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 HE2:sc= -0.313 K(o=0.45,f=-0.26) USER MOD Set 1.2: A 188 THR OG1 : rot 81:sc= 0.809 USER MOD Set 1.3: A 189 MET CE :methyl 132:sc= -0.0451 (180deg=-1.66) USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.583 K(o=-0.37,f=-3.7) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.208 X(o=-0.37,f=-0.64) USER MOD Set 3.1: A 156 TYR OH : rot 180:sc= 0.805 USER MOD Set 3.2: A 160 LYS NZ :NH3+ -138:sc= 0.917 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.04) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 179 ASN : amide:sc= 0 X(o=0,f=-0.00034) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 1.03 K(o=1,f=-4!) USER MOD Single : A 187 SER OG : rot 82:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.197 -10.048 -12.652 1.00 0.00 N ATOM 89 CA TRP A 147 14.270 -9.514 -13.490 1.00 0.00 C ATOM 90 C TRP A 147 13.830 -9.417 -14.961 1.00 0.00 C ATOM 91 O TRP A 147 12.668 -9.666 -15.287 1.00 0.00 O ATOM 92 CB TRP A 147 15.522 -10.385 -13.321 1.00 0.00 C ATOM 93 CG TRP A 147 16.326 -10.057 -12.105 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.231 -10.656 -10.908 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.353 -9.040 -11.947 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.117 -10.104 -10.013 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.850 -9.096 -10.609 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.918 -8.071 -12.797 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.862 -8.248 -10.151 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.936 -7.210 -12.340 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.413 -7.306 -11.027 1.00 0.00 C ATOM 0 HA TRP A 147 14.508 -8.499 -13.171 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.221 -11.432 -13.275 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.153 -10.273 -14.203 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.551 -11.463 -10.679 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.219 -10.399 -9.042 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.566 -7.986 -13.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.215 -8.319 -9.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.352 -6.470 -13.008 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.205 -6.654 -10.691 1.00 0.00 H new ATOM 112 N THR A 148 14.768 -9.038 -15.845 1.00 0.00 N ATOM 113 CA THR A 148 14.494 -8.903 -17.270 1.00 0.00 C ATOM 114 C THR A 148 15.665 -9.470 -18.070 1.00 0.00 C ATOM 115 O THR A 148 16.789 -9.532 -17.573 1.00 0.00 O ATOM 116 CB THR A 148 14.269 -7.425 -17.622 1.00 0.00 C ATOM 117 OG1 THR A 148 15.428 -6.681 -17.319 1.00 0.00 O ATOM 118 CG2 THR A 148 13.082 -6.866 -16.832 1.00 0.00 C ATOM 0 H THR A 148 15.730 -8.820 -15.586 1.00 0.00 H new ATOM 0 HA THR A 148 13.591 -9.460 -17.521 1.00 0.00 H new ATOM 0 HB THR A 148 14.054 -7.348 -18.688 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.468 -6.516 -16.354 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.934 -5.818 -17.091 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.183 -7.431 -17.078 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.283 -6.951 -15.764 1.00 0.00 H new ATOM 126 N GLU A 149 15.393 -9.882 -19.315 1.00 0.00 N ATOM 127 CA GLU A 149 16.407 -10.455 -20.189 1.00 0.00 C ATOM 128 C GLU A 149 17.598 -9.505 -20.317 1.00 0.00 C ATOM 129 O GLU A 149 18.742 -9.918 -20.143 1.00 0.00 O ATOM 130 CB GLU A 149 15.794 -10.729 -21.571 1.00 0.00 C ATOM 131 CG GLU A 149 14.642 -11.736 -21.458 1.00 0.00 C ATOM 132 CD GLU A 149 15.133 -13.076 -20.923 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.934 -13.713 -21.640 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.696 -13.437 -19.810 1.00 0.00 O ATOM 0 H GLU A 149 14.466 -9.825 -19.737 1.00 0.00 H new ATOM 0 HA GLU A 149 16.761 -11.392 -19.760 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.430 -9.798 -22.005 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.559 -11.116 -22.244 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.871 -11.338 -20.798 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.182 -11.878 -22.436 1.00 0.00 H new ATOM 141 N GLU A 150 17.324 -8.231 -20.626 1.00 0.00 N ATOM 142 CA GLU A 150 18.368 -7.232 -20.797 1.00 0.00 C ATOM 143 C GLU A 150 19.278 -7.204 -19.568 1.00 0.00 C ATOM 144 O GLU A 150 20.492 -7.342 -19.692 1.00 0.00 O ATOM 145 CB GLU A 150 17.718 -5.861 -21.034 1.00 0.00 C ATOM 146 CG GLU A 150 18.793 -4.805 -21.326 1.00 0.00 C ATOM 147 CD GLU A 150 19.574 -5.146 -22.591 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.923 -5.233 -23.654 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.807 -5.313 -22.470 1.00 0.00 O ATOM 0 H GLU A 150 16.378 -7.873 -20.762 1.00 0.00 H new ATOM 0 HA GLU A 150 18.983 -7.485 -21.661 1.00 0.00 H new ATOM 0 HB2 GLU A 150 17.021 -5.921 -21.870 1.00 0.00 H new ATOM 0 HB3 GLU A 150 17.140 -5.569 -20.157 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.325 -3.827 -21.437 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.478 -4.736 -20.481 1.00 0.00 H new ATOM 156 N GLU A 151 18.691 -7.024 -18.382 1.00 0.00 N ATOM 157 CA GLU A 151 19.456 -6.964 -17.147 1.00 0.00 C ATOM 158 C GLU A 151 20.308 -8.223 -16.979 1.00 0.00 C ATOM 159 O GLU A 151 21.493 -8.128 -16.669 1.00 0.00 O ATOM 160 CB GLU A 151 18.507 -6.812 -15.966 1.00 0.00 C ATOM 161 CG GLU A 151 17.947 -5.388 -15.914 1.00 0.00 C ATOM 162 CD GLU A 151 17.001 -5.226 -14.731 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.966 -5.932 -14.724 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.327 -4.405 -13.847 1.00 0.00 O ATOM 0 H GLU A 151 17.684 -6.918 -18.257 1.00 0.00 H new ATOM 0 HA GLU A 151 20.123 -6.103 -17.188 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.690 -7.528 -16.053 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.032 -7.038 -15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.765 -4.673 -15.833 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.420 -5.165 -16.841 1.00 0.00 H new ATOM 171 N ASP A 152 19.709 -9.403 -17.181 1.00 0.00 N ATOM 172 CA ASP A 152 20.432 -10.662 -17.048 1.00 0.00 C ATOM 173 C ASP A 152 21.657 -10.660 -17.965 1.00 0.00 C ATOM 174 O ASP A 152 22.729 -11.103 -17.560 1.00 0.00 O ATOM 175 CB ASP A 152 19.502 -11.836 -17.373 1.00 0.00 C ATOM 176 CG ASP A 152 18.775 -12.318 -16.120 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.010 -11.506 -15.557 1.00 0.00 O ATOM 178 OD2 ASP A 152 19.001 -13.491 -15.749 1.00 0.00 O ATOM 0 H ASP A 152 18.727 -9.506 -17.437 1.00 0.00 H new ATOM 0 HA ASP A 152 20.776 -10.775 -16.020 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.775 -11.532 -18.126 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.080 -12.655 -17.801 1.00 0.00 H new ATOM 183 N ARG A 153 21.503 -10.156 -19.198 1.00 0.00 N ATOM 184 CA ARG A 153 22.611 -10.092 -20.144 1.00 0.00 C ATOM 185 C ARG A 153 23.685 -9.126 -19.635 1.00 0.00 C ATOM 186 O ARG A 153 24.875 -9.406 -19.773 1.00 0.00 O ATOM 187 CB ARG A 153 22.101 -9.654 -21.526 1.00 0.00 C ATOM 188 CG ARG A 153 21.259 -10.768 -22.180 1.00 0.00 C ATOM 189 CD ARG A 153 22.084 -12.051 -22.373 1.00 0.00 C ATOM 190 NE ARG A 153 23.411 -11.760 -22.936 1.00 0.00 N ATOM 191 CZ ARG A 153 24.451 -12.608 -22.848 1.00 0.00 C ATOM 192 NH1 ARG A 153 24.291 -13.820 -22.298 1.00 0.00 N ATOM 193 NH2 ARG A 153 25.652 -12.240 -23.313 1.00 0.00 N ATOM 0 H ARG A 153 20.621 -9.789 -19.557 1.00 0.00 H new ATOM 0 HA ARG A 153 23.055 -11.083 -20.237 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.501 -8.750 -21.427 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.946 -9.407 -22.168 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.390 -10.982 -21.558 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.885 -10.425 -23.145 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.198 -12.559 -21.415 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.549 -12.733 -23.034 1.00 0.00 H new ATOM 0 HE ARG A 153 23.549 -10.871 -23.417 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.377 -14.103 -21.944 1.00 0.00 H new ATOM 0 HH12 ARG A 153 25.083 -14.459 -22.234 1.00 0.00 H new ATOM 0 HH21 ARG A 153 25.776 -11.319 -23.733 1.00 0.00 H new ATOM 0 HH22 ARG A 153 26.443 -12.881 -23.248 1.00 0.00 H new ATOM 207 N ILE A 154 23.274 -7.993 -19.045 1.00 0.00 N ATOM 208 CA ILE A 154 24.223 -7.018 -18.512 1.00 0.00 C ATOM 209 C ILE A 154 25.067 -7.680 -17.422 1.00 0.00 C ATOM 210 O ILE A 154 26.297 -7.614 -17.460 1.00 0.00 O ATOM 211 CB ILE A 154 23.470 -5.792 -17.951 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.774 -5.023 -19.095 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.453 -4.868 -17.220 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.777 -4.164 -19.876 1.00 0.00 C ATOM 0 H ILE A 154 22.294 -7.735 -18.928 1.00 0.00 H new ATOM 0 HA ILE A 154 24.880 -6.674 -19.311 1.00 0.00 H new ATOM 0 HB ILE A 154 22.711 -6.135 -17.248 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.292 -5.729 -19.771 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.989 -4.388 -18.685 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.917 -4.005 -16.826 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.920 -5.411 -16.398 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.222 -4.531 -17.916 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.258 -3.634 -20.675 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.239 -3.442 -19.203 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.547 -4.804 -20.306 1.00 0.00 H new ATOM 226 N ILE A 155 24.400 -8.318 -16.452 1.00 0.00 N ATOM 227 CA ILE A 155 25.083 -8.986 -15.353 1.00 0.00 C ATOM 228 C ILE A 155 25.973 -10.099 -15.904 1.00 0.00 C ATOM 229 O ILE A 155 27.090 -10.273 -15.444 1.00 0.00 O ATOM 230 CB ILE A 155 24.051 -9.550 -14.361 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.185 -8.411 -13.802 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.774 -10.253 -13.199 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.893 -8.980 -13.224 1.00 0.00 C ATOM 0 H ILE A 155 23.383 -8.382 -16.412 1.00 0.00 H new ATOM 0 HA ILE A 155 25.711 -8.269 -14.823 1.00 0.00 H new ATOM 0 HB ILE A 155 23.416 -10.266 -14.883 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.733 -7.871 -13.030 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.957 -7.695 -14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.038 -10.650 -12.500 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.382 -11.069 -13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.415 -9.538 -12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.283 -8.168 -12.829 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.342 -9.500 -14.008 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.130 -9.679 -12.422 1.00 0.00 H new ATOM 245 N TYR A 156 25.471 -10.851 -16.892 1.00 0.00 N ATOM 246 CA TYR A 156 26.226 -11.942 -17.496 1.00 0.00 C ATOM 247 C TYR A 156 27.545 -11.425 -18.067 1.00 0.00 C ATOM 248 O TYR A 156 28.610 -11.904 -17.693 1.00 0.00 O ATOM 249 CB TYR A 156 25.383 -12.604 -18.590 1.00 0.00 C ATOM 250 CG TYR A 156 26.061 -13.800 -19.221 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.914 -13.628 -20.328 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.843 -15.087 -18.698 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.547 -14.740 -20.906 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.476 -16.197 -19.278 1.00 0.00 C ATOM 255 CZ TYR A 156 27.330 -16.025 -20.381 1.00 0.00 C ATOM 256 OH TYR A 156 27.953 -17.102 -20.940 1.00 0.00 O ATOM 0 H TYR A 156 24.540 -10.718 -17.287 1.00 0.00 H new ATOM 0 HA TYR A 156 26.458 -12.684 -16.732 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.429 -12.917 -18.166 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.162 -11.869 -19.364 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.081 -12.641 -20.732 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.188 -15.221 -17.850 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.201 -14.607 -21.755 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.307 -17.185 -18.876 1.00 0.00 H new ATOM 0 HH TYR A 156 27.696 -17.915 -20.457 1.00 0.00 H new ATOM 266 N GLN A 157 27.467 -10.452 -18.978 1.00 0.00 N ATOM 267 CA GLN A 157 28.646 -9.900 -19.626 1.00 0.00 C ATOM 268 C GLN A 157 29.617 -9.331 -18.590 1.00 0.00 C ATOM 269 O GLN A 157 30.808 -9.638 -18.624 1.00 0.00 O ATOM 270 CB GLN A 157 28.203 -8.815 -20.615 1.00 0.00 C ATOM 271 CG GLN A 157 29.407 -8.312 -21.416 1.00 0.00 C ATOM 272 CD GLN A 157 28.965 -7.332 -22.497 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.021 -7.647 -23.682 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.525 -6.143 -22.086 1.00 0.00 N ATOM 0 H GLN A 157 26.589 -10.031 -19.282 1.00 0.00 H new ATOM 0 HA GLN A 157 29.170 -10.689 -20.165 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.447 -9.215 -21.291 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.743 -7.987 -20.076 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.118 -7.827 -20.747 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.924 -9.156 -21.873 1.00 0.00 H new ATOM 0 HE21 GLN A 157 28.497 -5.926 -21.090 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.217 -5.450 -22.768 1.00 0.00 H new ATOM 283 N ALA A 158 29.110 -8.496 -17.679 1.00 0.00 N ATOM 284 CA ALA A 158 29.940 -7.863 -16.667 1.00 0.00 C ATOM 285 C ALA A 158 30.603 -8.911 -15.771 1.00 0.00 C ATOM 286 O ALA A 158 31.816 -8.904 -15.610 1.00 0.00 O ATOM 287 CB ALA A 158 29.079 -6.911 -15.837 1.00 0.00 C ATOM 0 H ALA A 158 28.123 -8.246 -17.627 1.00 0.00 H new ATOM 0 HA ALA A 158 30.734 -7.299 -17.157 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.696 -6.433 -15.076 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.649 -6.149 -16.487 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.278 -7.471 -15.355 1.00 0.00 H new ATOM 293 N HIS A 159 29.802 -9.803 -15.184 1.00 0.00 N ATOM 294 CA HIS A 159 30.301 -10.822 -14.270 1.00 0.00 C ATOM 295 C HIS A 159 31.309 -11.743 -14.958 1.00 0.00 C ATOM 296 O HIS A 159 32.300 -12.132 -14.351 1.00 0.00 O ATOM 297 CB HIS A 159 29.126 -11.639 -13.729 1.00 0.00 C ATOM 298 CG HIS A 159 29.566 -12.692 -12.748 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.050 -13.933 -13.142 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.616 -12.714 -11.380 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.353 -14.608 -12.016 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.112 -13.918 -10.902 1.00 0.00 N ATOM 0 H HIS A 159 28.793 -9.836 -15.331 1.00 0.00 H new ATOM 0 HA HIS A 159 30.814 -10.325 -13.447 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.414 -10.970 -13.246 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.604 -12.115 -14.559 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.307 -11.893 -10.750 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.753 -15.611 -12.016 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.257 -14.205 -9.934 1.00 0.00 H new ATOM 310 N LYS A 160 31.057 -12.104 -16.216 1.00 0.00 N ATOM 311 CA LYS A 160 31.937 -13.011 -16.942 1.00 0.00 C ATOM 312 C LYS A 160 33.302 -12.357 -17.221 1.00 0.00 C ATOM 313 O LYS A 160 34.222 -13.039 -17.670 1.00 0.00 O ATOM 314 CB LYS A 160 31.244 -13.436 -18.244 1.00 0.00 C ATOM 315 CG LYS A 160 31.972 -14.632 -18.869 1.00 0.00 C ATOM 316 CD LYS A 160 31.015 -15.375 -19.807 1.00 0.00 C ATOM 317 CE LYS A 160 31.733 -16.570 -20.440 1.00 0.00 C ATOM 318 NZ LYS A 160 30.802 -17.378 -21.251 1.00 0.00 N ATOM 0 H LYS A 160 30.251 -11.781 -16.751 1.00 0.00 H new ATOM 0 HA LYS A 160 32.130 -13.894 -16.333 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.206 -13.699 -18.042 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.231 -12.602 -18.946 1.00 0.00 H new ATOM 0 HG2 LYS A 160 32.848 -14.291 -19.421 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.328 -15.304 -18.088 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.140 -15.716 -19.253 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.657 -14.701 -20.585 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.553 -16.217 -21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 160 32.173 -17.190 -19.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.983 -18.388 -21.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 29.823 -17.153 -20.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.943 -17.163 -22.259 1.00 0.00 H new ATOM 332 N ARG A 161 33.433 -11.044 -16.958 1.00 0.00 N ATOM 333 CA ARG A 161 34.681 -10.323 -17.195 1.00 0.00 C ATOM 334 C ARG A 161 35.314 -9.871 -15.872 1.00 0.00 C ATOM 335 O ARG A 161 36.521 -10.016 -15.686 1.00 0.00 O ATOM 336 CB ARG A 161 34.395 -9.106 -18.087 1.00 0.00 C ATOM 337 CG ARG A 161 33.952 -9.558 -19.489 1.00 0.00 C ATOM 338 CD ARG A 161 35.169 -9.959 -20.331 1.00 0.00 C ATOM 339 NE ARG A 161 36.035 -8.802 -20.594 1.00 0.00 N ATOM 340 CZ ARG A 161 37.228 -8.901 -21.205 1.00 0.00 C ATOM 341 NH1 ARG A 161 37.675 -10.094 -21.621 1.00 0.00 N ATOM 342 NH2 ARG A 161 37.972 -7.804 -21.400 1.00 0.00 N ATOM 0 H ARG A 161 32.683 -10.466 -16.580 1.00 0.00 H new ATOM 0 HA ARG A 161 35.386 -10.989 -17.693 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.618 -8.491 -17.634 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.288 -8.486 -18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.266 -10.401 -19.406 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.409 -8.752 -19.983 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.736 -10.731 -19.811 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.836 -10.390 -21.275 1.00 0.00 H new ATOM 0 HE ARG A 161 35.716 -7.879 -20.299 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.109 -10.930 -21.474 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.581 -10.166 -22.084 1.00 0.00 H new ATOM 0 HH21 ARG A 161 37.633 -6.895 -21.085 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.878 -7.878 -21.864 1.00 0.00 H new ATOM 356 N LEU A 162 34.503 -9.307 -14.967 1.00 0.00 N ATOM 357 CA LEU A 162 34.993 -8.766 -13.700 1.00 0.00 C ATOM 358 C LEU A 162 34.905 -9.804 -12.575 1.00 0.00 C ATOM 359 O LEU A 162 35.581 -9.661 -11.557 1.00 0.00 O ATOM 360 CB LEU A 162 34.169 -7.520 -13.331 1.00 0.00 C ATOM 361 CG LEU A 162 34.200 -6.487 -14.471 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.265 -5.327 -14.123 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.624 -5.952 -14.658 1.00 0.00 C ATOM 0 H LEU A 162 33.495 -9.215 -15.095 1.00 0.00 H new ATOM 0 HA LEU A 162 36.043 -8.498 -13.821 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.139 -7.808 -13.123 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.565 -7.074 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 162 33.875 -6.963 -15.396 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.283 -4.592 -14.927 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.250 -5.703 -13.998 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.596 -4.859 -13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.635 -5.222 -15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.958 -5.477 -13.736 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.293 -6.777 -14.904 1.00 0.00 H new ATOM 375 N GLY A 163 34.074 -10.836 -12.748 1.00 0.00 N ATOM 376 CA GLY A 163 33.892 -11.865 -11.733 1.00 0.00 C ATOM 377 C GLY A 163 32.761 -11.464 -10.791 1.00 0.00 C ATOM 378 O GLY A 163 31.810 -10.808 -11.211 1.00 0.00 O ATOM 0 H GLY A 163 33.515 -10.977 -13.590 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.663 -12.820 -12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.816 -12.002 -11.170 1.00 0.00 H new ATOM 382 N ASN A 164 32.865 -11.853 -9.512 1.00 0.00 N ATOM 383 CA ASN A 164 31.839 -11.541 -8.514 1.00 0.00 C ATOM 384 C ASN A 164 31.972 -10.086 -8.045 1.00 0.00 C ATOM 385 O ASN A 164 31.812 -9.799 -6.859 1.00 0.00 O ATOM 386 CB ASN A 164 31.974 -12.499 -7.322 1.00 0.00 C ATOM 387 CG ASN A 164 31.989 -13.957 -7.775 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.937 -14.564 -7.958 1.00 0.00 O ATOM 389 ND2 ASN A 164 33.186 -14.520 -7.952 1.00 0.00 N ATOM 0 H ASN A 164 33.654 -12.386 -9.146 1.00 0.00 H new ATOM 0 HA ASN A 164 30.855 -11.666 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.892 -12.277 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.146 -12.340 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.253 -15.493 -8.251 1.00 0.00 H new ATOM 0 HD22 ASN A 164 34.034 -13.977 -7.788 1.00 0.00 H new ATOM 396 N ARG A 165 32.263 -9.169 -8.976 1.00 0.00 N ATOM 397 CA ARG A 165 32.420 -7.761 -8.657 1.00 0.00 C ATOM 398 C ARG A 165 31.066 -7.069 -8.749 1.00 0.00 C ATOM 399 O ARG A 165 30.860 -6.210 -9.608 1.00 0.00 O ATOM 400 CB ARG A 165 33.421 -7.129 -9.632 1.00 0.00 C ATOM 401 CG ARG A 165 34.856 -7.537 -9.267 1.00 0.00 C ATOM 402 CD ARG A 165 35.382 -6.672 -8.111 1.00 0.00 C ATOM 403 NE ARG A 165 35.421 -5.245 -8.476 1.00 0.00 N ATOM 404 CZ ARG A 165 36.400 -4.696 -9.220 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.379 -5.462 -9.723 1.00 0.00 N ATOM 406 NH2 ARG A 165 36.396 -3.379 -9.459 1.00 0.00 N ATOM 0 H ARG A 165 32.394 -9.389 -9.963 1.00 0.00 H new ATOM 0 HA ARG A 165 32.801 -7.647 -7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.195 -7.444 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.327 -6.043 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.880 -8.589 -8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.504 -7.427 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.746 -6.807 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.382 -7.005 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 165 34.667 -4.641 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.385 -6.466 -9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.118 -5.041 -10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 165 35.653 -2.794 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 165 37.136 -2.961 -10.022 1.00 0.00 H new ATOM 420 N TRP A 166 30.139 -7.437 -7.856 1.00 0.00 N ATOM 421 CA TRP A 166 28.814 -6.834 -7.839 1.00 0.00 C ATOM 422 C TRP A 166 28.925 -5.347 -7.552 1.00 0.00 C ATOM 423 O TRP A 166 27.994 -4.621 -7.802 1.00 0.00 O ATOM 424 CB TRP A 166 27.929 -7.495 -6.786 1.00 0.00 C ATOM 425 CG TRP A 166 28.168 -8.945 -6.592 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.742 -9.482 -5.520 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.859 -10.058 -7.474 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.836 -10.847 -5.641 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.297 -11.265 -6.845 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.254 -10.178 -8.743 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.146 -12.518 -7.442 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.095 -11.442 -9.351 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.543 -12.608 -8.701 1.00 0.00 C ATOM 0 H TRP A 166 30.288 -8.148 -7.140 1.00 0.00 H new ATOM 0 HA TRP A 166 28.359 -6.983 -8.818 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.080 -6.986 -5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.886 -7.347 -7.065 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.089 -8.919 -4.666 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.246 -11.466 -4.941 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.908 -9.292 -9.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.491 -13.408 -6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.627 -11.515 -10.321 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.421 -13.571 -9.174 1.00 0.00 H new ATOM 444 N ALA A 167 30.067 -4.894 -7.028 1.00 0.00 N ATOM 445 CA ALA A 167 30.270 -3.486 -6.756 1.00 0.00 C ATOM 446 C ALA A 167 30.153 -2.697 -8.061 1.00 0.00 C ATOM 447 O ALA A 167 29.487 -1.667 -8.106 1.00 0.00 O ATOM 448 CB ALA A 167 31.648 -3.285 -6.123 1.00 0.00 C ATOM 0 H ALA A 167 30.859 -5.489 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 167 29.512 -3.126 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.803 -2.226 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.706 -3.848 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.418 -3.638 -6.809 1.00 0.00 H new ATOM 454 N GLU A 168 30.804 -3.191 -9.123 1.00 0.00 N ATOM 455 CA GLU A 168 30.798 -2.525 -10.417 1.00 0.00 C ATOM 456 C GLU A 168 29.427 -2.668 -11.074 1.00 0.00 C ATOM 457 O GLU A 168 28.879 -1.692 -11.582 1.00 0.00 O ATOM 458 CB GLU A 168 31.894 -3.123 -11.313 1.00 0.00 C ATOM 459 CG GLU A 168 33.245 -3.146 -10.578 1.00 0.00 C ATOM 460 CD GLU A 168 33.636 -1.767 -10.055 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.330 -0.776 -10.752 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.242 -1.730 -8.961 1.00 0.00 O ATOM 0 H GLU A 168 31.343 -4.057 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 168 31.002 -1.463 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.617 -4.135 -11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 168 31.982 -2.537 -12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.193 -3.848 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.019 -3.510 -11.254 1.00 0.00 H new ATOM 469 N ILE A 169 28.870 -3.884 -11.063 1.00 0.00 N ATOM 470 CA ILE A 169 27.556 -4.133 -11.652 1.00 0.00 C ATOM 471 C ILE A 169 26.519 -3.255 -10.944 1.00 0.00 C ATOM 472 O ILE A 169 25.680 -2.625 -11.586 1.00 0.00 O ATOM 473 CB ILE A 169 27.196 -5.624 -11.518 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.336 -6.499 -12.068 1.00 0.00 C ATOM 475 CG2 ILE A 169 25.911 -5.909 -12.305 1.00 0.00 C ATOM 476 CD1 ILE A 169 27.999 -7.980 -11.877 1.00 0.00 C ATOM 0 H ILE A 169 29.310 -4.708 -10.653 1.00 0.00 H new ATOM 0 HA ILE A 169 27.569 -3.882 -12.713 1.00 0.00 H new ATOM 0 HB ILE A 169 27.046 -5.859 -10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.491 -6.286 -13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.268 -6.261 -11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.654 -6.964 -12.212 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.098 -5.301 -11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.066 -5.665 -13.356 1.00 0.00 H new ATOM 0 HD11 ILE A 169 28.812 -8.592 -12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 169 27.867 -8.189 -10.815 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.078 -8.215 -12.410 1.00 0.00 H new ATOM 488 N ALA A 170 26.597 -3.221 -9.612 1.00 0.00 N ATOM 489 CA ALA A 170 25.701 -2.429 -8.783 1.00 0.00 C ATOM 490 C ALA A 170 25.887 -0.936 -9.084 1.00 0.00 C ATOM 491 O ALA A 170 24.913 -0.193 -9.127 1.00 0.00 O ATOM 492 CB ALA A 170 25.978 -2.736 -7.302 1.00 0.00 C ATOM 0 H ALA A 170 27.290 -3.747 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 170 24.666 -2.688 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.309 -2.145 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.810 -3.796 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.012 -2.485 -7.066 1.00 0.00 H new ATOM 498 N LYS A 171 27.136 -0.495 -9.301 1.00 0.00 N ATOM 499 CA LYS A 171 27.411 0.900 -9.633 1.00 0.00 C ATOM 500 C LYS A 171 26.732 1.253 -10.958 1.00 0.00 C ATOM 501 O LYS A 171 26.126 2.316 -11.082 1.00 0.00 O ATOM 502 CB LYS A 171 28.926 1.129 -9.731 1.00 0.00 C ATOM 503 CG LYS A 171 29.511 1.402 -8.340 1.00 0.00 C ATOM 504 CD LYS A 171 31.016 1.090 -8.327 1.00 0.00 C ATOM 505 CE LYS A 171 31.759 1.983 -9.327 1.00 0.00 C ATOM 506 NZ LYS A 171 33.180 1.603 -9.415 1.00 0.00 N ATOM 0 H LYS A 171 27.965 -1.087 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 171 27.014 1.544 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.406 0.254 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.132 1.971 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.346 2.444 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.999 0.792 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.417 1.245 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.178 0.041 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.295 1.900 -10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.675 3.026 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.746 2.434 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.502 1.247 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.297 0.860 -10.133 1.00 0.00 H new ATOM 520 N LEU A 172 26.837 0.355 -11.948 1.00 0.00 N ATOM 521 CA LEU A 172 26.235 0.568 -13.259 1.00 0.00 C ATOM 522 C LEU A 172 24.708 0.574 -13.144 1.00 0.00 C ATOM 523 O LEU A 172 24.042 1.332 -13.848 1.00 0.00 O ATOM 524 CB LEU A 172 26.698 -0.536 -14.220 1.00 0.00 C ATOM 525 CG LEU A 172 28.186 -0.355 -14.562 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.748 -1.675 -15.097 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.349 0.733 -15.629 1.00 0.00 C ATOM 0 H LEU A 172 27.338 -0.529 -11.858 1.00 0.00 H new ATOM 0 HA LEU A 172 26.552 1.535 -13.650 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.538 -1.514 -13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.102 -0.507 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 172 28.726 -0.060 -13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.803 -1.549 -15.340 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.640 -2.450 -14.338 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.201 -1.966 -15.994 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.406 0.855 -15.866 1.00 0.00 H new ATOM 0 HD22 LEU A 172 27.807 0.444 -16.529 1.00 0.00 H new ATOM 0 HD23 LEU A 172 27.950 1.675 -15.252 1.00 0.00 H new ATOM 539 N LEU A 173 24.159 -0.271 -12.257 1.00 0.00 N ATOM 540 CA LEU A 173 22.718 -0.362 -12.040 1.00 0.00 C ATOM 541 C LEU A 173 22.400 -0.022 -10.577 1.00 0.00 C ATOM 542 O LEU A 173 22.222 -0.928 -9.770 1.00 0.00 O ATOM 543 CB LEU A 173 22.244 -1.788 -12.368 1.00 0.00 C ATOM 544 CG LEU A 173 22.504 -2.128 -13.846 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.215 -3.613 -14.076 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.594 -1.290 -14.751 1.00 0.00 C ATOM 0 H LEU A 173 24.705 -0.906 -11.675 1.00 0.00 H new ATOM 0 HA LEU A 173 22.200 0.344 -12.689 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.762 -2.503 -11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.180 -1.880 -12.151 1.00 0.00 H new ATOM 0 HG LEU A 173 23.544 -1.906 -14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.397 -3.861 -15.122 1.00 0.00 H new ATOM 0 HD12 LEU A 173 22.867 -4.213 -13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.174 -3.824 -13.829 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.788 -1.540 -15.794 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.551 -1.502 -14.515 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.795 -0.231 -14.589 1.00 0.00 H new ATOM 558 N PRO A 174 22.330 1.283 -10.227 1.00 0.00 N ATOM 559 CA PRO A 174 22.068 1.719 -8.864 1.00 0.00 C ATOM 560 C PRO A 174 20.780 1.103 -8.311 1.00 0.00 C ATOM 561 O PRO A 174 20.711 0.776 -7.128 1.00 0.00 O ATOM 562 CB PRO A 174 21.976 3.247 -8.922 1.00 0.00 C ATOM 563 CG PRO A 174 22.319 3.662 -10.358 1.00 0.00 C ATOM 564 CD PRO A 174 22.514 2.376 -11.160 1.00 0.00 C ATOM 0 HA PRO A 174 22.861 1.394 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.975 3.584 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.668 3.702 -8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.519 4.266 -10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.223 4.270 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.795 2.315 -11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.508 2.343 -11.606 1.00 0.00 H new ATOM 572 N GLY A 175 19.762 0.946 -9.168 1.00 0.00 N ATOM 573 CA GLY A 175 18.489 0.368 -8.760 1.00 0.00 C ATOM 574 C GLY A 175 18.680 -1.061 -8.241 1.00 0.00 C ATOM 575 O GLY A 175 17.897 -1.529 -7.416 1.00 0.00 O ATOM 0 H GLY A 175 19.803 1.215 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.037 0.984 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.799 0.364 -9.604 1.00 0.00 H new ATOM 579 N ARG A 176 19.722 -1.748 -8.729 1.00 0.00 N ATOM 580 CA ARG A 176 20.018 -3.114 -8.330 1.00 0.00 C ATOM 581 C ARG A 176 21.193 -3.110 -7.350 1.00 0.00 C ATOM 582 O ARG A 176 22.337 -2.917 -7.754 1.00 0.00 O ATOM 583 CB ARG A 176 20.363 -3.942 -9.574 1.00 0.00 C ATOM 584 CG ARG A 176 19.238 -3.856 -10.618 1.00 0.00 C ATOM 585 CD ARG A 176 17.950 -4.478 -10.068 1.00 0.00 C ATOM 586 NE ARG A 176 17.060 -4.878 -11.167 1.00 0.00 N ATOM 587 CZ ARG A 176 15.930 -5.579 -10.982 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.517 -5.879 -9.743 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.213 -5.979 -12.040 1.00 0.00 N ATOM 0 H ARG A 176 20.378 -1.365 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 176 19.150 -3.556 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.296 -3.582 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.523 -4.982 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.061 -2.814 -10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.539 -4.373 -11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.192 -5.346 -9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.441 -3.763 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 176 17.313 -4.610 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.062 -5.575 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.658 -6.412 -9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.526 -5.751 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.354 -6.512 -11.902 1.00 0.00 H new ATOM 603 N THR A 177 20.913 -3.322 -6.061 1.00 0.00 N ATOM 604 CA THR A 177 21.953 -3.328 -5.041 1.00 0.00 C ATOM 605 C THR A 177 22.878 -4.530 -5.239 1.00 0.00 C ATOM 606 O THR A 177 22.500 -5.516 -5.874 1.00 0.00 O ATOM 607 CB THR A 177 21.312 -3.368 -3.649 1.00 0.00 C ATOM 608 OG1 THR A 177 20.510 -4.524 -3.528 1.00 0.00 O ATOM 609 CG2 THR A 177 20.448 -2.122 -3.437 1.00 0.00 C ATOM 0 H THR A 177 19.973 -3.491 -5.704 1.00 0.00 H new ATOM 0 HA THR A 177 22.547 -2.418 -5.129 1.00 0.00 H new ATOM 0 HB THR A 177 22.099 -3.392 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.103 -4.548 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.996 -2.157 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.069 -1.230 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.663 -2.090 -4.193 1.00 0.00 H new ATOM 617 N ASP A 178 24.092 -4.444 -4.683 1.00 0.00 N ATOM 618 CA ASP A 178 25.067 -5.519 -4.774 1.00 0.00 C ATOM 619 C ASP A 178 24.475 -6.804 -4.196 1.00 0.00 C ATOM 620 O ASP A 178 24.631 -7.876 -4.776 1.00 0.00 O ATOM 621 CB ASP A 178 26.341 -5.113 -4.018 1.00 0.00 C ATOM 622 CG ASP A 178 26.075 -4.941 -2.524 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.223 -4.086 -2.192 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.725 -5.670 -1.745 1.00 0.00 O ATOM 0 H ASP A 178 24.418 -3.630 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 178 25.323 -5.701 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.110 -5.871 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.728 -4.181 -4.429 1.00 0.00 H new ATOM 629 N ASN A 179 23.790 -6.687 -3.052 1.00 0.00 N ATOM 630 CA ASN A 179 23.171 -7.825 -2.397 1.00 0.00 C ATOM 631 C ASN A 179 22.107 -8.444 -3.303 1.00 0.00 C ATOM 632 O ASN A 179 22.050 -9.664 -3.444 1.00 0.00 O ATOM 633 CB ASN A 179 22.550 -7.368 -1.075 1.00 0.00 C ATOM 634 CG ASN A 179 21.844 -8.526 -0.378 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.625 -8.650 -0.457 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.612 -9.375 0.304 1.00 0.00 N ATOM 0 H ASN A 179 23.655 -5.802 -2.564 1.00 0.00 H new ATOM 0 HA ASN A 179 23.927 -8.584 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.326 -6.965 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.840 -6.563 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 179 22.191 -10.168 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.621 -9.232 0.342 1.00 0.00 H new ATOM 643 N ALA A 180 21.263 -7.601 -3.914 1.00 0.00 N ATOM 644 CA ALA A 180 20.197 -8.075 -4.785 1.00 0.00 C ATOM 645 C ALA A 180 20.779 -8.855 -5.962 1.00 0.00 C ATOM 646 O ALA A 180 20.330 -9.963 -6.248 1.00 0.00 O ATOM 647 CB ALA A 180 19.374 -6.885 -5.282 1.00 0.00 C ATOM 0 H ALA A 180 21.304 -6.587 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 180 19.547 -8.745 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.576 -7.241 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.940 -6.362 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.019 -6.203 -5.837 1.00 0.00 H new ATOM 653 N ILE A 181 21.776 -8.278 -6.647 1.00 0.00 N ATOM 654 CA ILE A 181 22.394 -8.925 -7.800 1.00 0.00 C ATOM 655 C ILE A 181 23.056 -10.233 -7.368 1.00 0.00 C ATOM 656 O ILE A 181 22.858 -11.265 -8.004 1.00 0.00 O ATOM 657 CB ILE A 181 23.430 -7.989 -8.443 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.754 -6.697 -8.926 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.068 -8.699 -9.644 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.791 -5.577 -9.032 1.00 0.00 C ATOM 0 H ILE A 181 22.168 -7.364 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 181 21.623 -9.146 -8.538 1.00 0.00 H new ATOM 0 HB ILE A 181 24.190 -7.738 -7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.284 -6.862 -9.895 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.963 -6.409 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.804 -8.042 -10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.558 -9.613 -9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.296 -8.947 -10.372 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.306 -4.663 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.241 -5.404 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.566 -5.865 -9.742 1.00 0.00 H new ATOM 672 N LYS A 182 23.847 -10.183 -6.289 1.00 0.00 N ATOM 673 CA LYS A 182 24.548 -11.352 -5.781 1.00 0.00 C ATOM 674 C LYS A 182 23.556 -12.488 -5.518 1.00 0.00 C ATOM 675 O LYS A 182 23.746 -13.602 -6.005 1.00 0.00 O ATOM 676 CB LYS A 182 25.297 -10.964 -4.499 1.00 0.00 C ATOM 677 CG LYS A 182 26.126 -12.147 -3.993 1.00 0.00 C ATOM 678 CD LYS A 182 26.921 -11.722 -2.756 1.00 0.00 C ATOM 679 CE LYS A 182 27.780 -12.891 -2.269 1.00 0.00 C ATOM 680 NZ LYS A 182 28.522 -12.530 -1.047 1.00 0.00 N ATOM 0 H LYS A 182 24.014 -9.332 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 182 25.268 -11.705 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.947 -10.111 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.586 -10.655 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.473 -12.984 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.804 -12.490 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.554 -10.867 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 182 26.241 -11.404 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.146 -13.755 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.481 -13.182 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 29.096 -13.340 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 29.144 -11.720 -1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.850 -12.275 -0.295 1.00 0.00 H new ATOM 694 N ASN A 183 22.501 -12.201 -4.746 1.00 0.00 N ATOM 695 CA ASN A 183 21.489 -13.193 -4.416 1.00 0.00 C ATOM 696 C ASN A 183 20.866 -13.752 -5.694 1.00 0.00 C ATOM 697 O ASN A 183 20.852 -14.962 -5.897 1.00 0.00 O ATOM 698 CB ASN A 183 20.418 -12.548 -3.532 1.00 0.00 C ATOM 699 CG ASN A 183 19.251 -13.503 -3.308 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.180 -13.321 -3.881 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.459 -14.521 -2.474 1.00 0.00 N ATOM 0 H ASN A 183 22.332 -11.281 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 183 21.950 -14.018 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.853 -12.267 -2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.059 -11.631 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.711 -15.190 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.366 -14.632 -2.021 1.00 0.00 H new ATOM 708 N HIS A 184 20.351 -12.862 -6.549 1.00 0.00 N ATOM 709 CA HIS A 184 19.715 -13.252 -7.800 1.00 0.00 C ATOM 710 C HIS A 184 20.611 -14.206 -8.585 1.00 0.00 C ATOM 711 O HIS A 184 20.171 -15.285 -8.971 1.00 0.00 O ATOM 712 CB HIS A 184 19.413 -11.990 -8.614 1.00 0.00 C ATOM 713 CG HIS A 184 19.384 -12.229 -10.103 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.581 -13.193 -10.706 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.060 -11.638 -11.138 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.821 -13.121 -12.033 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.716 -12.189 -12.360 1.00 0.00 N ATOM 0 H HIS A 184 20.366 -11.855 -6.389 1.00 0.00 H new ATOM 0 HA HIS A 184 18.784 -13.778 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.451 -11.586 -8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.165 -11.234 -8.390 1.00 0.00 H new ATOM 0 HD1 HIS A 184 17.937 -13.830 -10.237 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.775 -10.838 -11.015 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.335 -13.757 -12.759 1.00 0.00 H new ATOM 725 N TRP A 185 21.861 -13.803 -8.825 1.00 0.00 N ATOM 726 CA TRP A 185 22.799 -14.611 -9.584 1.00 0.00 C ATOM 727 C TRP A 185 22.940 -15.996 -8.957 1.00 0.00 C ATOM 728 O TRP A 185 22.785 -17.004 -9.640 1.00 0.00 O ATOM 729 CB TRP A 185 24.156 -13.908 -9.634 1.00 0.00 C ATOM 730 CG TRP A 185 25.211 -14.681 -10.360 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.902 -15.713 -9.860 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.697 -14.518 -11.720 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.773 -16.222 -10.789 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.694 -15.511 -11.970 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.397 -13.637 -12.774 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.353 -15.618 -13.197 1.00 0.00 C ATOM 737 CZ3 TRP A 185 26.055 -13.740 -14.014 1.00 0.00 C ATOM 738 CH2 TRP A 185 27.031 -14.727 -14.226 1.00 0.00 C ATOM 0 H TRP A 185 22.242 -12.915 -8.499 1.00 0.00 H new ATOM 0 HA TRP A 185 22.423 -14.734 -10.600 1.00 0.00 H new ATOM 0 HB2 TRP A 185 24.034 -12.938 -10.115 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.494 -13.719 -8.615 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.788 -16.095 -8.856 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.393 -17.016 -10.630 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.651 -12.870 -12.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 28.103 -16.380 -13.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.807 -13.053 -14.810 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.531 -14.798 -15.180 1.00 0.00 H new ATOM 749 N ASN A 186 23.242 -16.046 -7.658 1.00 0.00 N ATOM 750 CA ASN A 186 23.443 -17.310 -6.963 1.00 0.00 C ATOM 751 C ASN A 186 22.160 -18.147 -6.961 1.00 0.00 C ATOM 752 O ASN A 186 22.226 -19.369 -6.831 1.00 0.00 O ATOM 753 CB ASN A 186 23.921 -17.035 -5.534 1.00 0.00 C ATOM 754 CG ASN A 186 25.425 -16.772 -5.509 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.211 -17.680 -5.252 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.826 -15.530 -5.779 1.00 0.00 N ATOM 0 H ASN A 186 23.352 -15.221 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 186 24.205 -17.886 -7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.390 -16.175 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.685 -17.887 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.821 -15.303 -5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.138 -14.806 -5.987 1.00 0.00 H new ATOM 763 N SER A 187 20.999 -17.501 -7.104 1.00 0.00 N ATOM 764 CA SER A 187 19.721 -18.199 -7.120 1.00 0.00 C ATOM 765 C SER A 187 19.214 -18.384 -8.556 1.00 0.00 C ATOM 766 O SER A 187 18.085 -18.830 -8.747 1.00 0.00 O ATOM 767 CB SER A 187 18.709 -17.399 -6.297 1.00 0.00 C ATOM 768 OG SER A 187 19.152 -17.307 -4.959 1.00 0.00 O ATOM 0 H SER A 187 20.924 -16.489 -7.211 1.00 0.00 H new ATOM 0 HA SER A 187 19.849 -19.190 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.589 -16.402 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.732 -17.881 -6.335 1.00 0.00 H new ATOM 0 HG SER A 187 19.804 -16.580 -4.880 1.00 0.00 H new ATOM 774 N THR A 188 20.036 -18.043 -9.569 1.00 0.00 N ATOM 775 CA THR A 188 19.622 -18.165 -10.964 1.00 0.00 C ATOM 776 C THR A 188 20.802 -18.580 -11.852 1.00 0.00 C ATOM 777 O THR A 188 20.854 -19.718 -12.322 1.00 0.00 O ATOM 778 CB THR A 188 19.022 -16.828 -11.443 1.00 0.00 C ATOM 779 OG1 THR A 188 18.092 -16.353 -10.493 1.00 0.00 O ATOM 780 CG2 THR A 188 18.312 -17.032 -12.784 1.00 0.00 C ATOM 0 H THR A 188 20.982 -17.684 -9.439 1.00 0.00 H new ATOM 0 HA THR A 188 18.863 -18.943 -11.039 1.00 0.00 H new ATOM 0 HB THR A 188 19.825 -16.101 -11.561 1.00 0.00 H new ATOM 0 HG1 THR A 188 18.569 -15.906 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.889 -16.085 -13.120 1.00 0.00 H new ATOM 0 HG22 THR A 188 19.027 -17.392 -13.523 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.513 -17.764 -12.665 1.00 0.00 H new ATOM 788 N MET A 189 21.741 -17.655 -12.096 1.00 0.00 N ATOM 789 CA MET A 189 22.864 -17.905 -12.990 1.00 0.00 C ATOM 790 C MET A 189 24.061 -18.487 -12.232 1.00 0.00 C ATOM 791 O MET A 189 25.207 -18.155 -12.533 1.00 0.00 O ATOM 792 CB MET A 189 23.247 -16.596 -13.689 1.00 0.00 C ATOM 793 CG MET A 189 22.145 -16.188 -14.672 1.00 0.00 C ATOM 794 SD MET A 189 22.573 -14.756 -15.692 1.00 0.00 S ATOM 795 CE MET A 189 22.351 -13.458 -14.455 1.00 0.00 C ATOM 0 H MET A 189 21.738 -16.724 -11.680 1.00 0.00 H new ATOM 0 HA MET A 189 22.566 -18.643 -13.735 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.397 -15.809 -12.950 1.00 0.00 H new ATOM 0 HB3 MET A 189 24.192 -16.719 -14.219 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.921 -17.033 -15.323 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.236 -15.966 -14.113 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.216 -12.794 -14.465 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.452 -12.886 -14.685 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.251 -13.909 -13.468 1.00 0.00 H new ATOM 805 N ARG A 190 23.805 -19.371 -11.260 1.00 0.00 N ATOM 806 CA ARG A 190 24.875 -20.024 -10.514 1.00 0.00 C ATOM 807 C ARG A 190 25.727 -20.857 -11.483 1.00 0.00 C ATOM 808 O ARG A 190 26.901 -21.107 -11.225 1.00 0.00 O ATOM 809 CB ARG A 190 24.258 -20.909 -9.418 1.00 0.00 C ATOM 810 CG ARG A 190 25.355 -21.513 -8.519 1.00 0.00 C ATOM 811 CD ARG A 190 25.731 -20.543 -7.395 1.00 0.00 C ATOM 812 NE ARG A 190 24.665 -20.480 -6.380 1.00 0.00 N ATOM 813 CZ ARG A 190 24.880 -20.559 -5.050 1.00 0.00 C ATOM 814 NH1 ARG A 190 26.126 -20.554 -4.551 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.834 -20.640 -4.219 1.00 0.00 N ATOM 0 H ARG A 190 22.865 -19.647 -10.976 1.00 0.00 H new ATOM 0 HA ARG A 190 25.517 -19.282 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.570 -20.319 -8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.675 -21.709 -9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.005 -22.453 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 190 26.237 -21.743 -9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 190 26.664 -20.862 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 190 25.905 -19.550 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 190 23.704 -20.370 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 190 26.927 -20.490 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 190 26.272 -20.614 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 190 22.885 -20.642 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 190 23.986 -20.700 -3.212 1.00 0.00 H new