USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 91 GLN : amide:sc= -0.11 K(o=0.91,f=0.28) USER MOD Set 1.2: A 95 SER OG : rot 83:sc= 1.02 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.98 K(o=-3.4,f=-4.5!) USER MOD Set 2.2: A 104 CYS SG : rot 180:sc= -2.43! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0617 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -13.3! C(o=-13!,f=-17!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00874) USER MOD Single : A 61 SER OG : rot -101:sc= 0.378 USER MOD Single : A 64 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.0056) USER MOD Single : A 65 THR OG1 : rot -95:sc= 0.758 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 179:sc= -0.517 (180deg=-0.522) USER MOD Single : A 73 GLN : amide:sc= -2.25! C(o=-2.2!,f=-7.4!) USER MOD Single : A 78 ASN : amide:sc= 0.0129 K(o=0.013,f=-8.9!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 157:sc= -2.2 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 97 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.19) USER MOD Single : A 111 MET CE :methyl -158:sc= -1.72 (180deg=-2.34) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.737 -14.147 4.288 1.00 0.00 N ATOM 84 CA TYR A 9 -8.471 -14.786 3.010 1.00 0.00 C ATOM 85 C TYR A 9 -7.934 -16.204 3.206 1.00 0.00 C ATOM 86 O TYR A 9 -7.590 -16.593 4.322 1.00 0.00 O ATOM 87 CB TYR A 9 -7.397 -13.936 2.330 1.00 0.00 C ATOM 88 CG TYR A 9 -7.932 -12.657 1.682 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.988 -12.723 0.796 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.358 -11.439 1.983 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.493 -11.519 0.186 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.863 -10.235 1.374 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.904 -10.335 0.505 1.00 0.00 C ATOM 94 OH TYR A 9 -9.381 -9.199 -0.070 1.00 0.00 O ATOM 0 HA TYR A 9 -9.384 -14.857 2.419 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.640 -13.668 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.901 -14.537 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.436 -13.677 0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.530 -11.388 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.320 -11.556 -0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.425 -9.275 1.603 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.866 -8.429 0.250 1.00 0.00 H new ATOM 104 N ILE A 10 -7.879 -16.940 2.106 1.00 0.00 N ATOM 105 CA ILE A 10 -7.389 -18.308 2.143 1.00 0.00 C ATOM 106 C ILE A 10 -5.867 -18.295 2.291 1.00 0.00 C ATOM 107 O ILE A 10 -5.285 -19.233 2.837 1.00 0.00 O ATOM 108 CB ILE A 10 -7.882 -19.086 0.922 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.253 -18.546 -0.363 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.410 -19.091 0.854 1.00 0.00 C ATOM 111 CD1 ILE A 10 -7.426 -19.537 -1.517 1.00 0.00 C ATOM 0 H ILE A 10 -8.166 -16.615 1.183 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.789 -18.834 3.010 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.562 -20.123 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.713 -17.593 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.193 -18.354 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.733 -19.651 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.813 -19.560 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.774 -18.066 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.970 -19.129 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.944 -20.481 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.488 -19.708 -1.693 1.00 0.00 H new ATOM 123 N PHE A 11 -5.264 -17.225 1.797 1.00 0.00 N ATOM 124 CA PHE A 11 -3.820 -17.077 1.868 1.00 0.00 C ATOM 125 C PHE A 11 -3.406 -16.329 3.136 1.00 0.00 C ATOM 126 O PHE A 11 -4.225 -15.654 3.757 1.00 0.00 O ATOM 127 CB PHE A 11 -3.393 -16.262 0.646 1.00 0.00 C ATOM 128 CG PHE A 11 -4.193 -14.973 0.447 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.024 -13.930 1.302 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.072 -14.872 -0.586 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.767 -12.734 1.117 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.815 -13.676 -0.770 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.647 -12.632 0.086 1.00 0.00 C ATOM 0 H PHE A 11 -5.750 -16.450 1.345 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.347 -18.059 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.337 -16.011 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.495 -16.882 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.325 -14.011 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.205 -15.701 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.633 -11.905 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.514 -13.595 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.213 -11.723 -0.054 1.00 0.00 H new ATOM 143 N PRO A 12 -2.103 -16.477 3.492 1.00 0.00 N ATOM 144 CA PRO A 12 -1.570 -15.823 4.675 1.00 0.00 C ATOM 145 C PRO A 12 -1.368 -14.326 4.430 1.00 0.00 C ATOM 146 O PRO A 12 -0.635 -13.936 3.523 1.00 0.00 O ATOM 147 CB PRO A 12 -0.273 -16.555 4.980 1.00 0.00 C ATOM 148 CG PRO A 12 0.108 -17.280 3.699 1.00 0.00 C ATOM 149 CD PRO A 12 -1.104 -17.270 2.780 1.00 0.00 C ATOM 0 HA PRO A 12 -2.250 -15.874 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.508 -15.857 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.406 -17.258 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.955 -16.789 3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.414 -18.303 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.864 -16.828 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.464 -18.281 2.588 1.00 0.00 H new ATOM 157 N HIS A 13 -2.031 -13.529 5.255 1.00 0.00 N ATOM 158 CA HIS A 13 -1.934 -12.085 5.139 1.00 0.00 C ATOM 159 C HIS A 13 -1.777 -11.468 6.530 1.00 0.00 C ATOM 160 O HIS A 13 -1.904 -12.161 7.538 1.00 0.00 O ATOM 161 CB HIS A 13 -3.130 -11.519 4.371 1.00 0.00 C ATOM 162 CG HIS A 13 -4.298 -11.137 5.249 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.606 -11.806 6.419 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.229 -10.148 5.113 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.676 -11.237 6.957 1.00 0.00 C ATOM 166 NE2 HIS A 13 -6.060 -10.211 6.146 1.00 0.00 N ATOM 0 H HIS A 13 -2.638 -13.857 6.007 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.048 -11.822 4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.807 -10.641 3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.463 -12.257 3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.281 -9.436 4.303 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.159 -11.534 7.876 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.855 -9.593 6.307 1.00 0.00 H new ATOM 174 N ALA A 14 -1.504 -10.171 6.540 1.00 0.00 N ATOM 175 CA ALA A 14 -1.328 -9.453 7.790 1.00 0.00 C ATOM 176 C ALA A 14 -1.458 -7.950 7.534 1.00 0.00 C ATOM 177 O ALA A 14 -0.595 -7.349 6.896 1.00 0.00 O ATOM 178 CB ALA A 14 0.022 -9.825 8.408 1.00 0.00 C ATOM 0 H ALA A 14 -1.401 -9.599 5.702 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.102 -9.733 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.154 -9.286 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.052 -10.898 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.824 -9.557 7.720 1.00 0.00 H new ATOM 184 N ARG A 15 -2.543 -7.386 8.043 1.00 0.00 N ATOM 185 CA ARG A 15 -2.797 -5.965 7.876 1.00 0.00 C ATOM 186 C ARG A 15 -2.092 -5.168 8.975 1.00 0.00 C ATOM 187 O ARG A 15 -2.313 -5.410 10.161 1.00 0.00 O ATOM 188 CB ARG A 15 -4.296 -5.664 7.919 1.00 0.00 C ATOM 189 CG ARG A 15 -5.069 -6.599 6.985 1.00 0.00 C ATOM 190 CD ARG A 15 -6.567 -6.570 7.299 1.00 0.00 C ATOM 191 NE ARG A 15 -7.252 -5.613 6.402 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.556 -5.673 6.096 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.322 -6.643 6.613 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.093 -4.762 5.273 1.00 0.00 N ATOM 0 H ARG A 15 -3.257 -7.887 8.572 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.407 -5.671 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.664 -5.776 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.471 -4.628 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.905 -6.302 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.691 -7.616 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.993 -7.566 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.724 -6.283 8.339 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.698 -4.861 5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.913 -7.336 7.240 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.314 -6.688 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.510 -4.023 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.085 -4.807 5.040 1.00 0.00 H new ATOM 208 N ILE A 16 -1.258 -4.233 8.543 1.00 0.00 N ATOM 209 CA ILE A 16 -0.521 -3.399 9.475 1.00 0.00 C ATOM 210 C ILE A 16 -0.885 -1.932 9.239 1.00 0.00 C ATOM 211 O ILE A 16 -1.340 -1.568 8.155 1.00 0.00 O ATOM 212 CB ILE A 16 0.980 -3.683 9.378 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.307 -5.086 9.894 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.791 -2.603 10.097 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.128 -6.132 8.792 1.00 0.00 C ATOM 0 H ILE A 16 -1.077 -4.035 7.559 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.801 -3.636 10.501 1.00 0.00 H new ATOM 0 HB ILE A 16 1.266 -3.652 8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.333 -5.112 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.660 -5.327 10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.854 -2.829 10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.589 -1.633 9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.508 -2.576 11.149 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.367 -7.120 9.186 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.095 -6.120 8.444 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.794 -5.902 7.960 1.00 0.00 H new ATOM 227 N LYS A 17 -0.672 -1.128 10.272 1.00 0.00 N ATOM 228 CA LYS A 17 -0.972 0.291 10.190 1.00 0.00 C ATOM 229 C LYS A 17 0.335 1.085 10.190 1.00 0.00 C ATOM 230 O LYS A 17 1.235 0.806 10.980 1.00 0.00 O ATOM 231 CB LYS A 17 -1.940 0.698 11.303 1.00 0.00 C ATOM 232 CG LYS A 17 -1.307 1.745 12.223 1.00 0.00 C ATOM 233 CD LYS A 17 -0.331 1.094 13.205 1.00 0.00 C ATOM 234 CE LYS A 17 -0.864 1.166 14.636 1.00 0.00 C ATOM 235 NZ LYS A 17 0.236 0.977 15.609 1.00 0.00 N ATOM 0 H LYS A 17 -0.295 -1.433 11.169 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.483 0.520 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.855 1.098 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.222 -0.180 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.783 2.491 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.088 2.269 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.169 0.053 12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.636 1.594 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.344 2.130 14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.625 0.401 14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.143 1.029 16.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.676 0.047 15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.949 1.723 15.476 1.00 0.00 H new ATOM 249 N ILE A 18 0.398 2.061 9.295 1.00 0.00 N ATOM 250 CA ILE A 18 1.580 2.897 9.182 1.00 0.00 C ATOM 251 C ILE A 18 1.453 4.083 10.139 1.00 0.00 C ATOM 252 O ILE A 18 0.577 4.930 9.972 1.00 0.00 O ATOM 253 CB ILE A 18 1.811 3.304 7.725 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.526 2.137 6.777 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.219 3.870 7.530 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.610 1.065 6.886 1.00 0.00 C ATOM 0 H ILE A 18 -0.351 2.291 8.642 1.00 0.00 H new ATOM 0 HA ILE A 18 2.470 2.341 9.478 1.00 0.00 H new ATOM 0 HB ILE A 18 1.107 4.099 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.555 1.702 7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.472 2.502 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.357 4.151 6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.349 4.748 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.956 3.114 7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.383 0.247 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.577 1.497 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.644 0.685 7.907 1.00 0.00 H new ATOM 268 N THR A 19 2.342 4.107 11.122 1.00 0.00 N ATOM 269 CA THR A 19 2.341 5.175 12.107 1.00 0.00 C ATOM 270 C THR A 19 3.467 6.169 11.817 1.00 0.00 C ATOM 271 O THR A 19 4.620 5.774 11.651 1.00 0.00 O ATOM 272 CB THR A 19 2.434 4.539 13.495 1.00 0.00 C ATOM 273 OG1 THR A 19 2.839 3.198 13.236 1.00 0.00 O ATOM 274 CG2 THR A 19 1.066 4.392 14.166 1.00 0.00 C ATOM 0 H THR A 19 3.068 3.403 11.257 1.00 0.00 H new ATOM 0 HA THR A 19 1.419 5.754 12.061 1.00 0.00 H new ATOM 0 HB THR A 19 3.085 5.143 14.127 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.926 2.713 14.083 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.190 3.935 15.148 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.608 5.375 14.278 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.425 3.761 13.551 1.00 0.00 H new ATOM 449 N LEU A 32 4.069 9.594 5.552 1.00 0.00 N ATOM 450 CA LEU A 32 4.663 8.267 5.545 1.00 0.00 C ATOM 451 C LEU A 32 5.760 8.211 4.480 1.00 0.00 C ATOM 452 O LEU A 32 5.979 9.181 3.757 1.00 0.00 O ATOM 453 CB LEU A 32 3.583 7.198 5.375 1.00 0.00 C ATOM 454 CG LEU A 32 2.207 7.535 5.952 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.165 6.499 5.525 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.272 7.690 7.472 1.00 0.00 C ATOM 0 HA LEU A 32 5.138 8.056 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.468 6.993 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.935 6.278 5.841 1.00 0.00 H new ATOM 0 HG LEU A 32 1.892 8.496 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.196 6.762 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.093 6.482 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.463 5.514 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.280 7.929 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.619 6.758 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.963 8.493 7.727 1.00 0.00 H new ATOM 468 N GLY A 33 6.420 7.064 4.417 1.00 0.00 N ATOM 469 CA GLY A 33 7.488 6.867 3.453 1.00 0.00 C ATOM 470 C GLY A 33 7.442 5.457 2.862 1.00 0.00 C ATOM 471 O GLY A 33 8.049 4.533 3.403 1.00 0.00 O ATOM 0 H GLY A 33 6.235 6.261 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.401 7.603 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.452 7.032 3.935 1.00 0.00 H new ATOM 475 N ILE A 34 6.716 5.334 1.762 1.00 0.00 N ATOM 476 CA ILE A 34 6.582 4.051 1.092 1.00 0.00 C ATOM 477 C ILE A 34 6.282 4.282 -0.390 1.00 0.00 C ATOM 478 O ILE A 34 5.414 5.084 -0.734 1.00 0.00 O ATOM 479 CB ILE A 34 5.541 3.183 1.802 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.516 1.768 1.217 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.161 3.842 1.766 1.00 0.00 C ATOM 482 CD1 ILE A 34 5.153 0.739 2.289 1.00 0.00 C ATOM 0 H ILE A 34 6.214 6.102 1.317 1.00 0.00 H new ATOM 0 HA ILE A 34 7.518 3.495 1.144 1.00 0.00 H new ATOM 0 HB ILE A 34 5.828 3.094 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.794 1.720 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.491 1.528 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.440 3.204 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.207 4.810 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.851 3.982 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.142 -0.258 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.891 0.773 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.167 0.967 2.694 1.00 0.00 H new ATOM 494 N ARG A 35 7.018 3.567 -1.228 1.00 0.00 N ATOM 495 CA ARG A 35 6.842 3.685 -2.666 1.00 0.00 C ATOM 496 C ARG A 35 6.176 2.425 -3.224 1.00 0.00 C ATOM 497 O ARG A 35 6.807 1.373 -3.315 1.00 0.00 O ATOM 498 CB ARG A 35 8.184 3.898 -3.370 1.00 0.00 C ATOM 499 CG ARG A 35 8.556 5.382 -3.403 1.00 0.00 C ATOM 500 CD ARG A 35 8.466 5.937 -4.826 1.00 0.00 C ATOM 501 NE ARG A 35 9.337 7.127 -4.961 1.00 0.00 N ATOM 502 CZ ARG A 35 9.639 7.707 -6.130 1.00 0.00 C ATOM 503 NH1 ARG A 35 9.143 7.212 -7.272 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.438 8.783 -6.156 1.00 0.00 N ATOM 0 H ARG A 35 7.737 2.904 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 35 6.206 4.550 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.963 3.336 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.131 3.510 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.890 5.942 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.568 5.516 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.766 5.173 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.434 6.203 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 35 9.731 7.530 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.535 6.393 -7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.373 7.654 -8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.815 9.159 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.669 9.226 -7.046 1.00 0.00 H new ATOM 518 N ILE A 36 4.909 2.574 -3.584 1.00 0.00 N ATOM 519 CA ILE A 36 4.151 1.462 -4.131 1.00 0.00 C ATOM 520 C ILE A 36 3.816 1.750 -5.595 1.00 0.00 C ATOM 521 O ILE A 36 3.312 2.825 -5.920 1.00 0.00 O ATOM 522 CB ILE A 36 2.924 1.173 -3.265 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.332 0.555 -1.925 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.916 0.301 -4.015 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.243 0.766 -0.870 1.00 0.00 C ATOM 0 H ILE A 36 4.389 3.448 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 36 4.747 0.550 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 36 2.430 2.120 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.517 -0.511 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.266 1.002 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.053 0.111 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.591 0.816 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.384 -0.646 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.558 0.318 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.077 1.834 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.317 0.297 -1.204 1.00 0.00 H new ATOM 537 N VAL A 37 4.109 0.772 -6.440 1.00 0.00 N ATOM 538 CA VAL A 37 3.844 0.907 -7.862 1.00 0.00 C ATOM 539 C VAL A 37 2.631 0.052 -8.234 1.00 0.00 C ATOM 540 O VAL A 37 2.684 -1.174 -8.154 1.00 0.00 O ATOM 541 CB VAL A 37 5.097 0.549 -8.664 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.778 0.429 -10.156 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.213 1.567 -8.421 1.00 0.00 C ATOM 0 H VAL A 37 4.527 -0.117 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 37 3.601 1.940 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 37 5.450 -0.423 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.686 0.174 -10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.032 -0.351 -10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.389 1.379 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.092 1.289 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.875 2.557 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.469 1.581 -7.361 1.00 0.00 H new ATOM 553 N GLY A 38 1.567 0.733 -8.634 1.00 0.00 N ATOM 554 CA GLY A 38 0.343 0.052 -9.019 1.00 0.00 C ATOM 555 C GLY A 38 0.363 -0.312 -10.505 1.00 0.00 C ATOM 556 O GLY A 38 1.382 -0.151 -11.174 1.00 0.00 O ATOM 0 H GLY A 38 1.528 1.750 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.222 -0.851 -8.421 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.515 0.691 -8.809 1.00 0.00 H new ATOM 560 N GLY A 39 -0.777 -0.794 -10.979 1.00 0.00 N ATOM 561 CA GLY A 39 -0.904 -1.182 -12.374 1.00 0.00 C ATOM 562 C GLY A 39 0.240 -2.108 -12.792 1.00 0.00 C ATOM 563 O GLY A 39 0.588 -2.178 -13.970 1.00 0.00 O ATOM 0 H GLY A 39 -1.621 -0.925 -10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.859 -1.684 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.905 -0.292 -13.004 1.00 0.00 H new ATOM 567 N LYS A 40 0.794 -2.795 -11.804 1.00 0.00 N ATOM 568 CA LYS A 40 1.892 -3.713 -12.055 1.00 0.00 C ATOM 569 C LYS A 40 1.351 -5.143 -12.120 1.00 0.00 C ATOM 570 O LYS A 40 0.549 -5.546 -11.280 1.00 0.00 O ATOM 571 CB LYS A 40 2.998 -3.522 -11.015 1.00 0.00 C ATOM 572 CG LYS A 40 4.374 -3.810 -11.619 1.00 0.00 C ATOM 573 CD LYS A 40 4.966 -5.100 -11.047 1.00 0.00 C ATOM 574 CE LYS A 40 6.413 -5.289 -11.502 1.00 0.00 C ATOM 575 NZ LYS A 40 6.763 -6.726 -11.536 1.00 0.00 N ATOM 0 H LYS A 40 0.503 -2.734 -10.828 1.00 0.00 H new ATOM 0 HA LYS A 40 2.352 -3.501 -13.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.971 -2.501 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.823 -4.184 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.289 -3.894 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.046 -2.976 -11.416 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.924 -5.072 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.366 -5.952 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.549 -4.852 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.085 -4.761 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.749 -6.836 -11.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.653 -7.133 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.134 -7.221 -12.200 1.00 0.00 H new ATOM 589 N GLU A 41 1.812 -5.870 -13.127 1.00 0.00 N ATOM 590 CA GLU A 41 1.384 -7.246 -13.314 1.00 0.00 C ATOM 591 C GLU A 41 1.689 -8.071 -12.062 1.00 0.00 C ATOM 592 O GLU A 41 2.828 -8.105 -11.599 1.00 0.00 O ATOM 593 CB GLU A 41 2.042 -7.862 -14.551 1.00 0.00 C ATOM 594 CG GLU A 41 1.127 -8.905 -15.196 1.00 0.00 C ATOM 595 CD GLU A 41 1.554 -9.192 -16.637 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.454 -10.043 -16.803 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.972 -8.554 -17.540 1.00 0.00 O ATOM 0 H GLU A 41 2.478 -5.532 -13.822 1.00 0.00 H new ATOM 0 HA GLU A 41 0.306 -7.252 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.272 -7.079 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.988 -8.326 -14.271 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.153 -9.827 -14.615 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.097 -8.549 -15.182 1.00 0.00 H new ATOM 604 N ILE A 42 0.651 -8.716 -11.550 1.00 0.00 N ATOM 605 CA ILE A 42 0.794 -9.539 -10.361 1.00 0.00 C ATOM 606 C ILE A 42 1.542 -10.823 -10.722 1.00 0.00 C ATOM 607 O ILE A 42 1.336 -11.386 -11.796 1.00 0.00 O ATOM 608 CB ILE A 42 -0.570 -9.784 -9.712 1.00 0.00 C ATOM 609 CG1 ILE A 42 -1.195 -8.470 -9.238 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.463 -10.809 -8.581 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.719 -8.587 -9.154 1.00 0.00 C ATOM 0 H ILE A 42 -0.292 -8.685 -11.937 1.00 0.00 H new ATOM 0 HA ILE A 42 1.391 -9.022 -9.610 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.236 -10.205 -10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.793 -8.203 -8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.925 -7.667 -9.924 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.446 -10.965 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.091 -11.753 -8.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.225 -10.440 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.138 -7.640 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.120 -8.830 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.985 -9.375 -8.449 1.00 0.00 H new ATOM 623 N PRO A 43 2.420 -11.261 -9.779 1.00 0.00 N ATOM 624 CA PRO A 43 3.201 -12.468 -9.988 1.00 0.00 C ATOM 625 C PRO A 43 2.336 -13.719 -9.812 1.00 0.00 C ATOM 626 O PRO A 43 2.620 -14.560 -8.962 1.00 0.00 O ATOM 627 CB PRO A 43 4.333 -12.383 -8.977 1.00 0.00 C ATOM 628 CG PRO A 43 3.885 -11.373 -7.933 1.00 0.00 C ATOM 629 CD PRO A 43 2.691 -10.620 -8.495 1.00 0.00 C ATOM 0 HA PRO A 43 3.594 -12.544 -11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.525 -13.355 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.260 -12.066 -9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.616 -11.877 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.695 -10.683 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.831 -10.688 -7.829 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.914 -9.561 -8.620 1.00 0.00 H new ATOM 637 N GLY A 44 1.296 -13.799 -10.629 1.00 0.00 N ATOM 638 CA GLY A 44 0.387 -14.931 -10.575 1.00 0.00 C ATOM 639 C GLY A 44 -1.066 -14.463 -10.484 1.00 0.00 C ATOM 640 O GLY A 44 -1.573 -14.208 -9.392 1.00 0.00 O ATOM 0 H GLY A 44 1.063 -13.098 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.518 -15.550 -11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.627 -15.554 -9.713 1.00 0.00 H new ATOM 644 N HIS A 45 -1.698 -14.365 -11.645 1.00 0.00 N ATOM 645 CA HIS A 45 -3.083 -13.933 -11.710 1.00 0.00 C ATOM 646 C HIS A 45 -3.696 -14.371 -13.041 1.00 0.00 C ATOM 647 O HIS A 45 -3.026 -15.000 -13.859 1.00 0.00 O ATOM 648 CB HIS A 45 -3.193 -12.425 -11.475 1.00 0.00 C ATOM 649 CG HIS A 45 -2.228 -11.603 -12.295 1.00 0.00 C ATOM 650 ND1 HIS A 45 -2.530 -10.335 -12.760 1.00 0.00 N ATOM 651 CD2 HIS A 45 -0.963 -11.880 -12.725 1.00 0.00 C ATOM 652 CE1 HIS A 45 -1.488 -9.880 -13.441 1.00 0.00 C ATOM 653 NE2 HIS A 45 -0.519 -10.840 -13.419 1.00 0.00 N ATOM 0 H HIS A 45 -1.275 -14.578 -12.549 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.654 -14.410 -10.913 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.210 -12.106 -11.702 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.023 -12.219 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.416 -12.791 -12.533 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.418 -8.918 -13.928 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.397 -10.770 -13.863 1.00 0.00 H new ATOM 661 N SER A 46 -4.961 -14.021 -13.217 1.00 0.00 N ATOM 662 CA SER A 46 -5.671 -14.371 -14.436 1.00 0.00 C ATOM 663 C SER A 46 -5.870 -13.125 -15.302 1.00 0.00 C ATOM 664 O SER A 46 -6.994 -12.805 -15.687 1.00 0.00 O ATOM 665 CB SER A 46 -7.022 -15.018 -14.120 1.00 0.00 C ATOM 666 OG SER A 46 -6.940 -16.440 -14.097 1.00 0.00 O ATOM 0 H SER A 46 -5.513 -13.499 -12.536 1.00 0.00 H new ATOM 0 HA SER A 46 -5.070 -15.096 -14.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.379 -14.660 -13.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.755 -14.709 -14.865 1.00 0.00 H new ATOM 0 HG SER A 46 -7.821 -16.815 -13.890 1.00 0.00 H new ATOM 672 N GLY A 47 -4.761 -12.456 -15.582 1.00 0.00 N ATOM 673 CA GLY A 47 -4.799 -11.252 -16.396 1.00 0.00 C ATOM 674 C GLY A 47 -5.369 -10.074 -15.604 1.00 0.00 C ATOM 675 O GLY A 47 -6.492 -9.639 -15.854 1.00 0.00 O ATOM 0 H GLY A 47 -3.831 -12.724 -15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.794 -11.010 -16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.408 -11.427 -17.283 1.00 0.00 H new ATOM 679 N GLU A 48 -4.568 -9.589 -14.666 1.00 0.00 N ATOM 680 CA GLU A 48 -4.979 -8.469 -13.837 1.00 0.00 C ATOM 681 C GLU A 48 -3.808 -7.506 -13.630 1.00 0.00 C ATOM 682 O GLU A 48 -2.916 -7.416 -14.472 1.00 0.00 O ATOM 683 CB GLU A 48 -5.534 -8.955 -12.497 1.00 0.00 C ATOM 684 CG GLU A 48 -6.802 -8.187 -12.118 1.00 0.00 C ATOM 685 CD GLU A 48 -7.913 -8.425 -13.144 1.00 0.00 C ATOM 686 OE1 GLU A 48 -8.217 -9.613 -13.386 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.433 -7.413 -13.662 1.00 0.00 O ATOM 0 H GLU A 48 -3.637 -9.951 -14.462 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.778 -7.934 -14.351 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.754 -10.021 -12.555 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.781 -8.827 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.140 -8.501 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.581 -7.121 -12.056 1.00 0.00 H new ATOM 694 N ILE A 49 -3.850 -6.808 -12.505 1.00 0.00 N ATOM 695 CA ILE A 49 -2.805 -5.854 -12.176 1.00 0.00 C ATOM 696 C ILE A 49 -3.005 -5.357 -10.742 1.00 0.00 C ATOM 697 O ILE A 49 -4.123 -5.033 -10.345 1.00 0.00 O ATOM 698 CB ILE A 49 -2.757 -4.731 -13.215 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.153 -4.439 -13.770 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.755 -5.054 -14.325 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.167 -3.127 -14.555 1.00 0.00 C ATOM 0 H ILE A 49 -4.592 -6.884 -11.809 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.827 -6.334 -12.214 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.410 -3.823 -12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.470 -5.257 -14.417 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.870 -4.384 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.740 -4.240 -15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.761 -5.174 -13.894 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.049 -5.978 -14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.171 -2.943 -14.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.873 -2.307 -13.899 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.467 -3.194 -15.388 1.00 0.00 H new ATOM 713 N GLY A 50 -1.905 -5.314 -10.006 1.00 0.00 N ATOM 714 CA GLY A 50 -1.946 -4.862 -8.625 1.00 0.00 C ATOM 715 C GLY A 50 -0.779 -3.921 -8.322 1.00 0.00 C ATOM 716 O GLY A 50 -0.052 -3.514 -9.227 1.00 0.00 O ATOM 0 H GLY A 50 -0.980 -5.585 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.889 -4.351 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.908 -5.722 -7.956 1.00 0.00 H new ATOM 720 N ALA A 51 -0.635 -3.601 -7.044 1.00 0.00 N ATOM 721 CA ALA A 51 0.432 -2.715 -6.609 1.00 0.00 C ATOM 722 C ALA A 51 1.351 -3.466 -5.644 1.00 0.00 C ATOM 723 O ALA A 51 0.923 -4.412 -4.985 1.00 0.00 O ATOM 724 CB ALA A 51 -0.173 -1.458 -5.981 1.00 0.00 C ATOM 0 H ALA A 51 -1.240 -3.940 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 51 1.037 -2.396 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.627 -0.793 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.793 -0.946 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.785 -1.738 -5.123 1.00 0.00 H new ATOM 730 N TYR A 52 2.596 -3.015 -5.590 1.00 0.00 N ATOM 731 CA TYR A 52 3.578 -3.632 -4.717 1.00 0.00 C ATOM 732 C TYR A 52 4.561 -2.592 -4.175 1.00 0.00 C ATOM 733 O TYR A 52 4.770 -1.549 -4.793 1.00 0.00 O ATOM 734 CB TYR A 52 4.342 -4.635 -5.583 1.00 0.00 C ATOM 735 CG TYR A 52 5.304 -3.988 -6.581 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.813 -3.379 -7.718 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.664 -4.015 -6.346 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.718 -2.771 -8.658 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.570 -3.407 -7.286 1.00 0.00 C ATOM 740 CZ TYR A 52 7.052 -2.815 -8.395 1.00 0.00 C ATOM 741 OH TYR A 52 7.908 -2.241 -9.283 1.00 0.00 O ATOM 0 H TYR A 52 2.946 -2.229 -6.137 1.00 0.00 H new ATOM 0 HA TYR A 52 3.090 -4.103 -3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.905 -5.306 -4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.625 -5.248 -6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.749 -3.359 -7.903 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.049 -4.492 -5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.347 -2.291 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.636 -3.421 -7.114 1.00 0.00 H new ATOM 0 HH TYR A 52 8.829 -2.348 -8.965 1.00 0.00 H new ATOM 751 N ILE A 53 5.138 -2.910 -3.026 1.00 0.00 N ATOM 752 CA ILE A 53 6.093 -2.017 -2.394 1.00 0.00 C ATOM 753 C ILE A 53 7.401 -2.033 -3.187 1.00 0.00 C ATOM 754 O ILE A 53 8.246 -2.902 -2.981 1.00 0.00 O ATOM 755 CB ILE A 53 6.265 -2.374 -0.916 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.941 -2.243 -0.163 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.374 -1.538 -0.276 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.684 -3.472 0.711 1.00 0.00 C ATOM 0 H ILE A 53 4.962 -3.775 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 53 5.723 -0.992 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 53 6.570 -3.418 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.959 -1.348 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.124 -2.121 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.476 -1.811 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.315 -1.726 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.123 -0.480 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.736 -3.353 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.643 -4.362 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.490 -3.577 1.437 1.00 0.00 H new ATOM 770 N ALA A 54 7.528 -1.060 -4.079 1.00 0.00 N ATOM 771 CA ALA A 54 8.718 -0.952 -4.904 1.00 0.00 C ATOM 772 C ALA A 54 9.952 -0.864 -4.003 1.00 0.00 C ATOM 773 O ALA A 54 10.843 -1.708 -4.081 1.00 0.00 O ATOM 774 CB ALA A 54 8.588 0.258 -5.832 1.00 0.00 C ATOM 0 H ALA A 54 6.826 -0.340 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 54 8.830 -1.835 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.481 0.339 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.714 0.134 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.476 1.164 -5.236 1.00 0.00 H new ATOM 780 N LYS A 55 9.963 0.164 -3.167 1.00 0.00 N ATOM 781 CA LYS A 55 11.072 0.372 -2.252 1.00 0.00 C ATOM 782 C LYS A 55 10.596 1.206 -1.061 1.00 0.00 C ATOM 783 O LYS A 55 10.012 2.273 -1.240 1.00 0.00 O ATOM 784 CB LYS A 55 12.268 0.979 -2.989 1.00 0.00 C ATOM 785 CG LYS A 55 13.092 1.870 -2.056 1.00 0.00 C ATOM 786 CD LYS A 55 13.826 1.032 -1.007 1.00 0.00 C ATOM 787 CE LYS A 55 14.936 1.845 -0.336 1.00 0.00 C ATOM 788 NZ LYS A 55 16.133 1.900 -1.204 1.00 0.00 N ATOM 0 H LYS A 55 9.222 0.862 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 55 11.422 -0.581 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.897 0.183 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.917 1.563 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.813 2.444 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.438 2.588 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.119 0.684 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.252 0.146 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.582 2.855 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.195 1.396 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.910 2.367 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.419 0.934 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.912 2.438 -2.066 1.00 0.00 H new ATOM 802 N ILE A 56 10.862 0.687 0.128 1.00 0.00 N ATOM 803 CA ILE A 56 10.468 1.370 1.348 1.00 0.00 C ATOM 804 C ILE A 56 11.480 2.476 1.658 1.00 0.00 C ATOM 805 O ILE A 56 12.687 2.264 1.561 1.00 0.00 O ATOM 806 CB ILE A 56 10.287 0.367 2.490 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.175 -0.634 2.168 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.043 1.085 3.818 1.00 0.00 C ATOM 809 CD1 ILE A 56 8.792 -1.446 3.407 1.00 0.00 C ATOM 0 H ILE A 56 11.346 -0.199 0.273 1.00 0.00 H new ATOM 0 HA ILE A 56 9.498 1.850 1.218 1.00 0.00 H new ATOM 0 HB ILE A 56 11.212 -0.200 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.300 -0.103 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.504 -1.306 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.918 0.349 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.895 1.725 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.142 1.694 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.000 -2.150 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.663 -1.995 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.440 -0.773 4.189 1.00 0.00 H new ATOM 821 N LEU A 57 10.948 3.634 2.024 1.00 0.00 N ATOM 822 CA LEU A 57 11.789 4.774 2.348 1.00 0.00 C ATOM 823 C LEU A 57 12.807 4.364 3.413 1.00 0.00 C ATOM 824 O LEU A 57 12.588 3.404 4.151 1.00 0.00 O ATOM 825 CB LEU A 57 10.930 5.976 2.748 1.00 0.00 C ATOM 826 CG LEU A 57 10.260 6.734 1.600 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.163 7.855 1.083 1.00 0.00 C ATOM 828 CD2 LEU A 57 9.840 5.776 0.483 1.00 0.00 C ATOM 0 H LEU A 57 9.946 3.807 2.103 1.00 0.00 H new ATOM 0 HA LEU A 57 12.354 5.093 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.154 5.631 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.555 6.676 3.303 1.00 0.00 H new ATOM 0 HG LEU A 57 9.353 7.202 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.663 8.378 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.371 8.557 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.100 7.430 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.366 6.340 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.719 5.261 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.135 5.044 0.877 1.00 0.00 H new ATOM 840 N PRO A 58 13.929 5.131 3.462 1.00 0.00 N ATOM 841 CA PRO A 58 14.982 4.859 4.423 1.00 0.00 C ATOM 842 C PRO A 58 14.572 5.309 5.827 1.00 0.00 C ATOM 843 O PRO A 58 14.425 6.503 6.082 1.00 0.00 O ATOM 844 CB PRO A 58 16.200 5.598 3.894 1.00 0.00 C ATOM 845 CG PRO A 58 15.668 6.630 2.915 1.00 0.00 C ATOM 846 CD PRO A 58 14.222 6.276 2.603 1.00 0.00 C ATOM 0 HA PRO A 58 15.193 3.795 4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.750 6.076 4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.890 4.912 3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.732 7.630 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.265 6.634 2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.555 7.111 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.094 6.025 1.550 1.00 0.00 H new ATOM 854 N GLY A 59 14.400 4.328 6.702 1.00 0.00 N ATOM 855 CA GLY A 59 14.010 4.609 8.073 1.00 0.00 C ATOM 856 C GLY A 59 12.689 5.379 8.121 1.00 0.00 C ATOM 857 O GLY A 59 12.591 6.410 8.784 1.00 0.00 O ATOM 0 H GLY A 59 14.524 3.338 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.910 3.675 8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.791 5.189 8.565 1.00 0.00 H new ATOM 861 N GLY A 60 11.705 4.848 7.410 1.00 0.00 N ATOM 862 CA GLY A 60 10.394 5.472 7.363 1.00 0.00 C ATOM 863 C GLY A 60 9.407 4.745 8.278 1.00 0.00 C ATOM 864 O GLY A 60 9.813 3.979 9.151 1.00 0.00 O ATOM 0 H GLY A 60 11.790 3.992 6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.474 6.516 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.020 5.464 6.339 1.00 0.00 H new ATOM 868 N SER A 61 8.130 5.009 8.047 1.00 0.00 N ATOM 869 CA SER A 61 7.081 4.390 8.839 1.00 0.00 C ATOM 870 C SER A 61 6.908 2.928 8.425 1.00 0.00 C ATOM 871 O SER A 61 6.869 2.038 9.274 1.00 0.00 O ATOM 872 CB SER A 61 5.760 5.145 8.691 1.00 0.00 C ATOM 873 OG SER A 61 5.875 6.508 9.091 1.00 0.00 O ATOM 0 H SER A 61 7.797 5.644 7.322 1.00 0.00 H new ATOM 0 HA SER A 61 7.374 4.431 9.888 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.431 5.099 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.993 4.655 9.291 1.00 0.00 H new ATOM 0 HG SER A 61 5.508 6.616 9.993 1.00 0.00 H new ATOM 879 N ALA A 62 6.807 2.724 7.120 1.00 0.00 N ATOM 880 CA ALA A 62 6.637 1.385 6.583 1.00 0.00 C ATOM 881 C ALA A 62 7.821 0.515 7.008 1.00 0.00 C ATOM 882 O ALA A 62 7.677 -0.695 7.181 1.00 0.00 O ATOM 883 CB ALA A 62 6.487 1.460 5.061 1.00 0.00 C ATOM 0 H ALA A 62 6.840 3.464 6.419 1.00 0.00 H new ATOM 0 HA ALA A 62 5.731 0.926 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.359 0.455 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.615 2.065 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.379 1.913 4.629 1.00 0.00 H new ATOM 889 N GLU A 63 8.965 1.165 7.167 1.00 0.00 N ATOM 890 CA GLU A 63 10.173 0.466 7.570 1.00 0.00 C ATOM 891 C GLU A 63 10.166 0.221 9.080 1.00 0.00 C ATOM 892 O GLU A 63 10.742 -0.755 9.557 1.00 0.00 O ATOM 893 CB GLU A 63 11.422 1.240 7.146 1.00 0.00 C ATOM 894 CG GLU A 63 12.644 0.321 7.086 1.00 0.00 C ATOM 895 CD GLU A 63 12.434 -0.804 6.071 1.00 0.00 C ATOM 896 OE1 GLU A 63 12.543 -0.506 4.862 1.00 0.00 O ATOM 897 OE2 GLU A 63 12.168 -1.938 6.528 1.00 0.00 O ATOM 0 H GLU A 63 9.080 2.168 7.024 1.00 0.00 H new ATOM 0 HA GLU A 63 10.196 -0.500 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.257 1.696 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.607 2.052 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.526 0.901 6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.833 -0.104 8.072 1.00 0.00 H new ATOM 904 N GLN A 64 9.507 1.126 9.791 1.00 0.00 N ATOM 905 CA GLN A 64 9.418 1.020 11.237 1.00 0.00 C ATOM 906 C GLN A 64 8.633 -0.233 11.631 1.00 0.00 C ATOM 907 O GLN A 64 9.047 -0.977 12.518 1.00 0.00 O ATOM 908 CB GLN A 64 8.784 2.276 11.840 1.00 0.00 C ATOM 909 CG GLN A 64 9.858 3.256 12.318 1.00 0.00 C ATOM 910 CD GLN A 64 9.538 3.777 13.720 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.470 4.301 13.987 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.523 3.607 14.597 1.00 0.00 N ATOM 0 H GLN A 64 9.030 1.935 9.392 1.00 0.00 H new ATOM 0 HA GLN A 64 10.428 0.933 11.638 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.149 2.760 11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.142 1.998 12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.830 2.763 12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.928 4.092 11.622 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.393 3.160 14.307 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.409 3.924 15.560 1.00 0.00 H new ATOM 921 N THR A 65 7.513 -0.429 10.951 1.00 0.00 N ATOM 922 CA THR A 65 6.666 -1.579 11.218 1.00 0.00 C ATOM 923 C THR A 65 7.520 -2.812 11.517 1.00 0.00 C ATOM 924 O THR A 65 7.341 -3.461 12.546 1.00 0.00 O ATOM 925 CB THR A 65 5.729 -1.764 10.022 1.00 0.00 C ATOM 926 OG1 THR A 65 6.609 -1.956 8.918 1.00 0.00 O ATOM 927 CG2 THR A 65 4.965 -0.485 9.673 1.00 0.00 C ATOM 0 H THR A 65 7.172 0.190 10.215 1.00 0.00 H new ATOM 0 HA THR A 65 6.055 -1.422 12.107 1.00 0.00 H new ATOM 0 HB THR A 65 5.019 -2.563 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.758 -1.099 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.315 -0.671 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.362 -0.177 10.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.673 0.306 9.425 1.00 0.00 H new ATOM 935 N GLY A 66 8.431 -3.099 10.598 1.00 0.00 N ATOM 936 CA GLY A 66 9.314 -4.243 10.750 1.00 0.00 C ATOM 937 C GLY A 66 8.576 -5.549 10.445 1.00 0.00 C ATOM 938 O GLY A 66 9.047 -6.629 10.798 1.00 0.00 O ATOM 0 H GLY A 66 8.576 -2.559 9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.168 -4.139 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.707 -4.272 11.766 1.00 0.00 H new ATOM 942 N LYS A 67 7.434 -5.406 9.790 1.00 0.00 N ATOM 943 CA LYS A 67 6.627 -6.561 9.432 1.00 0.00 C ATOM 944 C LYS A 67 6.489 -6.629 7.910 1.00 0.00 C ATOM 945 O LYS A 67 6.567 -7.708 7.324 1.00 0.00 O ATOM 946 CB LYS A 67 5.287 -6.528 10.170 1.00 0.00 C ATOM 947 CG LYS A 67 5.311 -7.451 11.391 1.00 0.00 C ATOM 948 CD LYS A 67 4.823 -8.855 11.025 1.00 0.00 C ATOM 949 CE LYS A 67 3.739 -9.329 11.996 1.00 0.00 C ATOM 950 NZ LYS A 67 2.419 -9.354 11.325 1.00 0.00 N ATOM 0 H LYS A 67 7.048 -4.508 9.498 1.00 0.00 H new ATOM 0 HA LYS A 67 7.117 -7.481 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.066 -5.508 10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.488 -6.833 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.324 -7.506 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.681 -7.036 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.430 -8.854 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.661 -9.551 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.984 -10.324 12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.702 -8.667 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.694 -9.678 11.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.181 -8.398 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.454 -10.004 10.514 1.00 0.00 H new ATOM 964 N LEU A 68 6.285 -5.464 7.314 1.00 0.00 N ATOM 965 CA LEU A 68 6.135 -5.379 5.870 1.00 0.00 C ATOM 966 C LEU A 68 7.439 -5.817 5.200 1.00 0.00 C ATOM 967 O LEU A 68 8.469 -5.944 5.860 1.00 0.00 O ATOM 968 CB LEU A 68 5.675 -3.979 5.462 1.00 0.00 C ATOM 969 CG LEU A 68 6.709 -3.117 4.732 1.00 0.00 C ATOM 970 CD1 LEU A 68 8.077 -3.214 5.408 1.00 0.00 C ATOM 971 CD2 LEU A 68 6.776 -3.482 3.248 1.00 0.00 C ATOM 0 H LEU A 68 6.220 -4.571 7.803 1.00 0.00 H new ATOM 0 HA LEU A 68 5.355 -6.059 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.798 -4.079 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.357 -3.447 6.359 1.00 0.00 H new ATOM 0 HG LEU A 68 6.392 -2.076 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.793 -2.593 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.999 -2.868 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.415 -4.250 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.518 -2.856 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.058 -4.530 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.800 -3.321 2.789 1.00 0.00 H new ATOM 983 N MET A 69 7.352 -6.036 3.897 1.00 0.00 N ATOM 984 CA MET A 69 8.511 -6.458 3.129 1.00 0.00 C ATOM 985 C MET A 69 8.345 -6.112 1.648 1.00 0.00 C ATOM 986 O MET A 69 7.350 -6.485 1.028 1.00 0.00 O ATOM 987 CB MET A 69 8.704 -7.968 3.282 1.00 0.00 C ATOM 988 CG MET A 69 8.793 -8.362 4.758 1.00 0.00 C ATOM 989 SD MET A 69 9.212 -10.091 4.904 1.00 0.00 S ATOM 990 CE MET A 69 9.473 -10.200 6.666 1.00 0.00 C ATOM 0 H MET A 69 6.496 -5.929 3.353 1.00 0.00 H new ATOM 0 HA MET A 69 9.386 -5.931 3.510 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.874 -8.494 2.811 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.612 -8.277 2.764 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.545 -7.753 5.261 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.842 -8.167 5.253 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.745 -11.222 6.931 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.277 -9.524 6.957 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.557 -9.921 7.187 1.00 0.00 H new ATOM 1000 N GLU A 70 9.334 -5.403 1.123 1.00 0.00 N ATOM 1001 CA GLU A 70 9.308 -5.004 -0.273 1.00 0.00 C ATOM 1002 C GLU A 70 8.927 -6.191 -1.159 1.00 0.00 C ATOM 1003 O GLU A 70 9.229 -7.338 -0.830 1.00 0.00 O ATOM 1004 CB GLU A 70 10.654 -4.412 -0.698 1.00 0.00 C ATOM 1005 CG GLU A 70 11.170 -3.417 0.343 1.00 0.00 C ATOM 1006 CD GLU A 70 12.229 -4.062 1.240 1.00 0.00 C ATOM 1007 OE1 GLU A 70 12.978 -4.911 0.712 1.00 0.00 O ATOM 1008 OE2 GLU A 70 12.264 -3.690 2.433 1.00 0.00 O ATOM 0 H GLU A 70 10.158 -5.095 1.640 1.00 0.00 H new ATOM 0 HA GLU A 70 8.551 -4.229 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.381 -5.213 -0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.548 -3.913 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.594 -2.547 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.340 -3.060 0.953 1.00 0.00 H new ATOM 1015 N GLY A 71 8.269 -5.876 -2.265 1.00 0.00 N ATOM 1016 CA GLY A 71 7.844 -6.903 -3.201 1.00 0.00 C ATOM 1017 C GLY A 71 6.521 -7.533 -2.758 1.00 0.00 C ATOM 1018 O GLY A 71 6.021 -8.453 -3.405 1.00 0.00 O ATOM 0 H GLY A 71 8.020 -4.924 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.730 -6.470 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.611 -7.673 -3.275 1.00 0.00 H new ATOM 1022 N MET A 72 5.992 -7.013 -1.661 1.00 0.00 N ATOM 1023 CA MET A 72 4.737 -7.513 -1.125 1.00 0.00 C ATOM 1024 C MET A 72 3.544 -6.876 -1.841 1.00 0.00 C ATOM 1025 O MET A 72 3.311 -5.675 -1.719 1.00 0.00 O ATOM 1026 CB MET A 72 4.661 -7.202 0.371 1.00 0.00 C ATOM 1027 CG MET A 72 5.239 -8.351 1.199 1.00 0.00 C ATOM 1028 SD MET A 72 3.934 -9.172 2.098 1.00 0.00 S ATOM 1029 CE MET A 72 4.255 -8.558 3.743 1.00 0.00 C ATOM 0 H MET A 72 6.409 -6.250 -1.128 1.00 0.00 H new ATOM 0 HA MET A 72 4.699 -8.591 -1.283 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.209 -6.284 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.624 -7.028 0.658 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.745 -9.062 0.546 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.986 -7.969 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.514 -8.961 4.433 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.251 -8.867 4.059 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.196 -7.470 3.743 1.00 0.00 H new ATOM 1039 N GLN A 73 2.819 -7.711 -2.571 1.00 0.00 N ATOM 1040 CA GLN A 73 1.655 -7.246 -3.306 1.00 0.00 C ATOM 1041 C GLN A 73 0.627 -6.644 -2.346 1.00 0.00 C ATOM 1042 O GLN A 73 -0.043 -7.370 -1.613 1.00 0.00 O ATOM 1043 CB GLN A 73 1.038 -8.377 -4.131 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.222 -7.903 -4.857 1.00 0.00 C ATOM 1045 CD GLN A 73 -1.192 -9.064 -5.087 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.815 -10.223 -5.127 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.459 -8.688 -5.235 1.00 0.00 N ATOM 0 H GLN A 73 3.015 -8.707 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 73 1.975 -6.469 -4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.765 -8.740 -4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.792 -9.215 -3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.712 -7.125 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.051 -7.458 -5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.706 -7.699 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.184 -9.388 -5.393 1.00 0.00 H new ATOM 1056 N VAL A 74 0.535 -5.322 -2.382 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.400 -4.614 -1.524 1.00 0.00 C ATOM 1058 C VAL A 74 -1.825 -4.840 -2.034 1.00 0.00 C ATOM 1059 O VAL A 74 -2.201 -4.326 -3.086 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.022 -3.134 -1.446 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.974 -2.372 -0.523 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.431 -2.963 -0.996 1.00 0.00 C ATOM 0 H VAL A 74 1.092 -4.723 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.353 -5.002 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.116 -2.711 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.682 -1.322 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.992 -2.452 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.927 -2.797 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.675 -1.902 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.562 -3.410 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.093 -3.456 -1.708 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.580 -5.611 -1.263 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.954 -5.911 -1.624 1.00 0.00 C ATOM 1074 C LEU A 75 -4.784 -4.626 -1.571 1.00 0.00 C ATOM 1075 O LEU A 75 -5.368 -4.218 -2.574 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.506 -7.036 -0.744 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.671 -8.317 -0.692 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -4.056 -9.174 0.516 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.779 -9.095 -2.005 1.00 0.00 C ATOM 0 H LEU A 75 -2.265 -6.036 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.006 -6.282 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.615 -6.656 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.505 -7.291 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.625 -8.038 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.448 -10.078 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.886 -8.609 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.109 -9.446 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.176 -10.001 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.820 -9.364 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.418 -8.475 -2.826 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.809 -4.025 -0.391 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.557 -2.795 -0.194 1.00 0.00 C ATOM 1093 C GLU A 76 -4.753 -1.816 0.664 1.00 0.00 C ATOM 1094 O GLU A 76 -3.780 -2.205 1.309 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.924 -3.078 0.432 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.701 -4.108 -0.389 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.900 -5.403 0.401 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.940 -6.204 0.431 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.007 -5.564 0.957 1.00 0.00 O ATOM 0 H GLU A 76 -4.323 -4.367 0.438 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.728 -2.338 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.793 -3.444 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.497 -2.153 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.671 -3.697 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.164 -4.321 -1.314 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.190 -0.565 0.646 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.523 0.472 1.414 1.00 0.00 C ATOM 1108 C TRP A 77 -5.592 1.427 1.948 1.00 0.00 C ATOM 1109 O TRP A 77 -6.259 2.112 1.174 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.457 1.177 0.573 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.885 2.439 1.224 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.502 3.610 1.434 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.550 2.610 1.743 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.665 4.519 2.049 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.441 3.891 2.242 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.470 1.709 1.790 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.268 4.389 2.824 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.694 2.223 2.374 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.821 3.511 2.881 1.00 0.00 C ATOM 0 H TRP A 77 -5.998 -0.246 0.111 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.988 0.041 2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.642 0.480 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.887 1.442 -0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.525 3.816 1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.902 5.475 2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.534 0.702 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.207 5.397 3.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.554 1.573 2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.755 3.833 3.317 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.722 1.442 3.266 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.699 2.302 3.911 1.00 0.00 C ATOM 1132 C ASN A 78 -8.107 1.870 3.495 1.00 0.00 C ATOM 1133 O ASN A 78 -9.021 2.692 3.439 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.509 3.761 3.495 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.711 4.534 4.548 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.522 4.091 5.669 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.255 5.709 4.126 1.00 0.00 N ATOM 0 H ASN A 78 -5.167 0.872 3.905 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.565 2.215 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.991 3.805 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.482 4.232 3.353 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.710 6.300 4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.450 6.020 3.174 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.236 0.583 3.212 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.517 0.032 2.801 1.00 0.00 C ATOM 1146 C GLY A 79 -9.618 -0.042 1.276 1.00 0.00 C ATOM 1147 O GLY A 79 -9.971 -1.083 0.724 1.00 0.00 O ATOM 0 H GLY A 79 -7.475 -0.095 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.642 -0.964 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.325 0.649 3.193 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.302 1.075 0.638 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.353 1.149 -0.812 1.00 0.00 C ATOM 1153 C ILE A 80 -8.358 0.150 -1.404 1.00 0.00 C ATOM 1154 O ILE A 80 -7.165 0.207 -1.111 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.134 2.589 -1.283 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.041 3.559 -0.523 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.312 2.703 -2.798 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.283 4.241 0.616 1.00 0.00 C ATOM 0 H ILE A 80 -9.010 1.937 1.099 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.342 0.867 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.105 2.869 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.429 4.312 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.900 3.021 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.151 3.736 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.590 2.058 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.322 2.396 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.951 4.925 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.917 3.487 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.439 4.798 0.209 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.900 -0.768 -2.250 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.072 -1.778 -2.887 1.00 0.00 C ATOM 1172 C PRO A 81 -7.242 -1.173 -4.020 1.00 0.00 C ATOM 1173 O PRO A 81 -7.708 -0.283 -4.729 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.049 -2.839 -3.367 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.412 -2.169 -3.398 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.308 -0.866 -2.621 1.00 0.00 C ATOM 0 HA PRO A 81 -7.336 -2.209 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.772 -3.206 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.052 -3.699 -2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.720 -1.977 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.167 -2.819 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.617 -0.016 -3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.950 -0.878 -1.740 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.025 -1.681 -4.155 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.125 -1.201 -5.190 1.00 0.00 C ATOM 1186 C LEU A 82 -5.044 -2.240 -6.311 1.00 0.00 C ATOM 1187 O LEU A 82 -4.040 -2.318 -7.018 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.766 -0.835 -4.591 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.801 -0.009 -3.303 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.405 0.109 -2.690 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.439 1.360 -3.548 1.00 0.00 C ATOM 0 H LEU A 82 -5.642 -2.420 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.509 -0.282 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.218 -1.756 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.199 -0.281 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.427 -0.530 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.458 0.701 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.025 -0.886 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.736 0.596 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.452 1.927 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.860 1.902 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.460 1.227 -3.906 1.00 0.00 H new ATOM 1203 N THR A 83 -6.113 -3.012 -6.437 1.00 0.00 N ATOM 1204 CA THR A 83 -6.174 -4.042 -7.460 1.00 0.00 C ATOM 1205 C THR A 83 -6.972 -3.548 -8.669 1.00 0.00 C ATOM 1206 O THR A 83 -8.058 -2.992 -8.514 1.00 0.00 O ATOM 1207 CB THR A 83 -6.758 -5.305 -6.823 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.952 -5.515 -5.666 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.518 -6.554 -7.675 1.00 0.00 C ATOM 0 H THR A 83 -6.943 -2.945 -5.848 1.00 0.00 H new ATOM 0 HA THR A 83 -5.181 -4.280 -7.841 1.00 0.00 H new ATOM 0 HB THR A 83 -7.828 -5.171 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.263 -6.314 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.952 -7.422 -7.178 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.985 -6.424 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.446 -6.707 -7.803 1.00 0.00 H new ATOM 1217 N SER A 84 -6.401 -3.768 -9.844 1.00 0.00 N ATOM 1218 CA SER A 84 -7.045 -3.351 -11.078 1.00 0.00 C ATOM 1219 C SER A 84 -7.035 -1.825 -11.184 1.00 0.00 C ATOM 1220 O SER A 84 -7.937 -1.234 -11.776 1.00 0.00 O ATOM 1221 CB SER A 84 -8.479 -3.879 -11.157 1.00 0.00 C ATOM 1222 OG SER A 84 -8.928 -4.007 -12.503 1.00 0.00 O ATOM 0 H SER A 84 -5.500 -4.229 -9.968 1.00 0.00 H new ATOM 0 HA SER A 84 -6.485 -3.771 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.536 -4.849 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.144 -3.205 -10.616 1.00 0.00 H new ATOM 0 HG SER A 84 -9.847 -4.348 -12.510 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.004 -1.230 -10.602 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.864 0.216 -10.624 1.00 0.00 C ATOM 1230 C LYS A 85 -4.647 0.594 -11.470 1.00 0.00 C ATOM 1231 O LYS A 85 -4.023 -0.269 -12.086 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.819 0.772 -9.199 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.043 0.325 -8.397 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.206 1.301 -8.583 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.989 1.476 -7.279 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.444 1.371 -7.531 1.00 0.00 N ATOM 0 H LYS A 85 -5.258 -1.723 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.734 0.675 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.910 0.433 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.778 1.861 -9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.346 -0.673 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.785 0.258 -7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.825 2.267 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.871 0.935 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.683 0.717 -6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.759 2.446 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.961 1.492 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.734 2.111 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.660 0.436 -7.932 1.00 0.00 H new ATOM 1250 N THR A 86 -4.345 1.884 -11.473 1.00 0.00 N ATOM 1251 CA THR A 86 -3.214 2.386 -12.233 1.00 0.00 C ATOM 1252 C THR A 86 -2.200 3.055 -11.301 1.00 0.00 C ATOM 1253 O THR A 86 -2.565 3.567 -10.245 1.00 0.00 O ATOM 1254 CB THR A 86 -3.750 3.323 -13.318 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.511 4.289 -12.597 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.777 2.640 -14.224 1.00 0.00 C ATOM 0 H THR A 86 -4.865 2.597 -10.961 1.00 0.00 H new ATOM 0 HA THR A 86 -2.675 1.574 -12.721 1.00 0.00 H new ATOM 0 HB THR A 86 -2.921 3.692 -13.922 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.584 5.110 -13.127 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.126 3.347 -14.976 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.315 1.784 -14.717 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.622 2.301 -13.625 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.945 3.027 -11.727 1.00 0.00 N ATOM 1265 CA TYR A 87 0.124 3.623 -10.945 1.00 0.00 C ATOM 1266 C TYR A 87 -0.347 4.909 -10.263 1.00 0.00 C ATOM 1267 O TYR A 87 -0.279 5.028 -9.040 1.00 0.00 O ATOM 1268 CB TYR A 87 1.234 3.967 -11.941 1.00 0.00 C ATOM 1269 CG TYR A 87 2.494 4.545 -11.293 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.479 5.825 -10.778 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.644 3.786 -11.224 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.666 6.369 -10.168 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.830 4.331 -10.614 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.783 5.595 -10.116 1.00 0.00 C ATOM 1275 OH TYR A 87 5.902 6.109 -9.541 1.00 0.00 O ATOM 0 H TYR A 87 -0.645 2.601 -12.604 1.00 0.00 H new ATOM 0 HA TYR A 87 0.458 2.937 -10.166 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.503 3.068 -12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.849 4.684 -12.665 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.578 6.419 -10.832 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.655 2.784 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.668 7.369 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.737 3.748 -10.554 1.00 0.00 H new ATOM 0 HH TYR A 87 6.621 5.444 -9.574 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.816 5.839 -11.082 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.299 7.111 -10.573 1.00 0.00 C ATOM 1287 C GLU A 88 -2.342 6.883 -9.478 1.00 0.00 C ATOM 1288 O GLU A 88 -2.104 7.195 -8.312 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.867 7.974 -11.701 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.814 8.952 -12.227 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.388 10.365 -12.340 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.911 10.851 -11.314 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.291 10.930 -13.452 1.00 0.00 O ATOM 0 H GLU A 88 -0.872 5.737 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.457 7.649 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.213 7.335 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.734 8.527 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.048 8.958 -11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.459 8.620 -13.203 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.478 6.339 -9.891 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.560 6.066 -8.961 1.00 0.00 C ATOM 1302 C GLU A 89 -4.000 5.555 -7.632 1.00 0.00 C ATOM 1303 O GLU A 89 -4.050 6.256 -6.622 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.555 5.068 -9.556 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.247 5.653 -10.788 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.171 4.622 -11.440 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -6.709 3.473 -11.609 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.318 5.006 -11.755 1.00 0.00 O ATOM 0 H GLU A 89 -3.672 6.080 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.096 6.996 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.035 4.149 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.301 4.802 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.823 6.533 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.498 5.982 -11.508 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.478 4.337 -7.675 1.00 0.00 N ATOM 1316 CA VAL A 90 -2.909 3.724 -6.487 1.00 0.00 C ATOM 1317 C VAL A 90 -2.155 4.785 -5.682 1.00 0.00 C ATOM 1318 O VAL A 90 -2.480 5.038 -4.523 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.030 2.536 -6.881 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.486 1.822 -5.642 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.795 1.564 -7.782 1.00 0.00 C ATOM 0 H VAL A 90 -3.437 3.759 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.697 3.329 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.181 2.920 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.864 0.981 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.889 2.519 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.317 1.457 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.148 0.728 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.671 1.190 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.112 2.080 -8.688 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.162 5.377 -6.330 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.359 6.404 -5.689 1.00 0.00 C ATOM 1333 C GLN A 91 -1.260 7.494 -5.103 1.00 0.00 C ATOM 1334 O GLN A 91 -1.071 7.913 -3.962 1.00 0.00 O ATOM 1335 CB GLN A 91 0.653 7.000 -6.670 1.00 0.00 C ATOM 1336 CG GLN A 91 1.995 7.259 -5.982 1.00 0.00 C ATOM 1337 CD GLN A 91 2.389 8.734 -6.086 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.558 9.627 -6.077 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.699 8.939 -6.185 1.00 0.00 N ATOM 0 H GLN A 91 -0.896 5.165 -7.292 1.00 0.00 H new ATOM 0 HA GLN A 91 0.200 5.944 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.796 6.319 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.263 7.933 -7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.932 6.969 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.767 6.640 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.341 8.146 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.062 9.889 -6.259 1.00 0.00 H new ATOM 1348 N SER A 92 -2.219 7.921 -5.911 1.00 0.00 N ATOM 1349 CA SER A 92 -3.150 8.954 -5.487 1.00 0.00 C ATOM 1350 C SER A 92 -3.927 8.484 -4.255 1.00 0.00 C ATOM 1351 O SER A 92 -4.208 9.275 -3.355 1.00 0.00 O ATOM 1352 CB SER A 92 -4.115 9.323 -6.614 1.00 0.00 C ATOM 1353 OG SER A 92 -3.708 10.503 -7.301 1.00 0.00 O ATOM 0 H SER A 92 -2.372 7.571 -6.857 1.00 0.00 H new ATOM 0 HA SER A 92 -2.578 9.845 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.180 8.496 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.114 9.469 -6.203 1.00 0.00 H new ATOM 0 HG SER A 92 -4.349 10.704 -8.014 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.252 7.200 -4.255 1.00 0.00 N ATOM 1360 CA ILE A 93 -4.991 6.616 -3.149 1.00 0.00 C ATOM 1361 C ILE A 93 -4.100 6.583 -1.905 1.00 0.00 C ATOM 1362 O ILE A 93 -4.429 7.184 -0.884 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.550 5.247 -3.541 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.620 5.382 -4.626 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -6.070 4.494 -2.315 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.880 4.038 -5.311 1.00 0.00 C ATOM 0 H ILE A 93 -4.017 6.548 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.857 7.230 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.737 4.655 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.545 5.754 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.302 6.116 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.462 3.524 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.256 4.348 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.864 5.072 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.645 4.162 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.959 3.680 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.222 3.313 -4.572 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.987 5.874 -2.033 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.046 5.755 -0.933 1.00 0.00 C ATOM 1380 C ILE A 94 -1.599 7.152 -0.496 1.00 0.00 C ATOM 1381 O ILE A 94 -1.521 7.437 0.698 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.888 4.831 -1.317 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -0.164 5.348 -2.563 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -1.371 3.390 -1.491 1.00 0.00 C ATOM 1385 CD1 ILE A 94 0.572 4.213 -3.279 1.00 0.00 C ATOM 0 H ILE A 94 -2.717 5.377 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.524 5.289 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.165 4.832 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.883 5.806 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.546 6.125 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.529 2.754 -1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.805 3.036 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.124 3.351 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.078 4.607 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.307 3.774 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.144 3.449 -3.582 1.00 0.00 H new ATOM 1397 N SER A 95 -1.319 7.986 -1.486 1.00 0.00 N ATOM 1398 CA SER A 95 -0.882 9.346 -1.219 1.00 0.00 C ATOM 1399 C SER A 95 -2.036 10.159 -0.631 1.00 0.00 C ATOM 1400 O SER A 95 -3.119 9.626 -0.396 1.00 0.00 O ATOM 1401 CB SER A 95 -0.355 10.015 -2.491 1.00 0.00 C ATOM 1402 OG SER A 95 0.815 9.370 -2.986 1.00 0.00 O ATOM 0 H SER A 95 -1.386 7.746 -2.475 1.00 0.00 H new ATOM 0 HA SER A 95 -0.067 9.308 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.130 9.999 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.132 11.062 -2.285 1.00 0.00 H new ATOM 0 HG SER A 95 0.557 8.594 -3.527 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.764 11.437 -0.408 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.766 12.330 0.148 1.00 0.00 C ATOM 1410 C GLN A 96 -3.546 11.624 1.259 1.00 0.00 C ATOM 1411 O GLN A 96 -4.557 10.974 0.997 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.708 12.844 -0.942 1.00 0.00 C ATOM 1413 CG GLN A 96 -3.933 14.352 -0.806 1.00 0.00 C ATOM 1414 CD GLN A 96 -4.863 14.868 -1.905 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.439 14.115 -2.673 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -4.979 16.193 -1.936 1.00 0.00 N ATOM 0 H GLN A 96 -0.864 11.875 -0.603 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.258 13.193 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.289 12.622 -1.924 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.663 12.323 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.362 14.573 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.977 14.872 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.469 16.765 -1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.578 16.636 -2.632 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.047 11.775 2.477 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.684 11.161 3.629 1.00 0.00 C ATOM 1427 C GLN A 97 -3.411 11.985 4.890 1.00 0.00 C ATOM 1428 O GLN A 97 -2.303 12.484 5.080 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.218 9.715 3.808 1.00 0.00 C ATOM 1430 CG GLN A 97 -1.710 9.652 4.059 1.00 0.00 C ATOM 1431 CD GLN A 97 -1.049 8.602 3.164 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -1.434 7.445 3.131 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -0.033 9.069 2.443 1.00 0.00 N ATOM 0 H GLN A 97 -2.208 12.314 2.691 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.760 11.143 3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.749 9.259 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.467 9.136 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.265 10.629 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.522 9.414 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.238 10.050 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.475 8.446 1.815 1.00 0.00 H new ATOM 1442 N SER A 98 -4.439 12.101 5.717 1.00 0.00 N ATOM 1443 CA SER A 98 -4.323 12.856 6.953 1.00 0.00 C ATOM 1444 C SER A 98 -3.040 12.465 7.687 1.00 0.00 C ATOM 1445 O SER A 98 -2.169 13.304 7.913 1.00 0.00 O ATOM 1446 CB SER A 98 -5.540 12.629 7.853 1.00 0.00 C ATOM 1447 OG SER A 98 -6.549 13.611 7.645 1.00 0.00 O ATOM 0 H SER A 98 -5.356 11.685 5.556 1.00 0.00 H new ATOM 0 HA SER A 98 -4.282 13.916 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.953 11.639 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.227 12.647 8.897 1.00 0.00 H new ATOM 0 HG SER A 98 -7.309 13.430 8.237 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.961 11.190 8.038 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.798 10.677 8.741 1.00 0.00 C ATOM 1455 C GLY A 99 -1.682 9.160 8.577 1.00 0.00 C ATOM 1456 O GLY A 99 -1.808 8.640 7.469 1.00 0.00 O ATOM 0 H GLY A 99 -3.684 10.496 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.897 11.157 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.869 10.927 9.799 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.445 8.492 9.697 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.311 7.045 9.691 1.00 0.00 C ATOM 1462 C GLU A 100 -2.321 6.422 8.725 1.00 0.00 C ATOM 1463 O GLU A 100 -3.432 6.927 8.572 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.478 6.474 11.101 1.00 0.00 C ATOM 1465 CG GLU A 100 -2.903 6.686 11.614 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.192 8.173 11.835 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.661 8.711 12.830 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -3.935 8.736 11.004 1.00 0.00 O ATOM 0 H GLU A 100 -1.342 8.926 10.614 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.307 6.794 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.244 5.409 11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.770 6.953 11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.616 6.276 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.041 6.142 12.549 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.898 5.336 8.096 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.750 4.639 7.149 1.00 0.00 C ATOM 1477 C ALA A 101 -2.580 3.129 7.330 1.00 0.00 C ATOM 1478 O ALA A 101 -1.543 2.671 7.807 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.415 5.097 5.728 1.00 0.00 C ATOM 0 H ALA A 101 -0.975 4.921 8.224 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.798 4.876 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.054 4.574 5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.581 6.171 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.371 4.873 5.510 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.614 2.398 6.939 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.592 0.950 7.053 1.00 0.00 C ATOM 1487 C GLU A 102 -3.216 0.318 5.711 1.00 0.00 C ATOM 1488 O GLU A 102 -3.759 0.690 4.672 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.937 0.419 7.551 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.811 -0.151 8.966 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.983 0.296 9.843 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.470 1.423 9.608 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.364 -0.499 10.729 1.00 0.00 O ATOM 0 H GLU A 102 -4.472 2.782 6.543 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.835 0.674 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.675 1.221 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.300 -0.355 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.779 -1.240 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.872 0.177 9.412 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.289 -0.625 5.777 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.833 -1.312 4.581 1.00 0.00 C ATOM 1502 C ILE A 103 -2.010 -2.821 4.765 1.00 0.00 C ATOM 1503 O ILE A 103 -1.606 -3.377 5.785 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.401 -0.899 4.238 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.130 -1.698 3.045 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.512 -1.018 5.459 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.527 -1.220 2.643 1.00 0.00 C ATOM 0 H ILE A 103 -1.841 -0.930 6.641 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.438 -1.022 3.722 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.410 0.151 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.163 -2.758 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.551 -1.593 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.524 -0.718 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.143 -0.370 6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.521 -2.051 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.881 -1.804 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.486 -0.166 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.211 -1.349 3.482 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.615 -3.441 3.762 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.851 -4.874 3.801 1.00 0.00 C ATOM 1521 C CYS A 104 -1.867 -5.548 2.844 1.00 0.00 C ATOM 1522 O CYS A 104 -1.952 -5.367 1.630 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.302 -5.218 3.463 1.00 0.00 C ATOM 1524 SG CYS A 104 -4.482 -7.025 3.241 1.00 0.00 S ATOM 0 H CYS A 104 -2.949 -2.977 2.917 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.685 -5.245 4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.961 -4.874 4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.605 -4.700 2.553 1.00 0.00 H new ATOM 0 HG CYS A 104 -5.719 -7.306 2.956 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.954 -6.312 3.425 1.00 0.00 N ATOM 1531 CA VAL A 105 0.046 -7.015 2.638 1.00 0.00 C ATOM 1532 C VAL A 105 -0.225 -8.519 2.704 1.00 0.00 C ATOM 1533 O VAL A 105 -0.896 -8.994 3.620 1.00 0.00 O ATOM 1534 CB VAL A 105 1.449 -6.639 3.119 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.881 -5.287 2.546 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.522 -6.635 4.647 1.00 0.00 C ATOM 0 H VAL A 105 -0.885 -6.460 4.432 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.015 -6.719 1.591 1.00 0.00 H new ATOM 0 HB VAL A 105 2.143 -7.396 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.882 -5.043 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.887 -5.338 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.182 -4.515 2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.530 -6.365 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.811 -5.910 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.277 -7.627 5.026 1.00 0.00 H new ATOM 1546 N ARG A 106 0.309 -9.228 1.719 1.00 0.00 N ATOM 1547 CA ARG A 106 0.134 -10.669 1.654 1.00 0.00 C ATOM 1548 C ARG A 106 1.455 -11.379 1.952 1.00 0.00 C ATOM 1549 O ARG A 106 2.392 -11.314 1.157 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.369 -11.100 0.275 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.693 -12.594 0.252 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.903 -13.088 -1.181 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.896 -14.568 -1.214 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.458 -15.301 -2.183 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.077 -14.697 -3.207 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -1.402 -16.639 -2.129 1.00 0.00 N ATOM 0 H ARG A 106 0.863 -8.831 0.960 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.608 -10.947 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.259 -10.527 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.387 -10.877 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.119 -13.153 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.590 -12.784 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.850 -12.712 -1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.117 -12.698 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.434 -15.061 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.120 -13.679 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.505 -15.256 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.931 -17.099 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.830 -17.198 -2.867 1.00 0.00 H new ATOM 1570 N LEU A 107 1.489 -12.040 3.099 1.00 0.00 N ATOM 1571 CA LEU A 107 2.680 -12.762 3.513 1.00 0.00 C ATOM 1572 C LEU A 107 3.296 -13.461 2.298 1.00 0.00 C ATOM 1573 O LEU A 107 4.446 -13.205 1.947 1.00 0.00 O ATOM 1574 CB LEU A 107 2.359 -13.710 4.669 1.00 0.00 C ATOM 1575 CG LEU A 107 1.452 -13.147 5.765 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.389 -14.094 6.965 1.00 0.00 C ATOM 1577 CD2 LEU A 107 1.889 -11.737 6.169 1.00 0.00 C ATOM 0 H LEU A 107 0.710 -12.091 3.756 1.00 0.00 H new ATOM 0 HA LEU A 107 3.429 -12.070 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.889 -14.604 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.297 -14.024 5.127 1.00 0.00 H new ATOM 0 HG LEU A 107 0.441 -13.068 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.738 -13.670 7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.994 -15.059 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.390 -14.229 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.228 -11.361 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.912 -11.767 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.839 -11.078 5.302 1.00 0.00 H new ATOM 1589 N ASP A 108 2.500 -14.328 1.689 1.00 0.00 N ATOM 1590 CA ASP A 108 2.952 -15.066 0.521 1.00 0.00 C ATOM 1591 C ASP A 108 2.791 -14.190 -0.723 1.00 0.00 C ATOM 1592 O ASP A 108 1.976 -13.268 -0.737 1.00 0.00 O ATOM 1593 CB ASP A 108 2.122 -16.335 0.317 1.00 0.00 C ATOM 1594 CG ASP A 108 2.917 -17.559 -0.143 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.066 -17.700 0.330 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.357 -18.326 -0.956 1.00 0.00 O ATOM 0 H ASP A 108 1.545 -14.536 1.982 1.00 0.00 H new ATOM 0 HA ASP A 108 3.996 -15.339 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.620 -16.577 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.344 -16.128 -0.418 1.00 0.00 H new ATOM 1601 N LEU A 109 3.579 -14.508 -1.738 1.00 0.00 N ATOM 1602 CA LEU A 109 3.534 -13.763 -2.984 1.00 0.00 C ATOM 1603 C LEU A 109 4.480 -12.564 -2.890 1.00 0.00 C ATOM 1604 O LEU A 109 4.306 -11.696 -2.037 1.00 0.00 O ATOM 1605 CB LEU A 109 2.093 -13.382 -3.329 1.00 0.00 C ATOM 1606 CG LEU A 109 1.759 -13.307 -4.821 1.00 0.00 C ATOM 1607 CD1 LEU A 109 0.487 -14.096 -5.138 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.661 -11.853 -5.287 1.00 0.00 C ATOM 0 H LEU A 109 4.254 -15.273 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 109 3.883 -14.382 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.425 -14.106 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.876 -12.413 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 109 2.573 -13.771 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.272 -14.026 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.629 -15.141 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.348 -13.683 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.423 -11.827 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.877 -11.343 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.613 -11.351 -5.116 1.00 0.00 H new ATOM 1620 N ASN A 110 5.462 -12.554 -3.780 1.00 0.00 N ATOM 1621 CA ASN A 110 6.436 -11.476 -3.808 1.00 0.00 C ATOM 1622 C ASN A 110 6.728 -11.097 -5.261 1.00 0.00 C ATOM 1623 O ASN A 110 6.887 -11.969 -6.115 1.00 0.00 O ATOM 1624 CB ASN A 110 7.752 -11.905 -3.158 1.00 0.00 C ATOM 1625 CG ASN A 110 7.846 -11.390 -1.720 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.984 -10.204 -1.466 1.00 0.00 O ATOM 1627 ND2 ASN A 110 7.766 -12.343 -0.796 1.00 0.00 N ATOM 0 H ASN A 110 5.604 -13.275 -4.487 1.00 0.00 H new ATOM 0 HA ASN A 110 6.021 -10.632 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.828 -12.992 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.591 -11.524 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.820 -12.100 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.651 -13.317 -1.076 1.00 0.00 H new ATOM 1634 N MET A 111 6.792 -9.795 -5.499 1.00 0.00 N ATOM 1635 CA MET A 111 7.063 -9.290 -6.834 1.00 0.00 C ATOM 1636 C MET A 111 8.567 -9.234 -7.104 1.00 0.00 C ATOM 1637 O MET A 111 9.043 -9.766 -8.106 1.00 0.00 O ATOM 1638 CB MET A 111 6.465 -7.889 -6.981 1.00 0.00 C ATOM 1639 CG MET A 111 4.963 -7.900 -6.688 1.00 0.00 C ATOM 1640 SD MET A 111 4.081 -7.058 -7.991 1.00 0.00 S ATOM 1641 CE MET A 111 2.405 -7.256 -7.409 1.00 0.00 C ATOM 0 H MET A 111 6.661 -9.074 -4.789 1.00 0.00 H new ATOM 0 HA MET A 111 6.608 -9.967 -7.557 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.967 -7.202 -6.300 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.639 -7.520 -7.992 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.608 -8.927 -6.602 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.767 -7.414 -5.732 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.715 -7.152 -8.246 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.289 -8.244 -6.963 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.187 -6.493 -6.662 1.00 0.00 H new