USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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 184 HIS : no HD1:sc= -0.0895 X(o=0.74,f=0.46) USER MOD Set 1.2: A 188 THR OG1 : rot 81:sc= 0.827 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.516 K(o=-0.48,f=-1.4) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.0312 X(o=-0.48,f=-0.49) USER MOD Single : A 148 THR OG1 : rot -76:sc= 1.15 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -169:sc=-0.00578 (180deg=-0.149) USER MOD Single : A 171 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.17) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 179 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.037) USER MOD Single : A 182 LYS NZ :NH3+ -152:sc= 0.014 (180deg=-1.58!) USER MOD Single : A 183 ASN : amide:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.25 K(o=1.2,f=-3.1!) USER MOD Single : A 187 SER OG : rot 83:sc= 0.93 USER MOD Single : A 189 MET CE :methyl -124:sc= -0.272 (180deg=-0.813) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.477 -9.368 -12.365 1.00 0.00 N ATOM 89 CA TRP A 147 14.634 -9.161 -13.223 1.00 0.00 C ATOM 90 C TRP A 147 14.249 -9.377 -14.684 1.00 0.00 C ATOM 91 O TRP A 147 13.479 -10.286 -14.994 1.00 0.00 O ATOM 92 CB TRP A 147 15.738 -10.129 -12.806 1.00 0.00 C ATOM 93 CG TRP A 147 16.523 -9.681 -11.620 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.431 -10.178 -10.380 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.518 -8.628 -11.544 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.299 -9.530 -9.527 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.008 -8.553 -10.206 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.056 -7.723 -12.475 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.992 -7.635 -9.823 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.043 -6.793 -12.096 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.515 -6.754 -10.781 1.00 0.00 C ATOM 0 HA TRP A 147 14.995 -8.138 -13.118 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.292 -11.100 -12.588 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.418 -10.272 -13.646 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.767 -10.978 -10.088 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.404 -9.741 -8.535 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.707 -7.741 -13.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.344 -7.605 -8.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.439 -6.104 -12.828 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.282 -6.046 -10.503 1.00 0.00 H new ATOM 112 N THR A 148 14.792 -8.536 -15.579 1.00 0.00 N ATOM 113 CA THR A 148 14.523 -8.633 -17.011 1.00 0.00 C ATOM 114 C THR A 148 15.693 -9.326 -17.711 1.00 0.00 C ATOM 115 O THR A 148 16.814 -9.318 -17.208 1.00 0.00 O ATOM 116 CB THR A 148 14.306 -7.230 -17.590 1.00 0.00 C ATOM 117 OG1 THR A 148 15.468 -6.452 -17.398 1.00 0.00 O ATOM 118 CG2 THR A 148 13.119 -6.556 -16.898 1.00 0.00 C ATOM 0 H THR A 148 15.425 -7.777 -15.326 1.00 0.00 H new ATOM 0 HA THR A 148 13.621 -9.223 -17.173 1.00 0.00 H new ATOM 0 HB THR A 148 14.097 -7.314 -18.656 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.522 -6.171 -16.461 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.972 -5.560 -17.315 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.220 -7.152 -17.055 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.318 -6.476 -15.829 1.00 0.00 H new ATOM 126 N GLU A 149 15.427 -9.924 -18.881 1.00 0.00 N ATOM 127 CA GLU A 149 16.455 -10.623 -19.643 1.00 0.00 C ATOM 128 C GLU A 149 17.600 -9.666 -20.006 1.00 0.00 C ATOM 129 O GLU A 149 18.751 -10.092 -20.109 1.00 0.00 O ATOM 130 CB GLU A 149 15.827 -11.268 -20.891 1.00 0.00 C ATOM 131 CG GLU A 149 15.244 -10.204 -21.840 1.00 0.00 C ATOM 132 CD GLU A 149 16.276 -9.728 -22.860 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.014 -10.593 -23.380 1.00 0.00 O ATOM 134 OE2 GLU A 149 16.308 -8.505 -23.105 1.00 0.00 O ATOM 0 H GLU A 149 14.504 -9.934 -19.316 1.00 0.00 H new ATOM 0 HA GLU A 149 16.883 -11.418 -19.032 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.580 -11.854 -21.418 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.040 -11.959 -20.589 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.380 -10.616 -22.362 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.889 -9.353 -21.258 1.00 0.00 H new ATOM 141 N GLU A 150 17.289 -8.374 -20.188 1.00 0.00 N ATOM 142 CA GLU A 150 18.304 -7.379 -20.496 1.00 0.00 C ATOM 143 C GLU A 150 19.243 -7.241 -19.302 1.00 0.00 C ATOM 144 O GLU A 150 20.457 -7.275 -19.460 1.00 0.00 O ATOM 145 CB GLU A 150 17.631 -6.039 -20.831 1.00 0.00 C ATOM 146 CG GLU A 150 18.691 -4.974 -21.160 1.00 0.00 C ATOM 147 CD GLU A 150 19.498 -5.354 -22.399 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.944 -5.199 -23.508 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.653 -5.798 -22.218 1.00 0.00 O ATOM 0 H GLU A 150 16.341 -8.003 -20.125 1.00 0.00 H new ATOM 0 HA GLU A 150 18.885 -7.690 -21.364 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.958 -6.165 -21.679 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.024 -5.709 -19.988 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.204 -4.012 -21.322 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.362 -4.852 -20.310 1.00 0.00 H new ATOM 156 N GLU A 151 18.680 -7.091 -18.102 1.00 0.00 N ATOM 157 CA GLU A 151 19.481 -6.964 -16.900 1.00 0.00 C ATOM 158 C GLU A 151 20.352 -8.208 -16.722 1.00 0.00 C ATOM 159 O GLU A 151 21.540 -8.088 -16.445 1.00 0.00 O ATOM 160 CB GLU A 151 18.575 -6.774 -15.695 1.00 0.00 C ATOM 161 CG GLU A 151 17.989 -5.360 -15.691 1.00 0.00 C ATOM 162 CD GLU A 151 16.918 -5.227 -14.616 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.909 -5.962 -14.724 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.124 -4.400 -13.699 1.00 0.00 O ATOM 0 H GLU A 151 17.673 -7.055 -17.945 1.00 0.00 H new ATOM 0 HA GLU A 151 20.131 -6.093 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.770 -7.509 -15.717 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.138 -6.945 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.781 -4.633 -15.515 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.561 -5.135 -16.668 1.00 0.00 H new ATOM 171 N ASP A 152 19.765 -9.403 -16.887 1.00 0.00 N ATOM 172 CA ASP A 152 20.517 -10.650 -16.775 1.00 0.00 C ATOM 173 C ASP A 152 21.711 -10.608 -17.729 1.00 0.00 C ATOM 174 O ASP A 152 22.823 -10.979 -17.354 1.00 0.00 O ATOM 175 CB ASP A 152 19.606 -11.839 -17.104 1.00 0.00 C ATOM 176 CG ASP A 152 18.742 -12.223 -15.908 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.915 -11.377 -15.508 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.925 -13.359 -15.417 1.00 0.00 O ATOM 0 H ASP A 152 18.775 -9.526 -17.098 1.00 0.00 H new ATOM 0 HA ASP A 152 20.883 -10.768 -15.755 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.967 -11.587 -17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.213 -12.692 -17.406 1.00 0.00 H new ATOM 183 N ARG A 153 21.474 -10.146 -18.962 1.00 0.00 N ATOM 184 CA ARG A 153 22.518 -10.032 -19.969 1.00 0.00 C ATOM 185 C ARG A 153 23.597 -9.045 -19.500 1.00 0.00 C ATOM 186 O ARG A 153 24.785 -9.306 -19.680 1.00 0.00 O ATOM 187 CB ARG A 153 21.877 -9.593 -21.294 1.00 0.00 C ATOM 188 CG ARG A 153 22.949 -9.162 -22.301 1.00 0.00 C ATOM 189 CD ARG A 153 22.319 -8.986 -23.689 1.00 0.00 C ATOM 190 NE ARG A 153 21.082 -8.181 -23.622 1.00 0.00 N ATOM 191 CZ ARG A 153 19.840 -8.695 -23.764 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.635 -10.018 -23.721 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.800 -7.875 -23.943 1.00 0.00 N ATOM 0 H ARG A 153 20.554 -9.843 -19.282 1.00 0.00 H new ATOM 0 HA ARG A 153 23.007 -10.994 -20.122 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.291 -10.413 -21.709 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.188 -8.768 -21.114 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.408 -8.227 -21.979 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.742 -9.909 -22.344 1.00 0.00 H new ATOM 0 HD2 ARG A 153 23.033 -8.503 -24.356 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.096 -9.964 -24.115 1.00 0.00 H new ATOM 0 HE ARG A 153 21.170 -7.178 -23.459 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.422 -10.652 -23.580 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.692 -10.392 -23.830 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.945 -6.866 -23.972 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.861 -8.258 -24.051 1.00 0.00 H new ATOM 207 N ILE A 154 23.189 -7.917 -18.896 1.00 0.00 N ATOM 208 CA ILE A 154 24.137 -6.919 -18.402 1.00 0.00 C ATOM 209 C ILE A 154 25.010 -7.534 -17.307 1.00 0.00 C ATOM 210 O ILE A 154 26.237 -7.438 -17.366 1.00 0.00 O ATOM 211 CB ILE A 154 23.378 -5.686 -17.864 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.672 -4.947 -19.022 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.360 -4.738 -17.159 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.662 -4.079 -19.810 1.00 0.00 C ATOM 0 H ILE A 154 22.210 -7.678 -18.741 1.00 0.00 H new ATOM 0 HA ILE A 154 24.779 -6.596 -19.222 1.00 0.00 H new ATOM 0 HB ILE A 154 22.625 -6.018 -17.149 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.208 -5.672 -19.690 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.872 -4.322 -18.624 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.820 -3.870 -16.781 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.836 -5.259 -16.328 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.122 -4.412 -17.867 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.137 -3.571 -20.619 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.107 -3.339 -19.145 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.447 -4.710 -20.227 1.00 0.00 H new ATOM 226 N ILE A 155 24.377 -8.161 -16.307 1.00 0.00 N ATOM 227 CA ILE A 155 25.097 -8.771 -15.198 1.00 0.00 C ATOM 228 C ILE A 155 26.058 -9.832 -15.733 1.00 0.00 C ATOM 229 O ILE A 155 27.193 -9.908 -15.287 1.00 0.00 O ATOM 230 CB ILE A 155 24.105 -9.392 -14.196 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.184 -8.309 -13.615 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.886 -10.045 -13.047 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.881 -8.942 -13.125 1.00 0.00 C ATOM 0 H ILE A 155 23.363 -8.256 -16.250 1.00 0.00 H new ATOM 0 HA ILE A 155 25.672 -8.005 -14.677 1.00 0.00 H new ATOM 0 HB ILE A 155 23.502 -10.137 -14.716 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.683 -7.799 -12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.970 -7.556 -14.374 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.187 -10.485 -12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.537 -10.823 -13.446 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.490 -9.291 -12.542 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.233 -8.168 -12.714 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.378 -9.432 -13.959 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.102 -9.678 -12.352 1.00 0.00 H new ATOM 245 N TYR A 156 25.599 -10.649 -16.688 1.00 0.00 N ATOM 246 CA TYR A 156 26.423 -11.700 -17.268 1.00 0.00 C ATOM 247 C TYR A 156 27.647 -11.098 -17.956 1.00 0.00 C ATOM 248 O TYR A 156 28.771 -11.508 -17.680 1.00 0.00 O ATOM 249 CB TYR A 156 25.584 -12.513 -18.260 1.00 0.00 C ATOM 250 CG TYR A 156 26.400 -13.469 -19.111 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.403 -14.264 -18.522 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.156 -13.563 -20.493 1.00 0.00 C ATOM 253 CE1 TYR A 156 28.156 -15.147 -19.312 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.911 -14.448 -21.283 1.00 0.00 C ATOM 255 CZ TYR A 156 27.910 -15.239 -20.693 1.00 0.00 C ATOM 256 OH TYR A 156 28.642 -16.097 -21.460 1.00 0.00 O ATOM 0 H TYR A 156 24.656 -10.597 -17.073 1.00 0.00 H new ATOM 0 HA TYR A 156 26.776 -12.362 -16.477 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.835 -13.081 -17.708 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.046 -11.827 -18.914 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.593 -14.194 -17.461 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.388 -12.955 -20.948 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.924 -15.756 -18.859 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.722 -14.519 -22.344 1.00 0.00 H new ATOM 0 HH TYR A 156 28.344 -16.038 -22.392 1.00 0.00 H new ATOM 266 N GLN A 157 27.427 -10.132 -18.852 1.00 0.00 N ATOM 267 CA GLN A 157 28.509 -9.496 -19.587 1.00 0.00 C ATOM 268 C GLN A 157 29.539 -8.910 -18.617 1.00 0.00 C ATOM 269 O GLN A 157 30.738 -9.146 -18.766 1.00 0.00 O ATOM 270 CB GLN A 157 27.924 -8.402 -20.489 1.00 0.00 C ATOM 271 CG GLN A 157 29.028 -7.796 -21.361 1.00 0.00 C ATOM 272 CD GLN A 157 28.460 -6.738 -22.300 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.655 -5.546 -22.084 1.00 0.00 O ATOM 274 NE2 GLN A 157 27.756 -7.177 -23.344 1.00 0.00 N ATOM 0 H GLN A 157 26.500 -9.775 -19.083 1.00 0.00 H new ATOM 0 HA GLN A 157 29.017 -10.236 -20.205 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.139 -8.820 -21.120 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.463 -7.625 -19.880 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.795 -7.351 -20.727 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.511 -8.582 -21.942 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.620 -8.178 -23.483 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.353 -6.511 -24.004 1.00 0.00 H new ATOM 283 N ALA A 158 29.068 -8.145 -17.629 1.00 0.00 N ATOM 284 CA ALA A 158 29.943 -7.508 -16.658 1.00 0.00 C ATOM 285 C ALA A 158 30.685 -8.561 -15.829 1.00 0.00 C ATOM 286 O ALA A 158 31.909 -8.527 -15.748 1.00 0.00 O ATOM 287 CB ALA A 158 29.109 -6.590 -15.763 1.00 0.00 C ATOM 0 H ALA A 158 28.076 -7.954 -17.485 1.00 0.00 H new ATOM 0 HA ALA A 158 30.694 -6.913 -17.178 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.757 -6.108 -15.031 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.623 -5.829 -16.374 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.351 -7.178 -15.245 1.00 0.00 H new ATOM 293 N HIS A 159 29.939 -9.490 -15.216 1.00 0.00 N ATOM 294 CA HIS A 159 30.517 -10.543 -14.384 1.00 0.00 C ATOM 295 C HIS A 159 31.594 -11.304 -15.156 1.00 0.00 C ATOM 296 O HIS A 159 32.662 -11.579 -14.620 1.00 0.00 O ATOM 297 CB HIS A 159 29.401 -11.495 -13.924 1.00 0.00 C ATOM 298 CG HIS A 159 29.903 -12.609 -13.043 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.570 -13.722 -13.544 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.845 -12.815 -11.689 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.867 -14.505 -12.488 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.452 -14.007 -11.323 1.00 0.00 N ATOM 0 H HIS A 159 28.922 -9.529 -15.285 1.00 0.00 H new ATOM 0 HA HIS A 159 30.987 -10.095 -13.509 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.645 -10.925 -13.384 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.913 -11.923 -14.799 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.383 -12.132 -10.992 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.391 -15.445 -12.577 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.556 -14.406 -10.390 1.00 0.00 H new ATOM 310 N LYS A 160 31.309 -11.647 -16.414 1.00 0.00 N ATOM 311 CA LYS A 160 32.241 -12.391 -17.248 1.00 0.00 C ATOM 312 C LYS A 160 33.564 -11.630 -17.409 1.00 0.00 C ATOM 313 O LYS A 160 34.605 -12.252 -17.617 1.00 0.00 O ATOM 314 CB LYS A 160 31.587 -12.645 -18.613 1.00 0.00 C ATOM 315 CG LYS A 160 32.481 -13.548 -19.468 1.00 0.00 C ATOM 316 CD LYS A 160 31.750 -13.907 -20.766 1.00 0.00 C ATOM 317 CE LYS A 160 32.585 -14.900 -21.582 1.00 0.00 C ATOM 318 NZ LYS A 160 33.853 -14.294 -22.030 1.00 0.00 N ATOM 0 H LYS A 160 30.430 -11.416 -16.876 1.00 0.00 H new ATOM 0 HA LYS A 160 32.472 -13.344 -16.771 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.611 -13.112 -18.476 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.418 -11.698 -19.125 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.419 -13.041 -19.694 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.734 -14.454 -18.918 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.777 -14.340 -20.537 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.568 -13.006 -21.351 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.795 -15.783 -20.979 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.013 -15.234 -22.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 34.308 -14.916 -22.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.661 -13.369 -22.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 34.485 -14.169 -21.214 1.00 0.00 H new ATOM 332 N ARG A 161 33.525 -10.289 -17.322 1.00 0.00 N ATOM 333 CA ARG A 161 34.716 -9.462 -17.501 1.00 0.00 C ATOM 334 C ARG A 161 35.152 -8.810 -16.177 1.00 0.00 C ATOM 335 O ARG A 161 35.967 -7.885 -16.192 1.00 0.00 O ATOM 336 CB ARG A 161 34.409 -8.388 -18.553 1.00 0.00 C ATOM 337 CG ARG A 161 35.706 -7.928 -19.236 1.00 0.00 C ATOM 338 CD ARG A 161 35.717 -6.403 -19.359 1.00 0.00 C ATOM 339 NE ARG A 161 35.882 -5.777 -18.041 1.00 0.00 N ATOM 340 CZ ARG A 161 35.917 -4.447 -17.858 1.00 0.00 C ATOM 341 NH1 ARG A 161 35.767 -3.618 -18.900 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.103 -3.949 -16.629 1.00 0.00 N ATOM 0 H ARG A 161 32.675 -9.760 -17.128 1.00 0.00 H new ATOM 0 HA ARG A 161 35.541 -10.091 -17.836 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.718 -8.785 -19.297 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.916 -7.538 -18.082 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.569 -8.261 -18.659 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.788 -8.382 -20.224 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.527 -6.092 -20.019 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.787 -6.063 -19.815 1.00 0.00 H new ATOM 0 HE ARG A 161 35.975 -6.382 -17.225 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.626 -3.996 -19.837 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.794 -2.608 -18.757 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.218 -4.579 -15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.130 -2.939 -16.487 1.00 0.00 H new ATOM 356 N LEU A 162 34.618 -9.281 -15.036 1.00 0.00 N ATOM 357 CA LEU A 162 34.969 -8.724 -13.727 1.00 0.00 C ATOM 358 C LEU A 162 35.076 -9.841 -12.693 1.00 0.00 C ATOM 359 O LEU A 162 36.128 -10.030 -12.086 1.00 0.00 O ATOM 360 CB LEU A 162 33.897 -7.711 -13.283 1.00 0.00 C ATOM 361 CG LEU A 162 34.013 -6.396 -14.072 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.781 -5.534 -13.791 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.271 -5.631 -13.640 1.00 0.00 C ATOM 0 H LEU A 162 33.943 -10.045 -14.999 1.00 0.00 H new ATOM 0 HA LEU A 162 35.931 -8.219 -13.808 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.905 -8.139 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.003 -7.509 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 162 34.079 -6.621 -15.136 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.856 -4.600 -14.347 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.884 -6.070 -14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.724 -5.318 -12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.344 -4.702 -14.205 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.212 -5.405 -12.575 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.153 -6.242 -13.833 1.00 0.00 H new ATOM 375 N GLY A 163 33.972 -10.565 -12.490 1.00 0.00 N ATOM 376 CA GLY A 163 33.891 -11.630 -11.505 1.00 0.00 C ATOM 377 C GLY A 163 32.714 -11.349 -10.579 1.00 0.00 C ATOM 378 O GLY A 163 31.752 -10.703 -10.987 1.00 0.00 O ATOM 0 H GLY A 163 33.107 -10.422 -13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.762 -12.593 -11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.817 -11.687 -10.933 1.00 0.00 H new ATOM 382 N ASN A 164 32.790 -11.820 -9.330 1.00 0.00 N ATOM 383 CA ASN A 164 31.722 -11.597 -8.357 1.00 0.00 C ATOM 384 C ASN A 164 31.871 -10.211 -7.717 1.00 0.00 C ATOM 385 O ASN A 164 31.529 -10.026 -6.550 1.00 0.00 O ATOM 386 CB ASN A 164 31.769 -12.692 -7.284 1.00 0.00 C ATOM 387 CG ASN A 164 31.612 -14.078 -7.903 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.496 -14.555 -8.083 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.733 -14.725 -8.226 1.00 0.00 N ATOM 0 H ASN A 164 33.580 -12.357 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 164 30.758 -11.639 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.715 -12.636 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.976 -12.525 -6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.683 -15.656 -8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.640 -14.289 -8.058 1.00 0.00 H new ATOM 396 N ARG A 165 32.380 -9.234 -8.483 1.00 0.00 N ATOM 397 CA ARG A 165 32.569 -7.881 -7.989 1.00 0.00 C ATOM 398 C ARG A 165 31.276 -7.092 -8.166 1.00 0.00 C ATOM 399 O ARG A 165 31.223 -6.135 -8.942 1.00 0.00 O ATOM 400 CB ARG A 165 33.725 -7.214 -8.745 1.00 0.00 C ATOM 401 CG ARG A 165 35.064 -7.768 -8.248 1.00 0.00 C ATOM 402 CD ARG A 165 36.213 -6.894 -8.763 1.00 0.00 C ATOM 403 NE ARG A 165 36.146 -5.537 -8.193 1.00 0.00 N ATOM 404 CZ ARG A 165 37.105 -4.611 -8.378 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.210 -4.915 -9.072 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.956 -3.380 -7.869 1.00 0.00 N ATOM 0 H ARG A 165 32.667 -9.368 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 165 32.820 -7.904 -6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.622 -7.394 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.692 -6.134 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.075 -7.794 -7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.193 -8.794 -8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 165 37.167 -7.353 -8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.171 -6.837 -9.851 1.00 0.00 H new ATOM 0 HE ARG A 165 35.333 -5.287 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.326 -5.850 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.935 -4.211 -9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 165 36.116 -3.145 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.683 -2.679 -8.009 1.00 0.00 H new ATOM 420 N TRP A 166 30.228 -7.492 -7.438 1.00 0.00 N ATOM 421 CA TRP A 166 28.942 -6.814 -7.508 1.00 0.00 C ATOM 422 C TRP A 166 29.096 -5.370 -7.046 1.00 0.00 C ATOM 423 O TRP A 166 28.330 -4.512 -7.449 1.00 0.00 O ATOM 424 CB TRP A 166 27.912 -7.542 -6.650 1.00 0.00 C ATOM 425 CG TRP A 166 28.062 -9.024 -6.617 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.554 -9.712 -5.587 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.741 -10.020 -7.635 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.574 -11.059 -5.853 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.077 -11.312 -7.118 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.203 -9.975 -8.942 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.888 -12.484 -7.850 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.009 -11.160 -9.685 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.355 -12.409 -9.140 1.00 0.00 C ATOM 0 H TRP A 166 30.252 -8.283 -6.795 1.00 0.00 H new ATOM 0 HA TRP A 166 28.592 -6.819 -8.540 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.975 -7.162 -5.630 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.916 -7.300 -7.020 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.893 -9.268 -4.663 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.909 -11.774 -5.207 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.937 -9.023 -9.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.151 -13.441 -7.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.592 -11.106 -10.680 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.209 -13.310 -9.718 1.00 0.00 H new ATOM 444 N ALA A 167 30.099 -5.100 -6.201 1.00 0.00 N ATOM 445 CA ALA A 167 30.356 -3.753 -5.722 1.00 0.00 C ATOM 446 C ALA A 167 30.587 -2.807 -6.904 1.00 0.00 C ATOM 447 O ALA A 167 30.388 -1.602 -6.770 1.00 0.00 O ATOM 448 CB ALA A 167 31.575 -3.769 -4.799 1.00 0.00 C ATOM 0 H ALA A 167 30.742 -5.804 -5.839 1.00 0.00 H new ATOM 0 HA ALA A 167 29.491 -3.394 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.771 -2.760 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.381 -4.427 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.443 -4.132 -5.349 1.00 0.00 H new ATOM 454 N GLU A 168 31.000 -3.360 -8.060 1.00 0.00 N ATOM 455 CA GLU A 168 31.234 -2.578 -9.265 1.00 0.00 C ATOM 456 C GLU A 168 30.049 -2.742 -10.220 1.00 0.00 C ATOM 457 O GLU A 168 29.489 -1.756 -10.692 1.00 0.00 O ATOM 458 CB GLU A 168 32.532 -3.044 -9.951 1.00 0.00 C ATOM 459 CG GLU A 168 33.650 -3.285 -8.924 1.00 0.00 C ATOM 460 CD GLU A 168 34.016 -2.019 -8.159 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.698 -0.924 -8.667 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.620 -2.179 -7.073 1.00 0.00 O ATOM 0 H GLU A 168 31.177 -4.358 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 168 31.336 -1.526 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.343 -3.962 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.854 -2.294 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.333 -4.054 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.534 -3.666 -9.435 1.00 0.00 H new ATOM 469 N ILE A 169 29.675 -3.999 -10.505 1.00 0.00 N ATOM 470 CA ILE A 169 28.582 -4.306 -11.429 1.00 0.00 C ATOM 471 C ILE A 169 27.304 -3.577 -10.999 1.00 0.00 C ATOM 472 O ILE A 169 26.597 -3.009 -11.831 1.00 0.00 O ATOM 473 CB ILE A 169 28.347 -5.830 -11.461 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.622 -6.563 -11.916 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.206 -6.153 -12.431 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.632 -7.988 -11.356 1.00 0.00 C ATOM 0 H ILE A 169 30.121 -4.823 -10.102 1.00 0.00 H new ATOM 0 HA ILE A 169 28.851 -3.966 -12.429 1.00 0.00 H new ATOM 0 HB ILE A 169 28.086 -6.163 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.667 -6.591 -13.005 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.504 -6.022 -11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.041 -7.230 -12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.295 -5.653 -12.101 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.469 -5.806 -13.430 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.537 -8.501 -11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.608 -7.951 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.758 -8.528 -11.720 1.00 0.00 H new ATOM 488 N ALA A 170 27.014 -3.605 -9.695 1.00 0.00 N ATOM 489 CA ALA A 170 25.823 -2.981 -9.138 1.00 0.00 C ATOM 490 C ALA A 170 25.793 -1.478 -9.443 1.00 0.00 C ATOM 491 O ALA A 170 24.717 -0.904 -9.581 1.00 0.00 O ATOM 492 CB ALA A 170 25.788 -3.236 -7.625 1.00 0.00 C ATOM 0 H ALA A 170 27.603 -4.063 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 170 24.938 -3.420 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.899 -2.772 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.763 -4.309 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.678 -2.808 -7.163 1.00 0.00 H new ATOM 498 N LYS A 171 26.970 -0.842 -9.551 1.00 0.00 N ATOM 499 CA LYS A 171 27.048 0.589 -9.840 1.00 0.00 C ATOM 500 C LYS A 171 26.684 0.850 -11.303 1.00 0.00 C ATOM 501 O LYS A 171 26.045 1.853 -11.612 1.00 0.00 O ATOM 502 CB LYS A 171 28.461 1.111 -9.543 1.00 0.00 C ATOM 503 CG LYS A 171 28.873 0.768 -8.107 1.00 0.00 C ATOM 504 CD LYS A 171 27.977 1.508 -7.106 1.00 0.00 C ATOM 505 CE LYS A 171 28.597 1.442 -5.706 1.00 0.00 C ATOM 506 NZ LYS A 171 28.758 0.047 -5.256 1.00 0.00 N ATOM 0 H LYS A 171 27.875 -1.299 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 171 26.339 1.117 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.171 0.674 -10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.493 2.191 -9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.798 -0.308 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.915 1.043 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 171 27.856 2.547 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 171 26.983 1.061 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.567 1.939 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 171 27.966 1.983 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.116 0.036 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 27.839 -0.438 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 29.433 -0.443 -5.878 1.00 0.00 H new ATOM 520 N LEU A 172 27.094 -0.054 -12.203 1.00 0.00 N ATOM 521 CA LEU A 172 26.804 0.084 -13.626 1.00 0.00 C ATOM 522 C LEU A 172 25.305 -0.100 -13.870 1.00 0.00 C ATOM 523 O LEU A 172 24.743 0.507 -14.780 1.00 0.00 O ATOM 524 CB LEU A 172 27.607 -0.955 -14.423 1.00 0.00 C ATOM 525 CG LEU A 172 29.118 -0.777 -14.189 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.874 -1.890 -14.918 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.581 0.583 -14.722 1.00 0.00 C ATOM 0 H LEU A 172 27.629 -0.889 -11.964 1.00 0.00 H new ATOM 0 HA LEU A 172 27.093 1.081 -13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.305 -1.960 -14.127 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.385 -0.855 -15.486 1.00 0.00 H new ATOM 0 HG LEU A 172 29.321 -0.826 -13.119 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.945 -1.769 -14.756 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.556 -2.859 -14.533 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.660 -1.836 -15.986 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.651 0.696 -14.550 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.377 0.644 -15.791 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.045 1.378 -14.205 1.00 0.00 H new ATOM 539 N LEU A 173 24.665 -0.942 -13.053 1.00 0.00 N ATOM 540 CA LEU A 173 23.241 -1.213 -13.172 1.00 0.00 C ATOM 541 C LEU A 173 22.438 -0.072 -12.533 1.00 0.00 C ATOM 542 O LEU A 173 22.997 0.709 -11.765 1.00 0.00 O ATOM 543 CB LEU A 173 22.945 -2.543 -12.466 1.00 0.00 C ATOM 544 CG LEU A 173 23.363 -3.714 -13.363 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.629 -4.944 -12.500 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.247 -4.030 -14.365 1.00 0.00 C ATOM 0 H LEU A 173 25.123 -1.450 -12.296 1.00 0.00 H new ATOM 0 HA LEU A 173 22.953 -1.282 -14.221 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.482 -2.589 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.882 -2.613 -12.234 1.00 0.00 H new ATOM 0 HG LEU A 173 24.268 -3.442 -13.907 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.926 -5.778 -13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.428 -4.725 -11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.723 -5.209 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.552 -4.863 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.339 -4.298 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.056 -3.154 -14.985 1.00 0.00 H new ATOM 558 N PRO A 174 21.118 0.027 -12.847 1.00 0.00 N ATOM 559 CA PRO A 174 20.237 1.031 -12.262 1.00 0.00 C ATOM 560 C PRO A 174 20.107 0.818 -10.738 1.00 0.00 C ATOM 561 O PRO A 174 21.037 0.338 -10.100 1.00 0.00 O ATOM 562 CB PRO A 174 18.887 0.865 -12.991 1.00 0.00 C ATOM 563 CG PRO A 174 19.076 -0.232 -14.042 1.00 0.00 C ATOM 564 CD PRO A 174 20.451 -0.845 -13.798 1.00 0.00 C ATOM 0 HA PRO A 174 20.622 2.043 -12.385 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.100 0.593 -12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 174 18.585 1.801 -13.461 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.295 -0.988 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.010 0.182 -15.048 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.362 -1.857 -13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.017 -0.914 -14.727 1.00 0.00 H new ATOM 572 N GLY A 175 18.950 1.178 -10.156 1.00 0.00 N ATOM 573 CA GLY A 175 18.713 1.010 -8.726 1.00 0.00 C ATOM 574 C GLY A 175 18.642 -0.477 -8.362 1.00 0.00 C ATOM 575 O GLY A 175 17.559 -1.008 -8.118 1.00 0.00 O ATOM 0 H GLY A 175 18.166 1.588 -10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 175 19.511 1.491 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.782 1.503 -8.446 1.00 0.00 H new ATOM 579 N ARG A 176 19.806 -1.137 -8.328 1.00 0.00 N ATOM 580 CA ARG A 176 19.918 -2.548 -7.997 1.00 0.00 C ATOM 581 C ARG A 176 21.045 -2.716 -6.979 1.00 0.00 C ATOM 582 O ARG A 176 22.204 -2.455 -7.295 1.00 0.00 O ATOM 583 CB ARG A 176 20.235 -3.350 -9.268 1.00 0.00 C ATOM 584 CG ARG A 176 19.090 -3.251 -10.290 1.00 0.00 C ATOM 585 CD ARG A 176 17.863 -4.029 -9.797 1.00 0.00 C ATOM 586 NE ARG A 176 17.048 -4.488 -10.934 1.00 0.00 N ATOM 587 CZ ARG A 176 16.062 -5.394 -10.818 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.764 -5.927 -9.627 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.373 -5.769 -11.897 1.00 0.00 N ATOM 0 H ARG A 176 20.702 -0.694 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 176 18.981 -2.914 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.157 -2.979 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.405 -4.395 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.826 -2.206 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.417 -3.647 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.183 -4.885 -9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.262 -3.395 -9.144 1.00 0.00 H new ATOM 0 HE ARG A 176 17.241 -4.099 -11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.287 -5.646 -8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.014 -6.614 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.595 -5.368 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.624 -6.456 -11.811 1.00 0.00 H new ATOM 603 N THR A 177 20.709 -3.143 -5.759 1.00 0.00 N ATOM 604 CA THR A 177 21.701 -3.314 -4.706 1.00 0.00 C ATOM 605 C THR A 177 22.581 -4.527 -5.000 1.00 0.00 C ATOM 606 O THR A 177 22.154 -5.462 -5.685 1.00 0.00 O ATOM 607 CB THR A 177 20.992 -3.484 -3.357 1.00 0.00 C ATOM 608 OG1 THR A 177 20.136 -4.607 -3.409 1.00 0.00 O ATOM 609 CG2 THR A 177 20.172 -2.232 -3.036 1.00 0.00 C ATOM 0 H THR A 177 19.756 -3.376 -5.480 1.00 0.00 H new ATOM 0 HA THR A 177 22.337 -2.430 -4.666 1.00 0.00 H new ATOM 0 HB THR A 177 21.740 -3.632 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.685 -4.715 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.672 -2.361 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.833 -1.367 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.427 -2.076 -3.816 1.00 0.00 H new ATOM 617 N ASP A 178 23.812 -4.516 -4.469 1.00 0.00 N ATOM 618 CA ASP A 178 24.735 -5.627 -4.635 1.00 0.00 C ATOM 619 C ASP A 178 24.115 -6.895 -4.054 1.00 0.00 C ATOM 620 O ASP A 178 24.376 -7.992 -4.537 1.00 0.00 O ATOM 621 CB ASP A 178 26.059 -5.301 -3.934 1.00 0.00 C ATOM 622 CG ASP A 178 25.904 -5.345 -2.418 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.534 -4.293 -1.857 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.157 -6.436 -1.852 1.00 0.00 O ATOM 0 H ASP A 178 24.185 -3.742 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 178 24.933 -5.790 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.823 -6.013 -4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.401 -4.312 -4.239 1.00 0.00 H new ATOM 629 N ASN A 179 23.289 -6.735 -3.010 1.00 0.00 N ATOM 630 CA ASN A 179 22.622 -7.851 -2.365 1.00 0.00 C ATOM 631 C ASN A 179 21.611 -8.472 -3.322 1.00 0.00 C ATOM 632 O ASN A 179 21.566 -9.690 -3.468 1.00 0.00 O ATOM 633 CB ASN A 179 21.924 -7.361 -1.092 1.00 0.00 C ATOM 634 CG ASN A 179 22.906 -6.656 -0.164 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.894 -5.434 -0.062 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.757 -7.430 0.512 1.00 0.00 N ATOM 0 H ASN A 179 23.072 -5.828 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 179 23.356 -8.610 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.115 -6.679 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.472 -8.206 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.435 -7.009 1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.729 -8.443 0.394 1.00 0.00 H new ATOM 643 N ALA A 180 20.797 -7.628 -3.972 1.00 0.00 N ATOM 644 CA ALA A 180 19.781 -8.096 -4.902 1.00 0.00 C ATOM 645 C ALA A 180 20.428 -8.879 -6.043 1.00 0.00 C ATOM 646 O ALA A 180 20.014 -9.997 -6.333 1.00 0.00 O ATOM 647 CB ALA A 180 18.997 -6.900 -5.445 1.00 0.00 C ATOM 0 H ALA A 180 20.830 -6.614 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 180 19.094 -8.762 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.236 -7.250 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.518 -6.373 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.678 -6.223 -5.961 1.00 0.00 H new ATOM 653 N ILE A 181 21.441 -8.288 -6.689 1.00 0.00 N ATOM 654 CA ILE A 181 22.128 -8.925 -7.810 1.00 0.00 C ATOM 655 C ILE A 181 22.783 -10.228 -7.353 1.00 0.00 C ATOM 656 O ILE A 181 22.558 -11.280 -7.946 1.00 0.00 O ATOM 657 CB ILE A 181 23.184 -7.961 -8.374 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.497 -6.727 -8.971 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.994 -8.667 -9.470 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.449 -5.534 -8.931 1.00 0.00 C ATOM 0 H ILE A 181 21.802 -7.364 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 181 21.406 -9.161 -8.592 1.00 0.00 H new ATOM 0 HB ILE A 181 23.849 -7.652 -7.568 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.196 -6.929 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.590 -6.499 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.742 -7.981 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.491 -9.541 -9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.325 -8.980 -10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.955 -4.660 -9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.728 -5.326 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.344 -5.763 -9.510 1.00 0.00 H new ATOM 672 N LYS A 182 23.600 -10.143 -6.299 1.00 0.00 N ATOM 673 CA LYS A 182 24.317 -11.289 -5.756 1.00 0.00 C ATOM 674 C LYS A 182 23.353 -12.440 -5.461 1.00 0.00 C ATOM 675 O LYS A 182 23.608 -13.579 -5.854 1.00 0.00 O ATOM 676 CB LYS A 182 25.042 -10.824 -4.491 1.00 0.00 C ATOM 677 CG LYS A 182 25.689 -12.000 -3.759 1.00 0.00 C ATOM 678 CD LYS A 182 26.728 -11.481 -2.747 1.00 0.00 C ATOM 679 CE LYS A 182 26.129 -10.375 -1.854 1.00 0.00 C ATOM 680 NZ LYS A 182 26.284 -9.034 -2.466 1.00 0.00 N ATOM 0 H LYS A 182 23.780 -9.272 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 182 25.041 -11.667 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.806 -10.092 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.336 -10.323 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.926 -12.583 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.168 -12.666 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.078 -12.305 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.596 -11.093 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.072 -10.577 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.617 -10.389 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.329 -8.314 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.160 -9.007 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.472 -8.839 -3.086 1.00 0.00 H new ATOM 694 N ASN A 183 22.249 -12.142 -4.768 1.00 0.00 N ATOM 695 CA ASN A 183 21.260 -13.149 -4.415 1.00 0.00 C ATOM 696 C ASN A 183 20.632 -13.736 -5.677 1.00 0.00 C ATOM 697 O ASN A 183 20.644 -14.949 -5.864 1.00 0.00 O ATOM 698 CB ASN A 183 20.188 -12.516 -3.524 1.00 0.00 C ATOM 699 CG ASN A 183 19.081 -13.517 -3.212 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.190 -14.290 -2.267 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.013 -13.501 -4.012 1.00 0.00 N ATOM 0 H ASN A 183 22.023 -11.203 -4.441 1.00 0.00 H new ATOM 0 HA ASN A 183 21.744 -13.958 -3.868 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.640 -12.167 -2.596 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.765 -11.643 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.244 -14.150 -3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.966 -12.839 -4.787 1.00 0.00 H new ATOM 708 N HIS A 184 20.080 -12.869 -6.536 1.00 0.00 N ATOM 709 CA HIS A 184 19.427 -13.290 -7.770 1.00 0.00 C ATOM 710 C HIS A 184 20.330 -14.238 -8.555 1.00 0.00 C ATOM 711 O HIS A 184 19.908 -15.334 -8.911 1.00 0.00 O ATOM 712 CB HIS A 184 19.078 -12.048 -8.599 1.00 0.00 C ATOM 713 CG HIS A 184 19.048 -12.306 -10.084 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.256 -13.289 -10.670 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.712 -11.720 -11.130 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.489 -13.233 -11.998 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.371 -12.294 -12.343 1.00 0.00 N ATOM 0 H HIS A 184 20.077 -11.859 -6.390 1.00 0.00 H new ATOM 0 HA HIS A 184 18.510 -13.830 -7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.105 -11.672 -8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.806 -11.264 -8.389 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.416 -10.908 -11.021 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.008 -13.885 -12.712 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.712 -12.056 -13.275 1.00 0.00 H new ATOM 725 N TRP A 185 21.565 -13.812 -8.824 1.00 0.00 N ATOM 726 CA TRP A 185 22.515 -14.611 -9.578 1.00 0.00 C ATOM 727 C TRP A 185 22.668 -15.993 -8.949 1.00 0.00 C ATOM 728 O TRP A 185 22.494 -17.005 -9.625 1.00 0.00 O ATOM 729 CB TRP A 185 23.859 -13.886 -9.608 1.00 0.00 C ATOM 730 CG TRP A 185 24.938 -14.595 -10.364 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.693 -15.605 -9.897 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.410 -14.359 -11.722 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.602 -16.015 -10.841 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.477 -15.271 -11.997 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.053 -13.466 -12.755 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.154 -15.286 -13.217 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.730 -13.482 -13.992 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.781 -14.387 -14.220 1.00 0.00 C ATOM 0 H TRP A 185 21.928 -12.907 -8.524 1.00 0.00 H new ATOM 0 HA TRP A 185 22.151 -14.744 -10.597 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.714 -12.900 -10.049 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.195 -13.731 -8.583 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.597 -16.036 -8.911 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.278 -16.767 -10.706 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.251 -12.761 -12.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.959 -15.986 -13.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.438 -12.793 -14.771 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.299 -14.388 -15.168 1.00 0.00 H new ATOM 749 N ASN A 186 23.004 -16.035 -7.655 1.00 0.00 N ATOM 750 CA ASN A 186 23.228 -17.295 -6.962 1.00 0.00 C ATOM 751 C ASN A 186 21.934 -18.104 -6.833 1.00 0.00 C ATOM 752 O ASN A 186 21.990 -19.298 -6.549 1.00 0.00 O ATOM 753 CB ASN A 186 23.835 -17.025 -5.584 1.00 0.00 C ATOM 754 CG ASN A 186 25.339 -16.800 -5.694 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.114 -17.757 -5.666 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.750 -15.539 -5.823 1.00 0.00 N ATOM 0 H ASN A 186 23.125 -15.207 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 186 23.925 -17.890 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.363 -16.150 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.635 -17.867 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.746 -15.333 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.069 -14.780 -5.841 1.00 0.00 H new ATOM 763 N SER A 187 20.778 -17.464 -7.039 1.00 0.00 N ATOM 764 CA SER A 187 19.491 -18.139 -6.942 1.00 0.00 C ATOM 765 C SER A 187 18.891 -18.369 -8.331 1.00 0.00 C ATOM 766 O SER A 187 17.740 -18.789 -8.433 1.00 0.00 O ATOM 767 CB SER A 187 18.544 -17.289 -6.093 1.00 0.00 C ATOM 768 OG SER A 187 19.132 -17.035 -4.834 1.00 0.00 O ATOM 0 H SER A 187 20.714 -16.474 -7.275 1.00 0.00 H new ATOM 0 HA SER A 187 19.634 -19.112 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.329 -16.349 -6.601 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.593 -17.806 -5.963 1.00 0.00 H new ATOM 0 HG SER A 187 19.749 -16.277 -4.908 1.00 0.00 H new ATOM 774 N THR A 188 19.658 -18.093 -9.403 1.00 0.00 N ATOM 775 CA THR A 188 19.159 -18.258 -10.763 1.00 0.00 C ATOM 776 C THR A 188 20.271 -18.751 -11.696 1.00 0.00 C ATOM 777 O THR A 188 20.253 -19.906 -12.120 1.00 0.00 O ATOM 778 CB THR A 188 18.577 -16.921 -11.264 1.00 0.00 C ATOM 779 OG1 THR A 188 17.718 -16.375 -10.285 1.00 0.00 O ATOM 780 CG2 THR A 188 17.786 -17.154 -12.553 1.00 0.00 C ATOM 0 H THR A 188 20.619 -17.757 -9.344 1.00 0.00 H new ATOM 0 HA THR A 188 18.371 -19.011 -10.762 1.00 0.00 H new ATOM 0 HB THR A 188 19.396 -16.228 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 188 18.251 -15.921 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.376 -16.207 -12.904 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.446 -17.569 -13.315 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.972 -17.852 -12.359 1.00 0.00 H new ATOM 788 N MET A 189 21.227 -17.872 -12.028 1.00 0.00 N ATOM 789 CA MET A 189 22.289 -18.199 -12.970 1.00 0.00 C ATOM 790 C MET A 189 23.539 -18.688 -12.233 1.00 0.00 C ATOM 791 O MET A 189 24.538 -17.973 -12.155 1.00 0.00 O ATOM 792 CB MET A 189 22.596 -16.961 -13.822 1.00 0.00 C ATOM 793 CG MET A 189 21.337 -16.541 -14.594 1.00 0.00 C ATOM 794 SD MET A 189 21.657 -15.446 -16.003 1.00 0.00 S ATOM 795 CE MET A 189 22.319 -14.014 -15.119 1.00 0.00 C ATOM 0 H MET A 189 21.280 -16.925 -11.652 1.00 0.00 H new ATOM 0 HA MET A 189 21.962 -19.009 -13.621 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.934 -16.144 -13.185 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.406 -17.178 -14.518 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.829 -17.436 -14.953 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.654 -16.041 -13.908 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.734 -13.129 -15.370 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.265 -14.192 -14.045 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.358 -13.856 -15.409 1.00 0.00 H new ATOM 805 N ARG A 190 23.479 -19.918 -11.707 1.00 0.00 N ATOM 806 CA ARG A 190 24.610 -20.527 -11.011 1.00 0.00 C ATOM 807 C ARG A 190 25.434 -21.355 -11.995 1.00 0.00 C ATOM 808 O ARG A 190 25.010 -21.581 -13.128 1.00 0.00 O ATOM 809 CB ARG A 190 24.091 -21.415 -9.875 1.00 0.00 C ATOM 810 CG ARG A 190 23.757 -20.555 -8.654 1.00 0.00 C ATOM 811 CD ARG A 190 24.993 -20.394 -7.757 1.00 0.00 C ATOM 812 NE ARG A 190 25.406 -21.675 -7.171 1.00 0.00 N ATOM 813 CZ ARG A 190 26.286 -21.765 -6.157 1.00 0.00 C ATOM 814 NH1 ARG A 190 26.808 -20.654 -5.612 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.642 -22.968 -5.688 1.00 0.00 N ATOM 0 H ARG A 190 22.651 -20.511 -11.753 1.00 0.00 H new ATOM 0 HA ARG A 190 25.245 -19.747 -10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.204 -21.958 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.842 -22.160 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 190 23.404 -19.575 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.947 -21.015 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.815 -19.978 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.775 -19.682 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 190 25.008 -22.535 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 190 26.538 -19.737 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 190 27.475 -20.728 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.246 -23.813 -6.099 1.00 0.00 H new ATOM 0 HH22 ARG A 190 27.309 -23.039 -4.919 1.00 0.00 H new