOM 126 N ASP A 9 6.690 -3.406 -1.703 1.00 0.00 N ATOM 127 CA ASP A 9 6.865 -4.638 -2.462 1.00 0.00 C ATOM 128 C ASP A 9 5.672 -5.567 -2.263 1.00 0.00 C ATOM 129 O ASP A 9 5.039 -5.563 -1.208 1.00 0.00 O ATOM 130 CB ASP A 9 8.159 -5.343 -2.044 1.00 0.00 C ATOM 131 CG ASP A 9 9.281 -5.137 -3.044 1.00 0.00 C ATOM 132 OD1 ASP A 9 9.700 -3.975 -3.235 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.740 -6.136 -3.635 1.00 0.00 O ATOM 0 H ASP A 9 7.067 -3.436 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 9 6.931 -4.382 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.473 -4.971 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.968 -6.410 -1.932 1.00 0.00 H new ATOM 138 N ARG A 10 5.363 -6.352 -3.289 1.00 0.00 N ATOM 139 CA ARG A 10 4.237 -7.276 -3.233 1.00 0.00 C ATOM 140 C ARG A 10 4.647 -8.646 -2.694 1.00 0.00 C ATOM 141 O ARG A 10 3.789 -9.477 -2.398 1.00 0.00 O ATOM 142 CB ARG A 10 3.624 -7.430 -4.624 1.00 0.00 C ATOM 143 CG ARG A 10 2.871 -6.198 -5.095 1.00 0.00 C ATOM 144 CD ARG A 10 2.638 -6.231 -6.596 1.00 0.00 C ATOM 145 NE ARG A 10 1.872 -7.406 -7.004 1.00 0.00 N ATOM 146 CZ ARG A 10 1.236 -7.509 -8.169 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.255 -6.502 -9.035 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.579 -8.620 -8.471 1.00 0.00 N ATOM 0 H ARG A 10 5.877 -6.367 -4.170 1.00 0.00 H new ATOM 0 HA ARG A 10 3.501 -6.858 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.416 -7.657 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.944 -8.282 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.914 -6.135 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.435 -5.303 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.108 -5.329 -6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.598 -6.227 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 10 1.821 -8.194 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.759 -5.644 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.766 -6.586 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.560 -9.397 -7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.092 -8.698 -9.364 1.00 0.00 H new ATOM 162 N GLY A 11 5.956 -8.874 -2.565 1.00 0.00 N ATOM 163 CA GLY A 11 6.458 -10.146 -2.059 1.00 0.00 C ATOM 164 C GLY A 11 5.587 -11.334 -2.425 1.00 0.00 C ATOM 165 O GLY A 11 4.677 -11.693 -1.678 1.00 0.00 O ATOM 0 H GLY A 11 6.681 -8.197 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.463 -10.310 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.541 -10.088 -0.974 1.00 0.00 H new ATOM 169 N ARG A 12 5.865 -11.953 -3.568 1.00 0.00 N ATOM 170 CA ARG A 12 5.094 -13.112 -4.011 1.00 0.00 C ATOM 171 C ARG A 12 4.976 -14.134 -2.885 1.00 0.00 C ATOM 172 O ARG A 12 3.895 -14.350 -2.338 1.00 0.00 O ATOM 173 CB ARG A 12 5.750 -13.754 -5.235 1.00 0.00 C ATOM 174 CG ARG A 12 5.145 -13.308 -6.556 1.00 0.00 C ATOM 175 CD ARG A 12 5.216 -14.410 -7.602 1.00 0.00 C ATOM 176 NE ARG A 12 3.994 -15.211 -7.638 1.00 0.00 N ATOM 177 CZ ARG A 12 3.774 -16.186 -8.516 1.00 0.00 C ATOM 178 NH1 ARG A 12 4.688 -16.486 -9.430 1.00 0.00 N ATOM 179 NH2 ARG A 12 2.635 -16.867 -8.479 1.00 0.00 N ATOM 0 H ARG A 12 6.614 -11.674 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 12 4.094 -12.775 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.814 -13.515 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.666 -14.838 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.106 -13.018 -6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.672 -12.426 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.389 -13.968 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.067 -15.057 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 12 3.268 -15.011 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.566 -15.968 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.513 -17.235 -10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.929 -16.643 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.466 -17.615 -9.152 1.00 0.00 H new ATOM 193 N CYS A 13 6.101 -14.753 -2.536 1.00 0.00 N ATOM 194 CA CYS A 13 6.132 -15.744 -1.466 1.00 0.00 C ATOM 195 C CYS A 13 4.966 -16.727 -1.595 1.00 0.00 C ATOM 196 O CYS A 13 4.398 -16.881 -2.675 1.00 0.00 O ATOM 197 CB CYS A 13 6.107 -15.035 -0.108 1.00 0.00 C ATOM 198 SG CYS A 13 7.401 -13.762 0.077 1.00 0.00 S ATOM 0 H CYS A 13 7.004 -14.585 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 13 7.054 -16.320 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.131 -14.571 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.224 -15.777 0.682 1.00 0.00 H new ATOM 203 N LYS A 14 4.619 -17.397 -0.500 1.00 0.00 N ATOM 204 CA LYS A 14 3.529 -18.366 -0.519 1.00 0.00 C ATOM 205 C LYS A 14 2.174 -17.707 -0.272 1.00 0.00 C ATOM 206 O LYS A 14 1.158 -18.393 -0.158 1.00 0.00 O ATOM 207 CB LYS A 14 3.775 -19.457 0.525 1.00 0.00 C ATOM 208 CG LYS A 14 3.408 -20.853 0.046 1.00 0.00 C ATOM 209 CD LYS A 14 4.641 -21.650 -0.357 1.00 0.00 C ATOM 210 CE LYS A 14 4.776 -22.924 0.462 1.00 0.00 C ATOM 211 NZ LYS A 14 5.832 -23.823 -0.080 1.00 0.00 N ATOM 0 H LYS A 14 5.074 -17.288 0.406 1.00 0.00 H new ATOM 0 HA LYS A 14 3.505 -18.810 -1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.827 -19.445 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.199 -19.227 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.875 -21.381 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.728 -20.780 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.582 -21.902 -1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.532 -21.036 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.012 -22.668 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.822 -23.451 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.893 -24.680 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.594 -24.088 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.748 -23.330 -0.068 1.00 0.00 H new ATOM 225 N ALA A 15 2.154 -16.379 -0.190 1.00 0.00 N ATOM 226 CA ALA A 15 0.908 -15.656 0.042 1.00 0.00 C ATOM 227 C ALA A 15 0.480 -14.874 -1.195 1.00 0.00 C ATOM 228 O ALA A 15 1.260 -14.692 -2.130 1.00 0.00 O ATOM 229 CB ALA A 15 1.048 -14.729 1.240 1.00 0.00 C ATOM 0 H ALA A 15 2.979 -15.786 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 15 0.130 -16.389 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.110 -14.197 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.289 -15.315 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.846 -14.010 1.053 1.00 0.00 H new ATOM 235 N SER A 16 -0.767 -14.414 -1.191 1.00 0.00 N ATOM 236 CA SER A 16 -1.306 -13.650 -2.310 1.00 0.00 C ATOM 237 C SER A 16 -2.576 -12.910 -1.902 1.00 0.00 C ATOM 238 O SER A 16 -3.685 -13.318 -2.250 1.00 0.00 O ATOM 239 CB SER A 16 -1.596 -14.576 -3.493 1.00 0.00 C ATOM 240 OG SER A 16 -0.400 -15.126 -4.016 1.00 0.00 O ATOM 0 H SER A 16 -1.424 -14.557 -0.424 1.00 0.00 H new ATOM 0 HA SER A 16 -0.560 -12.914 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.261 -15.379 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.117 -14.021 -4.274 1.00 0.00 H new ATOM 0 HG SER A 16 0.371 -14.702 -3.585 1.00 0.00 H new ATOM 246 N PHE A 17 -2.408 -11.817 -1.165 1.00 0.00 N ATOM 247 CA PHE A 17 -3.538 -11.016 -0.713 1.00 0.00 C ATOM 248 C PHE A 17 -3.536 -9.655 -1.399 1.00 0.00 C ATOM 249 O PHE A 17 -2.572 -9.294 -2.072 1.00 0.00 O ATOM 250 CB PHE A 17 -3.492 -10.834 0.806 1.00 0.00 C ATOM 251 CG PHE A 17 -4.363 -11.804 1.553 1.00 0.00 C ATOM 252 CD1 PHE A 17 -5.740 -11.649 1.569 1.00 0.00 C ATOM 253 CD2 PHE A 17 -3.804 -12.870 2.241 1.00 0.00 C ATOM 254 CE1 PHE A 17 -6.543 -12.539 2.256 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.603 -13.763 2.930 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.974 -13.597 2.938 1.00 0.00 C ATOM 0 H PHE A 17 -1.498 -11.466 -0.868 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.456 -11.542 -0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.463 -10.946 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.800 -9.818 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.191 -10.823 1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.732 -13.004 2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.615 -12.408 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.156 -14.590 3.462 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.600 -14.293 3.476 1.00 0.00 H new ATOM 266 N GLU A 18 -4.616 -8.903 -1.228 1.00 0.00 N ATOM 267 CA GLU A 18 -4.726 -7.584 -1.837 1.00 0.00 C ATOM 268 C GLU A 18 -4.490 -6.485 -0.806 1.00 0.00 C ATOM 269 O GLU A 18 -4.988 -6.556 0.317 1.00 0.00 O ATOM 270 CB GLU A 18 -6.102 -7.409 -2.483 1.00 0.00 C ATOM 271 CG GLU A 18 -6.200 -8.015 -3.873 1.00 0.00 C ATOM 272 CD GLU A 18 -6.716 -9.441 -3.851 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.790 -9.674 -3.258 1.00 0.00 O ATOM 274 OE2 GLU A 18 -6.047 -10.323 -4.429 1.00 0.00 O ATOM 0 H GLU A 18 -5.426 -9.183 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.959 -7.503 -2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.856 -7.866 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.335 -6.346 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.861 -7.403 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.217 -7.995 -4.344 1.00 0.00 H new ATOM 281 N ARG A 19 -3.727 -5.469 -1.197 1.00 0.00 N ATOM 282 CA ARG A 19 -3.424 -4.354 -0.308 1.00 0.00 C ATOM 283 C ARG A 19 -3.326 -3.046 -1.088 1.00 0.00 C ATOM 284 O ARG A 19 -3.208 -3.050 -2.314 1.00 0.00 O ATOM 285 CB ARG A 19 -2.117 -4.615 0.443 1.00 0.00 C ATOM 286 CG ARG A 19 -2.253 -5.639 1.558 1.00 0.00 C ATOM 287 CD ARG A 19 -1.713 -5.108 2.876 1.00 0.00 C ATOM 288 NE ARG A 19 -2.059 -5.976 3.999 1.00 0.00 N ATOM 289 CZ ARG A 19 -1.552 -5.841 5.222 1.00 0.00 C ATOM 290 NH1 ARG A 19 -0.672 -4.881 5.481 1.00 0.00 N ATOM 291 NH2 ARG A 19 -1.924 -6.670 6.188 1.00 0.00 N ATOM 0 H ARG A 19 -3.307 -5.395 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.237 -4.264 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.363 -4.958 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.755 -3.677 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.302 -5.911 1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.717 -6.548 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.629 -5.013 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.110 -4.109 3.054 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.728 -6.729 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.381 -4.242 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.287 -4.782 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.598 -7.410 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.536 -6.567 7.126 1.00 0.00 H new ATOM 305 N TRP A 20 -3.380 -1.930 -0.367 1.00 0.00 N ATOM 306 CA TRP A 20 -3.302 -0.612 -0.988 1.00 0.00 C ATOM 307 C TRP A 20 -1.959 0.055 -0.703 1.00 0.00 C ATOM 308 O TRP A 20 -1.398 -0.093 0.381 1.00 0.00 O ATOM 309 CB TRP A 20 -4.439 0.279 -0.484 1.00 0.00 C ATOM 310 CG TRP A 20 -5.800 -0.239 -0.834 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.603 -1.025 -0.059 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.520 -0.007 -2.049 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.777 -1.295 -0.717 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.750 -0.682 -1.940 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.245 0.707 -3.219 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.701 -0.665 -2.954 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.191 0.724 -4.227 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.407 0.041 -4.089 1.00 0.00 C ATOM 0 H TRP A 20 -3.477 -1.912 0.648 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.397 -0.745 -2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.362 0.375 0.599 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.320 1.279 -0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.351 -1.383 0.929 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.544 -1.860 -0.354 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.310 1.236 -3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.639 -1.190 -2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.990 1.272 -5.135 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.126 0.072 -4.894 1.00 0.00 H new ATOM 329 N TYR A 21 -1.450 0.788 -1.689 1.00 0.00 N ATOM 330 CA TYR A 21 -0.169 1.481 -1.551 1.00 0.00 C ATOM 331 C TYR A 21 -0.288 2.920 -2.037 1.00 0.00 C ATOM 332 O TYR A 21 -1.109 3.224 -2.902 1.00 0.00 O ATOM 333 CB TYR A 21 0.924 0.750 -2.341 1.00 0.00 C ATOM 334 CG TYR A 21 0.408 0.096 -3.600 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.513 -0.937 -3.529 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.816 0.527 -4.856 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.012 -1.526 -4.666 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.313 -0.054 -6.003 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.602 -1.082 -5.903 1.00 0.00 C ATOM 340 OH TYR A 21 -1.128 -1.647 -7.043 1.00 0.00 O ATOM 0 H TYR A 21 -1.904 0.919 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 21 0.105 1.487 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.710 1.458 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.378 -0.009 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.845 -1.286 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.537 1.328 -4.936 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.724 -2.335 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.634 0.294 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.734 -1.220 -7.832 1.00 0.00 H new ATOM 350 N PHE A 22 0.531 3.804 -1.479 1.00 0.00 N ATOM 351 CA PHE A 22 0.508 5.212 -1.861 1.00 0.00 C ATOM 352 C PHE A 22 1.047 5.401 -3.276 1.00 0.00 C ATOM 353 O PHE A 22 1.937 4.672 -3.714 1.00 0.00 O ATOM 354 CB PHE A 22 1.332 6.045 -0.878 1.00 0.00 C ATOM 355 CG PHE A 22 0.840 5.971 0.540 1.00 0.00 C ATOM 356 CD1 PHE A 22 -0.447 6.369 0.862 1.00 0.00 C ATOM 357 CD2 PHE A 22 1.668 5.507 1.551 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.901 6.305 2.166 1.00 0.00 C ATOM 359 CE2 PHE A 22 1.220 5.442 2.856 1.00 0.00 C ATOM 360 CZ PHE A 22 -0.067 5.842 3.164 1.00 0.00 C ATOM 0 H PHE A 22 1.218 3.572 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.528 5.550 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.368 5.709 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.324 7.086 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.103 6.733 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.674 5.193 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.907 6.617 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.874 5.079 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.419 5.792 4.184 1.00 0.00 H new ATOM 370 N ASN A 23 0.504 6.386 -3.983 1.00 0.00 N ATOM 371 CA ASN A 23 0.929 6.674 -5.348 1.00 0.00 C ATOM 372 C ASN A 23 0.700 8.144 -5.688 1.00 0.00 C ATOM 373 O ASN A 23 -0.195 8.482 -6.465 1.00 0.00 O ATOM 374 CB ASN A 23 0.177 5.782 -6.337 1.00 0.00 C ATOM 375 CG ASN A 23 1.037 5.372 -7.516 1.00 0.00 C ATOM 376 OD1 ASN A 23 1.841 4.446 -7.420 1.00 0.00 O ATOM 377 ND2 ASN A 23 0.871 6.064 -8.638 1.00 0.00 N ATOM 0 H ASN A 23 -0.232 6.999 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 23 1.996 6.465 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.176 4.889 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.705 6.310 -6.700 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.422 5.835 -9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.192 6.825 -8.672 1.00 0.00 H new ATOM 384 N GLY A 24 1.510 9.016 -5.096 1.00 0.00 N ATOM 385 CA GLY A 24 1.377 10.437 -5.343 1.00 0.00 C ATOM 386 C GLY A 24 0.267 11.063 -4.523 1.00 0.00 C ATOM 387 O GLY A 24 0.513 11.616 -3.451 1.00 0.00 O ATOM 0 H GLY A 24 2.257 8.762 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.320 10.933 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.180 10.602 -6.402 1.00 0.00 H new ATOM 391 N ARG A 25 -0.957 10.970 -5.027 1.00 0.00 N ATOM 392 CA ARG A 25 -2.115 11.528 -4.336 1.00 0.00 C ATOM 393 C ARG A 25 -3.118 10.434 -3.983 1.00 0.00 C ATOM 394 O ARG A 25 -3.824 10.525 -2.978 1.00 0.00 O ATOM 395 CB ARG A 25 -2.789 12.594 -5.202 1.00 0.00 C ATOM 396 CG ARG A 25 -3.294 12.066 -6.536 1.00 0.00 C ATOM 397 CD ARG A 25 -2.523 12.660 -7.704 1.00 0.00 C ATOM 398 NE ARG A 25 -3.393 12.958 -8.839 1.00 0.00 N ATOM 399 CZ ARG A 25 -2.946 13.243 -10.061 1.00 0.00 C ATOM 400 NH1 ARG A 25 -1.643 13.265 -10.311 1.00 0.00 N ATOM 401 NH2 ARG A 25 -3.806 13.505 -11.036 1.00 0.00 N ATOM 0 H ARG A 25 -1.175 10.513 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.767 11.989 -3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.626 13.022 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.081 13.402 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.204 10.980 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.353 12.300 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.023 13.573 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.745 11.964 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.402 12.947 -8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.977 13.063 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.307 13.484 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.809 13.488 -10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.465 13.723 -11.972 1.00 0.00 H new ATOM 415 N THR A 26 -3.176 9.398 -4.816 1.00 0.00 N ATOM 416 CA THR A 26 -4.091 8.286 -4.594 1.00 0.00 C ATOM 417 C THR A 26 -3.324 6.996 -4.343 1.00 0.00 C ATOM 418 O THR A 26 -2.097 6.963 -4.432 1.00 0.00 O ATOM 419 CB THR A 26 -5.015 8.112 -5.799 1.00 0.00 C ATOM 420 OG1 THR A 26 -5.962 7.084 -5.561 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.276 7.768 -7.074 1.00 0.00 C ATOM 0 H THR A 26 -2.598 9.307 -5.652 1.00 0.00 H new ATOM 0 HA THR A 26 -4.691 8.512 -3.712 1.00 0.00 H new ATOM 0 HB THR A 26 -5.504 9.077 -5.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.545 6.989 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.990 7.658 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.572 8.565 -7.313 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.733 6.833 -6.939 1.00 0.00 H new ATOM 429 N CYS A 27 -4.055 5.934 -4.028 1.00 0.00 N ATOM 430 CA CYS A 27 -3.442 4.638 -3.762 1.00 0.00 C ATOM 431 C CYS A 27 -3.763 3.642 -4.873 1.00 0.00 C ATOM 432 O CYS A 27 -4.714 3.822 -5.633 1.00 0.00 O ATOM 433 CB CYS A 27 -3.898 4.073 -2.407 1.00 0.00 C ATOM 434 SG CYS A 27 -5.051 5.135 -1.471 1.00 0.00 S ATOM 0 H CYS A 27 -5.072 5.944 -3.950 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.363 4.791 -3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.374 3.107 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.017 3.891 -1.792 1.00 0.00 H new ATOM 439 N ALA A 28 -2.957 2.589 -4.953 1.00 0.00 N ATOM 440 CA ALA A 28 -3.133 1.548 -5.958 1.00 0.00 C ATOM 441 C ALA A 28 -3.389 0.197 -5.290 1.00 0.00 C ATOM 442 O ALA A 28 -3.401 0.100 -4.064 1.00 0.00 O ATOM 443 CB ALA A 28 -1.940 1.499 -6.895 1.00 0.00 C ATOM 0 H ALA A 28 -2.167 2.434 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.009 1.787 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.092 0.715 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.833 2.460 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.037 1.287 -6.323 1.00 0.00 H new ATOM 449 N LYS A 29 -3.624 -0.838 -6.093 1.00 0.00 N ATOM 450 CA LYS A 29 -3.916 -2.168 -5.561 1.00 0.00 C ATOM 451 C LYS A 29 -3.115 -3.253 -6.276 1.00 0.00 C ATOM 452 O LYS A 29 -2.963 -3.228 -7.498 1.00 0.00 O ATOM 453 CB LYS A 29 -5.415 -2.462 -5.680 1.00 0.00 C ATOM 454 CG LYS A 29 -6.067 -2.835 -4.359 1.00 0.00 C ATOM 455 CD LYS A 29 -7.476 -3.373 -4.563 1.00 0.00 C ATOM 456 CE LYS A 29 -7.521 -4.886 -4.422 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.637 -5.484 -5.205 1.00 0.00 N ATOM 0 H LYS A 29 -3.618 -0.783 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.623 -2.176 -4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.918 -1.586 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.562 -3.275 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.460 -3.585 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.101 -1.960 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.149 -2.919 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.836 -3.088 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.574 -5.310 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.634 -5.149 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.773 -6.474 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.511 -4.948 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.408 -5.448 -6.219 1.00 0.00 H new ATOM 471 N PHE A 30 -2.607 -4.205 -5.498 1.00 0.00 N ATOM 472 CA PHE A 30 -1.817 -5.304 -6.043 1.00 0.00 C ATOM 473 C PHE A 30 -1.867 -6.523 -5.125 1.00 0.00 C ATOM 474 O PHE A 30 -2.457 -6.473 -4.045 1.00 0.00 O ATOM 475 CB PHE A 30 -0.363 -4.873 -6.273 1.00 0.00 C ATOM 476 CG PHE A 30 0.305 -4.208 -5.090 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.243 -4.272 -3.815 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.497 -3.521 -5.263 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.384 -3.664 -2.744 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.127 -2.911 -4.195 1.00 0.00 C ATOM 481 CZ PHE A 30 1.570 -2.983 -2.934 1.00 0.00 C ATOM 0 H PHE A 30 -2.729 -4.237 -4.486 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.252 -5.579 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.220 -5.751 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.333 -4.187 -7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.170 -4.803 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.939 -3.462 -6.246 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.054 -3.722 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.054 -2.378 -4.347 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.061 -2.508 -2.098 1.00 0.00 H new ATOM 491 N ILE A 31 -1.249 -7.618 -5.557 1.00 0.00 N ATOM 492 CA ILE A 31 -1.233 -8.837 -4.763 1.00 0.00 C ATOM 493 C ILE A 31 -0.028 -8.847 -3.827 1.00 0.00 C ATOM 494 O ILE A 31 1.068 -9.247 -4.215 1.00 0.00 O ATOM 495 CB ILE A 31 -1.193 -10.089 -5.661 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.369 -10.079 -6.640 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.212 -11.357 -4.819 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.718 -10.191 -5.964 1.00 0.00 C ATOM 0 H ILE A 31 -0.756 -7.684 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.151 -8.859 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.264 -10.073 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.339 -9.158 -7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.254 -10.904 -7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.183 -12.229 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.344 -11.369 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.123 -11.383 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.505 -10.178 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.768 -11.125 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.854 -9.351 -5.282 1.00 0.00 H new ATOM 510 N TYR A 32 -0.244 -8.397 -2.595 1.00 0.00 N ATOM 511 CA TYR A 32 0.819 -8.336 -1.598 1.00 0.00 C ATOM 512 C TYR A 32 0.880 -9.617 -0.771 1.00 0.00 C ATOM 513 O TYR A 32 0.114 -9.792 0.177 1.00 0.00 O ATOM 514 CB TYR A 32 0.601 -7.131 -0.679 1.00 0.00 C ATOM 515 CG TYR A 32 1.611 -7.016 0.445 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.970 -7.175 0.207 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.201 -6.742 1.743 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.892 -7.066 1.231 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.116 -6.631 2.773 1.00 0.00 C ATOM 520 CZ TYR A 32 3.460 -6.792 2.512 1.00 0.00 C ATOM 521 OH TYR A 32 4.375 -6.684 3.534 1.00 0.00 O ATOM 0 H TYR A 32 -1.150 -8.068 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 32 1.769 -8.228 -2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.635 -6.221 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.399 -7.192 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.312 -7.387 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.149 -6.613 1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.945 -7.195 1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.780 -6.419 3.777 1.00 0.00 H new ATOM 0 HH TYR A 32 5.226 -6.354 3.178 1.00 0.00 H new ATOM 531 N GLY A 33 1.807 -10.502 -1.124 1.00 0.00 N ATOM 532 CA GLY A 33 1.959 -11.744 -0.388 1.00 0.00 C ATOM 533 C GLY A 33 2.326 -11.502 1.065 1.00 0.00 C ATOM 534 O GLY A 33 2.178 -12.386 1.907 1.00 0.00 O ATOM 0 H GLY A 33 2.454 -10.382 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.029 -12.311 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.730 -12.353 -0.860 1.00 0.00 H new ATOM 538 N GLY A 34 2.805 -10.295 1.361 1.00 0.00 N ATOM 539 CA GLY A 34 3.182 -9.961 2.721 1.00 0.00 C ATOM 540 C GLY A 34 4.677 -9.754 2.885 1.00 0.00 C ATOM 541 O GLY A 34 5.150 -9.472 3.986 1.00 0.00 O ATOM 0 H GLY A 34 2.938 -9.545 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.659 -9.054 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.855 -10.757 3.389 1.00 0.00 H new ATOM 545 N CYS A 35 5.426 -9.898 1.794 1.00 0.00 N ATOM 546 CA CYS A 35 6.875 -9.727 1.838 1.00 0.00 C ATOM 547 C CYS A 35 7.305 -8.462 1.095 1.00 0.00 C ATOM 548 O CYS A 35 6.969 -8.266 -0.076 1.00 0.00 O ATOM 549 CB CYS A 35 7.577 -10.960 1.252 1.00 0.00 C ATOM 550 SG CYS A 35 6.686 -12.531 1.525 1.00 0.00 S ATOM 0 H CYS A 35 5.055 -10.132 0.873 1.00 0.00 H new ATOM 0 HA CYS A 35 7.170 -9.619 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.710 -10.813 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.572 -11.039 1.689 1.00 0.00 H new ATOM 555 N GLY A 36 8.050 -7.605 1.787 1.00 0.00 N ATOM 556 CA GLY A 36 8.514 -6.371 1.183 1.00 0.00 C ATOM 557 C GLY A 36 7.577 -5.208 1.449 1.00 0.00 C ATOM 558 O GLY A 36 6.970 -4.667 0.525 1.00 0.00 O ATOM 0 H GLY A 36 8.340 -7.744 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.505 -6.131 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.617 -6.513 0.107 1.00 0.00 H new ATOM 562 N GLY A 37 7.457 -4.824 2.715 1.00 0.00 N ATOM 563 CA GLY A 37 6.585 -3.721 3.075 1.00 0.00 C ATOM 564 C GLY A 37 7.076 -2.970 4.297 1.00 0.00 C ATOM 565 O GLY A 37 7.673 -3.560 5.198 1.00 0.00 O ATOM 0 H GLY A 37 7.947 -5.256 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.510 -3.031 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.582 -4.102 3.265 1.00 0.00 H new ATOM 569 N ASN A 38 6.825 -1.665 4.329 1.00 0.00 N ATOM 570 CA ASN A 38 7.247 -0.833 5.450 1.00 0.00 C ATOM 571 C ASN A 38 6.126 0.110 5.885 1.00 0.00 C ATOM 572 O ASN A 38 5.397 -0.179 6.835 1.00 0.00 O ATOM 573 CB ASN A 38 8.504 -0.031 5.086 1.00 0.00 C ATOM 574 CG ASN A 38 8.587 0.294 3.607 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.617 0.760 3.007 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.747 0.049 3.010 1.00 0.00 N ATOM 0 H ASN A 38 6.332 -1.161 3.592 1.00 0.00 H new ATOM 0 HA ASN A 38 7.483 -1.492 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.516 0.897 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.388 -0.597 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.861 0.247 2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.524 -0.337 3.545 1.00 0.00 H new ATOM 583 N GLY A 39 5.994 1.235 5.190 1.00 0.00 N ATOM 584 CA GLY A 39 4.960 2.197 5.526 1.00 0.00 C ATOM 585 C GLY A 39 4.147 2.637 4.322 1.00 0.00 C ATOM 586 O GLY A 39 3.236 3.456 4.451 1.00 0.00 O ATOM 0 H GLY A 39 6.584 1.498 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.292 1.760 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.420 3.071 5.986 1.00 0.00 H new ATOM 590 N ASN A 40 4.473 2.101 3.149 1.00 0.00 N ATOM 591 CA ASN A 40 3.760 2.451 1.927 1.00 0.00 C ATOM 592 C ASN A 40 2.571 1.521 1.704 1.00 0.00 C ATOM 593 O ASN A 40 1.578 1.906 1.089 1.00 0.00 O ATOM 594 CB ASN A 40 4.709 2.391 0.727 1.00 0.00 C ATOM 595 CG ASN A 40 4.023 2.748 -0.578 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.488 1.881 -1.269 1.00 0.00 O ATOM 597 ND2 ASN A 40 4.036 4.031 -0.921 1.00 0.00 N ATOM 0 H ASN A 40 5.225 1.424 3.020 1.00 0.00 H new ATOM 0 HA ASN A 40 3.383 3.468 2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.543 3.073 0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.128 1.388 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.591 4.332 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.491 4.716 -0.317 1.00 0.00 H new ATOM 604 N LYS A 41 2.680 0.294 2.205 1.00 0.00 N ATOM 605 CA LYS A 41 1.613 -0.690 2.057 1.00 0.00 C ATOM 606 C LYS A 41 0.500 -0.448 3.072 1.00 0.00 C ATOM 607 O LYS A 41 0.730 0.119 4.140 1.00 0.00 O ATOM 608 CB LYS A 41 2.169 -2.105 2.224 1.00 0.00 C ATOM 609 CG LYS A 41 2.919 -2.316 3.531 1.00 0.00 C ATOM 610 CD LYS A 41 2.159 -3.239 4.469 1.00 0.00 C ATOM 611 CE LYS A 41 3.097 -3.957 5.427 1.00 0.00 C ATOM 612 NZ LYS A 41 2.357 -4.837 6.373 1.00 0.00 N ATOM 0 H LYS A 41 3.496 -0.042 2.717 1.00 0.00 H new ATOM 0 HA LYS A 41 1.195 -0.585 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.347 -2.818 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.838 -2.324 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.903 -2.737 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.081 -1.354 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.430 -2.662 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.601 -3.972 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.810 -4.554 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.673 -3.223 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.032 -5.308 7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.695 -4.264 6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.827 -5.554 5.838 1.00 0.00 H new ATOM 626 N PHE A 42 -0.708 -0.885 2.730 1.00 0.00 N ATOM 627 CA PHE A 42 -1.861 -0.721 3.608 1.00 0.00 C ATOM 628 C PHE A 42 -2.906 -1.800 3.337 1.00 0.00 C ATOM 629 O PHE A 42 -3.060 -2.256 2.204 1.00 0.00 O ATOM 630 CB PHE A 42 -2.477 0.666 3.423 1.00 0.00 C ATOM 631 CG PHE A 42 -1.942 1.691 4.383 1.00 0.00 C ATOM 632 CD1 PHE A 42 -0.797 2.410 4.082 1.00 0.00 C ATOM 633 CD2 PHE A 42 -2.585 1.934 5.586 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.302 3.353 4.964 1.00 0.00 C ATOM 635 CE2 PHE A 42 -2.095 2.875 6.472 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.952 3.585 6.160 1.00 0.00 C ATOM 0 H PHE A 42 -0.914 -1.356 1.849 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.521 -0.822 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.293 1.004 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.558 0.594 3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.285 2.232 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.479 1.382 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.592 3.907 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.605 3.055 7.407 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.567 4.321 6.851 1.00 0.00 H new ATOM 646 N PRO A 43 -3.638 -2.231 4.380 1.00 0.00 N ATOM 647 CA PRO A 43 -4.665 -3.269 4.249 1.00 0.00 C ATOM 648 C PRO A 43 -5.961 -2.748 3.635 1.00 0.00 C ATOM 649 O PRO A 43 -6.545 -3.389 2.763 1.00 0.00 O ATOM 650 CB PRO A 43 -4.898 -3.705 5.694 1.00 0.00 C ATOM 651 CG PRO A 43 -4.599 -2.491 6.505 1.00 0.00 C ATOM 652 CD PRO A 43 -3.513 -1.750 5.769 1.00 0.00 C ATOM 0 HA PRO A 43 -4.348 -4.072 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.924 -4.041 5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.247 -4.535 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.487 -1.869 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.273 -2.764 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.651 -0.671 5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.528 -1.970 6.181 1.00 0.00 H new ATOM 660 N THR A 44 -6.415 -1.587 4.100 1.00 0.00 N ATOM 661 CA THR A 44 -7.649 -0.994 3.596 1.00 0.00 C ATOM 662 C THR A 44 -7.374 0.300 2.838 1.00 0.00 C ATOM 663 O THR A 44 -6.387 0.989 3.097 1.00 0.00 O ATOM 664 CB THR A 44 -8.617 -0.726 4.749 1.00 0.00 C ATOM 665 OG1 THR A 44 -7.909 -0.395 5.932 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.514 -1.903 5.065 1.00 0.00 C ATOM 0 H THR A 44 -5.948 -1.040 4.823 1.00 0.00 H new ATOM 0 HA THR A 44 -8.101 -1.704 2.903 1.00 0.00 H new ATOM 0 HB THR A 44 -9.240 0.104 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.546 -0.225 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.175 -1.645 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.111 -2.152 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.903 -2.762 5.343 1.00 0.00 H new ATOM 674 N GLN A 45 -8.261 0.625 1.904 1.00 0.00 N ATOM 675 CA GLN A 45 -8.127 1.837 1.105 1.00 0.00 C ATOM 676 C GLN A 45 -8.461 3.078 1.929 1.00 0.00 C ATOM 677 O GLN A 45 -8.044 4.187 1.597 1.00 0.00 O ATOM 678 CB GLN A 45 -9.043 1.767 -0.119 1.00 0.00 C ATOM 679 CG GLN A 45 -8.547 2.585 -1.300 1.00 0.00 C ATOM 680 CD GLN A 45 -9.659 3.364 -1.976 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.759 2.850 -2.176 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.376 4.612 -2.331 1.00 0.00 N ATOM 0 H GLN A 45 -9.083 0.064 1.681 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.090 1.910 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.145 0.726 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.037 2.116 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.777 3.278 -0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.079 1.921 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.450 4.998 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.085 5.185 -2.789 1.00 0.00 H new ATOM 691 N GLU A 46 -9.217 2.884 3.007 1.00 0.00 N ATOM 692 CA GLU A 46 -9.605 3.988 3.876 1.00 0.00 C ATOM 693 C GLU A 46 -8.393 4.563 4.601 1.00 0.00 C ATOM 694 O GLU A 46 -8.363 5.748 4.936 1.00 0.00 O ATOM 695 CB GLU A 46 -10.646 3.520 4.894 1.00 0.00 C ATOM 696 CG GLU A 46 -10.169 2.373 5.770 1.00 0.00 C ATOM 697 CD GLU A 46 -10.645 2.497 7.203 1.00 0.00 C ATOM 698 OE1 GLU A 46 -9.980 3.201 7.992 1.00 0.00 O ATOM 699 OE2 GLU A 46 -11.685 1.892 7.538 1.00 0.00 O ATOM 0 H GLU A 46 -9.572 1.973 3.298 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.039 4.771 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.923 4.361 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.547 3.211 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.524 1.431 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.080 2.338 5.755 1.00 0.00 H new ATOM 706 N ALA A 47 -7.395 3.718 4.841 1.00 0.00 N ATOM 707 CA ALA A 47 -6.182 4.145 5.526 1.00 0.00 C ATOM 708 C ALA A 47 -5.273 4.938 4.593 1.00 0.00 C ATOM 709 O ALA A 47 -4.827 6.034 4.930 1.00 0.00 O ATOM 710 CB ALA A 47 -5.444 2.940 6.088 1.00 0.00 C ATOM 0 H ALA A 47 -7.403 2.734 4.571 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.470 4.799 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.539 3.272 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.087 2.417 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.175 2.266 5.275 1.00 0.00 H new ATOM 716 N CYS A 48 -5.000 4.375 3.420 1.00 0.00 N ATOM 717 CA CYS A 48 -4.140 5.030 2.440 1.00 0.00 C ATOM 718 C CYS A 48 -4.696 6.398 2.051 1.00 0.00 C ATOM 719 O CYS A 48 -3.941 7.335 1.792 1.00 0.00 O ATOM 720 CB CYS A 48 -3.988 4.151 1.195 1.00 0.00 C ATOM 721 SG CYS A 48 -5.493 4.030 0.173 1.00 0.00 S ATOM 0 H CYS A 48 -5.361 3.468 3.125 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.160 5.176 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.178 4.546 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.693 3.149 1.506 1.00 0.00 H new ATOM 726 N MET A 49 -6.020 6.502 2.008 1.00 0.00 N ATOM 727 CA MET A 49 -6.676 7.754 1.648 1.00 0.00 C ATOM 728 C MET A 49 -6.648 8.742 2.810 1.00 0.00 C ATOM 729 O MET A 49 -6.602 9.954 2.607 1.00 0.00 O ATOM 730 CB MET A 49 -8.122 7.491 1.225 1.00 0.00 C ATOM 731 CG MET A 49 -8.269 7.109 -0.238 1.00 0.00 C ATOM 732 SD MET A 49 -9.741 7.818 -0.999 1.00 0.00 S ATOM 733 CE MET A 49 -9.020 8.668 -2.401 1.00 0.00 C ATOM 0 H MET A 49 -6.659 5.735 2.218 1.00 0.00 H new ATOM 0 HA MET A 49 -6.131 8.191 0.812 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.533 6.693 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.717 8.383 1.420 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.387 7.440 -0.786 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.308 6.023 -0.323 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.807 9.159 -2.973 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.309 9.415 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.504 7.948 -3.037 1.00 0.00 H new ATOM 743 N LYS A 50 -6.679 8.215 4.027 1.00 0.00 N ATOM 744 CA LYS A 50 -6.661 9.049 5.223 1.00 0.00 C ATOM 745 C LYS A 50 -5.233 9.320 5.697 1.00 0.00 C ATOM 746 O LYS A 50 -5.025 10.007 6.696 1.00 0.00 O ATOM 747 CB LYS A 50 -7.460 8.376 6.341 1.00 0.00 C ATOM 748 CG LYS A 50 -7.621 9.234 7.584 1.00 0.00 C ATOM 749 CD LYS A 50 -8.432 8.518 8.653 1.00 0.00 C ATOM 750 CE LYS A 50 -7.660 7.352 9.248 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.113 7.679 10.595 1.00 0.00 N ATOM 0 H LYS A 50 -6.717 7.213 4.213 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.119 10.005 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.448 8.114 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.967 7.444 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.639 9.489 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.112 10.171 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.697 9.221 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.365 8.156 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.314 6.483 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.843 7.079 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.593 6.859 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.469 8.492 10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.895 7.915 11.239 1.00 0.00 H new ATOM 765 N ARG A 51 -4.249 8.773 4.988 1.00 0.00 N ATOM 766 CA ARG A 51 -2.852 8.961 5.363 1.00 0.00 C ATOM 767 C ARG A 51 -2.151 9.974 4.461 1.00 0.00 C ATOM 768 O ARG A 51 -1.530 10.920 4.944 1.00 0.00 O ATOM 769 CB ARG A 51 -2.108 7.625 5.318 1.00 0.00 C ATOM 770 CG ARG A 51 -0.998 7.511 6.348 1.00 0.00 C ATOM 771 CD ARG A 51 -1.553 7.463 7.764 1.00 0.00 C ATOM 772 NE ARG A 51 -2.498 6.363 7.943 1.00 0.00 N ATOM 773 CZ ARG A 51 -3.294 6.235 9.003 1.00 0.00 C ATOM 774 NH1 ARG A 51 -3.263 7.136 9.978 1.00 0.00 N ATOM 775 NH2 ARG A 51 -4.124 5.205 9.087 1.00 0.00 N ATOM 0 H ARG A 51 -4.392 8.200 4.156 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.838 9.354 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.822 6.816 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.684 7.488 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.412 6.612 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.321 8.360 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.732 7.354 8.472 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.048 8.407 7.992 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.551 5.652 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.627 7.931 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.875 7.033 10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.153 4.511 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.734 5.106 9.899 1.00 0.00 H new ATOM 789 N CYS A 52 -2.237 9.765 3.149 1.00 0.00 N ATOM 790 CA CYS A 52 -1.588 10.661 2.193 1.00 0.00 C ATOM 791 C CYS A 52 -2.601 11.398 1.319 1.00 0.00 C ATOM 792 O CYS A 52 -2.301 12.461 0.775 1.00 0.00 O ATOM 793 CB CYS A 52 -0.613 9.875 1.313 1.00 0.00 C ATOM 794 SG CYS A 52 0.971 10.725 1.013 1.00 0.00 S ATOM 0 H CYS A 52 -2.746 8.989 2.725 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.041 11.410 2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.413 8.912 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.090 9.670 0.355 1.00 0.00 H new ATOM 799 N ALA A 53 -3.798 10.835 1.179 1.00 0.00 N ATOM 800 CA ALA A 53 -4.835 11.455 0.363 1.00 0.00 C ATOM 801 C ALA A 53 -5.646 12.471 1.163 1.00 0.00 C ATOM 802 O ALA A 53 -6.425 13.238 0.597 1.00 0.00 O ATOM 803 CB ALA A 53 -5.750 10.394 -0.229 1.00 0.00 C ATOM 0 H ALA A 53 -4.072 9.956 1.618 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.342 11.990 -0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.519 10.873 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.166 9.717 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.222 9.830 0.576 1.00 0.00 H new ATOM 809 N LYS A 54 -5.462 12.477 2.481 1.00 0.00 N ATOM 810 CA LYS A 54 -6.181 13.405 3.344 1.00 0.00 C ATOM 811 C LYS A 54 -5.237 14.459 3.914 1.00 0.00 C ATOM 812 O LYS A 54 -5.455 15.659 3.745 1.00 0.00 O ATOM 813 CB LYS A 54 -6.870 12.651 4.483 1.00 0.00 C ATOM 814 CG LYS A 54 -8.308 12.264 4.173 1.00 0.00 C ATOM 815 CD LYS A 54 -9.242 12.615 5.321 1.00 0.00 C ATOM 816 CE LYS A 54 -10.585 13.114 4.812 1.00 0.00 C ATOM 817 NZ LYS A 54 -11.668 12.915 5.815 1.00 0.00 N ATOM 0 H LYS A 54 -4.823 11.851 2.972 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.939 13.907 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.300 11.750 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.854 13.270 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.636 12.775 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.362 11.194 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.393 11.738 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.781 13.380 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.509 14.173 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.842 12.590 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.567 13.268 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.758 11.902 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.436 13.436 6.685 1.00 0.00 H new ATOM 831 N ALA A 55 -4.187 14.003 4.590 1.00 0.00 N ATOM 832 CA ALA A 55 -3.209 14.906 5.184 1.00 0.00 C ATOM 833 C ALA A 55 -2.506 15.734 4.115 1.00 0.00 C ATOM 834 O ALA A 55 -2.213 15.180 3.034 1.00 0.00 O ATOM 835 CB ALA A 55 -2.194 14.120 6.000 1.00 0.00 C ATOM 836 OXT ALA A 55 -2.252 16.931 4.367 1.00 0.00 O ATOM 0 H ALA A 55 -3.992 13.013 4.740 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.738 15.592 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.469 14.806 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.707 13.578 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.677 13.411 5.353 1.00 0.00 H new TER 842 ALA A 55