USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0966 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 146:sc= 0.423 (180deg=0.0601) USER MOD Single : A 19 MET CE :methyl -123:sc= -0.0107 (180deg=-0.297) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 52 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.00082) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= 0.781 (180deg=0.14) USER MOD Single : A 75 SER OG : rot 180:sc= 0.087 USER MOD Single : A 76 ASN : amide:sc= 0.479 K(o=0.48,f=-4.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.167 K(o=0.17,f=-3.1!) USER MOD Single : A 90 ASN : amide:sc= 0.584 K(o=0.58,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.174 -6.148 -9.839 1.00 0.00 N ATOM 82 CA TYR A 9 -3.930 -5.436 -9.591 1.00 0.00 C ATOM 83 C TYR A 9 -2.890 -5.888 -10.620 1.00 0.00 C ATOM 84 O TYR A 9 -2.771 -7.090 -10.861 1.00 0.00 O ATOM 85 CB TYR A 9 -3.452 -5.742 -8.164 1.00 0.00 C ATOM 86 CG TYR A 9 -4.435 -5.428 -7.052 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.637 -4.091 -6.659 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.136 -6.461 -6.398 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.528 -3.788 -5.615 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.023 -6.163 -5.346 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.210 -4.823 -4.946 1.00 0.00 C ATOM 92 OH TYR A 9 -7.018 -4.511 -3.904 1.00 0.00 O ATOM 0 HA TYR A 9 -4.078 -4.360 -9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.195 -6.800 -8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.535 -5.181 -7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.106 -3.296 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.992 -7.486 -6.705 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.690 -2.760 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.558 -6.957 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.420 -5.330 -3.545 1.00 0.00 H new ATOM 102 N LYS A 10 -2.134 -4.968 -11.227 1.00 0.00 N ATOM 103 CA LYS A 10 -1.068 -5.319 -12.170 1.00 0.00 C ATOM 104 C LYS A 10 0.229 -4.619 -11.786 1.00 0.00 C ATOM 105 O LYS A 10 0.218 -3.622 -11.065 1.00 0.00 O ATOM 106 CB LYS A 10 -1.501 -5.011 -13.614 1.00 0.00 C ATOM 107 CG LYS A 10 -2.727 -5.851 -14.010 1.00 0.00 C ATOM 108 CD LYS A 10 -2.985 -5.853 -15.522 1.00 0.00 C ATOM 109 CE LYS A 10 -4.165 -6.772 -15.861 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.464 -6.790 -17.309 1.00 0.00 N ATOM 0 H LYS A 10 -2.243 -3.965 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.881 -6.392 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.735 -3.951 -13.709 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.677 -5.218 -14.297 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.584 -6.877 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.607 -5.464 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.196 -4.839 -15.863 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.092 -6.188 -16.049 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.942 -7.785 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.048 -6.442 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.268 -7.424 -17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.703 -5.829 -17.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.631 -7.130 -17.831 1.00 0.00 H new ATOM 124 N ALA A 11 1.351 -5.166 -12.259 1.00 0.00 N ATOM 125 CA ALA A 11 2.695 -4.721 -11.922 1.00 0.00 C ATOM 126 C ALA A 11 2.841 -3.239 -12.237 1.00 0.00 C ATOM 127 O ALA A 11 2.734 -2.860 -13.407 1.00 0.00 O ATOM 128 CB ALA A 11 3.726 -5.534 -12.700 1.00 0.00 C ATOM 0 H ALA A 11 1.344 -5.954 -12.906 1.00 0.00 H new ATOM 0 HA ALA A 11 2.866 -4.873 -10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.729 -5.194 -12.441 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.624 -6.589 -12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.563 -5.401 -13.769 1.00 0.00 H new ATOM 134 N GLY A 12 3.086 -2.415 -11.225 1.00 0.00 N ATOM 135 CA GLY A 12 3.025 -0.968 -11.333 1.00 0.00 C ATOM 136 C GLY A 12 2.138 -0.383 -10.244 1.00 0.00 C ATOM 137 O GLY A 12 2.462 0.677 -9.710 1.00 0.00 O ATOM 0 H GLY A 12 3.337 -2.742 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.029 -0.550 -11.255 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.639 -0.688 -12.313 1.00 0.00 H new ATOM 141 N ASP A 13 1.040 -1.071 -9.918 1.00 0.00 N ATOM 142 CA ASP A 13 0.041 -0.588 -8.976 1.00 0.00 C ATOM 143 C ASP A 13 0.597 -0.581 -7.552 1.00 0.00 C ATOM 144 O ASP A 13 1.558 -1.279 -7.206 1.00 0.00 O ATOM 145 CB ASP A 13 -1.249 -1.431 -9.042 1.00 0.00 C ATOM 146 CG ASP A 13 -2.135 -1.124 -10.247 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.203 0.061 -10.666 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.818 -2.046 -10.747 1.00 0.00 O ATOM 0 H ASP A 13 0.823 -1.988 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.209 0.435 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.979 -2.487 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.824 -1.267 -8.131 1.00 0.00 H new ATOM 153 N LEU A 14 -0.069 0.201 -6.702 1.00 0.00 N ATOM 154 CA LEU A 14 0.249 0.387 -5.295 1.00 0.00 C ATOM 155 C LEU A 14 -0.934 -0.108 -4.481 1.00 0.00 C ATOM 156 O LEU A 14 -2.084 0.081 -4.901 1.00 0.00 O ATOM 157 CB LEU A 14 0.508 1.877 -5.020 1.00 0.00 C ATOM 158 CG LEU A 14 1.747 2.435 -5.733 1.00 0.00 C ATOM 159 CD1 LEU A 14 2.000 3.880 -5.307 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.981 1.586 -5.438 1.00 0.00 C ATOM 0 H LEU A 14 -0.881 0.745 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 14 1.145 -0.170 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.366 2.451 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.622 2.024 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 14 1.556 2.405 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.882 4.262 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.136 4.492 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.163 3.919 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.843 2.005 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.170 1.580 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.811 0.566 -5.782 1.00 0.00 H new ATOM 172 N VAL A 15 -0.668 -0.723 -3.325 1.00 0.00 N ATOM 173 CA VAL A 15 -1.685 -1.367 -2.502 1.00 0.00 C ATOM 174 C VAL A 15 -1.349 -1.265 -1.017 1.00 0.00 C ATOM 175 O VAL A 15 -0.230 -0.925 -0.632 1.00 0.00 O ATOM 176 CB VAL A 15 -1.854 -2.838 -2.944 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.429 -2.869 -4.359 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.561 -3.671 -2.899 1.00 0.00 C ATOM 0 H VAL A 15 0.272 -0.786 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.632 -0.847 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.530 -3.298 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.552 -3.904 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.397 -2.369 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.749 -2.357 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.773 -4.689 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.182 -3.225 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.175 -3.689 -1.880 1.00 0.00 H new ATOM 188 N PHE A 16 -2.313 -1.593 -0.162 1.00 0.00 N ATOM 189 CA PHE A 16 -2.031 -1.987 1.209 1.00 0.00 C ATOM 190 C PHE A 16 -2.182 -3.502 1.260 1.00 0.00 C ATOM 191 O PHE A 16 -3.205 -4.028 0.807 1.00 0.00 O ATOM 192 CB PHE A 16 -2.964 -1.287 2.197 1.00 0.00 C ATOM 193 CG PHE A 16 -2.846 0.224 2.188 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.646 0.997 1.321 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.893 0.861 3.007 1.00 0.00 C ATOM 196 CE1 PHE A 16 -3.504 2.396 1.286 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.744 2.259 2.958 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.561 3.027 2.112 1.00 0.00 C ATOM 0 H PHE A 16 -3.305 -1.593 -0.401 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.024 -1.691 1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.993 -1.563 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.753 -1.652 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.370 0.513 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.276 0.276 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.121 2.985 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.999 2.743 3.573 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.464 4.102 2.097 1.00 0.00 H new ATOM 208 N ALA A 17 -1.166 -4.186 1.785 1.00 0.00 N ATOM 209 CA ALA A 17 -1.232 -5.601 2.111 1.00 0.00 C ATOM 210 C ALA A 17 -1.647 -5.740 3.578 1.00 0.00 C ATOM 211 O ALA A 17 -1.540 -4.789 4.353 1.00 0.00 O ATOM 212 CB ALA A 17 0.144 -6.233 1.866 1.00 0.00 C ATOM 0 H ALA A 17 -0.263 -3.762 1.997 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.963 -6.113 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.105 -7.295 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.420 -6.109 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.886 -5.744 2.497 1.00 0.00 H new ATOM 218 N LYS A 18 -2.053 -6.936 4.009 1.00 0.00 N ATOM 219 CA LYS A 18 -2.326 -7.225 5.416 1.00 0.00 C ATOM 220 C LYS A 18 -1.878 -8.657 5.676 1.00 0.00 C ATOM 221 O LYS A 18 -2.543 -9.597 5.236 1.00 0.00 O ATOM 222 CB LYS A 18 -3.830 -7.019 5.672 1.00 0.00 C ATOM 223 CG LYS A 18 -4.248 -7.108 7.149 1.00 0.00 C ATOM 224 CD LYS A 18 -3.994 -5.800 7.913 1.00 0.00 C ATOM 225 CE LYS A 18 -5.118 -5.494 8.916 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.909 -6.086 10.249 1.00 0.00 N ATOM 0 H LYS A 18 -2.202 -7.733 3.390 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.787 -6.564 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.120 -6.042 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.387 -7.765 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.307 -7.360 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.700 -7.918 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.044 -5.868 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.906 -4.977 7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.213 -4.413 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.062 -5.860 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.296 -5.451 10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.392 -7.006 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.891 -6.220 10.413 1.00 0.00 H new ATOM 240 N MET A 19 -0.757 -8.839 6.376 1.00 0.00 N ATOM 241 CA MET A 19 -0.384 -10.144 6.931 1.00 0.00 C ATOM 242 C MET A 19 -1.204 -10.383 8.200 1.00 0.00 C ATOM 243 O MET A 19 -1.734 -9.428 8.778 1.00 0.00 O ATOM 244 CB MET A 19 1.130 -10.215 7.195 1.00 0.00 C ATOM 245 CG MET A 19 1.910 -10.555 5.923 1.00 0.00 C ATOM 246 SD MET A 19 3.672 -10.925 6.174 1.00 0.00 S ATOM 247 CE MET A 19 4.285 -9.301 6.677 1.00 0.00 C ATOM 0 H MET A 19 -0.087 -8.095 6.574 1.00 0.00 H new ATOM 0 HA MET A 19 -0.607 -10.935 6.215 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.476 -9.260 7.590 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.332 -10.967 7.958 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.439 -11.414 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.826 -9.719 5.229 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.083 -8.989 6.003 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.472 -8.577 6.636 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.671 -9.357 7.695 1.00 0.00 H new ATOM 257 N LYS A 20 -1.308 -11.634 8.660 1.00 0.00 N ATOM 258 CA LYS A 20 -1.932 -11.929 9.949 1.00 0.00 C ATOM 259 C LYS A 20 -1.090 -11.258 11.035 1.00 0.00 C ATOM 260 O LYS A 20 0.137 -11.237 10.921 1.00 0.00 O ATOM 261 CB LYS A 20 -2.097 -13.448 10.161 1.00 0.00 C ATOM 262 CG LYS A 20 -2.919 -14.099 9.032 1.00 0.00 C ATOM 263 CD LYS A 20 -3.459 -15.507 9.330 1.00 0.00 C ATOM 264 CE LYS A 20 -2.378 -16.573 9.551 1.00 0.00 C ATOM 265 NZ LYS A 20 -2.941 -17.944 9.524 1.00 0.00 N ATOM 0 H LYS A 20 -0.968 -12.455 8.159 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.945 -11.528 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.114 -13.917 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.586 -13.630 11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.762 -13.448 8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.298 -14.149 8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.090 -15.459 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.096 -15.820 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.613 -16.479 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.888 -16.400 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.179 -18.635 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.653 -18.042 10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.386 -18.118 8.600 1.00 0.00 H new ATOM 279 N GLY A 21 -1.732 -10.664 12.040 1.00 0.00 N ATOM 280 CA GLY A 21 -1.094 -9.901 13.109 1.00 0.00 C ATOM 281 C GLY A 21 -0.690 -8.482 12.699 1.00 0.00 C ATOM 282 O GLY A 21 -0.900 -7.542 13.469 1.00 0.00 O ATOM 0 H GLY A 21 -2.747 -10.703 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.775 -9.844 13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.208 -10.438 13.447 1.00 0.00 H new ATOM 286 N TYR A 22 -0.091 -8.304 11.522 1.00 0.00 N ATOM 287 CA TYR A 22 0.427 -7.018 11.054 1.00 0.00 C ATOM 288 C TYR A 22 -0.697 -6.008 10.750 1.00 0.00 C ATOM 289 O TYR A 22 -1.858 -6.385 10.563 1.00 0.00 O ATOM 290 CB TYR A 22 1.308 -7.273 9.820 1.00 0.00 C ATOM 291 CG TYR A 22 2.683 -7.828 10.160 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.738 -6.943 10.459 1.00 0.00 C ATOM 293 CD2 TYR A 22 2.919 -9.218 10.189 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.011 -7.435 10.794 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.188 -9.721 10.532 1.00 0.00 C ATOM 296 CZ TYR A 22 5.241 -8.828 10.840 1.00 0.00 C ATOM 297 OH TYR A 22 6.476 -9.280 11.185 1.00 0.00 O ATOM 0 H TYR A 22 0.051 -9.063 10.855 1.00 0.00 H new ATOM 0 HA TYR A 22 1.022 -6.564 11.847 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.797 -7.971 9.157 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.428 -6.340 9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.567 -5.877 10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.119 -9.902 9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.814 -6.748 11.016 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.358 -10.787 10.560 1.00 0.00 H new ATOM 0 HH TYR A 22 6.481 -10.260 11.174 1.00 0.00 H new ATOM 307 N PRO A 23 -0.365 -4.705 10.716 1.00 0.00 N ATOM 308 CA PRO A 23 -1.235 -3.631 10.242 1.00 0.00 C ATOM 309 C PRO A 23 -1.320 -3.611 8.702 1.00 0.00 C ATOM 310 O PRO A 23 -0.694 -4.435 8.036 1.00 0.00 O ATOM 311 CB PRO A 23 -0.622 -2.354 10.833 1.00 0.00 C ATOM 312 CG PRO A 23 0.866 -2.684 10.963 1.00 0.00 C ATOM 313 CD PRO A 23 0.911 -4.181 11.170 1.00 0.00 C ATOM 0 HA PRO A 23 -2.270 -3.752 10.560 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.785 -1.495 10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.063 -2.110 11.800 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.416 -2.391 10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.317 -2.155 11.802 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.733 -4.625 10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.076 -4.421 12.220 1.00 0.00 H new ATOM 321 N HIS A 24 -2.114 -2.690 8.134 1.00 0.00 N ATOM 322 CA HIS A 24 -2.270 -2.506 6.686 1.00 0.00 C ATOM 323 C HIS A 24 -0.983 -1.892 6.112 1.00 0.00 C ATOM 324 O HIS A 24 -0.818 -0.669 6.122 1.00 0.00 O ATOM 325 CB HIS A 24 -3.500 -1.626 6.373 1.00 0.00 C ATOM 326 CG HIS A 24 -4.790 -2.113 6.987 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.304 -1.723 8.207 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.667 -3.007 6.431 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.451 -2.394 8.396 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.706 -3.193 7.349 1.00 0.00 N ATOM 0 H HIS A 24 -2.677 -2.039 8.682 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.439 -3.474 6.215 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.305 -0.613 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.625 -1.570 5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.574 -3.480 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.081 -2.303 9.269 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.505 -3.817 7.243 1.00 0.00 H new ATOM 338 N TRP A 25 -0.036 -2.734 5.705 1.00 0.00 N ATOM 339 CA TRP A 25 1.319 -2.335 5.349 1.00 0.00 C ATOM 340 C TRP A 25 1.348 -1.777 3.917 1.00 0.00 C ATOM 341 O TRP A 25 0.727 -2.379 3.037 1.00 0.00 O ATOM 342 CB TRP A 25 2.254 -3.545 5.511 1.00 0.00 C ATOM 343 CG TRP A 25 3.688 -3.205 5.798 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.607 -2.808 4.889 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.384 -3.216 7.083 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.811 -2.561 5.516 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.721 -2.770 6.876 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.022 -3.569 8.403 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.631 -2.640 7.933 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.937 -3.459 9.470 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.241 -2.992 9.233 1.00 0.00 C ATOM 0 H TRP A 25 -0.196 -3.737 5.612 1.00 0.00 H new ATOM 0 HA TRP A 25 1.664 -1.541 6.011 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.876 -4.171 6.319 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.213 -4.141 4.600 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.426 -2.700 3.830 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.659 -2.262 5.035 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.023 -3.931 8.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.629 -2.270 7.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.636 -3.734 10.470 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.941 -2.904 10.050 1.00 0.00 H new ATOM 362 N PRO A 26 2.048 -0.660 3.648 1.00 0.00 N ATOM 363 CA PRO A 26 2.218 -0.137 2.295 1.00 0.00 C ATOM 364 C PRO A 26 3.061 -1.098 1.450 1.00 0.00 C ATOM 365 O PRO A 26 4.178 -1.452 1.833 1.00 0.00 O ATOM 366 CB PRO A 26 2.887 1.229 2.467 1.00 0.00 C ATOM 367 CG PRO A 26 3.616 1.125 3.802 1.00 0.00 C ATOM 368 CD PRO A 26 2.711 0.206 4.615 1.00 0.00 C ATOM 0 HA PRO A 26 1.271 -0.036 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.579 1.439 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.152 2.034 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.616 0.707 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.732 2.100 4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.289 -0.378 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.983 0.781 5.187 1.00 0.00 H new ATOM 376 N ALA A 27 2.541 -1.538 0.304 1.00 0.00 N ATOM 377 CA ALA A 27 3.224 -2.485 -0.567 1.00 0.00 C ATOM 378 C ALA A 27 2.925 -2.167 -2.035 1.00 0.00 C ATOM 379 O ALA A 27 2.004 -1.405 -2.348 1.00 0.00 O ATOM 380 CB ALA A 27 2.785 -3.905 -0.184 1.00 0.00 C ATOM 0 H ALA A 27 1.629 -1.244 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 27 4.304 -2.408 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.288 -4.627 -0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.049 -4.100 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.706 -3.998 -0.308 1.00 0.00 H new ATOM 386 N ARG A 28 3.681 -2.761 -2.957 1.00 0.00 N ATOM 387 CA ARG A 28 3.494 -2.549 -4.391 1.00 0.00 C ATOM 388 C ARG A 28 3.322 -3.884 -5.092 1.00 0.00 C ATOM 389 O ARG A 28 3.755 -4.911 -4.561 1.00 0.00 O ATOM 390 CB ARG A 28 4.655 -1.704 -4.943 1.00 0.00 C ATOM 391 CG ARG A 28 5.936 -2.475 -5.301 1.00 0.00 C ATOM 392 CD ARG A 28 6.941 -1.640 -6.105 1.00 0.00 C ATOM 393 NE ARG A 28 6.465 -1.343 -7.471 1.00 0.00 N ATOM 394 CZ ARG A 28 5.831 -0.236 -7.882 1.00 0.00 C ATOM 395 NH1 ARG A 28 5.623 0.776 -7.057 1.00 0.00 N ATOM 396 NH2 ARG A 28 5.391 -0.106 -9.122 1.00 0.00 N ATOM 0 H ARG A 28 4.441 -3.403 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 28 2.581 -1.985 -4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.307 -1.182 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.907 -0.942 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.413 -2.820 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.669 -3.362 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.134 -0.705 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.889 -2.175 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 28 6.637 -2.058 -8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.947 0.722 -6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.139 1.611 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.531 -0.860 -9.794 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.912 0.748 -9.406 1.00 0.00 H new ATOM 410 N ILE A 29 2.738 -3.851 -6.287 1.00 0.00 N ATOM 411 CA ILE A 29 2.742 -4.984 -7.193 1.00 0.00 C ATOM 412 C ILE A 29 4.049 -4.853 -7.971 1.00 0.00 C ATOM 413 O ILE A 29 4.200 -3.916 -8.765 1.00 0.00 O ATOM 414 CB ILE A 29 1.505 -4.974 -8.122 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.182 -4.573 -7.441 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.336 -6.349 -8.798 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.266 -5.460 -6.273 1.00 0.00 C ATOM 0 H ILE A 29 2.249 -3.033 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 29 2.683 -5.935 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 29 1.710 -4.196 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.278 -3.550 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.606 -4.572 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.462 -6.329 -9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.224 -6.576 -9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.203 -7.116 -8.035 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.207 -5.085 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.404 -6.482 -6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.494 -5.444 -5.492 1.00 0.00 H new ATOM 429 N ASP A 30 5.001 -5.740 -7.696 1.00 0.00 N ATOM 430 CA ASP A 30 6.175 -5.912 -8.545 1.00 0.00 C ATOM 431 C ASP A 30 5.741 -6.633 -9.832 1.00 0.00 C ATOM 432 O ASP A 30 4.586 -7.048 -9.991 1.00 0.00 O ATOM 433 CB ASP A 30 7.256 -6.686 -7.764 1.00 0.00 C ATOM 434 CG ASP A 30 8.626 -6.770 -8.456 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.938 -5.943 -9.346 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.411 -7.674 -8.089 1.00 0.00 O ATOM 0 H ASP A 30 4.981 -6.356 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 30 6.609 -4.953 -8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.387 -6.214 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.896 -7.698 -7.582 1.00 0.00 H new ATOM 441 N GLU A 31 6.655 -6.790 -10.778 1.00 0.00 N ATOM 442 CA GLU A 31 6.523 -7.714 -11.891 1.00 0.00 C ATOM 443 C GLU A 31 7.370 -8.947 -11.578 1.00 0.00 C ATOM 444 O GLU A 31 7.750 -9.175 -10.430 1.00 0.00 O ATOM 445 CB GLU A 31 6.927 -6.999 -13.184 1.00 0.00 C ATOM 446 CG GLU A 31 6.177 -7.553 -14.399 1.00 0.00 C ATOM 447 CD GLU A 31 6.553 -6.813 -15.670 1.00 0.00 C ATOM 448 OE1 GLU A 31 7.612 -7.171 -16.244 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.761 -5.943 -16.095 1.00 0.00 O ATOM 0 H GLU A 31 7.529 -6.265 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 31 5.496 -8.049 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.725 -5.932 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.000 -7.107 -13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.402 -8.613 -14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.103 -7.471 -14.233 1.00 0.00 H new ATOM 597 N ASN A 42 -3.544 -17.163 -9.157 1.00 0.00 N ATOM 598 CA ASN A 42 -4.343 -16.040 -8.647 1.00 0.00 C ATOM 599 C ASN A 42 -3.635 -15.217 -7.560 1.00 0.00 C ATOM 600 O ASN A 42 -4.293 -14.438 -6.866 1.00 0.00 O ATOM 601 CB ASN A 42 -5.740 -16.499 -8.181 1.00 0.00 C ATOM 602 CG ASN A 42 -6.686 -16.886 -9.305 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.317 -16.994 -10.468 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.939 -17.145 -8.981 1.00 0.00 N ATOM 0 HA ASN A 42 -4.470 -15.367 -9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.623 -17.352 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.196 -15.698 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.602 -17.436 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.244 -17.055 -8.012 1.00 0.00 H new ATOM 611 N LYS A 43 -2.311 -15.345 -7.408 1.00 0.00 N ATOM 612 CA LYS A 43 -1.537 -14.476 -6.521 1.00 0.00 C ATOM 613 C LYS A 43 -0.573 -13.612 -7.337 1.00 0.00 C ATOM 614 O LYS A 43 -0.241 -13.979 -8.465 1.00 0.00 O ATOM 615 CB LYS A 43 -0.841 -15.308 -5.431 1.00 0.00 C ATOM 616 CG LYS A 43 -1.841 -16.033 -4.504 1.00 0.00 C ATOM 617 CD LYS A 43 -1.222 -16.352 -3.132 1.00 0.00 C ATOM 618 CE LYS A 43 -2.239 -17.001 -2.182 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.835 -16.902 -0.759 1.00 0.00 N ATOM 0 H LYS A 43 -1.753 -16.048 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.205 -13.788 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.190 -16.044 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.205 -14.656 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.726 -15.412 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.171 -16.958 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.371 -17.020 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.840 -15.435 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.210 -16.523 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.361 -18.051 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.555 -17.355 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.922 -17.381 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.744 -15.901 -0.493 1.00 0.00 H new ATOM 633 N TYR A 44 -0.111 -12.498 -6.766 1.00 0.00 N ATOM 634 CA TYR A 44 0.774 -11.512 -7.384 1.00 0.00 C ATOM 635 C TYR A 44 2.034 -11.373 -6.509 1.00 0.00 C ATOM 636 O TYR A 44 1.951 -11.666 -5.314 1.00 0.00 O ATOM 637 CB TYR A 44 0.073 -10.145 -7.526 1.00 0.00 C ATOM 638 CG TYR A 44 -1.364 -10.149 -8.015 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.630 -10.049 -9.392 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.439 -10.197 -7.103 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.956 -9.989 -9.860 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.764 -10.153 -7.568 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.033 -10.031 -8.948 1.00 0.00 C ATOM 644 OH TYR A 44 -5.324 -9.958 -9.375 1.00 0.00 O ATOM 0 H TYR A 44 -0.358 -12.247 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 44 1.043 -11.848 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.098 -9.650 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.661 -9.534 -8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.811 -10.018 -10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.243 -10.268 -6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.150 -9.911 -10.920 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.582 -10.213 -6.865 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.927 -10.004 -8.604 1.00 0.00 H new ATOM 654 N PRO A 45 3.193 -10.988 -7.069 1.00 0.00 N ATOM 655 CA PRO A 45 4.400 -10.693 -6.305 1.00 0.00 C ATOM 656 C PRO A 45 4.254 -9.350 -5.563 1.00 0.00 C ATOM 657 O PRO A 45 4.293 -8.284 -6.183 1.00 0.00 O ATOM 658 CB PRO A 45 5.536 -10.673 -7.336 1.00 0.00 C ATOM 659 CG PRO A 45 4.834 -10.206 -8.610 1.00 0.00 C ATOM 660 CD PRO A 45 3.434 -10.807 -8.493 1.00 0.00 C ATOM 0 HA PRO A 45 4.597 -11.433 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.335 -9.992 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.986 -11.658 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.799 -9.118 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.348 -10.560 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.688 -10.146 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.372 -11.757 -9.023 1.00 0.00 H new ATOM 668 N ILE A 46 4.044 -9.395 -4.247 1.00 0.00 N ATOM 669 CA ILE A 46 3.975 -8.202 -3.409 1.00 0.00 C ATOM 670 C ILE A 46 5.355 -7.902 -2.835 1.00 0.00 C ATOM 671 O ILE A 46 5.927 -8.749 -2.149 1.00 0.00 O ATOM 672 CB ILE A 46 2.899 -8.385 -2.317 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.532 -8.677 -2.953 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.746 -7.165 -1.397 1.00 0.00 C ATOM 675 CD1 ILE A 46 1.032 -7.606 -3.941 1.00 0.00 C ATOM 0 H ILE A 46 3.917 -10.266 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 46 3.677 -7.339 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 46 3.239 -9.224 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.587 -9.633 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.795 -8.789 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.973 -7.364 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.692 -6.969 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.464 -6.295 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.060 -7.901 -4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.938 -6.650 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.743 -7.507 -4.761 1.00 0.00 H new ATOM 687 N PHE A 47 5.854 -6.691 -3.093 1.00 0.00 N ATOM 688 CA PHE A 47 7.057 -6.122 -2.496 1.00 0.00 C ATOM 689 C PHE A 47 6.601 -5.144 -1.410 1.00 0.00 C ATOM 690 O PHE A 47 5.890 -4.177 -1.710 1.00 0.00 O ATOM 691 CB PHE A 47 7.882 -5.440 -3.597 1.00 0.00 C ATOM 692 CG PHE A 47 9.148 -4.730 -3.142 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.307 -5.491 -2.893 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.207 -3.321 -3.033 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.515 -4.862 -2.553 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.419 -2.693 -2.691 1.00 0.00 C ATOM 697 CZ PHE A 47 11.574 -3.462 -2.459 1.00 0.00 C ATOM 0 H PHE A 47 5.408 -6.055 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 47 7.696 -6.879 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.157 -6.193 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.245 -4.715 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.266 -6.568 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.323 -2.728 -3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.398 -5.454 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.463 -1.617 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.505 -2.976 -2.209 1.00 0.00 H new ATOM 707 N PHE A 48 6.932 -5.432 -0.150 1.00 0.00 N ATOM 708 CA PHE A 48 6.568 -4.608 0.998 1.00 0.00 C ATOM 709 C PHE A 48 7.554 -3.441 1.073 1.00 0.00 C ATOM 710 O PHE A 48 8.752 -3.662 1.260 1.00 0.00 O ATOM 711 CB PHE A 48 6.594 -5.442 2.288 1.00 0.00 C ATOM 712 CG PHE A 48 5.516 -6.510 2.390 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.627 -7.703 1.652 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.404 -6.321 3.235 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.632 -8.687 1.747 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.415 -7.316 3.342 1.00 0.00 C ATOM 717 CZ PHE A 48 3.527 -8.501 2.594 1.00 0.00 C ATOM 0 H PHE A 48 7.471 -6.260 0.103 1.00 0.00 H new ATOM 0 HA PHE A 48 5.554 -4.224 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.569 -5.923 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.497 -4.768 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.481 -7.861 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.311 -5.407 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.716 -9.593 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.570 -7.169 3.999 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.767 -9.265 2.670 1.00 0.00 H new ATOM 727 N PHE A 49 7.076 -2.206 0.902 1.00 0.00 N ATOM 728 CA PHE A 49 7.957 -1.042 0.878 1.00 0.00 C ATOM 729 C PHE A 49 8.614 -0.831 2.245 1.00 0.00 C ATOM 730 O PHE A 49 8.031 -1.136 3.296 1.00 0.00 O ATOM 731 CB PHE A 49 7.186 0.205 0.425 1.00 0.00 C ATOM 732 CG PHE A 49 7.220 0.449 -1.071 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.458 0.624 -1.715 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.034 0.609 -1.808 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.522 0.997 -3.062 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.093 0.994 -3.154 1.00 0.00 C ATOM 737 CZ PHE A 49 7.332 1.157 -3.788 1.00 0.00 C ATOM 0 H PHE A 49 6.087 -1.989 0.779 1.00 0.00 H new ATOM 0 HA PHE A 49 8.753 -1.222 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.148 0.111 0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.597 1.077 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.372 0.468 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.078 0.435 -1.337 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.478 1.160 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.180 1.166 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.371 1.406 -4.838 1.00 0.00 H new ATOM 747 N GLY A 50 9.832 -0.288 2.238 1.00 0.00 N ATOM 748 CA GLY A 50 10.672 -0.012 3.394 1.00 0.00 C ATOM 749 C GLY A 50 11.217 -1.268 4.085 1.00 0.00 C ATOM 750 O GLY A 50 12.335 -1.231 4.588 1.00 0.00 O ATOM 0 H GLY A 50 10.283 -0.013 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.510 0.610 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.098 0.567 4.117 1.00 0.00 H new ATOM 754 N THR A 51 10.487 -2.385 4.143 1.00 0.00 N ATOM 755 CA THR A 51 11.014 -3.653 4.645 1.00 0.00 C ATOM 756 C THR A 51 11.730 -4.425 3.533 1.00 0.00 C ATOM 757 O THR A 51 12.685 -5.137 3.838 1.00 0.00 O ATOM 758 CB THR A 51 9.896 -4.480 5.302 1.00 0.00 C ATOM 759 OG1 THR A 51 8.670 -4.355 4.611 1.00 0.00 O ATOM 760 CG2 THR A 51 9.652 -4.012 6.739 1.00 0.00 C ATOM 0 H THR A 51 9.513 -2.434 3.843 1.00 0.00 H new ATOM 0 HA THR A 51 11.757 -3.444 5.415 1.00 0.00 H new ATOM 0 HB THR A 51 10.230 -5.517 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.986 -4.896 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.858 -4.609 7.186 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.566 -4.130 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.358 -2.962 6.735 1.00 0.00 H new ATOM 768 N HIS A 52 11.330 -4.238 2.267 1.00 0.00 N ATOM 769 CA HIS A 52 11.927 -4.805 1.053 1.00 0.00 C ATOM 770 C HIS A 52 11.787 -6.327 0.951 1.00 0.00 C ATOM 771 O HIS A 52 12.449 -6.976 0.134 1.00 0.00 O ATOM 772 CB HIS A 52 13.380 -4.348 0.896 1.00 0.00 C ATOM 773 CG HIS A 52 13.572 -2.880 1.158 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.355 -2.320 2.141 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.916 -1.867 0.522 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.169 -0.991 2.099 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.344 -0.668 1.091 1.00 0.00 N ATOM 0 H HIS A 52 10.527 -3.647 2.052 1.00 0.00 H new ATOM 0 HA HIS A 52 11.353 -4.412 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 52 14.009 -4.918 1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.719 -4.577 -0.114 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.197 -1.974 -0.276 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.619 -0.283 2.779 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.081 0.273 0.798 1.00 0.00 H new ATOM 785 N GLU A 53 10.923 -6.889 1.790 1.00 0.00 N ATOM 786 CA GLU A 53 10.553 -8.285 1.760 1.00 0.00 C ATOM 787 C GLU A 53 9.595 -8.529 0.592 1.00 0.00 C ATOM 788 O GLU A 53 8.913 -7.606 0.132 1.00 0.00 O ATOM 789 CB GLU A 53 9.869 -8.628 3.085 1.00 0.00 C ATOM 790 CG GLU A 53 10.822 -8.545 4.288 1.00 0.00 C ATOM 791 CD GLU A 53 10.082 -8.906 5.572 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.580 -10.049 5.661 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.879 -8.020 6.445 1.00 0.00 O ATOM 0 H GLU A 53 10.452 -6.365 2.527 1.00 0.00 H new ATOM 0 HA GLU A 53 11.434 -8.913 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.032 -7.948 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.455 -9.634 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.664 -9.222 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.233 -7.538 4.367 1.00 0.00 H new ATOM 800 N THR A 54 9.482 -9.787 0.172 1.00 0.00 N ATOM 801 CA THR A 54 8.579 -10.209 -0.890 1.00 0.00 C ATOM 802 C THR A 54 7.633 -11.286 -0.357 1.00 0.00 C ATOM 803 O THR A 54 8.013 -12.054 0.531 1.00 0.00 O ATOM 804 CB THR A 54 9.394 -10.686 -2.105 1.00 0.00 C ATOM 805 OG1 THR A 54 10.392 -11.625 -1.738 1.00 0.00 O ATOM 806 CG2 THR A 54 10.099 -9.522 -2.806 1.00 0.00 C ATOM 0 H THR A 54 10.026 -10.553 0.569 1.00 0.00 H new ATOM 0 HA THR A 54 7.965 -9.372 -1.223 1.00 0.00 H new ATOM 0 HB THR A 54 8.672 -11.151 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.887 -11.905 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.664 -9.899 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.357 -8.802 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.779 -9.034 -2.107 1.00 0.00 H new ATOM 814 N ALA A 55 6.410 -11.369 -0.882 1.00 0.00 N ATOM 815 CA ALA A 55 5.510 -12.500 -0.669 1.00 0.00 C ATOM 816 C ALA A 55 4.602 -12.658 -1.886 1.00 0.00 C ATOM 817 O ALA A 55 4.632 -11.833 -2.802 1.00 0.00 O ATOM 818 CB ALA A 55 4.656 -12.286 0.588 1.00 0.00 C ATOM 0 H ALA A 55 6.012 -10.641 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 55 6.106 -13.402 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.993 -13.140 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.306 -12.186 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.061 -11.380 0.474 1.00 0.00 H new ATOM 824 N PHE A 56 3.748 -13.681 -1.873 1.00 0.00 N ATOM 825 CA PHE A 56 2.662 -13.823 -2.828 1.00 0.00 C ATOM 826 C PHE A 56 1.351 -13.779 -2.069 1.00 0.00 C ATOM 827 O PHE A 56 1.134 -14.594 -1.168 1.00 0.00 O ATOM 828 CB PHE A 56 2.803 -15.115 -3.634 1.00 0.00 C ATOM 829 CG PHE A 56 3.929 -15.058 -4.638 1.00 0.00 C ATOM 830 CD1 PHE A 56 3.737 -14.438 -5.886 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.190 -15.577 -4.308 1.00 0.00 C ATOM 832 CE1 PHE A 56 4.802 -14.336 -6.796 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.247 -15.480 -5.221 1.00 0.00 C ATOM 834 CZ PHE A 56 6.057 -14.869 -6.470 1.00 0.00 C ATOM 0 H PHE A 56 3.795 -14.438 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 56 2.691 -13.004 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.973 -15.947 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.867 -15.317 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.767 -14.039 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.345 -16.051 -3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.654 -13.847 -7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.217 -15.879 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.872 -14.810 -7.176 1.00 0.00 H new ATOM 844 N LEU A 57 0.466 -12.846 -2.422 1.00 0.00 N ATOM 845 CA LEU A 57 -0.866 -12.764 -1.815 1.00 0.00 C ATOM 846 C LEU A 57 -1.951 -12.877 -2.887 1.00 0.00 C ATOM 847 O LEU A 57 -1.707 -12.601 -4.058 1.00 0.00 O ATOM 848 CB LEU A 57 -0.986 -11.474 -0.986 1.00 0.00 C ATOM 849 CG LEU A 57 -0.056 -11.417 0.245 1.00 0.00 C ATOM 850 CD1 LEU A 57 -0.181 -10.053 0.936 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.374 -12.518 1.265 1.00 0.00 C ATOM 0 H LEU A 57 0.647 -12.133 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.009 -13.603 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.769 -10.622 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.018 -11.366 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 57 0.960 -11.570 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.479 -10.023 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.100 -9.264 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.211 -9.902 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.307 -12.436 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.401 -12.407 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.254 -13.494 0.796 1.00 0.00 H new ATOM 863 N GLY A 58 -3.159 -13.284 -2.520 1.00 0.00 N ATOM 864 CA GLY A 58 -4.326 -13.168 -3.370 1.00 0.00 C ATOM 865 C GLY A 58 -4.908 -11.769 -3.179 1.00 0.00 C ATOM 866 O GLY A 58 -4.649 -11.133 -2.155 1.00 0.00 O ATOM 0 H GLY A 58 -3.353 -13.708 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.056 -13.330 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.064 -13.927 -3.111 1.00 0.00 H new ATOM 870 N PRO A 59 -5.743 -11.286 -4.107 1.00 0.00 N ATOM 871 CA PRO A 59 -6.327 -9.949 -4.032 1.00 0.00 C ATOM 872 C PRO A 59 -7.269 -9.807 -2.832 1.00 0.00 C ATOM 873 O PRO A 59 -7.482 -8.696 -2.361 1.00 0.00 O ATOM 874 CB PRO A 59 -7.050 -9.739 -5.367 1.00 0.00 C ATOM 875 CG PRO A 59 -7.244 -11.143 -5.943 1.00 0.00 C ATOM 876 CD PRO A 59 -6.160 -12.002 -5.293 1.00 0.00 C ATOM 0 HA PRO A 59 -5.563 -9.187 -3.877 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.007 -9.237 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.461 -9.115 -6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.238 -11.527 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.144 -11.140 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.545 -12.989 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.322 -12.153 -5.973 1.00 0.00 H new ATOM 884 N LYS A 60 -7.777 -10.922 -2.293 1.00 0.00 N ATOM 885 CA LYS A 60 -8.562 -10.946 -1.065 1.00 0.00 C ATOM 886 C LYS A 60 -7.777 -10.409 0.142 1.00 0.00 C ATOM 887 O LYS A 60 -8.406 -9.974 1.105 1.00 0.00 O ATOM 888 CB LYS A 60 -9.071 -12.378 -0.794 1.00 0.00 C ATOM 889 CG LYS A 60 -10.350 -12.752 -1.569 1.00 0.00 C ATOM 890 CD LYS A 60 -10.144 -13.404 -2.947 1.00 0.00 C ATOM 891 CE LYS A 60 -11.505 -13.458 -3.658 1.00 0.00 C ATOM 892 NZ LYS A 60 -11.558 -14.380 -4.818 1.00 0.00 N ATOM 0 H LYS A 60 -7.649 -11.845 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.414 -10.281 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.283 -13.086 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.262 -12.488 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.937 -13.433 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.946 -11.849 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.429 -12.830 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.733 -14.407 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.265 -13.758 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.764 -12.455 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.509 -14.355 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.858 -14.085 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.344 -15.348 -4.502 1.00 0.00 H new ATOM 906 N ASP A 61 -6.440 -10.439 0.124 1.00 0.00 N ATOM 907 CA ASP A 61 -5.606 -9.926 1.216 1.00 0.00 C ATOM 908 C ASP A 61 -5.290 -8.435 1.031 1.00 0.00 C ATOM 909 O ASP A 61 -4.714 -7.834 1.944 1.00 0.00 O ATOM 910 CB ASP A 61 -4.262 -10.677 1.294 1.00 0.00 C ATOM 911 CG ASP A 61 -4.348 -12.109 1.818 1.00 0.00 C ATOM 912 OD1 ASP A 61 -4.960 -12.978 1.158 1.00 0.00 O ATOM 913 OD2 ASP A 61 -3.727 -12.426 2.856 1.00 0.00 O ATOM 0 H ASP A 61 -5.903 -10.822 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.178 -10.077 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.817 -10.697 0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.585 -10.112 1.935 1.00 0.00 H new ATOM 918 N LEU A 62 -5.603 -7.848 -0.131 1.00 0.00 N ATOM 919 CA LEU A 62 -5.057 -6.575 -0.609 1.00 0.00 C ATOM 920 C LEU A 62 -6.158 -5.530 -0.742 1.00 0.00 C ATOM 921 O LEU A 62 -7.328 -5.889 -0.883 1.00 0.00 O ATOM 922 CB LEU A 62 -4.442 -6.763 -2.008 1.00 0.00 C ATOM 923 CG LEU A 62 -3.290 -7.767 -2.119 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.689 -7.671 -3.520 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.160 -7.554 -1.111 1.00 0.00 C ATOM 0 H LEU A 62 -6.267 -8.262 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.308 -6.247 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.233 -7.075 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.085 -5.794 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.724 -8.744 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.867 -8.381 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.454 -7.903 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.316 -6.661 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.389 -8.310 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.729 -6.563 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.555 -7.638 -0.099 1.00 0.00 H new ATOM 937 N PHE A 63 -5.771 -4.251 -0.775 1.00 0.00 N ATOM 938 CA PHE A 63 -6.666 -3.133 -1.057 1.00 0.00 C ATOM 939 C PHE A 63 -5.972 -2.091 -1.938 1.00 0.00 C ATOM 940 O PHE A 63 -4.764 -1.884 -1.777 1.00 0.00 O ATOM 941 CB PHE A 63 -7.130 -2.508 0.260 1.00 0.00 C ATOM 942 CG PHE A 63 -8.006 -3.458 1.040 1.00 0.00 C ATOM 943 CD1 PHE A 63 -9.355 -3.614 0.673 1.00 0.00 C ATOM 944 CD2 PHE A 63 -7.442 -4.288 2.027 1.00 0.00 C ATOM 945 CE1 PHE A 63 -10.127 -4.619 1.273 1.00 0.00 C ATOM 946 CE2 PHE A 63 -8.221 -5.278 2.643 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.561 -5.455 2.248 1.00 0.00 C ATOM 0 H PHE A 63 -4.808 -3.962 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.535 -3.501 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.262 -2.234 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.679 -1.589 0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.794 -2.962 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.407 -4.162 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.159 -4.750 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.796 -5.901 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.155 -6.237 2.697 1.00 0.00 H new ATOM 957 N PRO A 64 -6.706 -1.395 -2.828 1.00 0.00 N ATOM 958 CA PRO A 64 -6.142 -0.399 -3.729 1.00 0.00 C ATOM 959 C PRO A 64 -5.641 0.803 -2.947 1.00 0.00 C ATOM 960 O PRO A 64 -6.399 1.438 -2.211 1.00 0.00 O ATOM 961 CB PRO A 64 -7.261 0.013 -4.688 1.00 0.00 C ATOM 962 CG PRO A 64 -8.546 -0.388 -3.971 1.00 0.00 C ATOM 963 CD PRO A 64 -8.140 -1.528 -3.045 1.00 0.00 C ATOM 0 HA PRO A 64 -5.291 -0.806 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.237 1.084 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.167 -0.494 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.962 0.448 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.310 -0.708 -4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.682 -1.472 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.377 -2.494 -3.492 1.00 0.00 H new ATOM 971 N TYR A 65 -4.383 1.169 -3.167 1.00 0.00 N ATOM 972 CA TYR A 65 -3.799 2.359 -2.584 1.00 0.00 C ATOM 973 C TYR A 65 -4.660 3.583 -2.873 1.00 0.00 C ATOM 974 O TYR A 65 -5.048 4.275 -1.943 1.00 0.00 O ATOM 975 CB TYR A 65 -2.390 2.528 -3.134 1.00 0.00 C ATOM 976 CG TYR A 65 -1.700 3.815 -2.728 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.370 4.065 -1.384 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.402 4.780 -3.707 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.704 5.247 -1.017 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.736 5.964 -3.353 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.376 6.199 -2.007 1.00 0.00 C ATOM 982 OH TYR A 65 0.270 7.351 -1.684 1.00 0.00 O ATOM 0 H TYR A 65 -3.741 0.642 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.751 2.254 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.782 1.686 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.432 2.482 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.631 3.341 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.687 4.609 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.445 5.426 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.498 6.696 -4.110 1.00 0.00 H new ATOM 0 HH TYR A 65 0.413 7.884 -2.494 1.00 0.00 H new ATOM 992 N LYS A 66 -5.014 3.833 -4.138 1.00 0.00 N ATOM 993 CA LYS A 66 -5.686 5.066 -4.557 1.00 0.00 C ATOM 994 C LYS A 66 -7.098 5.217 -4.001 1.00 0.00 C ATOM 995 O LYS A 66 -7.744 6.234 -4.249 1.00 0.00 O ATOM 996 CB LYS A 66 -5.712 5.132 -6.091 1.00 0.00 C ATOM 997 CG LYS A 66 -4.368 5.566 -6.699 1.00 0.00 C ATOM 998 CD LYS A 66 -4.134 7.081 -6.585 1.00 0.00 C ATOM 999 CE LYS A 66 -2.688 7.445 -6.945 1.00 0.00 C ATOM 1000 NZ LYS A 66 -2.435 8.892 -6.795 1.00 0.00 N ATOM 0 H LYS A 66 -4.841 3.182 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.112 5.895 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.984 4.153 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.488 5.829 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.558 5.037 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.336 5.274 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.821 7.609 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.353 7.411 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.003 6.888 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.482 7.144 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.448 9.100 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.072 9.423 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.607 9.174 -5.809 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.624 4.204 -3.325 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.807 4.355 -2.491 1.00 0.00 C ATOM 1016 C GLU A 67 -8.408 4.658 -1.041 1.00 0.00 C ATOM 1017 O GLU A 67 -8.691 5.748 -0.545 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.698 3.114 -2.608 1.00 0.00 C ATOM 1019 CG GLU A 67 -11.175 3.486 -2.382 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.774 2.759 -1.178 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -11.520 3.183 -0.026 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.524 1.779 -1.403 1.00 0.00 O ATOM 0 H GLU A 67 -7.243 3.258 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.391 5.206 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.577 2.664 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.389 2.367 -1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.258 4.563 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.750 3.242 -3.275 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.737 3.710 -0.378 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.454 3.686 1.063 1.00 0.00 C ATOM 1031 C TYR A 68 -6.271 4.572 1.469 1.00 0.00 C ATOM 1032 O TYR A 68 -5.821 4.502 2.617 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.227 2.236 1.484 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.468 1.374 1.349 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.815 0.801 0.113 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.313 1.192 2.454 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.010 0.076 -0.043 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.492 0.442 2.322 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.848 -0.127 1.079 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.953 -0.926 1.027 1.00 0.00 O ATOM 0 H TYR A 68 -7.356 2.894 -0.857 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.314 4.106 1.584 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.428 1.809 0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.888 2.214 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.152 0.920 -0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.056 1.630 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.285 -0.322 -1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.133 0.299 3.179 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.392 -0.934 1.903 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.762 5.404 0.554 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.577 6.235 0.697 1.00 0.00 C ATOM 1052 C LYS A 69 -4.632 7.121 1.940 1.00 0.00 C ATOM 1053 O LYS A 69 -3.572 7.503 2.428 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.395 6.995 -0.636 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.486 8.212 -0.558 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.049 8.716 -1.943 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.917 9.752 -1.876 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.328 11.082 -1.380 1.00 0.00 N ATOM 0 H LYS A 69 -6.199 5.517 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.689 5.629 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.993 6.306 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.374 7.313 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.003 9.014 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.602 7.963 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.723 7.868 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.907 9.156 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.127 9.367 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.488 9.867 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.505 11.717 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.059 11.475 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.710 10.991 -0.417 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.805 7.389 2.516 1.00 0.00 N ATOM 1073 CA ASP A 70 -5.903 8.115 3.780 1.00 0.00 C ATOM 1074 C ASP A 70 -6.533 7.293 4.898 1.00 0.00 C ATOM 1075 O ASP A 70 -6.103 7.440 6.040 1.00 0.00 O ATOM 1076 CB ASP A 70 -6.635 9.437 3.564 1.00 0.00 C ATOM 1077 CG ASP A 70 -5.723 10.629 3.781 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.109 10.739 4.865 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -5.640 11.495 2.884 1.00 0.00 O ATOM 0 H ASP A 70 -6.704 7.112 2.123 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.887 8.324 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.038 9.468 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.482 9.499 4.247 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.488 6.393 4.604 1.00 0.00 N ATOM 1085 CA LYS A 71 -8.082 5.539 5.637 1.00 0.00 C ATOM 1086 C LYS A 71 -6.991 4.673 6.253 1.00 0.00 C ATOM 1087 O LYS A 71 -6.872 4.596 7.475 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.229 4.684 5.059 1.00 0.00 C ATOM 1089 CG LYS A 71 -9.920 3.858 6.163 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.040 2.948 5.640 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.407 3.644 5.663 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.462 2.817 5.038 1.00 0.00 N ATOM 0 H LYS A 71 -7.860 6.242 3.666 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.519 6.163 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.960 5.331 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.837 4.015 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.173 3.246 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.334 4.537 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.809 2.638 4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.084 2.043 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.683 3.865 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.337 4.598 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.369 3.325 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.212 2.627 4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.548 1.917 5.552 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.229 3.987 5.401 1.00 0.00 N ATOM 1107 CA PHE A 72 -5.169 3.080 5.805 1.00 0.00 C ATOM 1108 C PHE A 72 -3.840 3.820 5.861 1.00 0.00 C ATOM 1109 O PHE A 72 -3.021 3.484 6.715 1.00 0.00 O ATOM 1110 CB PHE A 72 -5.068 1.909 4.816 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.217 0.913 4.796 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.324 1.004 5.662 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.164 -0.141 3.873 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.317 0.011 5.649 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.143 -1.144 3.875 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.212 -1.084 4.778 1.00 0.00 C ATOM 0 H PHE A 72 -6.339 4.052 4.389 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.403 2.690 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.962 2.323 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.151 1.362 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.410 1.841 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.360 -0.180 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.165 0.091 6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.073 -1.966 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.949 -1.873 4.804 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.599 4.787 4.971 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.343 5.519 4.870 1.00 0.00 C ATOM 1128 C GLY A 73 -2.175 6.480 6.042 1.00 0.00 C ATOM 1129 O GLY A 73 -2.452 7.665 5.876 1.00 0.00 O ATOM 0 H GLY A 73 -4.293 5.086 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.509 4.817 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.316 6.075 3.933 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.747 5.994 7.212 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.474 6.773 8.422 1.00 0.00 C ATOM 1135 C LYS A 74 -0.240 6.174 9.089 1.00 0.00 C ATOM 1136 O LYS A 74 -0.098 4.948 9.132 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.642 6.696 9.423 1.00 0.00 C ATOM 1138 CG LYS A 74 -4.007 7.275 9.008 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.133 8.809 9.032 1.00 0.00 C ATOM 1140 CE LYS A 74 -3.845 9.431 7.665 1.00 0.00 C ATOM 1141 NZ LYS A 74 -4.182 10.865 7.604 1.00 0.00 N ATOM 0 H LYS A 74 -1.573 4.998 7.346 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.329 7.816 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.791 5.647 9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.330 7.204 10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.233 6.929 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.770 6.859 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.138 9.085 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.441 9.218 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.789 9.301 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.412 8.897 6.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.556 11.094 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.900 11.084 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.328 11.430 7.784 1.00 0.00 H new ATOM 1155 N SER A 75 0.604 7.028 9.654 1.00 0.00 N ATOM 1156 CA SER A 75 1.891 6.737 10.270 1.00 0.00 C ATOM 1157 C SER A 75 1.769 5.658 11.360 1.00 0.00 C ATOM 1158 O SER A 75 1.282 5.941 12.458 1.00 0.00 O ATOM 1159 CB SER A 75 2.460 8.061 10.809 1.00 0.00 C ATOM 1160 OG SER A 75 2.169 9.149 9.943 1.00 0.00 O ATOM 0 H SER A 75 0.387 8.024 9.696 1.00 0.00 H new ATOM 0 HA SER A 75 2.578 6.321 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.044 8.261 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.539 7.971 10.930 1.00 0.00 H new ATOM 0 HG SER A 75 2.543 9.974 10.317 1.00 0.00 H new ATOM 1166 N ASN A 76 2.179 4.416 11.080 1.00 0.00 N ATOM 1167 CA ASN A 76 2.037 3.316 12.039 1.00 0.00 C ATOM 1168 C ASN A 76 3.168 3.292 13.063 1.00 0.00 C ATOM 1169 O ASN A 76 4.317 3.586 12.735 1.00 0.00 O ATOM 1170 CB ASN A 76 2.028 1.951 11.344 1.00 0.00 C ATOM 1171 CG ASN A 76 1.400 0.894 12.240 1.00 0.00 C ATOM 1172 OD1 ASN A 76 2.069 0.169 12.978 1.00 0.00 O ATOM 1173 ND2 ASN A 76 0.086 0.813 12.225 1.00 0.00 N ATOM 0 H ASN A 76 2.612 4.148 10.196 1.00 0.00 H new ATOM 0 HA ASN A 76 1.085 3.495 12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.473 2.018 10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.047 1.660 11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.391 0.144 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.455 1.419 11.609 1.00 0.00 H new ATOM 1180 N LYS A 77 2.863 2.795 14.262 1.00 0.00 N ATOM 1181 CA LYS A 77 3.816 2.453 15.311 1.00 0.00 C ATOM 1182 C LYS A 77 5.022 1.665 14.797 1.00 0.00 C ATOM 1183 O LYS A 77 6.147 1.989 15.182 1.00 0.00 O ATOM 1184 CB LYS A 77 3.084 1.670 16.426 1.00 0.00 C ATOM 1185 CG LYS A 77 2.865 2.492 17.706 1.00 0.00 C ATOM 1186 CD LYS A 77 4.032 2.401 18.703 1.00 0.00 C ATOM 1187 CE LYS A 77 5.354 2.920 18.129 1.00 0.00 C ATOM 1188 NZ LYS A 77 6.490 2.856 19.067 1.00 0.00 N ATOM 0 H LYS A 77 1.898 2.612 14.538 1.00 0.00 H new ATOM 0 HA LYS A 77 4.217 3.386 15.708 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.118 1.334 16.049 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.659 0.777 16.670 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.710 3.536 17.435 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.953 2.151 18.195 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.783 2.971 19.598 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.159 1.363 19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.601 2.343 17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.218 3.954 17.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.345 3.225 18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.278 3.429 19.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.650 1.869 19.352 1.00 0.00 H new ATOM 1202 N ARG A 78 4.811 0.597 14.020 1.00 0.00 N ATOM 1203 CA ARG A 78 5.904 -0.317 13.684 1.00 0.00 C ATOM 1204 C ARG A 78 7.033 0.432 12.976 1.00 0.00 C ATOM 1205 O ARG A 78 6.775 1.273 12.113 1.00 0.00 O ATOM 1206 CB ARG A 78 5.381 -1.508 12.852 1.00 0.00 C ATOM 1207 CG ARG A 78 5.240 -2.783 13.701 1.00 0.00 C ATOM 1208 CD ARG A 78 6.613 -3.404 13.995 1.00 0.00 C ATOM 1209 NE ARG A 78 6.535 -4.535 14.933 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.563 -5.336 15.255 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.774 -5.120 14.762 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.402 -6.360 16.076 1.00 0.00 N ATOM 0 H ARG A 78 3.907 0.348 13.618 1.00 0.00 H new ATOM 0 HA ARG A 78 6.318 -0.726 14.606 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.414 -1.252 12.419 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.062 -1.698 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.736 -2.546 14.638 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.615 -3.506 13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.062 -3.742 13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.272 -2.640 14.407 1.00 0.00 H new ATOM 0 HE ARG A 78 5.633 -4.724 15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.935 -4.337 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.545 -5.737 15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.484 -6.553 16.477 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.196 -6.957 16.308 1.00 0.00 H new ATOM 1226 N LYS A 79 8.281 0.101 13.320 1.00 0.00 N ATOM 1227 CA LYS A 79 9.427 0.453 12.492 1.00 0.00 C ATOM 1228 C LYS A 79 9.383 -0.418 11.235 1.00 0.00 C ATOM 1229 O LYS A 79 8.495 -1.260 11.074 1.00 0.00 O ATOM 1230 CB LYS A 79 10.734 0.341 13.307 1.00 0.00 C ATOM 1231 CG LYS A 79 11.456 1.698 13.396 1.00 0.00 C ATOM 1232 CD LYS A 79 12.465 1.919 12.257 1.00 0.00 C ATOM 1233 CE LYS A 79 12.896 3.385 12.234 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.028 3.646 11.319 1.00 0.00 N ATOM 0 H LYS A 79 8.519 -0.411 14.169 1.00 0.00 H new ATOM 0 HA LYS A 79 9.390 1.493 12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.509 -0.020 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.392 -0.394 12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.716 2.498 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.976 1.765 14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.334 1.276 12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.017 1.646 11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.048 4.002 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.175 3.691 13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.272 4.656 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.850 3.082 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.758 3.383 10.350 1.00 0.00 H new ATOM 1248 N GLY A 80 10.263 -0.137 10.281 1.00 0.00 N ATOM 1249 CA GLY A 80 9.912 -0.260 8.884 1.00 0.00 C ATOM 1250 C GLY A 80 8.843 0.793 8.664 1.00 0.00 C ATOM 1251 O GLY A 80 9.185 1.954 8.484 1.00 0.00 O ATOM 0 H GLY A 80 11.218 0.175 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.776 -0.088 8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.538 -1.258 8.656 1.00 0.00 H new ATOM 1255 N PHE A 81 7.583 0.442 8.893 1.00 0.00 N ATOM 1256 CA PHE A 81 6.363 0.969 8.278 1.00 0.00 C ATOM 1257 C PHE A 81 6.409 2.453 7.880 1.00 0.00 C ATOM 1258 O PHE A 81 6.075 2.781 6.747 1.00 0.00 O ATOM 1259 CB PHE A 81 5.205 0.714 9.254 1.00 0.00 C ATOM 1260 CG PHE A 81 3.802 0.840 8.690 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.300 2.080 8.245 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.950 -0.279 8.722 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.962 2.190 7.841 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.612 -0.169 8.320 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.121 1.071 7.895 1.00 0.00 C ATOM 0 H PHE A 81 7.366 -0.284 9.575 1.00 0.00 H new ATOM 0 HA PHE A 81 6.233 0.446 7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.319 -0.290 9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.301 1.411 10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.946 2.945 8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.331 -1.232 9.060 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.580 3.137 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.965 -1.034 8.338 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.085 1.166 7.606 1.00 0.00 H new ATOM 1275 N ASN A 82 6.755 3.357 8.807 1.00 0.00 N ATOM 1276 CA ASN A 82 6.799 4.801 8.540 1.00 0.00 C ATOM 1277 C ASN A 82 7.779 5.173 7.406 1.00 0.00 C ATOM 1278 O ASN A 82 7.623 6.232 6.797 1.00 0.00 O ATOM 1279 CB ASN A 82 7.158 5.558 9.834 1.00 0.00 C ATOM 1280 CG ASN A 82 5.995 6.347 10.418 1.00 0.00 C ATOM 1281 OD1 ASN A 82 5.748 7.488 10.058 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.269 5.810 11.384 1.00 0.00 N ATOM 0 H ASN A 82 7.012 3.108 9.762 1.00 0.00 H new ATOM 0 HA ASN A 82 5.807 5.098 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.512 4.844 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.983 6.240 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.517 6.347 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.461 4.859 11.697 1.00 0.00 H new ATOM 1289 N GLU A 83 8.782 4.333 7.137 1.00 0.00 N ATOM 1290 CA GLU A 83 9.705 4.378 6.003 1.00 0.00 C ATOM 1291 C GLU A 83 8.937 4.007 4.739 1.00 0.00 C ATOM 1292 O GLU A 83 8.869 4.792 3.797 1.00 0.00 O ATOM 1293 CB GLU A 83 10.851 3.362 6.197 1.00 0.00 C ATOM 1294 CG GLU A 83 11.800 3.698 7.352 1.00 0.00 C ATOM 1295 CD GLU A 83 12.849 4.764 7.012 1.00 0.00 C ATOM 1296 OE1 GLU A 83 12.578 5.690 6.221 1.00 0.00 O ATOM 1297 OE2 GLU A 83 13.955 4.677 7.609 1.00 0.00 O ATOM 0 H GLU A 83 8.984 3.546 7.753 1.00 0.00 H new ATOM 0 HA GLU A 83 10.127 5.380 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.421 2.375 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.428 3.301 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.212 4.041 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.311 2.787 7.664 1.00 0.00 H new ATOM 1304 N GLY A 84 8.323 2.818 4.737 1.00 0.00 N ATOM 1305 CA GLY A 84 7.588 2.292 3.599 1.00 0.00 C ATOM 1306 C GLY A 84 6.446 3.208 3.165 1.00 0.00 C ATOM 1307 O GLY A 84 6.088 3.208 1.990 1.00 0.00 O ATOM 0 H GLY A 84 8.328 2.191 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.273 2.150 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.186 1.311 3.852 1.00 0.00 H new ATOM 1311 N LEU A 85 5.881 3.993 4.089 1.00 0.00 N ATOM 1312 CA LEU A 85 4.924 5.043 3.767 1.00 0.00 C ATOM 1313 C LEU A 85 5.569 6.147 2.922 1.00 0.00 C ATOM 1314 O LEU A 85 4.994 6.523 1.906 1.00 0.00 O ATOM 1315 CB LEU A 85 4.275 5.639 5.031 1.00 0.00 C ATOM 1316 CG LEU A 85 2.951 4.974 5.472 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.440 5.731 6.701 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.869 4.994 4.382 1.00 0.00 C ATOM 0 H LEU A 85 6.080 3.912 5.086 1.00 0.00 H new ATOM 0 HA LEU A 85 4.134 4.578 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.988 5.570 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.090 6.699 4.858 1.00 0.00 H new ATOM 0 HG LEU A 85 3.154 3.925 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.504 5.286 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.180 5.670 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.272 6.776 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.966 4.512 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.644 6.026 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.228 4.459 3.503 1.00 0.00 H new ATOM 1330 N TRP A 86 6.736 6.675 3.303 1.00 0.00 N ATOM 1331 CA TRP A 86 7.419 7.672 2.478 1.00 0.00 C ATOM 1332 C TRP A 86 7.761 7.079 1.107 1.00 0.00 C ATOM 1333 O TRP A 86 7.587 7.744 0.084 1.00 0.00 O ATOM 1334 CB TRP A 86 8.639 8.251 3.206 1.00 0.00 C ATOM 1335 CG TRP A 86 9.270 9.400 2.487 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.016 10.713 2.677 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.207 9.333 1.380 1.00 0.00 C ATOM 1338 NE1 TRP A 86 9.713 11.461 1.746 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.477 10.655 0.922 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.816 8.265 0.701 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.335 10.905 -0.159 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.700 8.500 -0.370 1.00 0.00 C ATOM 1343 CH2 TRP A 86 11.960 9.818 -0.800 1.00 0.00 C ATOM 0 H TRP A 86 7.221 6.432 4.166 1.00 0.00 H new ATOM 0 HA TRP A 86 6.748 8.513 2.303 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.338 8.576 4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.381 7.464 3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 86 8.367 11.117 3.440 1.00 0.00 H new ATOM 0 HE1 TRP A 86 9.669 12.478 1.676 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.604 7.250 1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 11.514 11.916 -0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.180 7.668 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.639 9.994 -1.621 1.00 0.00 H new ATOM 1354 N GLU A 87 8.204 5.820 1.078 1.00 0.00 N ATOM 1355 CA GLU A 87 8.576 5.131 -0.148 1.00 0.00 C ATOM 1356 C GLU A 87 7.391 5.006 -1.108 1.00 0.00 C ATOM 1357 O GLU A 87 7.515 5.409 -2.265 1.00 0.00 O ATOM 1358 CB GLU A 87 9.213 3.772 0.190 1.00 0.00 C ATOM 1359 CG GLU A 87 10.729 3.841 -0.026 1.00 0.00 C ATOM 1360 CD GLU A 87 11.467 2.585 0.407 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.903 1.476 0.294 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.638 2.731 0.810 1.00 0.00 O ATOM 0 H GLU A 87 8.314 5.249 1.916 1.00 0.00 H new ATOM 0 HA GLU A 87 9.322 5.726 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.996 3.505 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.782 2.992 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.928 4.023 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.127 4.693 0.525 1.00 0.00 H new ATOM 1369 N ILE A 88 6.240 4.496 -0.652 1.00 0.00 N ATOM 1370 CA ILE A 88 5.064 4.327 -1.512 1.00 0.00 C ATOM 1371 C ILE A 88 4.507 5.687 -1.953 1.00 0.00 C ATOM 1372 O ILE A 88 3.921 5.820 -3.032 1.00 0.00 O ATOM 1373 CB ILE A 88 4.007 3.442 -0.808 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.972 2.918 -1.815 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.282 4.164 0.341 1.00 0.00 C ATOM 1376 CD1 ILE A 88 2.278 1.644 -1.332 1.00 0.00 C ATOM 0 H ILE A 88 6.099 4.192 0.312 1.00 0.00 H new ATOM 0 HA ILE A 88 5.359 3.807 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 88 4.558 2.607 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.223 3.689 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.464 2.721 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.554 3.490 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.008 4.471 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.769 5.043 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.557 1.316 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.021 0.862 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.761 1.845 -0.394 1.00 0.00 H new ATOM 1388 N GLU A 89 4.681 6.721 -1.129 1.00 0.00 N ATOM 1389 CA GLU A 89 4.303 8.073 -1.493 1.00 0.00 C ATOM 1390 C GLU A 89 5.208 8.613 -2.601 1.00 0.00 C ATOM 1391 O GLU A 89 4.734 9.349 -3.467 1.00 0.00 O ATOM 1392 CB GLU A 89 4.250 8.983 -0.260 1.00 0.00 C ATOM 1393 CG GLU A 89 2.975 8.685 0.541 1.00 0.00 C ATOM 1394 CD GLU A 89 2.596 9.769 1.548 1.00 0.00 C ATOM 1395 OE1 GLU A 89 3.420 10.198 2.395 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.418 10.196 1.491 1.00 0.00 O ATOM 0 H GLU A 89 5.086 6.638 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 89 3.293 8.055 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.130 8.821 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.264 10.029 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.147 8.547 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.106 7.742 1.072 1.00 0.00 H new ATOM 1403 N ASN A 90 6.471 8.197 -2.665 1.00 0.00 N ATOM 1404 CA ASN A 90 7.421 8.637 -3.686 1.00 0.00 C ATOM 1405 C ASN A 90 7.473 7.625 -4.834 1.00 0.00 C ATOM 1406 O ASN A 90 8.536 7.362 -5.408 1.00 0.00 O ATOM 1407 CB ASN A 90 8.768 8.998 -3.037 1.00 0.00 C ATOM 1408 CG ASN A 90 8.603 10.325 -2.307 1.00 0.00 C ATOM 1409 OD1 ASN A 90 8.811 11.393 -2.884 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.121 10.305 -1.079 1.00 0.00 N ATOM 0 H ASN A 90 6.870 7.535 -1.999 1.00 0.00 H new ATOM 0 HA ASN A 90 7.090 9.562 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.077 8.217 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.547 9.075 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.916 11.180 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.953 9.414 -0.612 1.00 0.00 H new