USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 19 ASN : amide:sc= 0.29 K(o=0.42,f=-0.75) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.126 K(o=0.42,f=-0.61) USER MOD Single : A 1 LEU N :NH3+ -155:sc= 2.24 (180deg=0.831) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.14 K(o=-1.1,f=0.13) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.266) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -124:sc=-0.00691 (180deg=-1.5!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.142 (180deg=0.0919) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 60 ASN : amide:sc= 0.103 K(o=0.1,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.148 10.704 0.468 1.00 2.00 N ATOM 2 CA LEU A 1 0.284 11.584 -0.359 1.00 2.00 C ATOM 3 C LEU A 1 -1.238 11.201 -0.314 1.00 2.00 C ATOM 4 O LEU A 1 -1.647 10.422 0.555 1.00 2.00 O ATOM 5 CB LEU A 1 0.964 11.805 -1.740 1.00 2.00 C ATOM 6 CG LEU A 1 1.320 10.597 -2.637 1.00 2.00 C ATOM 7 CD1 LEU A 1 0.172 9.618 -2.874 1.00 2.00 C ATOM 8 CD2 LEU A 1 1.856 11.095 -3.988 1.00 2.00 C ATOM 0 H1 LEU A 1 2.009 11.219 0.740 1.00 2.00 H new ATOM 0 H2 LEU A 1 0.632 10.416 1.324 1.00 2.00 H new ATOM 0 H3 LEU A 1 1.408 9.859 -0.080 1.00 2.00 H new ATOM 0 HA LEU A 1 0.213 12.581 0.075 1.00 2.00 H new ATOM 0 HB2 LEU A 1 0.311 12.457 -2.321 1.00 2.00 H new ATOM 0 HB3 LEU A 1 1.887 12.357 -1.561 1.00 2.00 H new ATOM 0 HG LEU A 1 2.081 10.039 -2.091 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.514 8.804 -3.513 1.00 2.00 H new ATOM 0 HD12 LEU A 1 -0.164 9.213 -1.919 1.00 2.00 H new ATOM 0 HD13 LEU A 1 -0.655 10.137 -3.359 1.00 2.00 H new ATOM 0 HD21 LEU A 1 2.106 10.241 -4.617 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.094 11.699 -4.481 1.00 2.00 H new ATOM 0 HD23 LEU A 1 2.749 11.699 -3.825 1.00 2.00 H new ATOM 22 N LYS A 2 -2.095 11.779 -1.180 1.00 2.00 N ATOM 23 CA LYS A 2 -3.556 11.468 -1.206 1.00 2.00 C ATOM 24 C LYS A 2 -3.801 10.006 -1.722 1.00 2.00 C ATOM 25 O LYS A 2 -3.258 9.623 -2.757 1.00 2.00 O ATOM 26 CB LYS A 2 -4.276 12.480 -2.140 1.00 2.00 C ATOM 27 CG LYS A 2 -4.462 13.920 -1.603 1.00 2.00 C ATOM 28 CD LYS A 2 -5.771 14.128 -0.804 1.00 2.00 C ATOM 29 CE LYS A 2 -7.069 14.206 -1.635 1.00 2.00 C ATOM 30 NZ LYS A 2 -7.159 15.473 -2.389 1.00 2.00 N ATOM 0 H LYS A 2 -1.808 12.467 -1.876 1.00 2.00 H new ATOM 0 HA LYS A 2 -3.954 11.548 -0.194 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -3.717 12.536 -3.074 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.260 12.078 -2.381 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -3.615 14.171 -0.965 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -4.446 14.615 -2.442 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -5.870 13.311 -0.089 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -5.678 15.048 -0.226 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -7.108 13.366 -2.329 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -7.931 14.114 -0.974 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -8.044 15.490 -2.935 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -7.147 16.274 -1.725 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -6.350 15.549 -3.038 1.00 2.00 H new ATOM 43 N CYS A 3 -4.594 9.185 -1.029 1.00 2.00 N ATOM 44 CA CYS A 3 -4.881 7.781 -1.441 1.00 2.00 C ATOM 45 C CYS A 3 -6.395 7.372 -1.339 1.00 2.00 C ATOM 46 O CYS A 3 -7.282 8.211 -1.183 1.00 2.00 O ATOM 47 CB CYS A 3 -3.904 6.923 -0.594 1.00 2.00 C ATOM 48 SG CYS A 3 -2.172 7.291 -0.962 1.00 2.00 S ATOM 0 H CYS A 3 -5.062 9.461 -0.165 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.711 7.627 -2.507 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.094 7.099 0.465 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.096 5.866 -0.781 1.00 2.00 H new ATOM 53 N ASN A 4 -6.692 6.074 -1.494 1.00 2.00 N ATOM 54 CA ASN A 4 -8.065 5.498 -1.429 1.00 2.00 C ATOM 55 C ASN A 4 -8.092 4.278 -0.461 1.00 2.00 C ATOM 56 O ASN A 4 -7.201 3.432 -0.542 1.00 2.00 O ATOM 57 CB ASN A 4 -8.531 4.875 -2.793 1.00 2.00 C ATOM 58 CG ASN A 4 -8.702 5.686 -4.065 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.631 5.547 -4.844 1.00 2.00 O ATOM 60 ND2 ASN A 4 -7.745 6.464 -4.415 1.00 2.00 N ATOM 0 H ASN A 4 -5.976 5.370 -1.673 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.701 6.329 -1.124 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.822 4.081 -3.027 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.492 4.397 -2.601 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -7.779 6.940 -5.316 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -6.950 6.607 -3.792 1.00 2.00 H new ATOM 67 N LYS A 5 -9.061 4.170 0.462 1.00 2.00 N ATOM 68 CA LYS A 5 -9.136 3.001 1.401 1.00 2.00 C ATOM 69 C LYS A 5 -9.888 1.821 0.644 1.00 2.00 C ATOM 70 O LYS A 5 -10.368 2.018 -0.479 1.00 2.00 O ATOM 71 CB LYS A 5 -9.677 3.431 2.796 1.00 2.00 C ATOM 72 CG LYS A 5 -11.197 3.326 3.077 1.00 2.00 C ATOM 73 CD LYS A 5 -11.643 3.960 4.409 1.00 2.00 C ATOM 74 CE LYS A 5 -11.181 3.193 5.659 1.00 2.00 C ATOM 75 NZ LYS A 5 -11.829 3.777 6.850 1.00 2.00 N ATOM 0 H LYS A 5 -9.802 4.859 0.591 1.00 2.00 H new ATOM 0 HA LYS A 5 -8.156 2.602 1.662 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.161 2.833 3.547 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.383 4.468 2.957 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.739 3.805 2.261 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.483 2.274 3.076 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -11.260 4.979 4.460 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -12.731 4.028 4.420 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -11.439 2.138 5.570 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -10.097 3.249 5.755 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -11.521 3.263 7.700 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -11.561 4.778 6.935 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -12.862 3.702 6.755 1.00 2.00 H new ATOM 88 N LEU A 6 -9.986 0.581 1.168 1.00 2.00 N ATOM 89 CA LEU A 6 -10.693 -0.554 0.459 1.00 2.00 C ATOM 90 C LEU A 6 -12.059 -0.279 -0.258 1.00 2.00 C ATOM 91 O LEU A 6 -12.265 -0.767 -1.370 1.00 2.00 O ATOM 92 CB LEU A 6 -10.990 -1.705 1.467 1.00 2.00 C ATOM 93 CG LEU A 6 -9.822 -2.550 1.995 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.404 -3.626 2.929 1.00 2.00 C ATOM 95 CD2 LEU A 6 -9.057 -3.217 0.846 1.00 2.00 C ATOM 0 H LEU A 6 -9.593 0.322 2.073 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.977 -0.779 -0.332 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.495 -1.267 2.328 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.699 -2.383 0.993 1.00 2.00 H new ATOM 0 HG LEU A 6 -9.120 -1.910 2.529 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.596 -4.244 3.321 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.927 -3.146 3.756 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -11.102 -4.252 2.373 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.236 -3.809 1.251 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -9.732 -3.867 0.288 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.659 -2.451 0.181 1.00 2.00 H new ATOM 107 N ILE A 7 -12.969 0.474 0.391 1.00 2.00 N ATOM 108 CA ILE A 7 -14.316 0.831 -0.148 1.00 2.00 C ATOM 109 C ILE A 7 -14.239 1.367 -1.635 1.00 2.00 C ATOM 110 O ILE A 7 -13.384 2.233 -1.855 1.00 2.00 O ATOM 111 CB ILE A 7 -15.009 1.847 0.843 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.085 1.422 2.345 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.422 2.311 0.403 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.801 0.092 2.652 1.00 2.00 C ATOM 0 H ILE A 7 -12.796 0.862 1.318 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.933 -0.066 -0.207 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.307 2.678 0.776 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -14.068 1.359 2.733 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -15.588 2.215 2.898 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.823 3.006 1.141 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -16.357 2.807 -0.565 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -17.081 1.446 0.324 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.786 -0.090 3.727 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -16.834 0.147 2.307 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.290 -0.723 2.139 1.00 2.00 H new ATOM 126 N PRO A 8 -15.055 0.907 -2.642 1.00 2.00 N ATOM 127 CA PRO A 8 -15.011 1.383 -4.061 1.00 2.00 C ATOM 128 C PRO A 8 -14.282 2.708 -4.457 1.00 2.00 C ATOM 129 O PRO A 8 -13.220 2.654 -5.087 1.00 2.00 O ATOM 130 CB PRO A 8 -16.475 1.205 -4.494 1.00 2.00 C ATOM 131 CG PRO A 8 -16.897 -0.079 -3.774 1.00 2.00 C ATOM 132 CD PRO A 8 -16.189 -0.017 -2.417 1.00 2.00 C ATOM 0 HA PRO A 8 -14.290 0.804 -4.638 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.089 2.055 -4.196 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -16.566 1.109 -5.576 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.979 -0.128 -3.654 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.599 -0.964 -4.336 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.855 0.352 -1.637 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.844 -1.002 -2.102 1.00 2.00 H new ATOM 140 N ILE A 9 -14.815 3.869 -4.047 1.00 2.00 N ATOM 141 CA ILE A 9 -14.206 5.197 -4.358 1.00 2.00 C ATOM 142 C ILE A 9 -13.159 5.569 -3.244 1.00 2.00 C ATOM 143 O ILE A 9 -11.964 5.544 -3.523 1.00 2.00 O ATOM 144 CB ILE A 9 -15.321 6.237 -4.744 1.00 2.00 C ATOM 145 CG1 ILE A 9 -14.720 7.507 -5.410 1.00 2.00 C ATOM 146 CG2 ILE A 9 -16.308 6.627 -3.609 1.00 2.00 C ATOM 147 CD1 ILE A 9 -15.723 8.345 -6.225 1.00 2.00 C ATOM 0 H ILE A 9 -15.671 3.928 -3.496 1.00 2.00 H new ATOM 0 HA ILE A 9 -13.598 5.185 -5.262 1.00 2.00 H new ATOM 0 HB ILE A 9 -15.931 5.698 -5.469 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -14.288 8.138 -4.633 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -13.903 7.204 -6.066 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -17.032 7.348 -3.988 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -16.831 5.737 -3.260 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -15.754 7.070 -2.781 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -15.213 9.209 -6.651 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -16.138 7.736 -7.028 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -16.528 8.684 -5.573 1.00 2.00 H new ATOM 159 N ALA A 10 -13.574 5.922 -2.013 1.00 2.00 N ATOM 160 CA ALA A 10 -12.680 6.290 -0.872 1.00 2.00 C ATOM 161 C ALA A 10 -11.566 7.396 -1.008 1.00 2.00 C ATOM 162 O ALA A 10 -10.989 7.635 -2.073 1.00 2.00 O ATOM 163 CB ALA A 10 -12.151 4.974 -0.285 1.00 2.00 C ATOM 0 H ALA A 10 -14.563 5.964 -1.767 1.00 2.00 H new ATOM 0 HA ALA A 10 -13.327 6.862 -0.207 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -11.490 5.190 0.555 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.988 4.366 0.059 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.598 4.430 -1.051 1.00 2.00 H new ATOM 169 N SER A 11 -11.227 8.059 0.118 1.00 2.00 N ATOM 170 CA SER A 11 -10.191 9.132 0.147 1.00 2.00 C ATOM 171 C SER A 11 -9.404 9.226 1.498 1.00 2.00 C ATOM 172 O SER A 11 -9.976 9.214 2.589 1.00 2.00 O ATOM 173 CB SER A 11 -10.873 10.482 -0.199 1.00 2.00 C ATOM 174 OG SER A 11 -9.904 11.518 -0.383 1.00 2.00 O ATOM 0 H SER A 11 -11.653 7.874 1.026 1.00 2.00 H new ATOM 0 HA SER A 11 -9.434 8.879 -0.596 1.00 2.00 H new ATOM 0 HB2 SER A 11 -11.467 10.371 -1.106 1.00 2.00 H new ATOM 0 HB3 SER A 11 -11.560 10.761 0.600 1.00 2.00 H new ATOM 0 HG SER A 11 -10.360 12.357 -0.602 1.00 2.00 H new ATOM 180 N LYS A 12 -8.078 9.365 1.392 1.00 2.00 N ATOM 181 CA LYS A 12 -7.130 9.479 2.540 1.00 2.00 C ATOM 182 C LYS A 12 -6.119 10.628 2.212 1.00 2.00 C ATOM 183 O LYS A 12 -5.616 10.679 1.092 1.00 2.00 O ATOM 184 CB LYS A 12 -6.427 8.098 2.694 1.00 2.00 C ATOM 185 CG LYS A 12 -5.505 7.976 3.929 1.00 2.00 C ATOM 186 CD LYS A 12 -4.613 6.721 3.896 1.00 2.00 C ATOM 187 CE LYS A 12 -3.807 6.583 5.196 1.00 2.00 C ATOM 188 NZ LYS A 12 -2.803 5.509 5.068 1.00 2.00 N ATOM 0 H LYS A 12 -7.608 9.404 0.488 1.00 2.00 H new ATOM 0 HA LYS A 12 -7.624 9.724 3.480 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -7.190 7.321 2.749 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -5.838 7.903 1.798 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -4.873 8.862 3.992 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -6.117 7.956 4.831 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -5.231 5.835 3.752 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -3.932 6.777 3.046 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -3.312 7.526 5.426 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -4.479 6.364 6.026 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -2.520 5.184 6.014 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -3.211 4.714 4.536 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -1.969 5.872 4.563 1.00 2.00 H new ATOM 201 N THR A 13 -5.794 11.544 3.138 1.00 2.00 N ATOM 202 CA THR A 13 -4.828 12.665 2.871 1.00 2.00 C ATOM 203 C THR A 13 -3.566 12.554 3.793 1.00 2.00 C ATOM 204 O THR A 13 -3.635 12.844 4.989 1.00 2.00 O ATOM 205 CB THR A 13 -5.572 14.036 2.915 1.00 2.00 C ATOM 206 OG1 THR A 13 -4.685 15.066 2.505 1.00 2.00 O ATOM 207 CG2 THR A 13 -6.180 14.499 4.250 1.00 2.00 C ATOM 0 H THR A 13 -6.177 11.546 4.084 1.00 2.00 H new ATOM 0 HA THR A 13 -4.429 12.586 1.860 1.00 2.00 H new ATOM 0 HB THR A 13 -6.420 13.858 2.254 1.00 2.00 H new ATOM 0 HG1 THR A 13 -5.151 15.928 2.530 1.00 2.00 H new ATOM 0 HG21 THR A 13 -6.661 15.468 4.114 1.00 2.00 H new ATOM 0 HG22 THR A 13 -6.919 13.771 4.585 1.00 2.00 H new ATOM 0 HG23 THR A 13 -5.392 14.587 4.998 1.00 2.00 H new ATOM 215 N CYS A 14 -2.413 12.110 3.249 1.00 2.00 N ATOM 216 CA CYS A 14 -1.143 11.964 4.031 1.00 2.00 C ATOM 217 C CYS A 14 0.074 12.777 3.414 1.00 2.00 C ATOM 218 O CYS A 14 -0.027 13.209 2.262 1.00 2.00 O ATOM 219 CB CYS A 14 -0.959 10.455 4.361 1.00 2.00 C ATOM 220 SG CYS A 14 0.470 9.684 3.589 1.00 2.00 S ATOM 0 H CYS A 14 -2.324 11.843 2.269 1.00 2.00 H new ATOM 0 HA CYS A 14 -1.194 12.464 4.998 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -0.876 10.341 5.442 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.856 9.918 4.052 1.00 2.00 H new ATOM 225 N PRO A 15 1.256 12.983 4.071 1.00 2.00 N ATOM 226 CA PRO A 15 2.399 13.762 3.479 1.00 2.00 C ATOM 227 C PRO A 15 3.183 13.361 2.190 1.00 2.00 C ATOM 228 O PRO A 15 3.036 12.259 1.655 1.00 2.00 O ATOM 229 CB PRO A 15 3.364 13.839 4.688 1.00 2.00 C ATOM 230 CG PRO A 15 2.493 13.708 5.931 1.00 2.00 C ATOM 231 CD PRO A 15 1.437 12.693 5.512 1.00 2.00 C ATOM 0 HA PRO A 15 1.948 14.656 3.049 1.00 2.00 H new ATOM 0 HB2 PRO A 15 4.106 13.042 4.646 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.910 14.783 4.692 1.00 2.00 H new ATOM 0 HG2 PRO A 15 3.067 13.360 6.790 1.00 2.00 H new ATOM 0 HG3 PRO A 15 2.046 14.662 6.211 1.00 2.00 H new ATOM 0 HD2 PRO A 15 1.771 11.669 5.680 1.00 2.00 H new ATOM 0 HD3 PRO A 15 0.509 12.821 6.070 1.00 2.00 H new ATOM 239 N ALA A 16 3.989 14.310 1.658 1.00 2.00 N ATOM 240 CA ALA A 16 4.825 14.098 0.433 1.00 2.00 C ATOM 241 C ALA A 16 5.984 13.090 0.768 1.00 2.00 C ATOM 242 O ALA A 16 6.180 12.735 1.941 1.00 2.00 O ATOM 243 CB ALA A 16 5.306 15.496 0.002 1.00 2.00 C ATOM 0 H ALA A 16 4.084 15.244 2.058 1.00 2.00 H new ATOM 0 HA ALA A 16 4.282 13.647 -0.397 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.924 15.409 -0.891 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.444 16.127 -0.214 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.891 15.943 0.806 1.00 2.00 H new ATOM 249 N GLY A 17 6.813 12.624 -0.190 1.00 2.00 N ATOM 250 CA GLY A 17 7.903 11.635 0.172 1.00 2.00 C ATOM 251 C GLY A 17 7.247 10.219 0.153 1.00 2.00 C ATOM 252 O GLY A 17 7.722 9.307 -0.529 1.00 2.00 O ATOM 0 H GLY A 17 6.772 12.886 -1.175 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.727 11.689 -0.539 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.316 11.857 1.156 1.00 2.00 H new ATOM 256 N LYS A 18 6.117 10.074 0.897 1.00 2.00 N ATOM 257 CA LYS A 18 5.301 8.844 1.029 1.00 2.00 C ATOM 258 C LYS A 18 4.423 8.778 -0.304 1.00 2.00 C ATOM 259 O LYS A 18 3.186 8.821 -0.293 1.00 2.00 O ATOM 260 CB LYS A 18 4.414 8.991 2.305 1.00 2.00 C ATOM 261 CG LYS A 18 5.113 9.094 3.685 1.00 2.00 C ATOM 262 CD LYS A 18 5.213 7.753 4.432 1.00 2.00 C ATOM 263 CE LYS A 18 5.971 7.898 5.758 1.00 2.00 C ATOM 264 NZ LYS A 18 6.024 6.594 6.449 1.00 2.00 N ATOM 0 H LYS A 18 5.737 10.847 1.443 1.00 2.00 H new ATOM 0 HA LYS A 18 5.887 7.932 1.139 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.797 9.881 2.179 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.738 8.137 2.339 1.00 2.00 H new ATOM 0 HG2 LYS A 18 6.116 9.497 3.545 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.568 9.805 4.306 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.212 7.368 4.625 1.00 2.00 H new ATOM 0 HD3 LYS A 18 5.719 7.022 3.801 1.00 2.00 H new ATOM 0 HE2 LYS A 18 6.981 8.263 5.572 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.477 8.636 6.391 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 6.539 6.698 7.347 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 5.057 6.263 6.640 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 6.514 5.902 5.847 1.00 2.00 H new ATOM 277 N ASN A 19 5.120 8.694 -1.454 1.00 2.00 N ATOM 278 CA ASN A 19 4.570 8.628 -2.828 1.00 2.00 C ATOM 279 C ASN A 19 3.649 7.447 -3.229 1.00 2.00 C ATOM 280 O ASN A 19 2.649 7.632 -3.923 1.00 2.00 O ATOM 281 CB ASN A 19 5.752 8.862 -3.820 1.00 2.00 C ATOM 282 CG ASN A 19 6.759 7.724 -4.025 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.620 6.906 -4.924 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.782 7.617 -3.217 1.00 2.00 N ATOM 0 H ASN A 19 6.140 8.669 -1.452 1.00 2.00 H new ATOM 0 HA ASN A 19 3.823 9.421 -2.874 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.327 9.110 -4.793 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.304 9.738 -3.480 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.452 6.858 -3.341 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.909 8.292 -2.463 1.00 2.00 H new ATOM 291 N LEU A 20 4.013 6.246 -2.802 1.00 2.00 N ATOM 292 CA LEU A 20 3.264 5.022 -3.089 1.00 2.00 C ATOM 293 C LEU A 20 1.914 4.873 -2.334 1.00 2.00 C ATOM 294 O LEU A 20 1.858 4.740 -1.109 1.00 2.00 O ATOM 295 CB LEU A 20 4.210 3.837 -2.755 1.00 2.00 C ATOM 296 CG LEU A 20 5.525 3.643 -3.563 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.321 2.463 -3.014 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.327 3.394 -5.057 1.00 2.00 C ATOM 0 H LEU A 20 4.848 6.088 -2.238 1.00 2.00 H new ATOM 0 HA LEU A 20 2.969 5.049 -4.138 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.485 3.927 -1.704 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.629 2.920 -2.855 1.00 2.00 H new ATOM 0 HG LEU A 20 6.053 4.589 -3.448 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.238 2.342 -3.591 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.572 2.648 -1.969 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.723 1.555 -3.088 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.298 3.271 -5.537 1.00 2.00 H new ATOM 0 HD22 LEU A 20 4.734 2.490 -5.200 1.00 2.00 H new ATOM 0 HD23 LEU A 20 4.807 4.243 -5.502 1.00 2.00 H new ATOM 310 N CYS A 21 0.800 4.930 -3.072 1.00 2.00 N ATOM 311 CA CYS A 21 -0.563 4.789 -2.504 1.00 2.00 C ATOM 312 C CYS A 21 -0.678 3.218 -2.432 1.00 2.00 C ATOM 313 O CYS A 21 -0.906 2.537 -3.439 1.00 2.00 O ATOM 314 CB CYS A 21 -1.548 5.500 -3.448 1.00 2.00 C ATOM 315 SG CYS A 21 -1.817 7.197 -2.937 1.00 2.00 S ATOM 0 H CYS A 21 0.808 5.075 -4.082 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.773 5.237 -1.533 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.160 5.480 -4.466 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.498 4.965 -3.459 1.00 2.00 H new ATOM 320 N TYR A 22 -0.419 2.634 -1.247 1.00 2.00 N ATOM 321 CA TYR A 22 -0.477 1.168 -1.047 1.00 2.00 C ATOM 322 C TYR A 22 -1.829 0.398 -1.187 1.00 2.00 C ATOM 323 O TYR A 22 -2.935 0.915 -1.061 1.00 2.00 O ATOM 324 CB TYR A 22 0.408 0.751 0.175 1.00 2.00 C ATOM 325 CG TYR A 22 -0.150 0.852 1.609 1.00 2.00 C ATOM 326 CD1 TYR A 22 -1.147 -0.012 2.078 1.00 2.00 C ATOM 327 CD2 TYR A 22 0.420 1.766 2.495 1.00 2.00 C ATOM 328 CE1 TYR A 22 -1.598 0.076 3.395 1.00 2.00 C ATOM 329 CE2 TYR A 22 -0.014 1.842 3.817 1.00 2.00 C ATOM 330 CZ TYR A 22 -1.025 1.000 4.263 1.00 2.00 C ATOM 331 OH TYR A 22 -1.456 1.092 5.557 1.00 2.00 O ATOM 0 H TYR A 22 -0.166 3.156 -0.408 1.00 2.00 H new ATOM 0 HA TYR A 22 -0.043 0.785 -1.971 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.708 -0.285 0.018 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.315 1.355 0.138 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.570 -0.752 1.415 1.00 2.00 H new ATOM 0 HD2 TYR A 22 1.207 2.422 2.153 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -2.390 -0.572 3.740 1.00 2.00 H new ATOM 0 HE2 TYR A 22 0.435 2.554 4.494 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.947 1.788 6.023 1.00 2.00 H new ATOM 341 N LYS A 23 -1.653 -0.904 -1.375 1.00 2.00 N ATOM 342 CA LYS A 23 -2.691 -1.933 -1.544 1.00 2.00 C ATOM 343 C LYS A 23 -2.139 -3.119 -0.679 1.00 2.00 C ATOM 344 O LYS A 23 -1.209 -3.828 -1.071 1.00 2.00 O ATOM 345 CB LYS A 23 -2.763 -2.190 -3.077 1.00 2.00 C ATOM 346 CG LYS A 23 -3.834 -3.177 -3.591 1.00 2.00 C ATOM 347 CD LYS A 23 -5.177 -2.549 -4.014 1.00 2.00 C ATOM 348 CE LYS A 23 -5.101 -1.667 -5.275 1.00 2.00 C ATOM 349 NZ LYS A 23 -6.459 -1.396 -5.792 1.00 2.00 N ATOM 0 H LYS A 23 -0.716 -1.305 -1.418 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.708 -1.710 -1.223 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -2.926 -1.232 -3.570 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -1.788 -2.554 -3.402 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -3.423 -3.718 -4.443 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -4.028 -3.912 -2.810 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -5.898 -3.348 -4.188 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -5.559 -1.948 -3.188 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -4.599 -0.728 -5.041 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -4.505 -2.165 -6.040 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -6.520 -1.701 -6.784 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -7.157 -1.919 -5.225 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -6.657 -0.377 -5.731 1.00 2.00 H new ATOM 362 N MET A 24 -2.627 -3.262 0.559 1.00 2.00 N ATOM 363 CA MET A 24 -2.204 -4.333 1.501 1.00 2.00 C ATOM 364 C MET A 24 -2.760 -5.736 1.088 1.00 2.00 C ATOM 365 O MET A 24 -3.830 -6.158 1.527 1.00 2.00 O ATOM 366 CB MET A 24 -2.672 -3.858 2.913 1.00 2.00 C ATOM 367 CG MET A 24 -2.228 -4.675 4.146 1.00 2.00 C ATOM 368 SD MET A 24 -3.284 -4.421 5.581 1.00 2.00 S ATOM 369 CE MET A 24 -2.503 -5.591 6.709 1.00 2.00 C ATOM 0 H MET A 24 -3.333 -2.638 0.949 1.00 2.00 H new ATOM 0 HA MET A 24 -1.124 -4.479 1.493 1.00 2.00 H new ATOM 0 HB2 MET A 24 -2.325 -2.834 3.051 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.762 -3.828 2.909 1.00 2.00 H new ATOM 0 HG2 MET A 24 -2.223 -5.734 3.889 1.00 2.00 H new ATOM 0 HG3 MET A 24 -1.204 -4.405 4.404 1.00 2.00 H new ATOM 0 HE1 MET A 24 -3.024 -5.577 7.666 1.00 2.00 H new ATOM 0 HE2 MET A 24 -2.551 -6.594 6.284 1.00 2.00 H new ATOM 0 HE3 MET A 24 -1.461 -5.311 6.860 1.00 2.00 H new ATOM 379 N PHE A 25 -2.048 -6.445 0.204 1.00 2.00 N ATOM 380 CA PHE A 25 -2.449 -7.797 -0.275 1.00 2.00 C ATOM 381 C PHE A 25 -2.095 -8.805 0.874 1.00 2.00 C ATOM 382 O PHE A 25 -0.922 -8.918 1.248 1.00 2.00 O ATOM 383 CB PHE A 25 -1.640 -8.094 -1.576 1.00 2.00 C ATOM 384 CG PHE A 25 -2.199 -7.758 -2.975 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.299 -6.924 -3.210 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.609 -8.420 -4.059 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.816 -6.788 -4.500 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.144 -8.305 -5.339 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.244 -7.485 -5.559 1.00 2.00 C ATOM 0 H PHE A 25 -1.177 -6.109 -0.206 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.511 -7.876 -0.506 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.689 -7.570 -1.482 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.418 -9.161 -1.573 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.749 -6.384 -2.390 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.729 -9.026 -3.900 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.662 -6.140 -4.676 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.705 -8.852 -6.160 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.655 -7.389 -6.553 1.00 2.00 H new ATOM 399 N MET A 26 -3.081 -9.504 1.463 1.00 2.00 N ATOM 400 CA MET A 26 -2.832 -10.482 2.569 1.00 2.00 C ATOM 401 C MET A 26 -1.814 -11.610 2.193 1.00 2.00 C ATOM 402 O MET A 26 -1.984 -12.257 1.162 1.00 2.00 O ATOM 403 CB MET A 26 -4.208 -11.030 3.042 1.00 2.00 C ATOM 404 CG MET A 26 -4.252 -11.529 4.503 1.00 2.00 C ATOM 405 SD MET A 26 -3.344 -13.070 4.704 1.00 2.00 S ATOM 406 CE MET A 26 -3.178 -13.083 6.494 1.00 2.00 C ATOM 0 H MET A 26 -4.063 -9.419 1.201 1.00 2.00 H new ATOM 0 HA MET A 26 -2.341 -9.968 3.395 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.954 -10.245 2.921 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.499 -11.851 2.386 1.00 2.00 H new ATOM 0 HG2 MET A 26 -3.830 -10.769 5.161 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.288 -11.674 4.807 1.00 2.00 H new ATOM 0 HE1 MET A 26 -2.635 -13.976 6.803 1.00 2.00 H new ATOM 0 HE2 MET A 26 -2.631 -12.197 6.815 1.00 2.00 H new ATOM 0 HE3 MET A 26 -4.167 -13.084 6.951 1.00 2.00 H new ATOM 416 N MET A 27 -0.776 -11.856 3.019 1.00 2.00 N ATOM 417 CA MET A 27 0.266 -12.911 2.758 1.00 2.00 C ATOM 418 C MET A 27 -0.236 -14.309 2.231 1.00 2.00 C ATOM 419 O MET A 27 0.359 -14.881 1.316 1.00 2.00 O ATOM 420 CB MET A 27 1.178 -13.027 4.019 1.00 2.00 C ATOM 421 CG MET A 27 2.688 -13.052 3.713 1.00 2.00 C ATOM 422 SD MET A 27 3.126 -14.458 2.671 1.00 2.00 S ATOM 423 CE MET A 27 4.776 -13.937 2.175 1.00 2.00 C ATOM 0 H MET A 27 -0.623 -11.340 3.886 1.00 2.00 H new ATOM 0 HA MET A 27 0.834 -12.563 1.895 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.968 -12.188 4.682 1.00 2.00 H new ATOM 0 HB3 MET A 27 0.914 -13.935 4.561 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.975 -12.125 3.216 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.249 -13.100 4.646 1.00 2.00 H new ATOM 0 HE1 MET A 27 5.213 -14.689 1.519 1.00 2.00 H new ATOM 0 HE2 MET A 27 4.714 -12.986 1.646 1.00 2.00 H new ATOM 0 HE3 MET A 27 5.402 -13.820 3.060 1.00 2.00 H new ATOM 433 N SER A 28 -1.318 -14.848 2.820 1.00 2.00 N ATOM 434 CA SER A 28 -1.908 -16.156 2.420 1.00 2.00 C ATOM 435 C SER A 28 -2.744 -16.081 1.080 1.00 2.00 C ATOM 436 O SER A 28 -2.702 -17.017 0.279 1.00 2.00 O ATOM 437 CB SER A 28 -2.747 -16.703 3.602 1.00 2.00 C ATOM 438 OG SER A 28 -1.961 -16.903 4.781 1.00 2.00 O ATOM 0 H SER A 28 -1.815 -14.396 3.588 1.00 2.00 H new ATOM 0 HA SER A 28 -1.095 -16.847 2.198 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.557 -16.007 3.822 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.208 -17.647 3.311 1.00 2.00 H new ATOM 0 HG SER A 28 -2.531 -17.247 5.500 1.00 2.00 H new ATOM 444 N ASP A 29 -3.567 -15.030 0.879 1.00 2.00 N ATOM 445 CA ASP A 29 -4.406 -14.829 -0.336 1.00 2.00 C ATOM 446 C ASP A 29 -4.188 -13.335 -0.760 1.00 2.00 C ATOM 447 O ASP A 29 -4.873 -12.415 -0.304 1.00 2.00 O ATOM 448 CB ASP A 29 -5.881 -15.203 -0.040 1.00 2.00 C ATOM 449 CG ASP A 29 -6.821 -15.172 -1.249 1.00 2.00 C ATOM 450 OD1 ASP A 29 -6.550 -14.687 -2.346 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.017 -15.752 -0.969 1.00 2.00 O ATOM 0 H ASP A 29 -3.673 -14.282 1.564 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.125 -15.478 -1.165 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -5.905 -16.203 0.392 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.267 -14.520 0.717 1.00 2.00 H new ATOM 457 N LEU A 30 -3.269 -13.141 -1.707 1.00 2.00 N ATOM 458 CA LEU A 30 -2.892 -11.815 -2.255 1.00 2.00 C ATOM 459 C LEU A 30 -3.967 -11.000 -3.055 1.00 2.00 C ATOM 460 O LEU A 30 -4.339 -9.911 -2.622 1.00 2.00 O ATOM 461 CB LEU A 30 -1.608 -12.090 -3.121 1.00 2.00 C ATOM 462 CG LEU A 30 -0.263 -12.567 -2.502 1.00 2.00 C ATOM 463 CD1 LEU A 30 0.249 -11.621 -1.416 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.263 -14.010 -1.969 1.00 2.00 C ATOM 0 H LEU A 30 -2.749 -13.910 -2.130 1.00 2.00 H new ATOM 0 HA LEU A 30 -2.741 -11.144 -1.410 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -1.889 -12.835 -3.866 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -1.392 -11.167 -3.659 1.00 2.00 H new ATOM 0 HG LEU A 30 0.420 -12.551 -3.352 1.00 2.00 H new ATOM 0 HD11 LEU A 30 1.190 -12.000 -1.017 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.408 -10.630 -1.842 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.486 -11.557 -0.613 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.719 -14.246 -1.559 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.016 -14.109 -1.188 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -0.491 -14.698 -2.783 1.00 2.00 H new ATOM 476 N THR A 31 -4.443 -11.515 -4.207 1.00 2.00 N ATOM 477 CA THR A 31 -5.469 -10.863 -5.099 1.00 2.00 C ATOM 478 C THR A 31 -6.613 -9.982 -4.483 1.00 2.00 C ATOM 479 O THR A 31 -6.908 -8.913 -5.024 1.00 2.00 O ATOM 480 CB THR A 31 -6.059 -11.927 -6.084 1.00 2.00 C ATOM 481 OG1 THR A 31 -6.710 -12.984 -5.384 1.00 2.00 O ATOM 482 CG2 THR A 31 -5.057 -12.583 -7.048 1.00 2.00 C ATOM 0 H THR A 31 -4.128 -12.416 -4.566 1.00 2.00 H new ATOM 0 HA THR A 31 -4.876 -10.094 -5.594 1.00 2.00 H new ATOM 0 HB THR A 31 -6.752 -11.335 -6.682 1.00 2.00 H new ATOM 0 HG1 THR A 31 -7.069 -13.630 -6.027 1.00 2.00 H new ATOM 0 HG21 THR A 31 -5.578 -13.301 -7.681 1.00 2.00 H new ATOM 0 HG22 THR A 31 -4.597 -11.817 -7.672 1.00 2.00 H new ATOM 0 HG23 THR A 31 -4.285 -13.097 -6.476 1.00 2.00 H new ATOM 490 N ILE A 32 -7.293 -10.449 -3.422 1.00 2.00 N ATOM 491 CA ILE A 32 -8.395 -9.699 -2.747 1.00 2.00 C ATOM 492 C ILE A 32 -7.640 -8.801 -1.676 1.00 2.00 C ATOM 493 O ILE A 32 -7.117 -9.365 -0.704 1.00 2.00 O ATOM 494 CB ILE A 32 -9.471 -10.676 -2.131 1.00 2.00 C ATOM 495 CG1 ILE A 32 -10.388 -11.412 -3.158 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.438 -9.954 -1.151 1.00 2.00 C ATOM 497 CD1 ILE A 32 -9.720 -12.476 -4.043 1.00 2.00 C ATOM 0 H ILE A 32 -7.103 -11.357 -2.999 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.984 -9.083 -3.426 1.00 2.00 H new ATOM 0 HB ILE A 32 -8.839 -11.409 -1.630 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -11.200 -11.888 -2.609 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -10.839 -10.663 -3.809 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.158 -10.671 -0.756 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -9.867 -9.522 -0.329 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -10.968 -9.162 -1.680 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -10.463 -12.912 -4.711 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -8.928 -12.014 -4.633 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -9.295 -13.258 -3.414 1.00 2.00 H new ATOM 509 N PRO A 33 -7.557 -7.440 -1.764 1.00 2.00 N ATOM 510 CA PRO A 33 -6.839 -6.625 -0.749 1.00 2.00 C ATOM 511 C PRO A 33 -7.484 -6.473 0.669 1.00 2.00 C ATOM 512 O PRO A 33 -8.704 -6.350 0.807 1.00 2.00 O ATOM 513 CB PRO A 33 -6.736 -5.243 -1.441 1.00 2.00 C ATOM 514 CG PRO A 33 -7.232 -5.415 -2.875 1.00 2.00 C ATOM 515 CD PRO A 33 -8.132 -6.642 -2.858 1.00 2.00 C ATOM 0 HA PRO A 33 -5.903 -7.123 -0.496 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -7.337 -4.503 -0.913 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -5.707 -4.884 -1.431 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -7.779 -4.533 -3.208 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -6.398 -5.551 -3.564 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -9.173 -6.380 -2.666 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -8.108 -7.177 -3.807 1.00 2.00 H new ATOM 523 N VAL A 34 -6.645 -6.422 1.715 1.00 2.00 N ATOM 524 CA VAL A 34 -7.095 -6.266 3.146 1.00 2.00 C ATOM 525 C VAL A 34 -7.016 -4.775 3.682 1.00 2.00 C ATOM 526 O VAL A 34 -7.592 -4.451 4.722 1.00 2.00 O ATOM 527 CB VAL A 34 -6.522 -7.333 4.139 1.00 2.00 C ATOM 528 CG1 VAL A 34 -7.138 -8.728 3.907 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.987 -7.448 4.191 1.00 2.00 C ATOM 0 H VAL A 34 -5.632 -6.486 1.614 1.00 2.00 H new ATOM 0 HA VAL A 34 -8.160 -6.497 3.112 1.00 2.00 H new ATOM 0 HB VAL A 34 -6.822 -6.947 5.113 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -6.712 -9.437 4.617 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -8.218 -8.677 4.048 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.920 -9.058 2.891 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -4.704 -8.216 4.911 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -4.609 -7.718 3.205 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.561 -6.492 4.494 1.00 2.00 H new ATOM 539 N LYS A 35 -6.309 -3.867 2.985 1.00 2.00 N ATOM 540 CA LYS A 35 -6.136 -2.428 3.331 1.00 2.00 C ATOM 541 C LYS A 35 -5.653 -1.660 2.052 1.00 2.00 C ATOM 542 O LYS A 35 -5.113 -2.230 1.102 1.00 2.00 O ATOM 543 CB LYS A 35 -5.337 -2.156 4.647 1.00 2.00 C ATOM 544 CG LYS A 35 -5.812 -0.941 5.487 1.00 2.00 C ATOM 545 CD LYS A 35 -5.114 0.405 5.193 1.00 2.00 C ATOM 546 CE LYS A 35 -6.014 1.600 5.548 1.00 2.00 C ATOM 547 NZ LYS A 35 -5.380 2.865 5.138 1.00 2.00 N ATOM 0 H LYS A 35 -5.818 -4.118 2.127 1.00 2.00 H new ATOM 0 HA LYS A 35 -7.103 -2.013 3.614 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -5.388 -3.048 5.272 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -4.288 -2.008 4.389 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -6.883 -0.813 5.330 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -5.671 -1.177 6.542 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -4.186 0.466 5.762 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -4.845 0.453 4.138 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -6.980 1.494 5.054 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -6.204 1.613 6.621 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -5.874 3.662 5.587 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -4.383 2.865 5.433 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -5.435 2.962 4.104 1.00 2.00 H new ATOM 560 N ARG A 36 -5.900 -0.352 1.963 1.00 2.00 N ATOM 561 CA ARG A 36 -5.487 0.484 0.791 1.00 2.00 C ATOM 562 C ARG A 36 -5.015 1.834 1.465 1.00 2.00 C ATOM 563 O ARG A 36 -5.836 2.595 1.980 1.00 2.00 O ATOM 564 CB ARG A 36 -6.695 0.405 -0.203 1.00 2.00 C ATOM 565 CG ARG A 36 -6.449 0.604 -1.715 1.00 2.00 C ATOM 566 CD ARG A 36 -7.562 0.084 -2.659 1.00 2.00 C ATOM 567 NE ARG A 36 -8.833 0.871 -2.581 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.700 1.078 -3.573 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.533 0.649 -4.789 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.772 1.756 -3.318 1.00 2.00 N ATOM 0 H ARG A 36 -6.389 0.173 2.688 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.650 0.210 0.149 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.161 -0.572 -0.074 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.425 1.151 0.110 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -6.309 1.668 -1.903 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.515 0.108 -1.979 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -7.195 0.104 -3.685 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.774 -0.957 -2.417 1.00 2.00 H new ATOM 0 HE ARG A 36 -9.058 1.291 -1.679 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.697 0.118 -5.032 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.238 0.844 -5.500 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.936 2.116 -2.378 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.453 1.930 -4.057 1.00 2.00 H new ATOM 584 N GLY A 37 -3.694 2.122 1.550 1.00 2.00 N ATOM 585 CA GLY A 37 -3.173 3.379 2.186 1.00 2.00 C ATOM 586 C GLY A 37 -2.072 4.236 1.510 1.00 2.00 C ATOM 587 O GLY A 37 -2.134 4.481 0.310 1.00 2.00 O ATOM 0 H GLY A 37 -2.963 1.509 1.190 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.031 4.033 2.343 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.798 3.103 3.172 1.00 2.00 H new ATOM 591 N CYS A 38 -1.109 4.766 2.296 1.00 2.00 N ATOM 592 CA CYS A 38 0.017 5.614 1.788 1.00 2.00 C ATOM 593 C CYS A 38 1.419 5.232 2.395 1.00 2.00 C ATOM 594 O CYS A 38 1.522 4.949 3.592 1.00 2.00 O ATOM 595 CB CYS A 38 -0.327 7.109 2.011 1.00 2.00 C ATOM 596 SG CYS A 38 0.231 7.695 3.629 1.00 2.00 S ATOM 0 H CYS A 38 -1.082 4.623 3.306 1.00 2.00 H new ATOM 0 HA CYS A 38 0.119 5.422 0.720 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.137 7.709 1.228 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.404 7.250 1.925 1.00 2.00 H new ATOM 601 N ILE A 39 2.508 5.286 1.603 1.00 2.00 N ATOM 602 CA ILE A 39 3.899 4.937 2.066 1.00 2.00 C ATOM 603 C ILE A 39 5.043 5.392 1.073 1.00 2.00 C ATOM 604 O ILE A 39 4.796 5.807 -0.054 1.00 2.00 O ATOM 605 CB ILE A 39 3.991 3.365 2.231 1.00 2.00 C ATOM 606 CG1 ILE A 39 5.245 2.847 3.000 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.860 2.657 0.841 1.00 2.00 C ATOM 608 CD1 ILE A 39 5.476 3.433 4.405 1.00 2.00 C ATOM 0 H ILE A 39 2.466 5.570 0.624 1.00 2.00 H new ATOM 0 HA ILE A 39 4.059 5.471 3.003 1.00 2.00 H new ATOM 0 HB ILE A 39 3.147 3.099 2.867 1.00 2.00 H new ATOM 0 HG12 ILE A 39 5.167 1.764 3.090 1.00 2.00 H new ATOM 0 HG13 ILE A 39 6.127 3.054 2.394 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.926 1.577 0.975 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.899 2.909 0.393 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.664 2.991 0.185 1.00 2.00 H new ATOM 0 HD11 ILE A 39 6.376 2.997 4.838 1.00 2.00 H new ATOM 0 HD12 ILE A 39 5.595 4.514 4.333 1.00 2.00 H new ATOM 0 HD13 ILE A 39 4.620 3.204 5.040 1.00 2.00 H new ATOM 620 N ASP A 40 6.317 5.281 1.487 1.00 2.00 N ATOM 621 CA ASP A 40 7.499 5.657 0.656 1.00 2.00 C ATOM 622 C ASP A 40 7.986 4.468 -0.258 1.00 2.00 C ATOM 623 O ASP A 40 8.126 4.666 -1.465 1.00 2.00 O ATOM 624 CB ASP A 40 8.703 6.104 1.551 1.00 2.00 C ATOM 625 CG ASP A 40 8.493 7.198 2.595 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.369 8.382 2.319 1.00 2.00 O ATOM 627 OD2 ASP A 40 8.480 6.706 3.867 1.00 2.00 O ATOM 0 H ASP A 40 6.569 4.927 2.410 1.00 2.00 H new ATOM 0 HA ASP A 40 7.170 6.484 0.026 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.069 5.220 2.072 1.00 2.00 H new ATOM 0 HB3 ASP A 40 9.500 6.435 0.886 1.00 2.00 H new ATOM 633 N VAL A 41 8.243 3.258 0.306 1.00 2.00 N ATOM 634 CA VAL A 41 8.721 2.048 -0.460 1.00 2.00 C ATOM 635 C VAL A 41 7.936 0.721 -0.125 1.00 2.00 C ATOM 636 O VAL A 41 8.533 -0.354 -0.141 1.00 2.00 O ATOM 637 CB VAL A 41 10.306 2.004 -0.269 1.00 2.00 C ATOM 638 CG1 VAL A 41 11.064 0.824 -0.935 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.066 3.254 -0.802 1.00 2.00 C ATOM 0 H VAL A 41 8.128 3.081 1.304 1.00 2.00 H new ATOM 0 HA VAL A 41 8.495 2.133 -1.523 1.00 2.00 H new ATOM 0 HB VAL A 41 10.326 1.918 0.817 1.00 2.00 H new ATOM 0 HG11 VAL A 41 12.130 0.914 -0.728 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.695 -0.119 -0.532 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.900 0.848 -2.012 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.135 3.132 -0.628 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.883 3.363 -1.871 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.713 4.144 -0.281 1.00 2.00 H new ATOM 649 N CYS A 42 6.583 0.723 0.070 1.00 2.00 N ATOM 650 CA CYS A 42 5.772 -0.513 0.403 1.00 2.00 C ATOM 651 C CYS A 42 6.158 -0.806 1.926 1.00 2.00 C ATOM 652 O CYS A 42 7.343 -1.062 2.170 1.00 2.00 O ATOM 653 CB CYS A 42 5.897 -1.632 -0.660 1.00 2.00 C ATOM 654 SG CYS A 42 6.074 -0.925 -2.326 1.00 2.00 S ATOM 0 H CYS A 42 6.018 1.570 0.004 1.00 2.00 H new ATOM 0 HA CYS A 42 4.690 -0.399 0.344 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.759 -2.260 -0.433 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.017 -2.274 -0.624 1.00 2.00 H new ATOM 659 N PRO A 43 5.325 -0.749 3.016 1.00 2.00 N ATOM 660 CA PRO A 43 5.819 -1.033 4.392 1.00 2.00 C ATOM 661 C PRO A 43 6.456 -2.418 4.687 1.00 2.00 C ATOM 662 O PRO A 43 6.388 -3.328 3.858 1.00 2.00 O ATOM 663 CB PRO A 43 4.583 -0.744 5.284 1.00 2.00 C ATOM 664 CG PRO A 43 3.544 -0.038 4.417 1.00 2.00 C ATOM 665 CD PRO A 43 3.881 -0.466 2.990 1.00 2.00 C ATOM 0 HA PRO A 43 6.691 -0.408 4.585 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.178 -1.671 5.689 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.861 -0.120 6.133 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.531 -0.334 4.691 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.602 1.045 4.531 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.310 -1.347 2.695 1.00 2.00 H new ATOM 0 HD3 PRO A 43 3.645 0.321 2.274 1.00 2.00 H new ATOM 673 N LYS A 44 7.067 -2.571 5.883 1.00 2.00 N ATOM 674 CA LYS A 44 7.716 -3.852 6.300 1.00 2.00 C ATOM 675 C LYS A 44 6.595 -4.951 6.415 1.00 2.00 C ATOM 676 O LYS A 44 5.817 -5.035 7.370 1.00 2.00 O ATOM 677 CB LYS A 44 8.508 -3.660 7.619 1.00 2.00 C ATOM 678 CG LYS A 44 9.819 -2.844 7.486 1.00 2.00 C ATOM 679 CD LYS A 44 10.702 -2.839 8.753 1.00 2.00 C ATOM 680 CE LYS A 44 10.109 -2.052 9.934 1.00 2.00 C ATOM 681 NZ LYS A 44 11.054 -2.076 11.067 1.00 2.00 N ATOM 0 H LYS A 44 7.129 -1.830 6.581 1.00 2.00 H new ATOM 0 HA LYS A 44 8.446 -4.176 5.559 1.00 2.00 H new ATOM 0 HB2 LYS A 44 7.862 -3.165 8.344 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.749 -4.642 8.026 1.00 2.00 H new ATOM 0 HG2 LYS A 44 10.400 -3.246 6.656 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.567 -1.815 7.230 1.00 2.00 H new ATOM 0 HD2 LYS A 44 10.873 -3.869 9.067 1.00 2.00 H new ATOM 0 HD3 LYS A 44 11.675 -2.417 8.502 1.00 2.00 H new ATOM 0 HE2 LYS A 44 9.909 -1.023 9.635 1.00 2.00 H new ATOM 0 HE3 LYS A 44 9.156 -2.488 10.233 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 10.653 -1.544 11.865 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 11.223 -3.060 11.357 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 11.953 -1.641 10.778 1.00 2.00 H new ATOM 694 N ASN A 45 6.518 -5.744 5.347 1.00 2.00 N ATOM 695 CA ASN A 45 5.557 -6.849 5.179 1.00 2.00 C ATOM 696 C ASN A 45 5.763 -8.148 6.035 1.00 2.00 C ATOM 697 O ASN A 45 6.350 -8.133 7.118 1.00 2.00 O ATOM 698 CB ASN A 45 5.507 -6.990 3.613 1.00 2.00 C ATOM 699 CG ASN A 45 6.652 -7.747 2.924 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.779 -7.280 2.843 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.411 -8.919 2.393 1.00 2.00 N ATOM 0 H ASN A 45 7.140 -5.637 4.546 1.00 2.00 H new ATOM 0 HA ASN A 45 4.582 -6.631 5.615 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.573 -7.486 3.351 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.465 -5.987 3.188 1.00 2.00 H new ATOM 0 HD21 ASN A 45 7.158 -9.428 1.921 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.476 -9.323 2.452 1.00 2.00 H new ATOM 708 N SER A 46 5.196 -9.270 5.560 1.00 2.00 N ATOM 709 CA SER A 46 5.258 -10.614 6.197 1.00 2.00 C ATOM 710 C SER A 46 4.320 -10.879 7.406 1.00 2.00 C ATOM 711 O SER A 46 3.740 -11.964 7.453 1.00 2.00 O ATOM 712 CB SER A 46 6.707 -11.120 6.428 1.00 2.00 C ATOM 713 OG SER A 46 6.730 -12.533 6.650 1.00 2.00 O ATOM 0 H SER A 46 4.661 -9.276 4.692 1.00 2.00 H new ATOM 0 HA SER A 46 4.813 -11.242 5.425 1.00 2.00 H new ATOM 0 HB2 SER A 46 7.323 -10.875 5.563 1.00 2.00 H new ATOM 0 HB3 SER A 46 7.142 -10.607 7.286 1.00 2.00 H new ATOM 0 HG SER A 46 7.654 -12.827 6.791 1.00 2.00 H new ATOM 719 N LEU A 47 4.171 -9.945 8.373 1.00 2.00 N ATOM 720 CA LEU A 47 3.275 -10.123 9.572 1.00 2.00 C ATOM 721 C LEU A 47 1.831 -10.651 9.200 1.00 2.00 C ATOM 722 O LEU A 47 1.338 -11.637 9.748 1.00 2.00 O ATOM 723 CB LEU A 47 3.359 -8.850 10.467 1.00 2.00 C ATOM 724 CG LEU A 47 2.870 -7.487 9.885 1.00 2.00 C ATOM 725 CD1 LEU A 47 1.463 -7.119 10.384 1.00 2.00 C ATOM 726 CD2 LEU A 47 3.832 -6.345 10.249 1.00 2.00 C ATOM 0 H LEU A 47 4.658 -9.049 8.359 1.00 2.00 H new ATOM 0 HA LEU A 47 3.636 -10.942 10.194 1.00 2.00 H new ATOM 0 HB2 LEU A 47 2.787 -9.046 11.374 1.00 2.00 H new ATOM 0 HB3 LEU A 47 4.399 -8.726 10.767 1.00 2.00 H new ATOM 0 HG LEU A 47 2.842 -7.613 8.803 1.00 2.00 H new ATOM 0 HD11 LEU A 47 1.163 -6.163 9.954 1.00 2.00 H new ATOM 0 HD12 LEU A 47 0.756 -7.891 10.081 1.00 2.00 H new ATOM 0 HD13 LEU A 47 1.471 -7.041 11.471 1.00 2.00 H new ATOM 0 HD21 LEU A 47 3.462 -5.410 9.828 1.00 2.00 H new ATOM 0 HD22 LEU A 47 3.896 -6.255 11.333 1.00 2.00 H new ATOM 0 HD23 LEU A 47 4.821 -6.559 9.844 1.00 2.00 H new ATOM 738 N LEU A 48 1.218 -9.978 8.219 1.00 2.00 N ATOM 739 CA LEU A 48 -0.134 -10.253 7.652 1.00 2.00 C ATOM 740 C LEU A 48 -0.208 -9.663 6.182 1.00 2.00 C ATOM 741 O LEU A 48 -1.313 -9.439 5.680 1.00 2.00 O ATOM 742 CB LEU A 48 -1.249 -9.597 8.543 1.00 2.00 C ATOM 743 CG LEU A 48 -1.492 -10.112 9.987 1.00 2.00 C ATOM 744 CD1 LEU A 48 -2.448 -9.165 10.731 1.00 2.00 C ATOM 745 CD2 LEU A 48 -2.065 -11.537 10.012 1.00 2.00 C ATOM 0 H LEU A 48 1.665 -9.181 7.766 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.300 -11.330 7.630 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -1.024 -8.533 8.612 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -2.191 -9.689 8.003 1.00 2.00 H new ATOM 0 HG LEU A 48 -0.522 -10.135 10.485 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -2.612 -9.535 11.743 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -2.010 -8.168 10.776 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -3.400 -9.120 10.202 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.217 -11.850 11.045 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -3.018 -11.555 9.484 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.367 -12.218 9.525 1.00 2.00 H new ATOM 757 N VAL A 49 0.913 -9.494 5.415 1.00 2.00 N ATOM 758 CA VAL A 49 0.889 -8.916 4.026 1.00 2.00 C ATOM 759 C VAL A 49 2.184 -9.022 3.115 1.00 2.00 C ATOM 760 O VAL A 49 3.281 -9.406 3.513 1.00 2.00 O ATOM 761 CB VAL A 49 0.527 -7.369 4.301 1.00 2.00 C ATOM 762 CG1 VAL A 49 1.418 -6.611 5.332 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.443 -6.434 3.083 1.00 2.00 C ATOM 0 H VAL A 49 1.848 -9.750 5.734 1.00 2.00 H new ATOM 0 HA VAL A 49 0.190 -9.501 3.428 1.00 2.00 H new ATOM 0 HB VAL A 49 -0.469 -7.550 4.706 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.071 -5.582 5.426 1.00 2.00 H new ATOM 0 HG12 VAL A 49 1.354 -7.105 6.301 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.453 -6.615 4.991 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.192 -5.426 3.414 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.404 -6.418 2.569 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.327 -6.794 2.401 1.00 2.00 H new ATOM 773 N LYS A 50 1.984 -8.641 1.845 1.00 2.00 N ATOM 774 CA LYS A 50 2.965 -8.587 0.723 1.00 2.00 C ATOM 775 C LYS A 50 2.363 -7.424 -0.167 1.00 2.00 C ATOM 776 O LYS A 50 1.757 -7.629 -1.219 1.00 2.00 O ATOM 777 CB LYS A 50 3.177 -9.937 0.010 1.00 2.00 C ATOM 778 CG LYS A 50 4.445 -9.966 -0.879 1.00 2.00 C ATOM 779 CD LYS A 50 4.404 -11.042 -1.981 1.00 2.00 C ATOM 780 CE LYS A 50 3.589 -10.611 -3.214 1.00 2.00 C ATOM 781 NZ LYS A 50 3.635 -11.688 -4.223 1.00 2.00 N ATOM 0 H LYS A 50 1.060 -8.335 1.539 1.00 2.00 H new ATOM 0 HA LYS A 50 3.990 -8.385 1.033 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.247 -10.728 0.757 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.305 -10.156 -0.606 1.00 2.00 H new ATOM 0 HG2 LYS A 50 4.575 -8.988 -1.343 1.00 2.00 H new ATOM 0 HG3 LYS A 50 5.317 -10.138 -0.248 1.00 2.00 H new ATOM 0 HD2 LYS A 50 5.423 -11.277 -2.290 1.00 2.00 H new ATOM 0 HD3 LYS A 50 3.976 -11.957 -1.572 1.00 2.00 H new ATOM 0 HE2 LYS A 50 2.557 -10.406 -2.930 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.995 -9.689 -3.630 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 3.086 -11.404 -5.059 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 4.622 -11.863 -4.500 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 3.229 -12.557 -3.822 1.00 2.00 H new ATOM 794 N TYR A 51 2.545 -6.179 0.304 1.00 2.00 N ATOM 795 CA TYR A 51 2.066 -4.926 -0.331 1.00 2.00 C ATOM 796 C TYR A 51 2.337 -4.568 -1.830 1.00 2.00 C ATOM 797 O TYR A 51 3.459 -4.592 -2.339 1.00 2.00 O ATOM 798 CB TYR A 51 2.687 -3.753 0.490 1.00 2.00 C ATOM 799 CG TYR A 51 2.287 -3.593 1.960 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.111 -2.923 2.307 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.170 -3.996 2.966 1.00 2.00 C ATOM 802 CE1 TYR A 51 0.820 -2.673 3.647 1.00 2.00 C ATOM 803 CE2 TYR A 51 2.876 -3.745 4.303 1.00 2.00 C ATOM 804 CZ TYR A 51 1.699 -3.084 4.642 1.00 2.00 C ATOM 805 OH TYR A 51 1.411 -2.816 5.952 1.00 2.00 O ATOM 0 H TYR A 51 3.050 -6.004 1.173 1.00 2.00 H new ATOM 0 HA TYR A 51 0.988 -5.090 -0.326 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.771 -3.860 0.452 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.440 -2.823 -0.023 1.00 2.00 H new ATOM 0 HD1 TYR A 51 0.427 -2.599 1.537 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.086 -4.505 2.704 1.00 2.00 H new ATOM 0 HE1 TYR A 51 -0.091 -2.158 3.913 1.00 2.00 H new ATOM 0 HE2 TYR A 51 3.560 -4.063 5.076 1.00 2.00 H new ATOM 0 HH TYR A 51 2.124 -3.170 6.523 1.00 2.00 H new ATOM 815 N VAL A 52 1.247 -4.162 -2.486 1.00 2.00 N ATOM 816 CA VAL A 52 1.213 -3.739 -3.913 1.00 2.00 C ATOM 817 C VAL A 52 1.214 -2.174 -3.715 1.00 2.00 C ATOM 818 O VAL A 52 0.545 -1.613 -2.836 1.00 2.00 O ATOM 819 CB VAL A 52 0.054 -4.403 -4.720 1.00 2.00 C ATOM 820 CG1 VAL A 52 -0.333 -3.650 -6.014 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.449 -5.836 -5.130 1.00 2.00 C ATOM 0 H VAL A 52 0.332 -4.112 -2.038 1.00 2.00 H new ATOM 0 HA VAL A 52 2.031 -4.060 -4.558 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.804 -4.384 -4.049 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -1.145 -4.178 -6.513 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.657 -2.640 -5.764 1.00 2.00 H new ATOM 0 HG13 VAL A 52 0.530 -3.600 -6.678 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -0.366 -6.291 -5.693 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.344 -5.803 -5.751 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.648 -6.428 -4.237 1.00 2.00 H new ATOM 831 N CYS A 53 1.944 -1.421 -4.536 1.00 2.00 N ATOM 832 CA CYS A 53 2.008 0.057 -4.398 1.00 2.00 C ATOM 833 C CYS A 53 2.129 0.860 -5.739 1.00 2.00 C ATOM 834 O CYS A 53 2.813 0.439 -6.675 1.00 2.00 O ATOM 835 CB CYS A 53 3.263 0.224 -3.470 1.00 2.00 C ATOM 836 SG CYS A 53 4.453 -1.181 -3.485 1.00 2.00 S ATOM 0 H CYS A 53 2.501 -1.795 -5.304 1.00 2.00 H new ATOM 0 HA CYS A 53 1.083 0.475 -4.002 1.00 2.00 H new ATOM 0 HB2 CYS A 53 3.793 1.130 -3.765 1.00 2.00 H new ATOM 0 HB3 CYS A 53 2.919 0.375 -2.447 1.00 2.00 H new ATOM 841 N CYS A 54 1.477 2.040 -5.810 1.00 2.00 N ATOM 842 CA CYS A 54 1.497 2.920 -7.016 1.00 2.00 C ATOM 843 C CYS A 54 1.941 4.376 -6.622 1.00 2.00 C ATOM 844 O CYS A 54 1.264 5.061 -5.855 1.00 2.00 O ATOM 845 CB CYS A 54 0.121 2.820 -7.705 1.00 2.00 C ATOM 846 SG CYS A 54 -1.192 3.538 -6.703 1.00 2.00 S ATOM 0 H CYS A 54 0.922 2.415 -5.041 1.00 2.00 H new ATOM 0 HA CYS A 54 2.240 2.596 -7.745 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.161 3.328 -8.668 1.00 2.00 H new ATOM 0 HB3 CYS A 54 -0.108 1.773 -7.906 1.00 2.00 H new ATOM 851 N ASN A 55 3.037 4.872 -7.206 1.00 2.00 N ATOM 852 CA ASN A 55 3.642 6.231 -6.969 1.00 2.00 C ATOM 853 C ASN A 55 2.864 7.604 -7.031 1.00 2.00 C ATOM 854 O ASN A 55 3.529 8.643 -6.923 1.00 2.00 O ATOM 855 CB ASN A 55 4.831 6.323 -7.993 1.00 2.00 C ATOM 856 CG ASN A 55 5.899 5.221 -8.042 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.699 4.172 -8.638 1.00 2.00 O ATOM 858 ND2 ASN A 55 7.036 5.397 -7.428 1.00 2.00 N ATOM 0 H ASN A 55 3.566 4.331 -7.890 1.00 2.00 H new ATOM 0 HA ASN A 55 3.817 6.198 -5.894 1.00 2.00 H new ATOM 0 HB2 ASN A 55 4.394 6.393 -8.989 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.347 7.264 -7.804 1.00 2.00 H new ATOM 0 HD21 ASN A 55 7.746 4.664 -7.449 1.00 2.00 H new ATOM 0 HD22 ASN A 55 7.216 6.267 -6.927 1.00 2.00 H new ATOM 865 N THR A 56 1.530 7.691 -7.177 1.00 2.00 N ATOM 866 CA THR A 56 0.818 9.014 -7.238 1.00 2.00 C ATOM 867 C THR A 56 -0.525 9.146 -6.439 1.00 2.00 C ATOM 868 O THR A 56 -1.036 8.218 -5.805 1.00 2.00 O ATOM 869 CB THR A 56 0.756 9.451 -8.751 1.00 2.00 C ATOM 870 OG1 THR A 56 0.459 10.840 -8.864 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.271 8.723 -9.630 1.00 2.00 C ATOM 0 H THR A 56 0.915 6.881 -7.256 1.00 2.00 H new ATOM 0 HA THR A 56 1.405 9.735 -6.668 1.00 2.00 H new ATOM 0 HB THR A 56 1.748 9.186 -9.116 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.427 11.092 -9.811 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.219 9.110 -10.648 1.00 2.00 H new ATOM 0 HG22 THR A 56 -0.053 7.655 -9.636 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.272 8.886 -9.231 1.00 2.00 H new ATOM 879 N ASP A 57 -1.073 10.373 -6.460 1.00 2.00 N ATOM 880 CA ASP A 57 -2.340 10.753 -5.780 1.00 2.00 C ATOM 881 C ASP A 57 -3.612 9.991 -6.263 1.00 2.00 C ATOM 882 O ASP A 57 -4.053 10.110 -7.407 1.00 2.00 O ATOM 883 CB ASP A 57 -2.518 12.291 -5.921 1.00 2.00 C ATOM 884 CG ASP A 57 -1.505 13.133 -5.144 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.476 13.187 -3.918 1.00 2.00 O ATOM 886 OD2 ASP A 57 -0.637 13.791 -5.963 1.00 2.00 O ATOM 0 H ASP A 57 -0.644 11.152 -6.960 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.245 10.455 -4.736 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.452 12.554 -6.977 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.521 12.558 -5.588 1.00 2.00 H new ATOM 892 N ARG A 58 -4.202 9.221 -5.340 1.00 2.00 N ATOM 893 CA ARG A 58 -5.426 8.402 -5.571 1.00 2.00 C ATOM 894 C ARG A 58 -5.353 7.247 -6.644 1.00 2.00 C ATOM 895 O ARG A 58 -6.395 6.757 -7.088 1.00 2.00 O ATOM 896 CB ARG A 58 -6.688 9.326 -5.659 1.00 2.00 C ATOM 897 CG ARG A 58 -7.070 10.056 -4.336 1.00 2.00 C ATOM 898 CD ARG A 58 -8.492 10.649 -4.288 1.00 2.00 C ATOM 899 NE ARG A 58 -9.511 9.554 -4.202 1.00 2.00 N ATOM 900 CZ ARG A 58 -10.542 9.377 -5.019 1.00 2.00 C ATOM 901 NH1 ARG A 58 -10.927 10.255 -5.899 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.207 8.272 -4.935 1.00 2.00 N ATOM 0 H ARG A 58 -3.844 9.140 -4.388 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.520 7.779 -4.682 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.517 10.075 -6.432 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.538 8.724 -5.981 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -6.961 9.353 -3.510 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.354 10.861 -4.167 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.588 11.312 -3.428 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.672 11.253 -5.178 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.402 8.881 -3.444 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -10.427 11.140 -5.989 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -11.729 10.059 -6.498 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -10.935 7.564 -4.254 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -12.004 8.108 -5.550 1.00 2.00 H new ATOM 916 N CYS A 59 -4.153 6.749 -6.992 1.00 2.00 N ATOM 917 CA CYS A 59 -3.979 5.656 -7.992 1.00 2.00 C ATOM 918 C CYS A 59 -4.398 4.208 -7.541 1.00 2.00 C ATOM 919 O CYS A 59 -4.730 3.357 -8.372 1.00 2.00 O ATOM 920 CB CYS A 59 -2.519 5.756 -8.472 1.00 2.00 C ATOM 921 SG CYS A 59 -1.348 5.491 -7.125 1.00 2.00 S ATOM 0 H CYS A 59 -3.275 7.084 -6.596 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.690 5.810 -8.804 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.343 5.019 -9.256 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -2.348 6.738 -8.913 1.00 2.00 H new ATOM 926 N ASN A 60 -4.398 3.914 -6.230 1.00 2.00 N ATOM 927 CA ASN A 60 -4.773 2.593 -5.666 1.00 2.00 C ATOM 928 C ASN A 60 -6.305 2.320 -5.771 1.00 2.00 C ATOM 929 O ASN A 60 -7.077 2.350 -4.818 1.00 2.00 O ATOM 930 CB ASN A 60 -4.183 2.480 -4.233 1.00 2.00 C ATOM 931 CG ASN A 60 -4.595 3.508 -3.164 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.163 4.563 -3.420 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.233 3.280 -1.932 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.699 2.031 -7.050 1.00 0.00 O ATOM 0 H ASN A 60 -4.135 4.593 -5.516 1.00 2.00 H new ATOM 0 HA ASN A 60 -4.336 1.790 -6.260 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.437 1.491 -3.851 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.097 2.518 -4.322 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.424 3.972 -1.208 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.759 2.409 -1.693 1.00 2.00 H new