USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 75:sc= -1.58! USER MOD Set 1.2: A 43 LYS NZ :NH3+ 158:sc=-0.00919 (180deg=-0.243) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.62! C(o=-2.6!,f=-17!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 134:sc= 0.593 (180deg=0.115) USER MOD Single : A 26 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= -0.0195 (180deg=-1.21) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.27) USER MOD Single : A 61 SER OG : rot -95:sc= 0.0331 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.6! C(o=-1.6!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.334 -14.799 4.348 1.00 0.00 N ATOM 2 CA GLY A 1 -12.595 -14.239 3.182 1.00 0.00 C ATOM 3 C GLY A 1 -12.115 -12.824 3.513 1.00 0.00 C ATOM 4 O GLY A 1 -11.073 -12.636 4.110 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.660 -15.761 4.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.704 -14.832 5.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.154 -14.196 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.744 -14.875 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.241 -14.219 2.304 1.00 0.00 H new ATOM 10 N LYS A 2 -12.867 -11.828 3.133 1.00 0.00 N ATOM 11 CA LYS A 2 -12.453 -10.428 3.429 1.00 0.00 C ATOM 12 C LYS A 2 -13.571 -9.719 4.197 1.00 0.00 C ATOM 13 O LYS A 2 -14.694 -9.637 3.742 1.00 0.00 O ATOM 14 CB LYS A 2 -12.183 -9.685 2.117 1.00 0.00 C ATOM 15 CG LYS A 2 -10.730 -9.204 2.090 1.00 0.00 C ATOM 16 CD LYS A 2 -10.536 -8.216 0.938 1.00 0.00 C ATOM 17 CE LYS A 2 -9.105 -8.324 0.408 1.00 0.00 C ATOM 18 NZ LYS A 2 -9.130 -8.409 -1.079 1.00 0.00 N ATOM 0 H LYS A 2 -13.750 -11.923 2.631 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.545 -10.437 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.375 -10.342 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.860 -8.836 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.477 -8.728 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.058 -10.054 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.248 -8.428 0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.733 -7.200 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.523 -7.458 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.617 -9.205 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.157 -8.482 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.671 -9.248 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.580 -7.556 -1.468 1.00 0.00 H new ATOM 32 N GLU A 3 -13.272 -9.206 5.360 1.00 0.00 N ATOM 33 CA GLU A 3 -14.319 -8.504 6.155 1.00 0.00 C ATOM 34 C GLU A 3 -13.890 -7.058 6.409 1.00 0.00 C ATOM 35 O GLU A 3 -14.607 -6.287 7.015 1.00 0.00 O ATOM 36 CB GLU A 3 -14.519 -9.227 7.491 1.00 0.00 C ATOM 37 CG GLU A 3 -13.181 -9.339 8.224 1.00 0.00 C ATOM 38 CD GLU A 3 -12.817 -7.985 8.833 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.698 -7.356 9.397 1.00 0.00 O ATOM 40 OE2 GLU A 3 -11.665 -7.599 8.725 1.00 0.00 O ATOM 0 H GLU A 3 -12.349 -9.243 5.793 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.257 -8.507 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.237 -8.683 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.934 -10.220 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.245 -10.096 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.402 -9.660 7.533 1.00 0.00 H new ATOM 47 N CYS A 4 -12.731 -6.678 5.945 1.00 0.00 N ATOM 48 CA CYS A 4 -12.268 -5.277 6.153 1.00 0.00 C ATOM 49 C CYS A 4 -11.308 -4.889 5.026 1.00 0.00 C ATOM 50 O CYS A 4 -10.299 -5.530 4.812 1.00 0.00 O ATOM 51 CB CYS A 4 -11.550 -5.160 7.499 1.00 0.00 C ATOM 52 SG CYS A 4 -10.820 -3.510 7.651 1.00 0.00 S ATOM 0 H CYS A 4 -12.085 -7.277 5.431 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.129 -4.608 6.149 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.252 -5.336 8.314 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -10.774 -5.921 7.577 1.00 0.00 H new ATOM 57 N ASP A 5 -11.614 -3.849 4.303 1.00 0.00 N ATOM 58 CA ASP A 5 -10.719 -3.427 3.190 1.00 0.00 C ATOM 59 C ASP A 5 -9.962 -2.159 3.592 1.00 0.00 C ATOM 60 O ASP A 5 -8.976 -1.794 2.982 1.00 0.00 O ATOM 61 CB ASP A 5 -11.555 -3.149 1.938 1.00 0.00 C ATOM 62 CG ASP A 5 -11.029 -3.989 0.773 1.00 0.00 C ATOM 63 OD1 ASP A 5 -9.960 -4.562 0.915 1.00 0.00 O ATOM 64 OD2 ASP A 5 -11.703 -4.045 -0.243 1.00 0.00 O ATOM 0 H ASP A 5 -12.445 -3.273 4.434 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.005 -4.223 2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.602 -3.387 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.509 -2.090 1.686 1.00 0.00 H new ATOM 69 N CYS A 6 -10.412 -1.483 4.615 1.00 0.00 N ATOM 70 CA CYS A 6 -9.710 -0.243 5.048 1.00 0.00 C ATOM 71 C CYS A 6 -9.244 -0.402 6.497 1.00 0.00 C ATOM 72 O CYS A 6 -10.007 -0.774 7.368 1.00 0.00 O ATOM 73 CB CYS A 6 -10.660 0.958 4.924 1.00 0.00 C ATOM 74 SG CYS A 6 -11.827 0.988 6.312 1.00 0.00 S ATOM 0 H CYS A 6 -11.232 -1.735 5.167 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.842 -0.072 4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.085 1.884 4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.206 0.902 3.983 1.00 0.00 H new ATOM 79 N SER A 7 -7.997 -0.128 6.764 1.00 0.00 N ATOM 80 CA SER A 7 -7.488 -0.270 8.157 1.00 0.00 C ATOM 81 C SER A 7 -7.617 1.068 8.888 1.00 0.00 C ATOM 82 O SER A 7 -6.901 1.341 9.831 1.00 0.00 O ATOM 83 CB SER A 7 -6.019 -0.692 8.122 1.00 0.00 C ATOM 84 OG SER A 7 -5.787 -1.658 9.140 1.00 0.00 O ATOM 0 H SER A 7 -7.310 0.187 6.079 1.00 0.00 H new ATOM 0 HA SER A 7 -8.072 -1.027 8.681 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.771 -1.108 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.375 0.175 8.272 1.00 0.00 H new ATOM 0 HG SER A 7 -4.847 -1.934 9.121 1.00 0.00 H new ATOM 90 N SER A 8 -8.523 1.908 8.462 1.00 0.00 N ATOM 91 CA SER A 8 -8.689 3.225 9.139 1.00 0.00 C ATOM 92 C SER A 8 -10.182 3.488 9.382 1.00 0.00 C ATOM 93 O SER A 8 -10.950 3.570 8.444 1.00 0.00 O ATOM 94 CB SER A 8 -8.117 4.327 8.247 1.00 0.00 C ATOM 95 OG SER A 8 -6.782 4.608 8.645 1.00 0.00 O ATOM 0 H SER A 8 -9.153 1.739 7.677 1.00 0.00 H new ATOM 0 HA SER A 8 -8.161 3.216 10.093 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.139 4.014 7.203 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.728 5.226 8.323 1.00 0.00 H new ATOM 0 HG SER A 8 -6.412 5.313 8.074 1.00 0.00 H new ATOM 101 N PRO A 9 -10.554 3.615 10.635 1.00 0.00 N ATOM 102 CA PRO A 9 -11.953 3.870 11.022 1.00 0.00 C ATOM 103 C PRO A 9 -12.312 5.341 10.789 1.00 0.00 C ATOM 104 O PRO A 9 -13.469 5.700 10.689 1.00 0.00 O ATOM 105 CB PRO A 9 -11.984 3.530 12.513 1.00 0.00 C ATOM 106 CG PRO A 9 -10.526 3.646 13.017 1.00 0.00 C ATOM 107 CD PRO A 9 -9.621 3.518 11.776 1.00 0.00 C ATOM 0 HA PRO A 9 -12.670 3.287 10.444 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.638 4.214 13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.372 2.524 12.674 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.364 4.600 13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.303 2.863 13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.872 4.309 11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.083 2.570 11.771 1.00 0.00 H new ATOM 115 N GLU A 10 -11.329 6.193 10.699 1.00 0.00 N ATOM 116 CA GLU A 10 -11.612 7.638 10.470 1.00 0.00 C ATOM 117 C GLU A 10 -11.659 7.915 8.965 1.00 0.00 C ATOM 118 O GLU A 10 -11.349 8.998 8.513 1.00 0.00 O ATOM 119 CB GLU A 10 -10.508 8.479 11.114 1.00 0.00 C ATOM 120 CG GLU A 10 -10.678 8.463 12.634 1.00 0.00 C ATOM 121 CD GLU A 10 -9.406 7.914 13.285 1.00 0.00 C ATOM 122 OE1 GLU A 10 -8.394 7.857 12.606 1.00 0.00 O ATOM 123 OE2 GLU A 10 -9.468 7.561 14.450 1.00 0.00 O ATOM 0 H GLU A 10 -10.341 5.951 10.774 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.572 7.899 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.529 8.084 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.552 9.503 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.880 9.470 12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.534 7.847 12.908 1.00 0.00 H new ATOM 130 N ASN A 11 -12.046 6.939 8.188 1.00 0.00 N ATOM 131 CA ASN A 11 -12.115 7.137 6.713 1.00 0.00 C ATOM 132 C ASN A 11 -13.551 6.859 6.239 1.00 0.00 C ATOM 133 O ASN A 11 -14.101 5.814 6.530 1.00 0.00 O ATOM 134 CB ASN A 11 -11.138 6.166 6.036 1.00 0.00 C ATOM 135 CG ASN A 11 -11.529 5.953 4.571 1.00 0.00 C ATOM 136 OD1 ASN A 11 -11.874 6.889 3.878 1.00 0.00 O ATOM 137 ND2 ASN A 11 -11.486 4.749 4.070 1.00 0.00 N ATOM 0 H ASN A 11 -12.318 6.011 8.513 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.844 8.160 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.124 6.560 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.140 5.212 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.742 4.593 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.196 3.964 4.653 1.00 0.00 H new ATOM 144 N PRO A 12 -14.120 7.804 5.529 1.00 0.00 N ATOM 145 CA PRO A 12 -15.494 7.684 5.009 1.00 0.00 C ATOM 146 C PRO A 12 -15.521 6.814 3.749 1.00 0.00 C ATOM 147 O PRO A 12 -16.528 6.224 3.412 1.00 0.00 O ATOM 148 CB PRO A 12 -15.878 9.129 4.676 1.00 0.00 C ATOM 149 CG PRO A 12 -14.550 9.899 4.479 1.00 0.00 C ATOM 150 CD PRO A 12 -13.452 9.073 5.177 1.00 0.00 C ATOM 0 HA PRO A 12 -16.177 7.214 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.489 9.171 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.467 9.570 5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.327 10.022 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.615 10.899 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.601 8.905 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.073 9.583 6.063 1.00 0.00 H new ATOM 158 N CYS A 13 -14.424 6.738 3.046 1.00 0.00 N ATOM 159 CA CYS A 13 -14.388 5.916 1.806 1.00 0.00 C ATOM 160 C CYS A 13 -14.694 4.454 2.139 1.00 0.00 C ATOM 161 O CYS A 13 -14.950 3.652 1.263 1.00 0.00 O ATOM 162 CB CYS A 13 -13.001 6.017 1.171 1.00 0.00 C ATOM 163 SG CYS A 13 -13.122 6.951 -0.374 1.00 0.00 S ATOM 0 H CYS A 13 -13.551 7.211 3.278 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.139 6.286 1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.310 6.510 1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.603 5.021 0.978 1.00 0.00 H new ATOM 168 N CYS A 14 -14.673 4.095 3.393 1.00 0.00 N ATOM 169 CA CYS A 14 -14.967 2.682 3.756 1.00 0.00 C ATOM 170 C CYS A 14 -15.958 2.640 4.921 1.00 0.00 C ATOM 171 O CYS A 14 -15.872 3.413 5.855 1.00 0.00 O ATOM 172 CB CYS A 14 -13.665 1.963 4.133 1.00 0.00 C ATOM 173 SG CYS A 14 -13.149 2.428 5.806 1.00 0.00 S ATOM 0 H CYS A 14 -14.466 4.715 4.176 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.413 2.174 2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.808 0.884 4.076 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.881 2.218 3.420 1.00 0.00 H new ATOM 178 N ASP A 15 -16.904 1.743 4.865 1.00 0.00 N ATOM 179 CA ASP A 15 -17.912 1.646 5.958 1.00 0.00 C ATOM 180 C ASP A 15 -17.277 1.012 7.195 1.00 0.00 C ATOM 181 O ASP A 15 -16.855 -0.129 7.173 1.00 0.00 O ATOM 182 CB ASP A 15 -19.081 0.776 5.492 1.00 0.00 C ATOM 183 CG ASP A 15 -20.324 1.102 6.323 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.162 1.596 7.427 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.416 0.851 5.841 1.00 0.00 O ATOM 0 H ASP A 15 -17.022 1.071 4.107 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.269 2.645 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.281 0.953 4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.827 -0.279 5.597 1.00 0.00 H new ATOM 190 N ALA A 16 -17.215 1.740 8.275 1.00 0.00 N ATOM 191 CA ALA A 16 -16.619 1.178 9.518 1.00 0.00 C ATOM 192 C ALA A 16 -17.499 0.030 10.018 1.00 0.00 C ATOM 193 O ALA A 16 -17.033 -0.886 10.667 1.00 0.00 O ATOM 194 CB ALA A 16 -16.547 2.271 10.585 1.00 0.00 C ATOM 0 H ALA A 16 -17.551 2.700 8.350 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.615 0.808 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.111 1.862 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.928 3.092 10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.551 2.639 10.797 1.00 0.00 H new ATOM 200 N ALA A 17 -18.769 0.074 9.718 1.00 0.00 N ATOM 201 CA ALA A 17 -19.681 -1.013 10.171 1.00 0.00 C ATOM 202 C ALA A 17 -19.176 -2.351 9.631 1.00 0.00 C ATOM 203 O ALA A 17 -19.333 -3.383 10.254 1.00 0.00 O ATOM 204 CB ALA A 17 -21.092 -0.749 9.641 1.00 0.00 C ATOM 0 H ALA A 17 -19.214 0.817 9.178 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.703 -1.042 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -21.760 -1.544 9.972 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.450 0.208 10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.072 -0.722 8.552 1.00 0.00 H new ATOM 210 N THR A 18 -18.567 -2.343 8.476 1.00 0.00 N ATOM 211 CA THR A 18 -18.051 -3.614 7.899 1.00 0.00 C ATOM 212 C THR A 18 -16.555 -3.471 7.603 1.00 0.00 C ATOM 213 O THR A 18 -15.926 -4.376 7.093 1.00 0.00 O ATOM 214 CB THR A 18 -18.802 -3.928 6.604 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.545 -2.908 5.649 1.00 0.00 O ATOM 216 CG2 THR A 18 -20.303 -4.002 6.887 1.00 0.00 C ATOM 0 H THR A 18 -18.405 -1.511 7.909 1.00 0.00 H new ATOM 0 HA THR A 18 -18.203 -4.425 8.611 1.00 0.00 H new ATOM 0 HB THR A 18 -18.463 -4.886 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.024 -3.109 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 18 -20.837 -4.226 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 18 -20.497 -4.787 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 18 -20.646 -3.046 7.282 1.00 0.00 H new ATOM 224 N CYS A 19 -15.980 -2.342 7.920 1.00 0.00 N ATOM 225 CA CYS A 19 -14.527 -2.148 7.656 1.00 0.00 C ATOM 226 C CYS A 19 -14.250 -2.333 6.164 1.00 0.00 C ATOM 227 O CYS A 19 -13.129 -2.559 5.755 1.00 0.00 O ATOM 228 CB CYS A 19 -13.724 -3.180 8.453 1.00 0.00 C ATOM 229 SG CYS A 19 -12.092 -2.503 8.856 1.00 0.00 S ATOM 0 H CYS A 19 -16.454 -1.547 8.350 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.234 -1.143 7.958 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.256 -3.442 9.368 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.615 -4.097 7.874 1.00 0.00 H new ATOM 234 N LYS A 20 -15.262 -2.243 5.345 1.00 0.00 N ATOM 235 CA LYS A 20 -15.045 -2.420 3.881 1.00 0.00 C ATOM 236 C LYS A 20 -15.337 -1.107 3.151 1.00 0.00 C ATOM 237 O LYS A 20 -15.633 -0.099 3.759 1.00 0.00 O ATOM 238 CB LYS A 20 -15.972 -3.516 3.352 1.00 0.00 C ATOM 239 CG LYS A 20 -15.811 -4.778 4.203 1.00 0.00 C ATOM 240 CD LYS A 20 -15.281 -5.917 3.331 1.00 0.00 C ATOM 241 CE LYS A 20 -16.355 -6.335 2.328 1.00 0.00 C ATOM 242 NZ LYS A 20 -16.169 -7.769 1.971 1.00 0.00 N ATOM 0 H LYS A 20 -16.225 -2.056 5.624 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.008 -2.706 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.007 -3.176 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.736 -3.735 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.125 -4.588 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.768 -5.058 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.382 -5.598 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.001 -6.766 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.346 -6.181 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.293 -5.715 1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.087 -8.257 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.773 -7.839 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.517 -8.214 2.648 1.00 0.00 H new ATOM 256 N LEU A 21 -15.250 -1.114 1.848 1.00 0.00 N ATOM 257 CA LEU A 21 -15.513 0.131 1.075 1.00 0.00 C ATOM 258 C LEU A 21 -17.019 0.371 0.963 1.00 0.00 C ATOM 259 O LEU A 21 -17.780 -0.521 0.643 1.00 0.00 O ATOM 260 CB LEU A 21 -14.911 -0.005 -0.323 1.00 0.00 C ATOM 261 CG LEU A 21 -13.424 0.338 -0.266 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.605 -0.880 -0.692 1.00 0.00 C ATOM 263 CD2 LEU A 21 -13.134 1.503 -1.211 1.00 0.00 C ATOM 0 H LEU A 21 -15.008 -1.930 1.286 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.057 0.976 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.048 -1.021 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.423 0.660 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.154 0.620 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.543 -0.637 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.812 -1.712 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.874 -1.162 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.073 1.749 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.403 1.221 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.719 2.371 -0.908 1.00 0.00 H new ATOM 275 N ARG A 22 -17.454 1.572 1.231 1.00 0.00 N ATOM 276 CA ARG A 22 -18.912 1.877 1.147 1.00 0.00 C ATOM 277 C ARG A 22 -19.288 2.252 -0.299 1.00 0.00 C ATOM 278 O ARG A 22 -20.177 1.654 -0.872 1.00 0.00 O ATOM 279 CB ARG A 22 -19.244 3.022 2.128 1.00 0.00 C ATOM 280 CG ARG A 22 -20.316 3.957 1.546 1.00 0.00 C ATOM 281 CD ARG A 22 -20.798 4.919 2.634 1.00 0.00 C ATOM 282 NE ARG A 22 -21.361 6.145 1.999 1.00 0.00 N ATOM 283 CZ ARG A 22 -22.566 6.547 2.306 1.00 0.00 C ATOM 284 NH1 ARG A 22 -22.831 6.949 3.518 1.00 0.00 N ATOM 285 NH2 ARG A 22 -23.504 6.546 1.399 1.00 0.00 N ATOM 0 H ARG A 22 -16.862 2.357 1.505 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.495 0.999 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.594 2.606 3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.340 3.591 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.908 4.517 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -21.154 3.374 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.555 4.436 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.971 5.184 3.292 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.805 6.670 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.098 6.950 4.227 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.772 7.263 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -23.297 6.232 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.445 6.860 1.638 1.00 0.00 H new ATOM 299 N PRO A 23 -18.612 3.234 -0.846 1.00 0.00 N ATOM 300 CA PRO A 23 -18.875 3.704 -2.218 1.00 0.00 C ATOM 301 C PRO A 23 -18.237 2.762 -3.246 1.00 0.00 C ATOM 302 O PRO A 23 -17.840 1.660 -2.930 1.00 0.00 O ATOM 303 CB PRO A 23 -18.214 5.083 -2.257 1.00 0.00 C ATOM 304 CG PRO A 23 -17.146 5.088 -1.137 1.00 0.00 C ATOM 305 CD PRO A 23 -17.529 3.962 -0.157 1.00 0.00 C ATOM 0 HA PRO A 23 -19.937 3.737 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -17.758 5.267 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -18.950 5.871 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.151 4.920 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.122 6.052 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.681 3.310 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -17.865 4.363 0.799 1.00 0.00 H new ATOM 313 N GLY A 24 -18.139 3.192 -4.476 1.00 0.00 N ATOM 314 CA GLY A 24 -17.532 2.325 -5.526 1.00 0.00 C ATOM 315 C GLY A 24 -16.012 2.501 -5.524 1.00 0.00 C ATOM 316 O GLY A 24 -15.386 2.588 -6.561 1.00 0.00 O ATOM 0 H GLY A 24 -18.454 4.107 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.787 1.281 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.937 2.584 -6.504 1.00 0.00 H new ATOM 320 N ALA A 25 -15.412 2.551 -4.366 1.00 0.00 N ATOM 321 CA ALA A 25 -13.933 2.719 -4.300 1.00 0.00 C ATOM 322 C ALA A 25 -13.269 1.348 -4.151 1.00 0.00 C ATOM 323 O ALA A 25 -13.778 0.471 -3.481 1.00 0.00 O ATOM 324 CB ALA A 25 -13.572 3.594 -3.096 1.00 0.00 C ATOM 0 H ALA A 25 -15.882 2.483 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.581 3.196 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.490 3.717 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.044 4.571 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.925 3.118 -2.181 1.00 0.00 H new ATOM 330 N GLN A 26 -12.135 1.154 -4.769 1.00 0.00 N ATOM 331 CA GLN A 26 -11.440 -0.160 -4.658 1.00 0.00 C ATOM 332 C GLN A 26 -10.702 -0.225 -3.319 1.00 0.00 C ATOM 333 O GLN A 26 -10.525 -1.282 -2.745 1.00 0.00 O ATOM 334 CB GLN A 26 -10.436 -0.305 -5.803 1.00 0.00 C ATOM 335 CG GLN A 26 -10.944 -1.347 -6.799 1.00 0.00 C ATOM 336 CD GLN A 26 -11.642 -0.642 -7.964 1.00 0.00 C ATOM 337 OE1 GLN A 26 -12.807 -0.874 -8.221 1.00 0.00 O ATOM 338 NE2 GLN A 26 -10.974 0.217 -8.685 1.00 0.00 N ATOM 0 H GLN A 26 -11.660 1.849 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.170 -0.968 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.298 0.654 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.463 -0.604 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.113 -1.948 -7.169 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.636 -2.030 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.996 0.412 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.430 0.693 -9.463 1.00 0.00 H new ATOM 347 N CYS A 27 -10.272 0.900 -2.820 1.00 0.00 N ATOM 348 CA CYS A 27 -9.548 0.917 -1.519 1.00 0.00 C ATOM 349 C CYS A 27 -9.947 2.186 -0.756 1.00 0.00 C ATOM 350 O CYS A 27 -10.202 3.220 -1.342 1.00 0.00 O ATOM 351 CB CYS A 27 -8.025 0.867 -1.793 1.00 0.00 C ATOM 352 SG CYS A 27 -7.101 2.012 -0.723 1.00 0.00 S ATOM 0 H CYS A 27 -10.392 1.813 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.810 0.053 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.662 -0.149 -1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.836 1.115 -2.837 1.00 0.00 H new ATOM 357 N GLY A 28 -10.004 2.116 0.545 1.00 0.00 N ATOM 358 CA GLY A 28 -10.386 3.317 1.337 1.00 0.00 C ATOM 359 C GLY A 28 -9.123 4.007 1.843 1.00 0.00 C ATOM 360 O GLY A 28 -9.137 5.171 2.193 1.00 0.00 O ATOM 0 H GLY A 28 -9.803 1.280 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.968 4.003 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.018 3.028 2.177 1.00 0.00 H new ATOM 364 N GLU A 29 -8.031 3.300 1.887 1.00 0.00 N ATOM 365 CA GLU A 29 -6.772 3.919 2.373 1.00 0.00 C ATOM 366 C GLU A 29 -5.591 3.009 2.032 1.00 0.00 C ATOM 367 O GLU A 29 -5.732 1.807 1.924 1.00 0.00 O ATOM 368 CB GLU A 29 -6.859 4.105 3.886 1.00 0.00 C ATOM 369 CG GLU A 29 -6.793 2.740 4.572 1.00 0.00 C ATOM 370 CD GLU A 29 -5.382 2.512 5.121 1.00 0.00 C ATOM 371 OE1 GLU A 29 -4.955 3.303 5.946 1.00 0.00 O ATOM 372 OE2 GLU A 29 -4.754 1.553 4.705 1.00 0.00 O ATOM 0 H GLU A 29 -7.957 2.322 1.608 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.628 4.887 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.042 4.738 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.788 4.611 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.522 2.692 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.051 1.952 3.864 1.00 0.00 H new ATOM 379 N GLY A 30 -4.425 3.571 1.860 1.00 0.00 N ATOM 380 CA GLY A 30 -3.238 2.734 1.527 1.00 0.00 C ATOM 381 C GLY A 30 -2.147 3.617 0.913 1.00 0.00 C ATOM 382 O GLY A 30 -2.390 4.745 0.533 1.00 0.00 O ATOM 0 H GLY A 30 -4.244 4.572 1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.862 2.244 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.519 1.946 0.828 1.00 0.00 H new ATOM 386 N LEU A 31 -0.947 3.113 0.815 1.00 0.00 N ATOM 387 CA LEU A 31 0.156 3.925 0.226 1.00 0.00 C ATOM 388 C LEU A 31 -0.141 4.192 -1.250 1.00 0.00 C ATOM 389 O LEU A 31 0.098 5.271 -1.756 1.00 0.00 O ATOM 390 CB LEU A 31 1.477 3.162 0.348 1.00 0.00 C ATOM 391 CG LEU A 31 2.177 3.552 1.651 1.00 0.00 C ATOM 392 CD1 LEU A 31 3.084 2.410 2.109 1.00 0.00 C ATOM 393 CD2 LEU A 31 3.022 4.807 1.418 1.00 0.00 C ATOM 0 H LEU A 31 -0.683 2.175 1.117 1.00 0.00 H new ATOM 0 HA LEU A 31 0.233 4.872 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.291 2.088 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.119 3.388 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 31 1.428 3.750 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.581 2.690 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.486 1.514 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.833 2.210 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.522 5.087 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.769 4.605 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.378 5.624 1.092 1.00 0.00 H new ATOM 405 N CYS A 32 -0.661 3.219 -1.947 1.00 0.00 N ATOM 406 CA CYS A 32 -0.971 3.418 -3.390 1.00 0.00 C ATOM 407 C CYS A 32 -2.485 3.419 -3.596 1.00 0.00 C ATOM 408 O CYS A 32 -3.039 2.526 -4.205 1.00 0.00 O ATOM 409 CB CYS A 32 -0.341 2.290 -4.209 1.00 0.00 C ATOM 410 SG CYS A 32 1.454 2.517 -4.262 1.00 0.00 S ATOM 0 H CYS A 32 -0.884 2.294 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.564 4.374 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.584 1.324 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.749 2.288 -5.220 1.00 0.00 H new ATOM 415 N CYS A 33 -3.160 4.419 -3.096 1.00 0.00 N ATOM 416 CA CYS A 33 -4.637 4.479 -3.266 1.00 0.00 C ATOM 417 C CYS A 33 -5.041 5.886 -3.718 1.00 0.00 C ATOM 418 O CYS A 33 -5.069 6.816 -2.937 1.00 0.00 O ATOM 419 CB CYS A 33 -5.318 4.148 -1.935 1.00 0.00 C ATOM 420 SG CYS A 33 -5.382 2.351 -1.729 1.00 0.00 S ATOM 0 H CYS A 33 -2.751 5.196 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.948 3.755 -4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.769 4.601 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.325 4.564 -1.915 1.00 0.00 H new ATOM 425 N GLU A 34 -5.356 6.046 -4.975 1.00 0.00 N ATOM 426 CA GLU A 34 -5.761 7.384 -5.483 1.00 0.00 C ATOM 427 C GLU A 34 -7.274 7.400 -5.683 1.00 0.00 C ATOM 428 O GLU A 34 -7.834 6.529 -6.318 1.00 0.00 O ATOM 429 CB GLU A 34 -5.069 7.656 -6.820 1.00 0.00 C ATOM 430 CG GLU A 34 -3.553 7.568 -6.636 1.00 0.00 C ATOM 431 CD GLU A 34 -3.018 8.917 -6.150 1.00 0.00 C ATOM 432 OE1 GLU A 34 -2.726 9.753 -6.991 1.00 0.00 O ATOM 433 OE2 GLU A 34 -2.909 9.091 -4.948 1.00 0.00 O ATOM 0 H GLU A 34 -5.350 5.303 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.473 8.153 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.398 6.933 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.345 8.643 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.308 6.787 -5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.077 7.294 -7.578 1.00 0.00 H new ATOM 440 N GLN A 35 -7.944 8.375 -5.141 1.00 0.00 N ATOM 441 CA GLN A 35 -9.418 8.426 -5.298 1.00 0.00 C ATOM 442 C GLN A 35 -10.023 7.176 -4.660 1.00 0.00 C ATOM 443 O GLN A 35 -11.047 6.680 -5.085 1.00 0.00 O ATOM 444 CB GLN A 35 -9.775 8.463 -6.786 1.00 0.00 C ATOM 445 CG GLN A 35 -10.461 9.790 -7.114 1.00 0.00 C ATOM 446 CD GLN A 35 -11.721 9.525 -7.939 1.00 0.00 C ATOM 447 OE1 GLN A 35 -11.652 8.955 -9.010 1.00 0.00 O ATOM 448 NE2 GLN A 35 -12.878 9.918 -7.482 1.00 0.00 N ATOM 0 H GLN A 35 -7.535 9.136 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.812 9.320 -4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.875 8.348 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.433 7.630 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.720 10.314 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.780 10.436 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.935 10.396 -6.583 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.725 9.747 -8.024 1.00 0.00 H new ATOM 457 N CYS A 36 -9.387 6.658 -3.644 1.00 0.00 N ATOM 458 CA CYS A 36 -9.913 5.436 -2.979 1.00 0.00 C ATOM 459 C CYS A 36 -9.948 4.289 -3.989 1.00 0.00 C ATOM 460 O CYS A 36 -10.909 3.551 -4.072 1.00 0.00 O ATOM 461 CB CYS A 36 -11.324 5.705 -2.455 1.00 0.00 C ATOM 462 SG CYS A 36 -11.246 6.923 -1.121 1.00 0.00 S ATOM 0 H CYS A 36 -8.525 7.031 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.267 5.166 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.959 6.072 -3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.772 4.780 -2.092 1.00 0.00 H new ATOM 467 N LYS A 37 -8.906 4.135 -4.759 1.00 0.00 N ATOM 468 CA LYS A 37 -8.880 3.037 -5.763 1.00 0.00 C ATOM 469 C LYS A 37 -7.483 2.414 -5.807 1.00 0.00 C ATOM 470 O LYS A 37 -6.494 3.066 -5.536 1.00 0.00 O ATOM 471 CB LYS A 37 -9.231 3.599 -7.142 1.00 0.00 C ATOM 472 CG LYS A 37 -10.716 3.963 -7.179 1.00 0.00 C ATOM 473 CD LYS A 37 -11.174 4.092 -8.633 1.00 0.00 C ATOM 474 CE LYS A 37 -10.980 5.535 -9.102 1.00 0.00 C ATOM 475 NZ LYS A 37 -9.567 5.730 -9.536 1.00 0.00 N ATOM 0 H LYS A 37 -8.072 4.722 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.607 2.275 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.624 4.479 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.006 2.864 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.302 3.198 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.885 4.900 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.604 3.413 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.222 3.807 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.659 5.755 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.223 6.227 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.535 6.416 -10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.005 6.088 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.174 4.822 -9.857 1.00 0.00 H new ATOM 489 N PHE A 38 -7.394 1.157 -6.144 1.00 0.00 N ATOM 490 CA PHE A 38 -6.061 0.494 -6.204 1.00 0.00 C ATOM 491 C PHE A 38 -5.262 1.060 -7.379 1.00 0.00 C ATOM 492 O PHE A 38 -5.528 0.752 -8.525 1.00 0.00 O ATOM 493 CB PHE A 38 -6.244 -1.012 -6.399 1.00 0.00 C ATOM 494 CG PHE A 38 -6.813 -1.622 -5.141 1.00 0.00 C ATOM 495 CD1 PHE A 38 -6.180 -1.413 -3.910 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.974 -2.401 -5.208 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.709 -1.982 -2.745 1.00 0.00 C ATOM 498 CE2 PHE A 38 -8.504 -2.970 -4.044 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.872 -2.759 -2.812 1.00 0.00 C ATOM 0 H PHE A 38 -8.187 0.560 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.526 0.679 -5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.911 -1.201 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.288 -1.476 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.284 -0.813 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.461 -2.563 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.220 -1.822 -1.795 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.400 -3.571 -4.096 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.282 -3.196 -1.913 1.00 0.00 H new ATOM 509 N SER A 39 -4.285 1.879 -7.109 1.00 0.00 N ATOM 510 CA SER A 39 -3.473 2.455 -8.218 1.00 0.00 C ATOM 511 C SER A 39 -2.997 1.324 -9.131 1.00 0.00 C ATOM 512 O SER A 39 -3.303 0.169 -8.914 1.00 0.00 O ATOM 513 CB SER A 39 -2.263 3.188 -7.640 1.00 0.00 C ATOM 514 OG SER A 39 -2.584 3.678 -6.345 1.00 0.00 O ATOM 0 H SER A 39 -4.013 2.174 -6.171 1.00 0.00 H new ATOM 0 HA SER A 39 -4.080 3.158 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.408 2.514 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.977 4.013 -8.293 1.00 0.00 H new ATOM 0 HG SER A 39 -2.591 2.935 -5.706 1.00 0.00 H new ATOM 520 N ARG A 40 -2.250 1.647 -10.149 1.00 0.00 N ATOM 521 CA ARG A 40 -1.754 0.588 -11.073 1.00 0.00 C ATOM 522 C ARG A 40 -0.326 0.203 -10.683 1.00 0.00 C ATOM 523 O ARG A 40 0.423 1.009 -10.171 1.00 0.00 O ATOM 524 CB ARG A 40 -1.762 1.119 -12.506 1.00 0.00 C ATOM 525 CG ARG A 40 -1.179 2.537 -12.527 1.00 0.00 C ATOM 526 CD ARG A 40 -0.903 2.986 -13.970 1.00 0.00 C ATOM 527 NE ARG A 40 -1.089 1.846 -14.915 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.055 1.312 -15.505 1.00 0.00 C ATOM 529 NH1 ARG A 40 0.958 0.898 -14.794 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.034 1.190 -16.803 1.00 0.00 N ATOM 0 H ARG A 40 -1.961 2.597 -10.382 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.400 -0.287 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.177 0.464 -13.152 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.779 1.126 -12.897 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.874 3.229 -12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.256 2.565 -11.949 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.574 3.802 -14.238 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.114 3.370 -14.050 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.025 1.484 -15.100 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.941 0.992 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.767 0.480 -15.254 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.827 1.512 -17.358 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.775 0.772 -17.263 1.00 0.00 H new ATOM 544 N ALA A 41 0.059 -1.021 -10.923 1.00 0.00 N ATOM 545 CA ALA A 41 1.443 -1.445 -10.568 1.00 0.00 C ATOM 546 C ALA A 41 2.430 -0.380 -11.041 1.00 0.00 C ATOM 547 O ALA A 41 2.072 0.540 -11.749 1.00 0.00 O ATOM 548 CB ALA A 41 1.762 -2.781 -11.243 1.00 0.00 C ATOM 0 H ALA A 41 -0.523 -1.743 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 41 1.524 -1.564 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.775 -3.088 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.054 -3.538 -10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.685 -2.670 -12.325 1.00 0.00 H new ATOM 554 N GLY A 42 3.667 -0.487 -10.648 1.00 0.00 N ATOM 555 CA GLY A 42 4.663 0.533 -11.071 1.00 0.00 C ATOM 556 C GLY A 42 4.357 1.842 -10.343 1.00 0.00 C ATOM 557 O GLY A 42 4.776 2.907 -10.751 1.00 0.00 O ATOM 0 H GLY A 42 4.030 -1.233 -10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.673 0.196 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.619 0.681 -12.150 1.00 0.00 H new ATOM 561 N LYS A 43 3.619 1.767 -9.266 1.00 0.00 N ATOM 562 CA LYS A 43 3.275 3.006 -8.510 1.00 0.00 C ATOM 563 C LYS A 43 4.285 3.214 -7.379 1.00 0.00 C ATOM 564 O LYS A 43 4.424 2.393 -6.494 1.00 0.00 O ATOM 565 CB LYS A 43 1.865 2.871 -7.929 1.00 0.00 C ATOM 566 CG LYS A 43 1.633 3.961 -6.880 1.00 0.00 C ATOM 567 CD LYS A 43 1.680 5.333 -7.554 1.00 0.00 C ATOM 568 CE LYS A 43 0.418 5.533 -8.394 1.00 0.00 C ATOM 569 NZ LYS A 43 -0.475 6.518 -7.723 1.00 0.00 N ATOM 0 H LYS A 43 3.241 0.903 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 43 3.308 3.865 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.124 2.954 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.740 1.886 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.668 3.815 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.394 3.900 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.756 6.117 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.565 5.410 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.684 5.887 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.101 4.583 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.121 6.934 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.028 6.038 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.100 7.270 -7.292 1.00 0.00 H new ATOM 583 N ILE A 44 4.995 4.307 -7.410 1.00 0.00 N ATOM 584 CA ILE A 44 6.007 4.581 -6.352 1.00 0.00 C ATOM 585 C ILE A 44 5.328 4.707 -4.985 1.00 0.00 C ATOM 586 O ILE A 44 4.503 5.572 -4.767 1.00 0.00 O ATOM 587 CB ILE A 44 6.738 5.887 -6.678 1.00 0.00 C ATOM 588 CG1 ILE A 44 7.661 6.272 -5.517 1.00 0.00 C ATOM 589 CG2 ILE A 44 5.718 7.005 -6.903 1.00 0.00 C ATOM 590 CD1 ILE A 44 9.013 5.585 -5.693 1.00 0.00 C ATOM 0 H ILE A 44 4.917 5.027 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 44 6.717 3.755 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 44 7.332 5.745 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.792 7.354 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.212 5.978 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.241 7.933 -7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.064 6.739 -7.734 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.121 7.140 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.670 5.858 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.873 4.504 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.462 5.901 -6.634 1.00 0.00 H new ATOM 602 N CYS A 45 5.685 3.860 -4.058 1.00 0.00 N ATOM 603 CA CYS A 45 5.080 3.942 -2.698 1.00 0.00 C ATOM 604 C CYS A 45 6.172 4.307 -1.685 1.00 0.00 C ATOM 605 O CYS A 45 5.894 4.613 -0.541 1.00 0.00 O ATOM 606 CB CYS A 45 4.462 2.593 -2.324 1.00 0.00 C ATOM 607 SG CYS A 45 5.564 1.258 -2.844 1.00 0.00 S ATOM 0 H CYS A 45 6.370 3.115 -4.184 1.00 0.00 H new ATOM 0 HA CYS A 45 4.301 4.704 -2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.296 2.543 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.489 2.482 -2.802 1.00 0.00 H new ATOM 612 N ARG A 46 7.412 4.285 -2.100 1.00 0.00 N ATOM 613 CA ARG A 46 8.524 4.639 -1.171 1.00 0.00 C ATOM 614 C ARG A 46 9.532 5.514 -1.908 1.00 0.00 C ATOM 615 O ARG A 46 9.624 5.491 -3.120 1.00 0.00 O ATOM 616 CB ARG A 46 9.210 3.368 -0.666 1.00 0.00 C ATOM 617 CG ARG A 46 9.624 3.561 0.794 1.00 0.00 C ATOM 618 CD ARG A 46 10.047 2.218 1.391 1.00 0.00 C ATOM 619 NE ARG A 46 9.813 2.234 2.863 1.00 0.00 N ATOM 620 CZ ARG A 46 8.805 1.581 3.372 1.00 0.00 C ATOM 621 NH1 ARG A 46 8.458 0.425 2.876 1.00 0.00 N ATOM 622 NH2 ARG A 46 8.143 2.083 4.379 1.00 0.00 N ATOM 0 H ARG A 46 7.702 4.036 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 46 8.123 5.183 -0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.535 2.517 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.085 3.146 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.446 4.274 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.795 3.979 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.481 1.408 0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.100 2.030 1.181 1.00 0.00 H new ATOM 0 HE ARG A 46 10.442 2.756 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.975 0.031 2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.670 -0.085 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.414 2.986 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.355 1.572 4.777 1.00 0.00 H new ATOM 636 N ILE A 47 10.268 6.311 -1.187 1.00 0.00 N ATOM 637 CA ILE A 47 11.245 7.217 -1.845 1.00 0.00 C ATOM 638 C ILE A 47 12.608 7.095 -1.147 1.00 0.00 C ATOM 639 O ILE A 47 12.669 6.842 0.040 1.00 0.00 O ATOM 640 CB ILE A 47 10.734 8.665 -1.745 1.00 0.00 C ATOM 641 CG1 ILE A 47 9.208 8.698 -1.573 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.083 9.416 -3.023 1.00 0.00 C ATOM 643 CD1 ILE A 47 8.856 9.327 -0.223 1.00 0.00 C ATOM 0 H ILE A 47 10.234 6.373 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 47 11.356 6.942 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 47 11.206 9.131 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.753 9.270 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.804 7.687 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.721 10.442 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.165 9.421 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.613 8.923 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.773 9.349 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.298 8.737 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.246 10.344 -0.183 1.00 0.00 H new ATOM 655 N PRO A 48 13.662 7.282 -1.907 1.00 0.00 N ATOM 656 CA PRO A 48 15.039 7.200 -1.386 1.00 0.00 C ATOM 657 C PRO A 48 15.398 8.478 -0.622 1.00 0.00 C ATOM 658 O PRO A 48 16.073 9.350 -1.132 1.00 0.00 O ATOM 659 CB PRO A 48 15.895 7.060 -2.650 1.00 0.00 C ATOM 660 CG PRO A 48 15.050 7.621 -3.815 1.00 0.00 C ATOM 661 CD PRO A 48 13.582 7.590 -3.351 1.00 0.00 C ATOM 0 HA PRO A 48 15.184 6.377 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 48 16.830 7.611 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 48 16.157 6.017 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.357 8.638 -4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.184 7.021 -4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 48 13.089 8.546 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.011 6.833 -3.888 1.00 0.00 H new ATOM 669 N ARG A 49 14.954 8.593 0.601 1.00 0.00 N ATOM 670 CA ARG A 49 15.274 9.812 1.396 1.00 0.00 C ATOM 671 C ARG A 49 16.497 9.539 2.272 1.00 0.00 C ATOM 672 O ARG A 49 16.593 10.014 3.386 1.00 0.00 O ATOM 673 CB ARG A 49 14.080 10.170 2.283 1.00 0.00 C ATOM 674 CG ARG A 49 13.740 8.985 3.188 1.00 0.00 C ATOM 675 CD ARG A 49 12.609 9.380 4.140 1.00 0.00 C ATOM 676 NE ARG A 49 11.457 8.454 3.956 1.00 0.00 N ATOM 677 CZ ARG A 49 10.262 8.934 3.746 1.00 0.00 C ATOM 678 NH1 ARG A 49 10.099 9.943 2.934 1.00 0.00 N ATOM 679 NH2 ARG A 49 9.233 8.409 4.350 1.00 0.00 N ATOM 0 H ARG A 49 14.385 7.897 1.082 1.00 0.00 H new ATOM 0 HA ARG A 49 15.487 10.642 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.313 11.047 2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.220 10.428 1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.440 8.128 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.620 8.683 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.958 9.342 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.298 10.407 3.946 1.00 0.00 H new ATOM 0 HE ARG A 49 11.602 7.445 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.905 10.355 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.165 10.319 2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.362 7.623 4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.299 8.784 4.186 1.00 0.00 H new ATOM 693 N GLY A 50 17.433 8.775 1.779 1.00 0.00 N ATOM 694 CA GLY A 50 18.650 8.470 2.582 1.00 0.00 C ATOM 695 C GLY A 50 18.972 6.977 2.474 1.00 0.00 C ATOM 696 O GLY A 50 18.649 6.198 3.350 1.00 0.00 O ATOM 0 H GLY A 50 17.407 8.348 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.493 9.061 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.489 8.744 3.625 1.00 0.00 H new ATOM 700 N GLU A 51 19.605 6.574 1.408 1.00 0.00 N ATOM 701 CA GLU A 51 19.947 5.133 1.245 1.00 0.00 C ATOM 702 C GLU A 51 18.673 4.290 1.340 1.00 0.00 C ATOM 703 O GLU A 51 18.648 3.256 1.977 1.00 0.00 O ATOM 704 CB GLU A 51 20.923 4.712 2.347 1.00 0.00 C ATOM 705 CG GLU A 51 22.341 4.655 1.779 1.00 0.00 C ATOM 706 CD GLU A 51 22.834 3.207 1.783 1.00 0.00 C ATOM 707 OE1 GLU A 51 23.290 2.759 2.823 1.00 0.00 O ATOM 708 OE2 GLU A 51 22.746 2.569 0.747 1.00 0.00 O ATOM 0 H GLU A 51 19.900 7.180 0.642 1.00 0.00 H new ATOM 0 HA GLU A 51 20.411 4.978 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.880 5.419 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.640 3.738 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.354 5.052 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.008 5.279 2.374 1.00 0.00 H new ATOM 715 N MET A 52 17.616 4.723 0.710 1.00 0.00 N ATOM 716 CA MET A 52 16.346 3.945 0.763 1.00 0.00 C ATOM 717 C MET A 52 15.901 3.607 -0.666 1.00 0.00 C ATOM 718 O MET A 52 15.823 4.479 -1.503 1.00 0.00 O ATOM 719 CB MET A 52 15.266 4.785 1.446 1.00 0.00 C ATOM 720 CG MET A 52 15.138 4.355 2.907 1.00 0.00 C ATOM 721 SD MET A 52 14.493 5.731 3.890 1.00 0.00 S ATOM 722 CE MET A 52 14.243 4.809 5.427 1.00 0.00 C ATOM 0 H MET A 52 17.577 5.582 0.161 1.00 0.00 H new ATOM 0 HA MET A 52 16.502 3.025 1.326 1.00 0.00 H new ATOM 0 HB2 MET A 52 15.521 5.843 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 52 14.313 4.658 0.933 1.00 0.00 H new ATOM 0 HG2 MET A 52 14.473 3.495 2.987 1.00 0.00 H new ATOM 0 HG3 MET A 52 16.109 4.044 3.292 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.841 5.476 6.190 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.541 3.993 5.252 1.00 0.00 H new ATOM 0 HE3 MET A 52 15.196 4.402 5.766 1.00 0.00 H new ATOM 732 N PRO A 53 15.627 2.348 -0.907 1.00 0.00 N ATOM 733 CA PRO A 53 15.192 1.877 -2.235 1.00 0.00 C ATOM 734 C PRO A 53 13.719 2.220 -2.481 1.00 0.00 C ATOM 735 O PRO A 53 12.849 1.856 -1.715 1.00 0.00 O ATOM 736 CB PRO A 53 15.394 0.361 -2.162 1.00 0.00 C ATOM 737 CG PRO A 53 15.385 -0.008 -0.660 1.00 0.00 C ATOM 738 CD PRO A 53 15.720 1.282 0.111 1.00 0.00 C ATOM 0 HA PRO A 53 15.746 2.340 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.601 -0.163 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.336 0.072 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.411 -0.396 -0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.117 -0.787 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.019 1.450 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.717 1.236 0.550 1.00 0.00 H new ATOM 746 N ASP A 54 13.433 2.911 -3.553 1.00 0.00 N ATOM 747 CA ASP A 54 12.017 3.265 -3.857 1.00 0.00 C ATOM 748 C ASP A 54 11.187 1.982 -3.881 1.00 0.00 C ATOM 749 O ASP A 54 11.715 0.889 -3.819 1.00 0.00 O ATOM 750 CB ASP A 54 11.926 3.936 -5.231 1.00 0.00 C ATOM 751 CG ASP A 54 13.137 4.848 -5.451 1.00 0.00 C ATOM 752 OD1 ASP A 54 14.249 4.379 -5.282 1.00 0.00 O ATOM 753 OD2 ASP A 54 12.927 6.001 -5.790 1.00 0.00 O ATOM 0 H ASP A 54 14.119 3.245 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 54 11.644 3.951 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.885 3.178 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.006 4.516 -5.301 1.00 0.00 H new ATOM 758 N ASP A 55 9.895 2.101 -3.978 1.00 0.00 N ATOM 759 CA ASP A 55 9.038 0.884 -4.015 1.00 0.00 C ATOM 760 C ASP A 55 7.896 1.102 -5.009 1.00 0.00 C ATOM 761 O ASP A 55 7.245 2.129 -5.005 1.00 0.00 O ATOM 762 CB ASP A 55 8.461 0.615 -2.623 1.00 0.00 C ATOM 763 CG ASP A 55 9.567 0.112 -1.691 1.00 0.00 C ATOM 764 OD1 ASP A 55 10.659 0.652 -1.753 1.00 0.00 O ATOM 765 OD2 ASP A 55 9.301 -0.804 -0.930 1.00 0.00 O ATOM 0 H ASP A 55 9.394 2.988 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 55 9.636 0.028 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.020 1.527 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.663 -0.124 -2.687 1.00 0.00 H new ATOM 770 N ARG A 56 7.650 0.148 -5.864 1.00 0.00 N ATOM 771 CA ARG A 56 6.553 0.305 -6.860 1.00 0.00 C ATOM 772 C ARG A 56 5.413 -0.659 -6.524 1.00 0.00 C ATOM 773 O ARG A 56 5.572 -1.862 -6.573 1.00 0.00 O ATOM 774 CB ARG A 56 7.087 -0.012 -8.257 1.00 0.00 C ATOM 775 CG ARG A 56 8.101 1.054 -8.675 1.00 0.00 C ATOM 776 CD ARG A 56 7.376 2.370 -8.959 1.00 0.00 C ATOM 777 NE ARG A 56 8.360 3.490 -8.962 1.00 0.00 N ATOM 778 CZ ARG A 56 9.396 3.447 -9.755 1.00 0.00 C ATOM 779 NH1 ARG A 56 9.255 3.695 -11.029 1.00 0.00 N ATOM 780 NH2 ARG A 56 10.576 3.160 -9.273 1.00 0.00 N ATOM 0 H ARG A 56 8.161 -0.733 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 56 6.183 1.330 -6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.556 -0.996 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.265 -0.046 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.839 1.197 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.642 0.727 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.867 2.317 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.611 2.546 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 56 8.224 4.290 -8.344 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.335 3.923 -11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.065 3.661 -11.648 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.688 2.970 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.386 3.126 -9.893 1.00 0.00 H new ATOM 794 N CYS A 57 4.262 -0.144 -6.187 1.00 0.00 N ATOM 795 CA CYS A 57 3.119 -1.042 -5.858 1.00 0.00 C ATOM 796 C CYS A 57 2.796 -1.903 -7.078 1.00 0.00 C ATOM 797 O CYS A 57 3.138 -1.561 -8.193 1.00 0.00 O ATOM 798 CB CYS A 57 1.893 -0.207 -5.490 1.00 0.00 C ATOM 799 SG CYS A 57 2.199 0.668 -3.936 1.00 0.00 S ATOM 0 H CYS A 57 4.064 0.855 -6.125 1.00 0.00 H new ATOM 0 HA CYS A 57 3.387 -1.677 -5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.675 0.507 -6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.019 -0.850 -5.391 1.00 0.00 H new ATOM 804 N THR A 58 2.140 -3.015 -6.876 1.00 0.00 N ATOM 805 CA THR A 58 1.797 -3.899 -8.026 1.00 0.00 C ATOM 806 C THR A 58 0.450 -3.477 -8.614 1.00 0.00 C ATOM 807 O THR A 58 -0.105 -4.150 -9.461 1.00 0.00 O ATOM 808 CB THR A 58 1.708 -5.350 -7.546 1.00 0.00 C ATOM 809 OG1 THR A 58 0.563 -5.503 -6.719 1.00 0.00 O ATOM 810 CG2 THR A 58 2.966 -5.706 -6.753 1.00 0.00 C ATOM 0 H THR A 58 1.827 -3.348 -5.964 1.00 0.00 H new ATOM 0 HA THR A 58 2.570 -3.813 -8.790 1.00 0.00 H new ATOM 0 HB THR A 58 1.626 -6.014 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.503 -6.432 -6.412 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.901 -6.739 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.843 -5.589 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.052 -5.044 -5.891 1.00 0.00 H new ATOM 818 N GLY A 59 -0.083 -2.371 -8.174 1.00 0.00 N ATOM 819 CA GLY A 59 -1.396 -1.914 -8.711 1.00 0.00 C ATOM 820 C GLY A 59 -2.525 -2.634 -7.972 1.00 0.00 C ATOM 821 O GLY A 59 -3.398 -2.014 -7.399 1.00 0.00 O ATOM 0 H GLY A 59 0.333 -1.765 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.496 -0.836 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.456 -2.120 -9.780 1.00 0.00 H new ATOM 825 N GLN A 60 -2.513 -3.939 -7.980 1.00 0.00 N ATOM 826 CA GLN A 60 -3.586 -4.695 -7.274 1.00 0.00 C ATOM 827 C GLN A 60 -3.395 -4.554 -5.764 1.00 0.00 C ATOM 828 O GLN A 60 -4.246 -4.930 -4.983 1.00 0.00 O ATOM 829 CB GLN A 60 -3.510 -6.173 -7.663 1.00 0.00 C ATOM 830 CG GLN A 60 -3.754 -6.318 -9.165 1.00 0.00 C ATOM 831 CD GLN A 60 -2.524 -6.947 -9.823 1.00 0.00 C ATOM 832 OE1 GLN A 60 -1.570 -6.262 -10.136 1.00 0.00 O ATOM 833 NE2 GLN A 60 -2.506 -8.232 -10.048 1.00 0.00 N ATOM 0 H GLN A 60 -1.809 -4.513 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.560 -4.296 -7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.533 -6.579 -7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.252 -6.745 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.632 -6.938 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.957 -5.343 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.307 -8.807 -9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.691 -8.662 -10.486 1.00 0.00 H new ATOM 842 N SER A 61 -2.283 -4.014 -5.344 1.00 0.00 N ATOM 843 CA SER A 61 -2.039 -3.848 -3.884 1.00 0.00 C ATOM 844 C SER A 61 -2.132 -2.366 -3.517 1.00 0.00 C ATOM 845 O SER A 61 -1.537 -1.520 -4.156 1.00 0.00 O ATOM 846 CB SER A 61 -0.644 -4.374 -3.538 1.00 0.00 C ATOM 847 OG SER A 61 -0.456 -4.310 -2.131 1.00 0.00 O ATOM 0 H SER A 61 -1.533 -3.681 -5.950 1.00 0.00 H new ATOM 0 HA SER A 61 -2.788 -4.408 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.533 -5.401 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.117 -3.782 -4.046 1.00 0.00 H new ATOM 0 HG SER A 61 0.006 -3.477 -1.900 1.00 0.00 H new ATOM 853 N ALA A 62 -2.874 -2.044 -2.495 1.00 0.00 N ATOM 854 CA ALA A 62 -3.007 -0.616 -2.088 1.00 0.00 C ATOM 855 C ALA A 62 -1.868 -0.246 -1.135 1.00 0.00 C ATOM 856 O ALA A 62 -1.391 0.871 -1.129 1.00 0.00 O ATOM 857 CB ALA A 62 -4.352 -0.411 -1.388 1.00 0.00 C ATOM 0 H ALA A 62 -3.395 -2.708 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.957 0.021 -2.971 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.451 0.633 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.161 -0.672 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.403 -1.048 -0.505 1.00 0.00 H new ATOM 863 N ASP A 63 -1.424 -1.175 -0.332 1.00 0.00 N ATOM 864 CA ASP A 63 -0.313 -0.866 0.613 1.00 0.00 C ATOM 865 C ASP A 63 1.027 -1.107 -0.083 1.00 0.00 C ATOM 866 O ASP A 63 1.080 -1.560 -1.210 1.00 0.00 O ATOM 867 CB ASP A 63 -0.416 -1.769 1.844 1.00 0.00 C ATOM 868 CG ASP A 63 -1.841 -1.723 2.398 1.00 0.00 C ATOM 869 OD1 ASP A 63 -2.195 -0.717 2.989 1.00 0.00 O ATOM 870 OD2 ASP A 63 -2.555 -2.699 2.224 1.00 0.00 O ATOM 0 H ASP A 63 -1.780 -2.130 -0.289 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.383 0.176 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.151 -2.793 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.292 -1.443 2.606 1.00 0.00 H new ATOM 875 N CYS A 64 2.112 -0.807 0.577 1.00 0.00 N ATOM 876 CA CYS A 64 3.445 -1.019 -0.051 1.00 0.00 C ATOM 877 C CYS A 64 4.352 -1.784 0.907 1.00 0.00 C ATOM 878 O CYS A 64 4.440 -1.457 2.074 1.00 0.00 O ATOM 879 CB CYS A 64 4.082 0.330 -0.385 1.00 0.00 C ATOM 880 SG CYS A 64 5.660 0.056 -1.225 1.00 0.00 S ATOM 0 H CYS A 64 2.132 -0.425 1.522 1.00 0.00 H new ATOM 0 HA CYS A 64 3.317 -1.595 -0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.415 0.912 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.238 0.907 0.527 1.00 0.00 H new ATOM 885 N PRO A 65 5.000 -2.785 0.377 1.00 0.00 N ATOM 886 CA PRO A 65 5.915 -3.628 1.150 1.00 0.00 C ATOM 887 C PRO A 65 7.269 -2.933 1.312 1.00 0.00 C ATOM 888 O PRO A 65 7.380 -1.731 1.172 1.00 0.00 O ATOM 889 CB PRO A 65 6.046 -4.883 0.288 1.00 0.00 C ATOM 890 CG PRO A 65 5.672 -4.479 -1.154 1.00 0.00 C ATOM 891 CD PRO A 65 4.881 -3.172 -1.048 1.00 0.00 C ATOM 0 HA PRO A 65 5.561 -3.841 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.063 -5.274 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.387 -5.671 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.566 -4.343 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.075 -5.256 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.292 -2.404 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.839 -3.313 -1.336 1.00 0.00 H new ATOM 899 N ARG A 66 8.301 -3.676 1.603 1.00 0.00 N ATOM 900 CA ARG A 66 9.644 -3.051 1.770 1.00 0.00 C ATOM 901 C ARG A 66 10.609 -3.634 0.736 1.00 0.00 C ATOM 902 O ARG A 66 10.930 -4.806 0.763 1.00 0.00 O ATOM 903 CB ARG A 66 10.170 -3.338 3.178 1.00 0.00 C ATOM 904 CG ARG A 66 9.839 -2.161 4.099 1.00 0.00 C ATOM 905 CD ARG A 66 10.766 -0.985 3.778 1.00 0.00 C ATOM 906 NE ARG A 66 12.155 -1.315 4.207 1.00 0.00 N ATOM 907 CZ ARG A 66 13.128 -0.483 3.959 1.00 0.00 C ATOM 908 NH1 ARG A 66 13.595 -0.368 2.744 1.00 0.00 N ATOM 909 NH2 ARG A 66 13.635 0.235 4.924 1.00 0.00 N ATOM 0 H ARG A 66 8.273 -4.687 1.732 1.00 0.00 H new ATOM 0 HA ARG A 66 9.564 -1.974 1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.722 -4.253 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.248 -3.498 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.798 -1.864 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.957 -2.457 5.141 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.745 -0.773 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.420 -0.086 4.288 1.00 0.00 H new ATOM 0 HE ARG A 66 12.344 -2.191 4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.198 -0.929 1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.356 0.283 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.270 0.145 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.396 0.886 4.730 1.00 0.00 H new ATOM 923 N TYR A 67 11.075 -2.826 -0.178 1.00 0.00 N ATOM 924 CA TYR A 67 12.019 -3.333 -1.213 1.00 0.00 C ATOM 925 C TYR A 67 13.406 -3.510 -0.593 1.00 0.00 C ATOM 926 O TYR A 67 14.372 -2.914 -1.025 1.00 0.00 O ATOM 927 CB TYR A 67 12.099 -2.329 -2.365 1.00 0.00 C ATOM 928 CG TYR A 67 12.496 -3.049 -3.631 1.00 0.00 C ATOM 929 CD1 TYR A 67 11.717 -4.111 -4.104 1.00 0.00 C ATOM 930 CD2 TYR A 67 13.645 -2.657 -4.330 1.00 0.00 C ATOM 931 CE1 TYR A 67 12.084 -4.779 -5.278 1.00 0.00 C ATOM 932 CE2 TYR A 67 14.011 -3.326 -5.503 1.00 0.00 C ATOM 933 CZ TYR A 67 13.231 -4.388 -5.978 1.00 0.00 C ATOM 934 OH TYR A 67 13.593 -5.047 -7.135 1.00 0.00 O ATOM 0 H TYR A 67 10.842 -1.836 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 67 11.665 -4.292 -1.591 1.00 0.00 H new ATOM 0 HB2 TYR A 67 11.136 -1.837 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.826 -1.550 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.833 -4.415 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 67 14.248 -1.839 -3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.481 -5.597 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.896 -3.023 -6.043 1.00 0.00 H new ATOM 0 HH TYR A 67 14.413 -4.649 -7.495 1.00 0.00 H new ATOM 944 N HIS A 68 13.511 -4.328 0.419 1.00 0.00 N ATOM 945 CA HIS A 68 14.833 -4.545 1.068 1.00 0.00 C ATOM 946 C HIS A 68 15.583 -5.659 0.337 1.00 0.00 C ATOM 947 O HIS A 68 15.201 -5.970 -0.779 1.00 0.00 O ATOM 948 CB HIS A 68 14.620 -4.945 2.530 1.00 0.00 C ATOM 949 CG HIS A 68 13.803 -6.206 2.592 1.00 0.00 C ATOM 950 ND1 HIS A 68 14.285 -7.422 2.134 1.00 0.00 N ATOM 951 CD2 HIS A 68 12.536 -6.456 3.058 1.00 0.00 C ATOM 952 CE1 HIS A 68 13.322 -8.341 2.332 1.00 0.00 C ATOM 953 NE2 HIS A 68 12.234 -7.805 2.893 1.00 0.00 N ATOM 954 OXT HIS A 68 16.529 -6.182 0.905 1.00 0.00 O ATOM 0 H HIS A 68 12.737 -4.855 0.824 1.00 0.00 H new ATOM 0 HA HIS A 68 15.417 -3.626 1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.582 -5.098 3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.112 -4.144 3.067 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.203 -7.590 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.874 -5.718 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.417 -9.384 2.070 1.00 0.00 H new TER 962 HIS A 68