USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 471 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 198 CYS SG : rot 115:sc= 0.259 USER MOD Set 1.2: A 218 CYS SG : rot 164:sc= -1.1 USER MOD Single : A 149 SER OG : rot 120:sc= -3.78! USER MOD Single : A 155 GLN : amide:sc= -1.57 K(o=-1.6,f=-11!) USER MOD Single : A 164 TYR OH : rot -166:sc= -2.47! USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot -150:sc= 0 USER MOD Single : A 186 THR OG1 : rot 36:sc= 0.23 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 193 ASN : amide:sc= -5.39! C(o=-5.4!,f=-6.6!) USER MOD Single : A 195 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5!) USER MOD Single : A 199 LYS NZ :NH3+ -114:sc= -0.0537 (180deg=-0.437) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.475! USER MOD Single : A 214 MET CE :methyl -159:sc= -5.09! (180deg=-8.67!) USER MOD Single : A 215 MET CE :methyl 169:sc=-0.00352 (180deg=-0.188) USER MOD Single : A 216 THR OG1 : rot 96:sc= 0.0285 USER MOD Single : A 219 GLN : amide:sc=-0.00546 K(o=-0.0055,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.560 5.566 6.559 1.00 0.00 N ATOM 16 CA SER A 149 -12.260 5.783 7.173 1.00 0.00 C ATOM 17 C SER A 149 -11.169 5.104 6.341 1.00 0.00 C ATOM 18 O SER A 149 -11.458 4.221 5.536 1.00 0.00 O ATOM 19 CB SER A 149 -12.235 5.258 8.609 1.00 0.00 C ATOM 20 OG SER A 149 -11.176 5.836 9.370 1.00 0.00 O ATOM 0 HA SER A 149 -12.071 6.856 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.188 5.475 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.123 4.174 8.597 1.00 0.00 H new ATOM 0 HG SER A 149 -11.550 6.317 10.137 1.00 0.00 H new ATOM 26 N ILE A 150 -9.939 5.542 6.566 1.00 0.00 N ATOM 27 CA ILE A 150 -8.804 4.987 5.849 1.00 0.00 C ATOM 28 C ILE A 150 -8.251 3.790 6.624 1.00 0.00 C ATOM 29 O ILE A 150 -7.456 3.016 6.092 1.00 0.00 O ATOM 30 CB ILE A 150 -7.764 6.075 5.570 1.00 0.00 C ATOM 31 CG1 ILE A 150 -6.399 5.459 5.255 1.00 0.00 C ATOM 32 CG2 ILE A 150 -7.689 7.072 6.728 1.00 0.00 C ATOM 33 CD1 ILE A 150 -5.605 6.346 4.294 1.00 0.00 C ATOM 0 H ILE A 150 -9.704 6.275 7.235 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.114 4.617 4.872 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.079 6.631 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.836 5.322 6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.535 4.471 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.943 7.834 6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.661 7.545 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -7.409 6.548 7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.639 5.885 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.159 6.461 3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.450 7.325 4.747 1.00 0.00 H new ATOM 45 N LEU A 151 -8.692 3.677 7.868 1.00 0.00 N ATOM 46 CA LEU A 151 -8.251 2.587 8.722 1.00 0.00 C ATOM 47 C LEU A 151 -8.813 1.268 8.189 1.00 0.00 C ATOM 48 O LEU A 151 -8.309 0.195 8.519 1.00 0.00 O ATOM 49 CB LEU A 151 -8.618 2.867 10.180 1.00 0.00 C ATOM 50 CG LEU A 151 -10.106 3.073 10.470 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.721 1.817 11.095 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.330 4.312 11.339 1.00 0.00 C ATOM 0 H LEU A 151 -9.350 4.322 8.305 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.164 2.503 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.261 2.037 10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.078 3.756 10.505 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.617 3.247 9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.779 1.989 11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.611 0.978 10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.211 1.589 12.031 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.396 4.435 11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.803 4.192 12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.950 5.193 10.821 1.00 0.00 H new ATOM 64 N ASP A 152 -9.851 1.389 7.374 1.00 0.00 N ATOM 65 CA ASP A 152 -10.487 0.220 6.793 1.00 0.00 C ATOM 66 C ASP A 152 -9.799 -0.126 5.471 1.00 0.00 C ATOM 67 O ASP A 152 -9.971 -1.225 4.946 1.00 0.00 O ATOM 68 CB ASP A 152 -11.966 0.485 6.501 1.00 0.00 C ATOM 69 CG ASP A 152 -12.835 -0.768 6.372 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.807 -1.460 5.344 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.573 -1.027 7.396 1.00 0.00 O ATOM 0 H ASP A 152 -10.267 2.280 7.103 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.401 -0.600 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.372 1.110 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.041 1.058 5.577 1.00 0.00 H new ATOM 77 N ILE A 153 -9.033 0.833 4.971 1.00 0.00 N ATOM 78 CA ILE A 153 -8.318 0.643 3.721 1.00 0.00 C ATOM 79 C ILE A 153 -7.226 -0.409 3.917 1.00 0.00 C ATOM 80 O ILE A 153 -6.109 -0.085 4.317 1.00 0.00 O ATOM 81 CB ILE A 153 -7.795 1.982 3.195 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.937 2.845 2.658 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.696 1.769 2.150 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.216 2.632 3.471 1.00 0.00 C ATOM 0 H ILE A 153 -8.892 1.743 5.409 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.990 0.264 2.951 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.347 2.524 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.651 3.896 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.122 2.600 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.342 2.736 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.867 1.222 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.096 1.197 1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.012 3.258 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.513 1.585 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -10.035 2.901 4.512 1.00 0.00 H new ATOM 96 N ARG A 154 -7.586 -1.652 3.626 1.00 0.00 N ATOM 97 CA ARG A 154 -6.652 -2.753 3.765 1.00 0.00 C ATOM 98 C ARG A 154 -6.280 -3.312 2.389 1.00 0.00 C ATOM 99 O ARG A 154 -7.041 -3.175 1.435 1.00 0.00 O ATOM 100 CB ARG A 154 -7.245 -3.876 4.619 1.00 0.00 C ATOM 101 CG ARG A 154 -6.203 -4.439 5.588 1.00 0.00 C ATOM 102 CD ARG A 154 -6.762 -5.635 6.360 1.00 0.00 C ATOM 103 NE ARG A 154 -5.685 -6.614 6.627 1.00 0.00 N ATOM 104 CZ ARG A 154 -4.649 -6.388 7.464 1.00 0.00 C ATOM 105 NH1 ARG A 154 -4.542 -5.215 8.122 1.00 0.00 N ATOM 106 NH2 ARG A 154 -3.742 -7.334 7.628 1.00 0.00 N ATOM 0 H ARG A 154 -8.513 -1.919 3.294 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.760 -2.368 4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -8.101 -3.498 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.613 -4.673 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.314 -4.742 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.895 -3.662 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.200 -5.299 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.560 -6.107 5.787 1.00 0.00 H new ATOM 0 HE ARG A 154 -5.727 -7.515 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -5.247 -4.490 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -3.756 -5.053 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -3.831 -8.218 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -2.953 -7.181 8.256 1.00 0.00 H new ATOM 120 N GLN A 155 -5.110 -3.932 2.335 1.00 0.00 N ATOM 121 CA GLN A 155 -4.629 -4.511 1.092 1.00 0.00 C ATOM 122 C GLN A 155 -4.864 -6.024 1.085 1.00 0.00 C ATOM 123 O GLN A 155 -4.108 -6.775 1.700 1.00 0.00 O ATOM 124 CB GLN A 155 -3.151 -4.186 0.871 1.00 0.00 C ATOM 125 CG GLN A 155 -2.617 -4.877 -0.385 1.00 0.00 C ATOM 126 CD GLN A 155 -1.243 -5.499 -0.127 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.611 -5.271 0.891 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.817 -6.293 -1.106 1.00 0.00 N ATOM 0 H GLN A 155 -4.482 -4.046 3.131 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.191 -4.071 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.022 -3.108 0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.572 -4.503 1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.316 -5.650 -0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.546 -4.156 -1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.397 -6.441 -1.932 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.090 -6.754 -1.031 1.00 0.00 H new ATOM 196 N PRO A 160 -5.631 -5.983 -5.852 1.00 0.00 N ATOM 197 CA PRO A 160 -4.369 -5.417 -6.293 1.00 0.00 C ATOM 198 C PRO A 160 -3.985 -4.204 -5.442 1.00 0.00 C ATOM 199 O PRO A 160 -4.832 -3.617 -4.771 1.00 0.00 O ATOM 200 CB PRO A 160 -4.583 -5.069 -7.758 1.00 0.00 C ATOM 201 CG PRO A 160 -6.089 -5.023 -7.958 1.00 0.00 C ATOM 202 CD PRO A 160 -6.740 -5.671 -6.747 1.00 0.00 C ATOM 0 HA PRO A 160 -3.536 -6.110 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.127 -4.110 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.125 -5.815 -8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.428 -3.993 -8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.369 -5.550 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.454 -4.997 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.288 -6.571 -7.026 1.00 0.00 H new ATOM 210 N PHE A 161 -2.705 -3.864 -5.496 1.00 0.00 N ATOM 211 CA PHE A 161 -2.198 -2.733 -4.738 1.00 0.00 C ATOM 212 C PHE A 161 -2.779 -1.417 -5.262 1.00 0.00 C ATOM 213 O PHE A 161 -2.980 -0.475 -4.497 1.00 0.00 O ATOM 214 CB PHE A 161 -0.680 -2.715 -4.924 1.00 0.00 C ATOM 215 CG PHE A 161 0.054 -1.782 -3.958 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.092 -1.942 -2.615 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.852 -0.793 -4.443 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.588 -1.075 -1.719 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.532 0.073 -3.546 1.00 0.00 C ATOM 220 CZ PHE A 161 1.387 -0.086 -2.204 1.00 0.00 C ATOM 0 H PHE A 161 -2.004 -4.352 -6.053 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.479 -2.832 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.297 -3.727 -4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.453 -2.414 -5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.725 -2.728 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.968 -0.666 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.471 -1.201 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.165 0.859 -3.931 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.906 0.572 -1.523 1.00 0.00 H new ATOM 230 N ARG A 162 -3.032 -1.396 -6.562 1.00 0.00 N ATOM 231 CA ARG A 162 -3.586 -0.212 -7.197 1.00 0.00 C ATOM 232 C ARG A 162 -4.934 0.145 -6.570 1.00 0.00 C ATOM 233 O ARG A 162 -5.189 1.308 -6.258 1.00 0.00 O ATOM 234 CB ARG A 162 -3.774 -0.430 -8.700 1.00 0.00 C ATOM 235 CG ARG A 162 -3.413 0.832 -9.486 1.00 0.00 C ATOM 236 CD ARG A 162 -3.456 0.571 -10.994 1.00 0.00 C ATOM 237 NE ARG A 162 -2.174 0.976 -11.614 1.00 0.00 N ATOM 238 CZ ARG A 162 -1.892 0.833 -12.927 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.799 0.294 -13.769 1.00 0.00 N ATOM 240 NH2 ARG A 162 -0.716 1.230 -13.375 1.00 0.00 N ATOM 0 H ARG A 162 -2.864 -2.180 -7.193 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.882 0.606 -7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.150 -1.260 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.808 -0.707 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -4.107 1.634 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.417 1.170 -9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.643 -0.486 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.279 1.126 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.460 1.388 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.706 -0.009 -13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.577 0.190 -14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.037 1.637 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -0.486 1.129 -14.364 1.00 0.00 H new ATOM 254 N ASP A 163 -5.762 -0.876 -6.400 1.00 0.00 N ATOM 255 CA ASP A 163 -7.077 -0.683 -5.814 1.00 0.00 C ATOM 256 C ASP A 163 -6.924 -0.290 -4.343 1.00 0.00 C ATOM 257 O ASP A 163 -7.704 0.507 -3.825 1.00 0.00 O ATOM 258 CB ASP A 163 -7.902 -1.970 -5.876 1.00 0.00 C ATOM 259 CG ASP A 163 -8.405 -2.351 -7.270 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.748 -2.073 -8.284 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.539 -2.964 -7.292 1.00 0.00 O ATOM 0 H ASP A 163 -5.547 -1.839 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.585 0.099 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.298 -2.790 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.761 -1.865 -5.213 1.00 0.00 H new ATOM 267 N TYR A 164 -5.912 -0.868 -3.713 1.00 0.00 N ATOM 268 CA TYR A 164 -5.646 -0.589 -2.312 1.00 0.00 C ATOM 269 C TYR A 164 -5.200 0.861 -2.117 1.00 0.00 C ATOM 270 O TYR A 164 -5.601 1.513 -1.154 1.00 0.00 O ATOM 271 CB TYR A 164 -4.502 -1.521 -1.906 1.00 0.00 C ATOM 272 CG TYR A 164 -3.993 -1.296 -0.481 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.866 -1.370 0.585 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.658 -1.019 -0.262 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.388 -1.159 1.926 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.179 -0.807 1.080 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.066 -0.888 2.107 1.00 0.00 C ATOM 278 OH TYR A 164 -2.615 -0.688 3.373 1.00 0.00 O ATOM 0 H TYR A 164 -5.267 -1.528 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.543 -0.743 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.837 -2.554 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.674 -1.388 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.910 -1.587 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.974 -0.961 -1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.062 -1.214 2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.138 -0.588 1.266 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.720 -0.289 3.342 1.00 0.00 H new ATOM 288 N VAL A 165 -4.376 1.323 -3.046 1.00 0.00 N ATOM 289 CA VAL A 165 -3.871 2.684 -2.989 1.00 0.00 C ATOM 290 C VAL A 165 -5.008 3.660 -3.307 1.00 0.00 C ATOM 291 O VAL A 165 -5.133 4.703 -2.667 1.00 0.00 O ATOM 292 CB VAL A 165 -2.674 2.839 -3.927 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.436 4.308 -4.278 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.417 2.211 -3.320 1.00 0.00 C ATOM 0 H VAL A 165 -4.045 0.779 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.513 2.915 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.903 2.308 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.579 4.388 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.320 4.712 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.240 4.873 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.580 2.335 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.186 2.701 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.589 1.149 -3.145 1.00 0.00 H new ATOM 304 N ASP A 166 -5.809 3.283 -4.294 1.00 0.00 N ATOM 305 CA ASP A 166 -6.930 4.112 -4.704 1.00 0.00 C ATOM 306 C ASP A 166 -7.854 4.339 -3.507 1.00 0.00 C ATOM 307 O ASP A 166 -8.321 5.454 -3.282 1.00 0.00 O ATOM 308 CB ASP A 166 -7.742 3.431 -5.807 1.00 0.00 C ATOM 309 CG ASP A 166 -8.583 4.375 -6.668 1.00 0.00 C ATOM 310 OD1 ASP A 166 -9.743 4.081 -6.993 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.995 5.471 -7.012 1.00 0.00 O ATOM 0 H ASP A 166 -5.704 2.416 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.534 5.056 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.058 2.884 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.403 2.695 -5.349 1.00 0.00 H new ATOM 317 N ARG A 167 -8.093 3.262 -2.772 1.00 0.00 N ATOM 318 CA ARG A 167 -8.954 3.331 -1.603 1.00 0.00 C ATOM 319 C ARG A 167 -8.318 4.209 -0.524 1.00 0.00 C ATOM 320 O ARG A 167 -8.985 5.059 0.064 1.00 0.00 O ATOM 321 CB ARG A 167 -9.213 1.936 -1.028 1.00 0.00 C ATOM 322 CG ARG A 167 -10.689 1.758 -0.666 1.00 0.00 C ATOM 323 CD ARG A 167 -11.339 0.676 -1.531 1.00 0.00 C ATOM 324 NE ARG A 167 -11.031 -0.663 -0.982 1.00 0.00 N ATOM 325 CZ ARG A 167 -11.725 -1.249 0.016 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.774 -0.619 0.584 1.00 0.00 N ATOM 327 NH2 ARG A 167 -11.363 -2.450 0.428 1.00 0.00 N ATOM 0 H ARG A 167 -7.706 2.338 -2.963 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.903 3.766 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.919 1.179 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.597 1.784 -0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.779 1.490 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.217 2.702 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -12.418 0.825 -1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.975 0.751 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 167 -10.245 -1.175 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.049 0.308 0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.293 -1.070 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -10.570 -2.921 -0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -11.877 -2.907 1.181 1.00 0.00 H new ATOM 341 N PHE A 168 -7.032 3.974 -0.297 1.00 0.00 N ATOM 342 CA PHE A 168 -6.298 4.734 0.701 1.00 0.00 C ATOM 343 C PHE A 168 -6.344 6.232 0.393 1.00 0.00 C ATOM 344 O PHE A 168 -6.607 7.044 1.278 1.00 0.00 O ATOM 345 CB PHE A 168 -4.845 4.258 0.645 1.00 0.00 C ATOM 346 CG PHE A 168 -3.957 4.840 1.747 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.322 6.027 1.553 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.802 4.168 2.919 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.498 6.566 2.575 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.978 4.708 3.942 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.344 5.895 3.749 1.00 0.00 C ATOM 0 H PHE A 168 -6.481 3.269 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.739 4.580 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.827 3.170 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.424 4.523 -0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.445 6.559 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.305 3.225 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.993 7.508 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.855 4.175 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.718 6.306 4.527 1.00 0.00 H new ATOM 361 N TYR A 169 -6.083 6.554 -0.866 1.00 0.00 N ATOM 362 CA TYR A 169 -6.092 7.939 -1.303 1.00 0.00 C ATOM 363 C TYR A 169 -7.522 8.462 -1.440 1.00 0.00 C ATOM 364 O TYR A 169 -7.752 9.671 -1.410 1.00 0.00 O ATOM 365 CB TYR A 169 -5.422 7.953 -2.679 1.00 0.00 C ATOM 366 CG TYR A 169 -3.893 7.894 -2.628 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.265 6.930 -1.866 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.145 8.807 -3.342 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.828 6.874 -1.818 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.706 8.750 -3.294 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.119 7.789 -2.535 1.00 0.00 C ATOM 372 OH TYR A 169 0.239 7.735 -2.490 1.00 0.00 O ATOM 0 H TYR A 169 -5.864 5.878 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.576 8.572 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.789 7.106 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.723 8.857 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.852 6.218 -1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.637 9.563 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.324 6.124 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.107 9.456 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 169 0.613 8.447 -3.050 1.00 0.00 H new ATOM 382 N LYS A 170 -8.449 7.526 -1.588 1.00 0.00 N ATOM 383 CA LYS A 170 -9.851 7.878 -1.729 1.00 0.00 C ATOM 384 C LYS A 170 -10.366 8.448 -0.407 1.00 0.00 C ATOM 385 O LYS A 170 -11.057 9.467 -0.393 1.00 0.00 O ATOM 386 CB LYS A 170 -10.656 6.679 -2.237 1.00 0.00 C ATOM 387 CG LYS A 170 -10.877 6.767 -3.749 1.00 0.00 C ATOM 388 CD LYS A 170 -11.346 5.423 -4.312 1.00 0.00 C ATOM 389 CE LYS A 170 -12.849 5.444 -4.596 1.00 0.00 C ATOM 390 NZ LYS A 170 -13.143 4.775 -5.883 1.00 0.00 N ATOM 0 H LYS A 170 -8.256 6.525 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.974 8.657 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.130 5.755 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.619 6.640 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.618 7.536 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.951 7.068 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.802 5.199 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.117 4.627 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.385 4.944 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -13.205 6.474 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -14.168 4.798 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.647 5.269 -6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.821 3.787 -5.842 1.00 0.00 H new ATOM 404 N THR A 171 -10.012 7.768 0.673 1.00 0.00 N ATOM 405 CA THR A 171 -10.429 8.195 1.998 1.00 0.00 C ATOM 406 C THR A 171 -9.616 9.411 2.447 1.00 0.00 C ATOM 407 O THR A 171 -10.163 10.345 3.031 1.00 0.00 O ATOM 408 CB THR A 171 -10.303 6.997 2.942 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.052 5.968 2.300 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.033 7.218 4.269 1.00 0.00 C ATOM 0 H THR A 171 -9.440 6.923 0.658 1.00 0.00 H new ATOM 0 HA THR A 171 -11.469 8.521 2.000 1.00 0.00 H new ATOM 0 HB THR A 171 -9.249 6.798 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 171 -11.429 5.367 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.912 6.339 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.614 8.089 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.093 7.384 4.078 1.00 0.00 H new ATOM 418 N LEU A 172 -8.326 9.360 2.158 1.00 0.00 N ATOM 419 CA LEU A 172 -7.432 10.446 2.524 1.00 0.00 C ATOM 420 C LEU A 172 -7.927 11.745 1.886 1.00 0.00 C ATOM 421 O LEU A 172 -8.064 12.762 2.565 1.00 0.00 O ATOM 422 CB LEU A 172 -5.988 10.097 2.164 1.00 0.00 C ATOM 423 CG LEU A 172 -5.433 10.757 0.900 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.300 12.270 1.084 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.109 10.113 0.479 1.00 0.00 C ATOM 0 H LEU A 172 -7.876 8.583 1.674 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.439 10.597 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.349 10.371 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.915 9.016 2.047 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.143 10.592 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -4.903 12.714 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.279 12.698 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.623 12.478 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.737 10.601 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.379 10.225 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.267 9.053 0.278 1.00 0.00 H new ATOM 437 N ARG A 173 -8.184 11.669 0.589 1.00 0.00 N ATOM 438 CA ARG A 173 -8.662 12.827 -0.148 1.00 0.00 C ATOM 439 C ARG A 173 -10.050 13.237 0.348 1.00 0.00 C ATOM 440 O ARG A 173 -10.506 14.348 0.082 1.00 0.00 O ATOM 441 CB ARG A 173 -8.732 12.535 -1.649 1.00 0.00 C ATOM 442 CG ARG A 173 -7.358 12.699 -2.302 1.00 0.00 C ATOM 443 CD ARG A 173 -7.424 12.396 -3.801 1.00 0.00 C ATOM 444 NE ARG A 173 -6.606 13.375 -4.552 1.00 0.00 N ATOM 445 CZ ARG A 173 -6.833 14.705 -4.556 1.00 0.00 C ATOM 446 NH1 ARG A 173 -7.856 15.229 -3.847 1.00 0.00 N ATOM 447 NH2 ARG A 173 -6.038 15.487 -5.263 1.00 0.00 N ATOM 0 H ARG A 173 -8.070 10.824 0.029 1.00 0.00 H new ATOM 0 HA ARG A 173 -7.956 13.640 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.097 11.520 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.446 13.209 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -6.997 13.716 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -6.642 12.031 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.063 11.385 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.458 12.435 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 173 -5.822 13.022 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.465 14.618 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -8.020 16.236 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.267 15.083 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.195 16.495 -5.277 1.00 0.00 H new ATOM 461 N ALA A 174 -10.683 12.318 1.062 1.00 0.00 N ATOM 462 CA ALA A 174 -12.011 12.569 1.598 1.00 0.00 C ATOM 463 C ALA A 174 -11.885 13.301 2.936 1.00 0.00 C ATOM 464 O ALA A 174 -12.748 14.100 3.295 1.00 0.00 O ATOM 465 CB ALA A 174 -12.769 11.247 1.726 1.00 0.00 C ATOM 0 H ALA A 174 -10.301 11.398 1.282 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.582 13.208 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.764 11.436 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.856 10.781 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.227 10.580 2.397 1.00 0.00 H new ATOM 630 N THR A 186 1.258 9.094 6.611 1.00 0.00 N ATOM 631 CA THR A 186 0.394 8.591 5.557 1.00 0.00 C ATOM 632 C THR A 186 0.956 7.291 4.980 1.00 0.00 C ATOM 633 O THR A 186 0.383 6.221 5.176 1.00 0.00 O ATOM 634 CB THR A 186 0.229 9.698 4.513 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.406 10.756 5.225 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.776 9.328 3.421 1.00 0.00 C ATOM 0 HA THR A 186 -0.593 8.337 5.943 1.00 0.00 H new ATOM 0 HB THR A 186 1.196 9.914 4.058 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.062 10.786 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.855 10.147 2.707 1.00 0.00 H new ATOM 0 HG22 THR A 186 -0.439 8.429 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 186 -1.751 9.144 3.871 1.00 0.00 H new ATOM 644 N GLU A 187 2.072 7.425 4.280 1.00 0.00 N ATOM 645 CA GLU A 187 2.720 6.274 3.673 1.00 0.00 C ATOM 646 C GLU A 187 2.891 5.158 4.705 1.00 0.00 C ATOM 647 O GLU A 187 2.847 3.977 4.361 1.00 0.00 O ATOM 648 CB GLU A 187 4.064 6.663 3.057 1.00 0.00 C ATOM 649 CG GLU A 187 4.766 5.443 2.460 1.00 0.00 C ATOM 650 CD GLU A 187 5.366 5.769 1.090 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.715 5.547 0.059 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.552 6.275 1.121 1.00 0.00 O ATOM 0 H GLU A 187 2.545 8.314 4.119 1.00 0.00 H new ATOM 0 HA GLU A 187 2.084 5.905 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 187 3.909 7.414 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.699 7.117 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.553 5.106 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.056 4.622 2.364 1.00 0.00 H new ATOM 660 N THR A 188 3.084 5.570 5.950 1.00 0.00 N ATOM 661 CA THR A 188 3.263 4.620 7.033 1.00 0.00 C ATOM 662 C THR A 188 1.949 3.889 7.325 1.00 0.00 C ATOM 663 O THR A 188 1.956 2.733 7.744 1.00 0.00 O ATOM 664 CB THR A 188 3.818 5.377 8.240 1.00 0.00 C ATOM 665 OG1 THR A 188 5.113 4.815 8.436 1.00 0.00 O ATOM 666 CG2 THR A 188 3.071 5.046 9.534 1.00 0.00 C ATOM 0 H THR A 188 3.120 6.550 6.232 1.00 0.00 H new ATOM 0 HA THR A 188 3.978 3.843 6.762 1.00 0.00 H new ATOM 0 HB THR A 188 3.762 6.449 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.546 5.250 9.200 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.505 5.610 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.020 5.313 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.155 3.979 9.740 1.00 0.00 H new ATOM 674 N LEU A 189 0.853 4.597 7.094 1.00 0.00 N ATOM 675 CA LEU A 189 -0.465 4.032 7.327 1.00 0.00 C ATOM 676 C LEU A 189 -0.770 2.993 6.246 1.00 0.00 C ATOM 677 O LEU A 189 -1.230 1.894 6.548 1.00 0.00 O ATOM 678 CB LEU A 189 -1.514 5.142 7.427 1.00 0.00 C ATOM 679 CG LEU A 189 -2.048 5.438 8.830 1.00 0.00 C ATOM 680 CD1 LEU A 189 -3.009 6.627 8.811 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.686 4.192 9.448 1.00 0.00 C ATOM 0 H LEU A 189 0.851 5.557 6.748 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.492 3.512 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -1.084 6.058 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.356 4.877 6.788 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.207 5.716 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.374 6.816 9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.488 7.510 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.852 6.403 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.057 4.430 10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.514 3.859 8.822 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.942 3.399 9.518 1.00 0.00 H new ATOM 693 N LEU A 190 -0.498 3.379 5.007 1.00 0.00 N ATOM 694 CA LEU A 190 -0.737 2.495 3.880 1.00 0.00 C ATOM 695 C LEU A 190 0.087 1.218 4.056 1.00 0.00 C ATOM 696 O LEU A 190 -0.416 0.117 3.839 1.00 0.00 O ATOM 697 CB LEU A 190 -0.468 3.224 2.562 1.00 0.00 C ATOM 698 CG LEU A 190 -0.486 2.358 1.300 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.648 2.749 0.383 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.859 2.416 0.576 1.00 0.00 C ATOM 0 H LEU A 190 -0.115 4.291 4.760 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.785 2.196 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.211 4.013 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.505 3.710 2.631 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.646 1.322 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.638 2.119 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.591 2.614 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.544 3.793 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.819 1.792 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.074 3.446 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.645 2.052 1.238 1.00 0.00 H new ATOM 712 N VAL A 191 1.339 1.408 4.445 1.00 0.00 N ATOM 713 CA VAL A 191 2.237 0.284 4.652 1.00 0.00 C ATOM 714 C VAL A 191 1.765 -0.523 5.862 1.00 0.00 C ATOM 715 O VAL A 191 1.691 -1.750 5.803 1.00 0.00 O ATOM 716 CB VAL A 191 3.676 0.784 4.790 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.593 -0.323 5.318 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.196 1.338 3.462 1.00 0.00 C ATOM 0 H VAL A 191 1.753 2.323 4.622 1.00 0.00 H new ATOM 0 HA VAL A 191 2.220 -0.383 3.790 1.00 0.00 H new ATOM 0 HB VAL A 191 3.678 1.597 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.610 0.059 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.242 -0.651 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.581 -1.166 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.221 1.686 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.171 0.554 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.567 2.169 3.143 1.00 0.00 H new ATOM 728 N GLN A 192 1.457 0.196 6.931 1.00 0.00 N ATOM 729 CA GLN A 192 0.995 -0.439 8.154 1.00 0.00 C ATOM 730 C GLN A 192 -0.346 -1.137 7.914 1.00 0.00 C ATOM 731 O GLN A 192 -0.589 -2.219 8.445 1.00 0.00 O ATOM 732 CB GLN A 192 0.889 0.577 9.293 1.00 0.00 C ATOM 733 CG GLN A 192 2.245 0.783 9.971 1.00 0.00 C ATOM 734 CD GLN A 192 2.071 1.107 11.456 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.332 1.998 11.842 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.792 0.335 12.266 1.00 0.00 N ATOM 0 H GLN A 192 1.518 1.213 6.976 1.00 0.00 H new ATOM 0 HA GLN A 192 1.727 -1.191 8.450 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.524 1.528 8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.160 0.232 10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.852 -0.116 9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.783 1.593 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 192 3.391 -0.393 11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.746 0.472 13.276 1.00 0.00 H new ATOM 745 N ASN A 193 -1.179 -0.488 7.113 1.00 0.00 N ATOM 746 CA ASN A 193 -2.489 -1.032 6.798 1.00 0.00 C ATOM 747 C ASN A 193 -2.366 -1.984 5.605 1.00 0.00 C ATOM 748 O ASN A 193 -3.373 -2.455 5.077 1.00 0.00 O ATOM 749 CB ASN A 193 -3.471 0.076 6.420 1.00 0.00 C ATOM 750 CG ASN A 193 -4.917 -0.387 6.594 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.256 -1.541 6.386 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.750 0.572 6.987 1.00 0.00 N ATOM 0 H ASN A 193 -0.972 0.409 6.673 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.859 -1.553 7.681 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.290 0.954 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.304 0.377 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.738 0.362 7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.401 1.518 7.144 1.00 0.00 H new ATOM 759 N ALA A 194 -1.126 -2.238 5.215 1.00 0.00 N ATOM 760 CA ALA A 194 -0.860 -3.123 4.095 1.00 0.00 C ATOM 761 C ALA A 194 -0.627 -4.542 4.617 1.00 0.00 C ATOM 762 O ALA A 194 -0.240 -4.728 5.770 1.00 0.00 O ATOM 763 CB ALA A 194 0.333 -2.592 3.298 1.00 0.00 C ATOM 0 H ALA A 194 -0.294 -1.846 5.655 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.715 -3.156 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.533 -3.256 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.106 -1.593 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.211 -2.548 3.943 1.00 0.00 H new ATOM 769 N ASN A 195 -0.873 -5.507 3.742 1.00 0.00 N ATOM 770 CA ASN A 195 -0.694 -6.904 4.101 1.00 0.00 C ATOM 771 C ASN A 195 0.670 -7.086 4.769 1.00 0.00 C ATOM 772 O ASN A 195 1.453 -6.142 4.855 1.00 0.00 O ATOM 773 CB ASN A 195 -0.736 -7.799 2.861 1.00 0.00 C ATOM 774 CG ASN A 195 -1.908 -8.782 2.931 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.810 -8.654 3.745 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.846 -9.764 2.038 1.00 0.00 N ATOM 0 H ASN A 195 -1.194 -5.349 2.787 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.501 -7.184 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.827 -7.183 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.200 -8.350 2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.581 -10.470 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.063 -9.812 1.386 1.00 0.00 H new ATOM 783 N PRO A 196 0.919 -8.338 5.236 1.00 0.00 N ATOM 784 CA PRO A 196 2.175 -8.655 5.894 1.00 0.00 C ATOM 785 C PRO A 196 3.312 -8.772 4.878 1.00 0.00 C ATOM 786 O PRO A 196 4.346 -8.118 5.020 1.00 0.00 O ATOM 787 CB PRO A 196 1.911 -9.952 6.642 1.00 0.00 C ATOM 788 CG PRO A 196 0.670 -10.556 6.004 1.00 0.00 C ATOM 789 CD PRO A 196 0.015 -9.480 5.152 1.00 0.00 C ATOM 0 HA PRO A 196 2.499 -7.873 6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.761 -10.630 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.753 -9.765 7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.936 -11.418 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.020 -10.909 6.770 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.108 -9.812 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.977 -9.228 5.527 1.00 0.00 H new ATOM 797 N ASP A 197 3.085 -9.607 3.876 1.00 0.00 N ATOM 798 CA ASP A 197 4.078 -9.817 2.836 1.00 0.00 C ATOM 799 C ASP A 197 4.520 -8.463 2.279 1.00 0.00 C ATOM 800 O ASP A 197 5.715 -8.182 2.201 1.00 0.00 O ATOM 801 CB ASP A 197 3.499 -10.636 1.680 1.00 0.00 C ATOM 802 CG ASP A 197 4.070 -12.049 1.541 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.488 -13.025 2.037 1.00 0.00 O ATOM 804 OD2 ASP A 197 5.174 -12.129 0.879 1.00 0.00 O ATOM 0 H ASP A 197 2.227 -10.147 3.762 1.00 0.00 H new ATOM 0 HA ASP A 197 4.918 -10.355 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.419 -10.708 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.673 -10.096 0.749 1.00 0.00 H new ATOM 810 N CYS A 198 3.535 -7.659 1.908 1.00 0.00 N ATOM 811 CA CYS A 198 3.808 -6.342 1.362 1.00 0.00 C ATOM 812 C CYS A 198 4.685 -5.581 2.358 1.00 0.00 C ATOM 813 O CYS A 198 5.576 -4.833 1.960 1.00 0.00 O ATOM 814 CB CYS A 198 2.520 -5.583 1.040 1.00 0.00 C ATOM 815 SG CYS A 198 2.904 -4.073 0.081 1.00 0.00 S ATOM 0 H CYS A 198 2.545 -7.895 1.975 1.00 0.00 H new ATOM 0 HA CYS A 198 4.338 -6.442 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.844 -6.222 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.005 -5.316 1.963 1.00 0.00 H new ATOM 0 HG CYS A 198 2.399 -4.177 -1.112 1.00 0.00 H new ATOM 821 N LYS A 199 4.401 -5.799 3.633 1.00 0.00 N ATOM 822 CA LYS A 199 5.153 -5.143 4.690 1.00 0.00 C ATOM 823 C LYS A 199 6.634 -5.498 4.552 1.00 0.00 C ATOM 824 O LYS A 199 7.495 -4.621 4.612 1.00 0.00 O ATOM 825 CB LYS A 199 4.563 -5.486 6.060 1.00 0.00 C ATOM 826 CG LYS A 199 5.024 -4.486 7.121 1.00 0.00 C ATOM 827 CD LYS A 199 3.931 -4.256 8.169 1.00 0.00 C ATOM 828 CE LYS A 199 4.521 -3.677 9.456 1.00 0.00 C ATOM 829 NZ LYS A 199 4.454 -2.199 9.440 1.00 0.00 N ATOM 0 H LYS A 199 3.661 -6.421 3.959 1.00 0.00 H new ATOM 0 HA LYS A 199 5.075 -4.060 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.475 -5.484 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.865 -6.493 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.927 -4.856 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.283 -3.540 6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.178 -3.576 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.427 -5.197 8.387 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.976 -4.062 10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.557 -3.998 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 5.417 -1.808 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.927 -1.884 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.970 -1.864 10.297 1.00 0.00 H new ATOM 843 N THR A 200 6.886 -6.786 4.370 1.00 0.00 N ATOM 844 CA THR A 200 8.249 -7.269 4.224 1.00 0.00 C ATOM 845 C THR A 200 8.897 -6.664 2.976 1.00 0.00 C ATOM 846 O THR A 200 10.071 -6.298 2.998 1.00 0.00 O ATOM 847 CB THR A 200 8.211 -8.798 4.208 1.00 0.00 C ATOM 848 OG1 THR A 200 7.630 -9.143 5.462 1.00 0.00 O ATOM 849 CG2 THR A 200 9.608 -9.420 4.260 1.00 0.00 C ATOM 0 H THR A 200 6.169 -7.510 4.320 1.00 0.00 H new ATOM 0 HA THR A 200 8.872 -6.955 5.062 1.00 0.00 H new ATOM 0 HB THR A 200 7.696 -9.139 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.566 -10.118 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.523 -10.507 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.186 -9.090 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.112 -9.107 5.174 1.00 0.00 H new ATOM 857 N ILE A 201 8.104 -6.579 1.919 1.00 0.00 N ATOM 858 CA ILE A 201 8.585 -6.025 0.665 1.00 0.00 C ATOM 859 C ILE A 201 8.837 -4.526 0.838 1.00 0.00 C ATOM 860 O ILE A 201 9.733 -3.966 0.206 1.00 0.00 O ATOM 861 CB ILE A 201 7.620 -6.360 -0.475 1.00 0.00 C ATOM 862 CG1 ILE A 201 6.974 -7.730 -0.261 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.318 -6.261 -1.832 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.953 -8.535 -1.562 1.00 0.00 C ATOM 0 H ILE A 201 7.131 -6.885 1.905 1.00 0.00 H new ATOM 0 HA ILE A 201 9.537 -6.479 0.389 1.00 0.00 H new ATOM 0 HB ILE A 201 6.818 -5.622 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.524 -8.280 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 201 5.957 -7.603 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.610 -6.504 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.690 -5.247 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.152 -6.962 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.489 -9.505 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.382 -7.993 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.974 -8.681 -1.916 1.00 0.00 H new ATOM 876 N LEU A 202 8.032 -3.918 1.694 1.00 0.00 N ATOM 877 CA LEU A 202 8.155 -2.493 1.958 1.00 0.00 C ATOM 878 C LEU A 202 9.420 -2.241 2.782 1.00 0.00 C ATOM 879 O LEU A 202 10.051 -1.194 2.650 1.00 0.00 O ATOM 880 CB LEU A 202 6.879 -1.956 2.609 1.00 0.00 C ATOM 881 CG LEU A 202 5.807 -1.432 1.650 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.405 -1.689 2.205 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.035 0.045 1.327 1.00 0.00 C ATOM 0 H LEU A 202 7.290 -4.385 2.215 1.00 0.00 H new ATOM 0 HA LEU A 202 8.265 -1.940 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.441 -2.750 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.153 -1.151 3.291 1.00 0.00 H new ATOM 0 HG LEU A 202 5.888 -1.981 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.661 -1.308 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.259 -2.760 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.295 -1.182 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.260 0.392 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.996 0.629 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.012 0.169 0.860 1.00 0.00 H new ATOM 895 N LYS A 203 9.751 -3.218 3.614 1.00 0.00 N ATOM 896 CA LYS A 203 10.928 -3.113 4.459 1.00 0.00 C ATOM 897 C LYS A 203 12.184 -3.274 3.600 1.00 0.00 C ATOM 898 O LYS A 203 13.146 -2.522 3.753 1.00 0.00 O ATOM 899 CB LYS A 203 10.845 -4.108 5.618 1.00 0.00 C ATOM 900 CG LYS A 203 10.556 -3.390 6.939 1.00 0.00 C ATOM 901 CD LYS A 203 10.502 -4.381 8.103 1.00 0.00 C ATOM 902 CE LYS A 203 9.109 -4.408 8.735 1.00 0.00 C ATOM 903 NZ LYS A 203 9.090 -3.606 9.979 1.00 0.00 N ATOM 0 H LYS A 203 9.225 -4.085 3.721 1.00 0.00 H new ATOM 0 HA LYS A 203 10.980 -2.126 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.062 -4.839 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.782 -4.659 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.328 -2.644 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.608 -2.857 6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 203 10.764 -5.378 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 203 11.241 -4.105 8.855 1.00 0.00 H new ATOM 0 HE2 LYS A 203 8.376 -4.015 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.822 -5.437 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.138 -3.634 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.776 -3.998 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.343 -2.621 9.761 1.00 0.00 H new ATOM 917 N ALA A 204 12.134 -4.258 2.714 1.00 0.00 N ATOM 918 CA ALA A 204 13.256 -4.527 1.831 1.00 0.00 C ATOM 919 C ALA A 204 13.277 -3.484 0.711 1.00 0.00 C ATOM 920 O ALA A 204 14.303 -3.288 0.061 1.00 0.00 O ATOM 921 CB ALA A 204 13.151 -5.957 1.294 1.00 0.00 C ATOM 0 H ALA A 204 11.334 -4.878 2.589 1.00 0.00 H new ATOM 0 HA ALA A 204 14.199 -4.450 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 204 13.992 -6.160 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.167 -6.660 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.218 -6.071 0.741 1.00 0.00 H new ATOM 927 N LEU A 205 12.134 -2.842 0.519 1.00 0.00 N ATOM 928 CA LEU A 205 12.010 -1.825 -0.510 1.00 0.00 C ATOM 929 C LEU A 205 12.749 -0.562 -0.064 1.00 0.00 C ATOM 930 O LEU A 205 13.843 -0.275 -0.545 1.00 0.00 O ATOM 931 CB LEU A 205 10.538 -1.587 -0.853 1.00 0.00 C ATOM 932 CG LEU A 205 10.182 -0.184 -1.348 1.00 0.00 C ATOM 933 CD1 LEU A 205 9.272 -0.249 -2.576 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.570 0.654 -0.225 1.00 0.00 C ATOM 0 H LEU A 205 11.285 -3.007 1.060 1.00 0.00 H new ATOM 0 HA LEU A 205 12.479 -2.160 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.243 -2.306 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 205 9.940 -1.800 0.033 1.00 0.00 H new ATOM 0 HG LEU A 205 11.102 0.313 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.035 0.762 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 205 9.781 -0.783 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 205 8.351 -0.772 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.326 1.647 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.663 0.170 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.285 0.743 0.593 1.00 0.00 H new ATOM 946 N GLY A 206 12.120 0.161 0.852 1.00 0.00 N ATOM 947 CA GLY A 206 12.704 1.387 1.369 1.00 0.00 C ATOM 948 C GLY A 206 11.804 2.017 2.435 1.00 0.00 C ATOM 949 O GLY A 206 10.586 2.058 2.278 1.00 0.00 O ATOM 0 H GLY A 206 11.212 -0.079 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.685 1.175 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 206 12.857 2.093 0.553 1.00 0.00 H new ATOM 953 N PRO A 207 12.458 2.504 3.523 1.00 0.00 N ATOM 954 CA PRO A 207 11.730 3.129 4.615 1.00 0.00 C ATOM 955 C PRO A 207 11.258 4.531 4.228 1.00 0.00 C ATOM 956 O PRO A 207 11.572 5.505 4.910 1.00 0.00 O ATOM 957 CB PRO A 207 12.702 3.130 5.784 1.00 0.00 C ATOM 958 CG PRO A 207 14.082 2.934 5.180 1.00 0.00 C ATOM 959 CD PRO A 207 13.901 2.472 3.743 1.00 0.00 C ATOM 0 HA PRO A 207 10.817 2.593 4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.647 4.068 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.467 2.332 6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.649 3.864 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.647 2.196 5.750 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.422 3.129 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.302 1.469 3.596 1.00 0.00 H new ATOM 967 N GLY A 208 10.515 4.590 3.133 1.00 0.00 N ATOM 968 CA GLY A 208 9.997 5.858 2.646 1.00 0.00 C ATOM 969 C GLY A 208 10.185 5.982 1.133 1.00 0.00 C ATOM 970 O GLY A 208 10.587 7.033 0.638 1.00 0.00 O ATOM 0 H GLY A 208 10.259 3.780 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.939 5.941 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.507 6.680 3.148 1.00 0.00 H new ATOM 974 N ALA A 209 9.883 4.894 0.440 1.00 0.00 N ATOM 975 CA ALA A 209 10.013 4.866 -1.007 1.00 0.00 C ATOM 976 C ALA A 209 8.790 5.535 -1.637 1.00 0.00 C ATOM 977 O ALA A 209 7.791 5.773 -0.961 1.00 0.00 O ATOM 978 CB ALA A 209 10.196 3.422 -1.477 1.00 0.00 C ATOM 0 H ALA A 209 9.548 4.024 0.854 1.00 0.00 H new ATOM 0 HA ALA A 209 10.894 5.424 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.293 3.402 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.095 3.003 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.330 2.830 -1.180 1.00 0.00 H new ATOM 984 N THR A 210 8.907 5.818 -2.927 1.00 0.00 N ATOM 985 CA THR A 210 7.824 6.454 -3.655 1.00 0.00 C ATOM 986 C THR A 210 6.712 5.443 -3.947 1.00 0.00 C ATOM 987 O THR A 210 6.856 4.256 -3.656 1.00 0.00 O ATOM 988 CB THR A 210 8.411 7.092 -4.915 1.00 0.00 C ATOM 989 OG1 THR A 210 7.275 7.356 -5.733 1.00 0.00 O ATOM 990 CG2 THR A 210 9.243 6.106 -5.738 1.00 0.00 C ATOM 0 H THR A 210 9.736 5.618 -3.486 1.00 0.00 H new ATOM 0 HA THR A 210 7.358 7.241 -3.062 1.00 0.00 H new ATOM 0 HB THR A 210 9.031 7.944 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.565 7.772 -6.571 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.636 6.610 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 210 10.071 5.735 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.616 5.270 -6.047 1.00 0.00 H new ATOM 998 N LEU A 211 5.631 5.951 -4.521 1.00 0.00 N ATOM 999 CA LEU A 211 4.496 5.107 -4.856 1.00 0.00 C ATOM 1000 C LEU A 211 4.951 4.008 -5.820 1.00 0.00 C ATOM 1001 O LEU A 211 4.807 2.823 -5.527 1.00 0.00 O ATOM 1002 CB LEU A 211 3.339 5.953 -5.389 1.00 0.00 C ATOM 1003 CG LEU A 211 1.973 5.266 -5.436 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.896 4.280 -6.604 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.648 4.599 -4.099 1.00 0.00 C ATOM 0 H LEU A 211 5.517 6.935 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 211 4.113 4.611 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.253 6.847 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.591 6.285 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 211 1.213 6.028 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.915 3.805 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.051 4.814 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.667 3.518 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.672 4.118 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.407 3.851 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.633 5.352 -3.311 1.00 0.00 H new ATOM 1017 N GLU A 212 5.488 4.443 -6.950 1.00 0.00 N ATOM 1018 CA GLU A 212 5.964 3.511 -7.959 1.00 0.00 C ATOM 1019 C GLU A 212 6.810 2.413 -7.311 1.00 0.00 C ATOM 1020 O GLU A 212 6.833 1.280 -7.789 1.00 0.00 O ATOM 1021 CB GLU A 212 6.753 4.240 -9.048 1.00 0.00 C ATOM 1022 CG GLU A 212 8.207 4.456 -8.620 1.00 0.00 C ATOM 1023 CD GLU A 212 9.107 3.338 -9.150 1.00 0.00 C ATOM 1024 OE1 GLU A 212 9.476 3.347 -10.334 1.00 0.00 O ATOM 1025 OE2 GLU A 212 9.424 2.438 -8.282 1.00 0.00 O ATOM 0 H GLU A 212 5.604 5.428 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 212 5.100 3.045 -8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.724 3.662 -9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 212 6.285 5.202 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 212 8.560 5.418 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 212 8.268 4.492 -7.532 1.00 0.00 H new ATOM 1033 N GLU A 213 7.482 2.787 -6.232 1.00 0.00 N ATOM 1034 CA GLU A 213 8.325 1.847 -5.514 1.00 0.00 C ATOM 1035 C GLU A 213 7.466 0.878 -4.698 1.00 0.00 C ATOM 1036 O GLU A 213 7.712 -0.327 -4.701 1.00 0.00 O ATOM 1037 CB GLU A 213 9.324 2.582 -4.616 1.00 0.00 C ATOM 1038 CG GLU A 213 10.550 1.711 -4.333 1.00 0.00 C ATOM 1039 CD GLU A 213 11.818 2.347 -4.903 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.290 3.366 -4.376 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.316 1.746 -5.930 1.00 0.00 O ATOM 0 H GLU A 213 7.460 3.728 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 213 8.895 1.271 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.635 3.510 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.842 2.855 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.661 1.571 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.407 0.723 -4.770 1.00 0.00 H new ATOM 1049 N MET A 214 6.476 1.441 -4.022 1.00 0.00 N ATOM 1050 CA MET A 214 5.580 0.642 -3.203 1.00 0.00 C ATOM 1051 C MET A 214 4.800 -0.359 -4.061 1.00 0.00 C ATOM 1052 O MET A 214 4.607 -1.505 -3.661 1.00 0.00 O ATOM 1053 CB MET A 214 4.599 1.562 -2.473 1.00 0.00 C ATOM 1054 CG MET A 214 5.306 2.352 -1.370 1.00 0.00 C ATOM 1055 SD MET A 214 4.137 2.813 -0.103 1.00 0.00 S ATOM 1056 CE MET A 214 3.046 3.858 -1.054 1.00 0.00 C ATOM 0 H MET A 214 6.274 2.441 -4.024 1.00 0.00 H new ATOM 0 HA MET A 214 6.177 0.086 -2.480 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.143 2.251 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 214 3.792 0.970 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.106 1.751 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.769 3.244 -1.791 1.00 0.00 H new ATOM 0 HE1 MET A 214 2.496 4.517 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 214 3.632 4.458 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 214 2.343 3.239 -1.611 1.00 0.00 H new ATOM 1066 N MET A 215 4.375 0.114 -5.223 1.00 0.00 N ATOM 1067 CA MET A 215 3.621 -0.724 -6.140 1.00 0.00 C ATOM 1068 C MET A 215 4.529 -1.755 -6.812 1.00 0.00 C ATOM 1069 O MET A 215 4.105 -2.878 -7.086 1.00 0.00 O ATOM 1070 CB MET A 215 2.964 0.152 -7.209 1.00 0.00 C ATOM 1071 CG MET A 215 1.932 -0.645 -8.012 1.00 0.00 C ATOM 1072 SD MET A 215 0.477 0.347 -8.291 1.00 0.00 S ATOM 1073 CE MET A 215 1.178 1.659 -9.276 1.00 0.00 C ATOM 0 H MET A 215 4.538 1.066 -5.551 1.00 0.00 H new ATOM 0 HA MET A 215 2.857 -1.255 -5.573 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.481 1.008 -6.737 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.727 0.547 -7.880 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.360 -0.953 -8.966 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.664 -1.555 -7.474 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.376 2.263 -9.701 1.00 0.00 H new ATOM 0 HE2 MET A 215 1.811 2.286 -8.649 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.775 1.230 -10.081 1.00 0.00 H new ATOM 1083 N THR A 216 5.763 -1.339 -7.060 1.00 0.00 N ATOM 1084 CA THR A 216 6.734 -2.213 -7.696 1.00 0.00 C ATOM 1085 C THR A 216 7.038 -3.414 -6.798 1.00 0.00 C ATOM 1086 O THR A 216 7.182 -4.535 -7.285 1.00 0.00 O ATOM 1087 CB THR A 216 7.972 -1.378 -8.032 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.808 -1.055 -9.411 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.261 -2.200 -7.993 1.00 0.00 C ATOM 0 H THR A 216 6.112 -0.408 -6.832 1.00 0.00 H new ATOM 0 HA THR A 216 6.343 -2.630 -8.624 1.00 0.00 H new ATOM 0 HB THR A 216 8.051 -0.547 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 216 7.405 -0.166 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.108 -1.560 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.398 -2.615 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.197 -3.012 -8.718 1.00 0.00 H new ATOM 1097 N ALA A 217 7.127 -3.139 -5.505 1.00 0.00 N ATOM 1098 CA ALA A 217 7.411 -4.184 -4.536 1.00 0.00 C ATOM 1099 C ALA A 217 6.177 -5.076 -4.377 1.00 0.00 C ATOM 1100 O ALA A 217 6.288 -6.300 -4.387 1.00 0.00 O ATOM 1101 CB ALA A 217 7.846 -3.548 -3.214 1.00 0.00 C ATOM 0 H ALA A 217 7.008 -2.208 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 217 8.231 -4.815 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.059 -4.331 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.742 -2.949 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.047 -2.910 -2.837 1.00 0.00 H new ATOM 1107 N CYS A 218 5.031 -4.425 -4.236 1.00 0.00 N ATOM 1108 CA CYS A 218 3.779 -5.144 -4.075 1.00 0.00 C ATOM 1109 C CYS A 218 3.610 -6.086 -5.268 1.00 0.00 C ATOM 1110 O CYS A 218 3.181 -7.228 -5.106 1.00 0.00 O ATOM 1111 CB CYS A 218 2.593 -4.188 -3.930 1.00 0.00 C ATOM 1112 SG CYS A 218 1.182 -5.055 -3.152 1.00 0.00 S ATOM 0 H CYS A 218 4.944 -3.409 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 218 3.806 -5.727 -3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.880 -3.328 -3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.301 -3.806 -4.908 1.00 0.00 H new ATOM 0 HG CYS A 218 0.315 -4.182 -2.731 1.00 0.00 H new ATOM 1118 N GLN A 219 3.955 -5.575 -6.440 1.00 0.00 N ATOM 1119 CA GLN A 219 3.847 -6.358 -7.660 1.00 0.00 C ATOM 1120 C GLN A 219 4.753 -7.586 -7.584 1.00 0.00 C ATOM 1121 O GLN A 219 4.505 -8.587 -8.254 1.00 0.00 O ATOM 1122 CB GLN A 219 4.177 -5.506 -8.888 1.00 0.00 C ATOM 1123 CG GLN A 219 3.049 -5.570 -9.919 1.00 0.00 C ATOM 1124 CD GLN A 219 3.061 -6.906 -10.664 1.00 0.00 C ATOM 1125 OE1 GLN A 219 2.607 -7.926 -10.171 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.607 -6.845 -11.875 1.00 0.00 N ATOM 0 H GLN A 219 4.310 -4.628 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 219 2.816 -6.698 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.339 -4.472 -8.585 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.106 -5.855 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.089 -5.436 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 219 3.156 -4.752 -10.631 1.00 0.00 H new ATOM 0 HE21 GLN A 219 3.968 -5.959 -12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.665 -7.685 -12.451 1.00 0.00 H new ATOM 1135 N GLY A 220 5.788 -7.470 -6.764 1.00 0.00 N ATOM 1136 CA GLY A 220 6.733 -8.560 -6.593 1.00 0.00 C ATOM 1137 C GLY A 220 6.169 -9.634 -5.659 1.00 0.00 C ATOM 1138 O GLY A 220 6.551 -10.800 -5.745 1.00 0.00 O ATOM 0 H GLY A 220 5.992 -6.638 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.964 -9.001 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.668 -8.175 -6.187 1.00 0.00 H new ATOM 1142 N VAL A 221 5.270 -9.202 -4.788 1.00 0.00 N ATOM 1143 CA VAL A 221 4.650 -10.110 -3.839 1.00 0.00 C ATOM 1144 C VAL A 221 4.264 -11.405 -4.558 1.00 0.00 C ATOM 1145 O VAL A 221 4.115 -11.422 -5.779 1.00 0.00 O ATOM 1146 CB VAL A 221 3.460 -9.427 -3.160 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.171 -9.656 -3.953 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.307 -9.904 -1.714 1.00 0.00 C ATOM 0 H VAL A 221 4.956 -8.234 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 221 5.352 -10.372 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 221 3.655 -8.355 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.341 -9.161 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.283 -9.246 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.969 -10.725 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.455 -9.404 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.145 -10.982 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.212 -9.667 -1.155 1.00 0.00 H new