USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 146 TYR OH : rot -82:sc= 0.133 USER MOD Single : A 151 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.13) USER MOD Single : A 156 LYS NZ :NH3+ 141:sc= -0.477 (180deg=-2.1!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.506 K(o=-0.51,f=-4.1!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -92:sc= 0.235 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 164:sc= -9.79! (180deg=-10.2!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.03! C(o=-9.6!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.748 -2.934 -6.752 1.00 0.00 N ATOM 41 CA TYR A 146 4.386 -3.291 -6.261 1.00 0.00 C ATOM 42 C TYR A 146 3.413 -2.150 -6.564 1.00 0.00 C ATOM 43 O TYR A 146 3.790 -0.997 -6.628 1.00 0.00 O ATOM 44 CB TYR A 146 4.433 -3.523 -4.751 1.00 0.00 C ATOM 45 CG TYR A 146 5.114 -4.835 -4.455 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.805 -5.970 -5.214 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.045 -4.919 -3.412 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.429 -7.190 -4.933 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.666 -6.139 -3.128 1.00 0.00 C ATOM 50 CZ TYR A 146 6.360 -7.276 -3.888 1.00 0.00 C ATOM 51 OH TYR A 146 6.974 -8.480 -3.607 1.00 0.00 O ATOM 0 HA TYR A 146 4.050 -4.199 -6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.969 -2.707 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.422 -3.528 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.085 -5.904 -6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.283 -4.042 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.194 -8.065 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.382 -6.205 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 146 6.380 -9.028 -3.053 1.00 0.00 H new ATOM 61 N ARG A 147 2.160 -2.466 -6.746 1.00 0.00 N ATOM 62 CA ARG A 147 1.157 -1.404 -7.042 1.00 0.00 C ATOM 63 C ARG A 147 0.799 -0.664 -5.753 1.00 0.00 C ATOM 64 O ARG A 147 -0.170 -0.980 -5.093 1.00 0.00 O ATOM 65 CB ARG A 147 -0.102 -2.044 -7.628 1.00 0.00 C ATOM 66 CG ARG A 147 0.198 -2.561 -9.034 1.00 0.00 C ATOM 67 CD ARG A 147 -0.462 -1.645 -10.064 1.00 0.00 C ATOM 68 NE ARG A 147 -1.865 -2.089 -10.295 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.258 -2.405 -11.498 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.725 -1.484 -12.295 1.00 0.00 N ATOM 71 NH2 ARG A 147 -2.182 -3.643 -11.904 1.00 0.00 N ATOM 0 H ARG A 147 1.787 -3.414 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 147 1.576 -0.699 -7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.437 -2.863 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.912 -1.315 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.275 -2.595 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.174 -3.579 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.449 -0.614 -9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.097 -1.669 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.518 -2.146 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.783 -0.516 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.032 -1.731 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.816 -4.363 -11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.489 -3.891 -12.845 1.00 0.00 H new ATOM 85 N GLY A 148 1.571 0.324 -5.391 1.00 0.00 N ATOM 86 CA GLY A 148 1.270 1.084 -4.146 1.00 0.00 C ATOM 87 C GLY A 148 2.548 1.246 -3.322 1.00 0.00 C ATOM 88 O GLY A 148 2.646 2.114 -2.478 1.00 0.00 O ATOM 0 H GLY A 148 2.396 0.637 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.860 2.063 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.513 0.560 -3.562 1.00 0.00 H new ATOM 92 N VAL A 149 3.530 0.418 -3.557 1.00 0.00 N ATOM 93 CA VAL A 149 4.795 0.535 -2.781 1.00 0.00 C ATOM 94 C VAL A 149 5.813 1.348 -3.578 1.00 0.00 C ATOM 95 O VAL A 149 6.105 1.051 -4.719 1.00 0.00 O ATOM 96 CB VAL A 149 5.375 -0.853 -2.511 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.524 -0.737 -1.510 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.292 -1.761 -1.932 1.00 0.00 C ATOM 0 H VAL A 149 3.510 -0.331 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 149 4.581 1.031 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 149 5.742 -1.278 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.939 -1.726 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.301 -0.092 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.153 -0.310 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.710 -2.749 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.922 -1.337 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.470 -1.846 -2.643 1.00 0.00 H new ATOM 108 N ARG A 150 6.368 2.363 -2.980 1.00 0.00 N ATOM 109 CA ARG A 150 7.381 3.182 -3.697 1.00 0.00 C ATOM 110 C ARG A 150 8.769 2.646 -3.353 1.00 0.00 C ATOM 111 O ARG A 150 8.973 2.061 -2.308 1.00 0.00 O ATOM 112 CB ARG A 150 7.266 4.642 -3.251 1.00 0.00 C ATOM 113 CG ARG A 150 7.627 5.563 -4.418 1.00 0.00 C ATOM 114 CD ARG A 150 7.764 6.999 -3.909 1.00 0.00 C ATOM 115 NE ARG A 150 7.272 7.945 -4.949 1.00 0.00 N ATOM 116 CZ ARG A 150 6.141 8.573 -4.776 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.853 9.085 -3.611 1.00 0.00 N ATOM 118 NH2 ARG A 150 5.301 8.692 -5.767 1.00 0.00 N ATOM 0 H ARG A 150 6.164 2.661 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 150 7.217 3.126 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.252 4.850 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.931 4.829 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 150 8.561 5.238 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 150 6.858 5.510 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.194 7.126 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 150 8.806 7.214 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 150 7.819 8.102 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 150 6.511 8.994 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.970 9.576 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 150 5.528 8.294 -6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.417 9.183 -5.630 1.00 0.00 H new ATOM 132 N GLN A 151 9.726 2.823 -4.220 1.00 0.00 N ATOM 133 CA GLN A 151 11.091 2.308 -3.923 1.00 0.00 C ATOM 134 C GLN A 151 12.113 3.433 -4.088 1.00 0.00 C ATOM 135 O GLN A 151 12.087 4.176 -5.049 1.00 0.00 O ATOM 136 CB GLN A 151 11.425 1.162 -4.881 1.00 0.00 C ATOM 137 CG GLN A 151 11.374 1.671 -6.323 1.00 0.00 C ATOM 138 CD GLN A 151 12.790 1.720 -6.899 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.173 2.694 -7.518 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.590 0.705 -6.720 1.00 0.00 N ATOM 0 H GLN A 151 9.623 3.299 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 151 11.124 1.942 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.416 0.765 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.717 0.344 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.746 1.017 -6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.923 2.663 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.269 -0.112 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.537 0.729 -7.099 1.00 0.00 H new ATOM 149 N ARG A 152 13.012 3.566 -3.150 1.00 0.00 N ATOM 150 CA ARG A 152 14.037 4.646 -3.243 1.00 0.00 C ATOM 151 C ARG A 152 15.427 4.020 -3.400 1.00 0.00 C ATOM 152 O ARG A 152 15.597 2.834 -3.200 1.00 0.00 O ATOM 153 CB ARG A 152 14.001 5.495 -1.968 1.00 0.00 C ATOM 154 CG ARG A 152 12.594 5.464 -1.364 1.00 0.00 C ATOM 155 CD ARG A 152 12.455 6.588 -0.339 1.00 0.00 C ATOM 156 NE ARG A 152 11.603 7.672 -0.904 1.00 0.00 N ATOM 157 CZ ARG A 152 10.733 8.279 -0.146 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.139 9.041 0.832 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.456 8.126 -0.366 1.00 0.00 N ATOM 0 H ARG A 152 13.081 2.973 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 152 13.823 5.276 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.725 5.115 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.286 6.522 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.847 5.579 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.412 4.500 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.012 6.204 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.438 6.981 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 152 11.700 7.939 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 152 12.137 9.162 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.458 9.516 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.138 7.531 -1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.776 8.601 0.227 1.00 0.00 H new ATOM 173 N PRO A 153 16.381 4.842 -3.756 1.00 0.00 N ATOM 174 CA PRO A 153 17.775 4.404 -3.951 1.00 0.00 C ATOM 175 C PRO A 153 18.480 4.242 -2.599 1.00 0.00 C ATOM 176 O PRO A 153 19.667 3.988 -2.535 1.00 0.00 O ATOM 177 CB PRO A 153 18.399 5.544 -4.759 1.00 0.00 C ATOM 178 CG PRO A 153 17.526 6.796 -4.498 1.00 0.00 C ATOM 179 CD PRO A 153 16.160 6.283 -4.000 1.00 0.00 C ATOM 0 HA PRO A 153 17.855 3.439 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.430 5.719 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.420 5.300 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.991 7.445 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.411 7.385 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.849 6.798 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.379 6.446 -4.742 1.00 0.00 H new ATOM 187 N TRP A 154 17.760 4.385 -1.519 1.00 0.00 N ATOM 188 CA TRP A 154 18.391 4.240 -0.177 1.00 0.00 C ATOM 189 C TRP A 154 18.048 2.867 0.407 1.00 0.00 C ATOM 190 O TRP A 154 18.706 2.383 1.307 1.00 0.00 O ATOM 191 CB TRP A 154 17.870 5.338 0.754 1.00 0.00 C ATOM 192 CG TRP A 154 18.765 6.532 0.661 1.00 0.00 C ATOM 193 CD1 TRP A 154 18.497 7.649 -0.054 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.061 6.749 1.291 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.547 8.538 0.095 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.535 8.030 0.915 1.00 0.00 C ATOM 197 CE3 TRP A 154 20.865 5.966 2.143 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.763 8.516 1.369 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.101 6.453 2.601 1.00 0.00 C ATOM 200 CH2 TRP A 154 22.548 7.726 2.215 1.00 0.00 C ATOM 0 H TRP A 154 16.762 4.596 -1.509 1.00 0.00 H new ATOM 0 HA TRP A 154 19.473 4.330 -0.274 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.851 5.611 0.479 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.836 4.974 1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 154 17.609 7.819 -0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 154 19.586 9.456 -0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.529 4.985 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.104 9.496 1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 22.710 5.845 3.253 1.00 0.00 H new ATOM 0 HH2 TRP A 154 23.498 8.096 2.571 1.00 0.00 H new ATOM 211 N GLY A 155 17.026 2.231 -0.098 1.00 0.00 N ATOM 212 CA GLY A 155 16.647 0.888 0.428 1.00 0.00 C ATOM 213 C GLY A 155 15.338 0.988 1.214 1.00 0.00 C ATOM 214 O GLY A 155 14.984 0.101 1.965 1.00 0.00 O ATOM 0 H GLY A 155 16.437 2.583 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.534 0.184 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.439 0.503 1.070 1.00 0.00 H new ATOM 218 N LYS A 156 14.615 2.062 1.048 1.00 0.00 N ATOM 219 CA LYS A 156 13.329 2.215 1.787 1.00 0.00 C ATOM 220 C LYS A 156 12.163 2.168 0.797 1.00 0.00 C ATOM 221 O LYS A 156 12.353 2.182 -0.402 1.00 0.00 O ATOM 222 CB LYS A 156 13.319 3.558 2.519 1.00 0.00 C ATOM 223 CG LYS A 156 14.339 3.526 3.659 1.00 0.00 C ATOM 224 CD LYS A 156 15.188 4.799 3.620 1.00 0.00 C ATOM 225 CE LYS A 156 14.881 5.653 4.852 1.00 0.00 C ATOM 226 NZ LYS A 156 14.968 4.810 6.077 1.00 0.00 N ATOM 0 H LYS A 156 14.858 2.839 0.434 1.00 0.00 H new ATOM 0 HA LYS A 156 13.227 1.405 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.558 4.364 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.323 3.762 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.826 3.447 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.977 2.647 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 156 16.247 4.542 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.976 5.363 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.586 6.482 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.885 6.088 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.409 5.357 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.013 4.517 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.543 3.967 5.878 1.00 0.00 H new ATOM 240 N PHE A 157 10.956 2.114 1.292 1.00 0.00 N ATOM 241 CA PHE A 157 9.779 2.070 0.381 1.00 0.00 C ATOM 242 C PHE A 157 8.640 2.890 0.986 1.00 0.00 C ATOM 243 O PHE A 157 8.808 3.556 1.988 1.00 0.00 O ATOM 244 CB PHE A 157 9.319 0.621 0.199 1.00 0.00 C ATOM 245 CG PHE A 157 10.309 -0.123 -0.662 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.521 -0.556 -0.113 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.018 -0.380 -2.009 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.443 -1.249 -0.909 1.00 0.00 C ATOM 249 CE2 PHE A 157 10.938 -1.073 -2.805 1.00 0.00 C ATOM 250 CZ PHE A 157 12.152 -1.508 -2.255 1.00 0.00 C ATOM 0 H PHE A 157 10.735 2.099 2.288 1.00 0.00 H new ATOM 0 HA PHE A 157 10.057 2.485 -0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.228 0.134 1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.332 0.598 -0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.746 -0.356 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.084 -0.043 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.378 -1.584 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.713 -1.272 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.862 -2.042 -2.868 1.00 0.00 H new ATOM 260 N ALA A 158 7.481 2.846 0.392 1.00 0.00 N ATOM 261 CA ALA A 158 6.338 3.625 0.945 1.00 0.00 C ATOM 262 C ALA A 158 5.019 2.963 0.557 1.00 0.00 C ATOM 263 O ALA A 158 4.578 3.045 -0.572 1.00 0.00 O ATOM 264 CB ALA A 158 6.374 5.051 0.392 1.00 0.00 C ATOM 0 H ALA A 158 7.276 2.307 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 158 6.419 3.652 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.537 5.620 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.311 5.529 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.300 5.022 -0.695 1.00 0.00 H new ATOM 270 N ALA A 159 4.380 2.314 1.489 1.00 0.00 N ATOM 271 CA ALA A 159 3.085 1.654 1.184 1.00 0.00 C ATOM 272 C ALA A 159 1.977 2.707 1.198 1.00 0.00 C ATOM 273 O ALA A 159 1.726 3.346 2.203 1.00 0.00 O ATOM 274 CB ALA A 159 2.795 0.590 2.244 1.00 0.00 C ATOM 0 H ALA A 159 4.702 2.213 2.452 1.00 0.00 H new ATOM 0 HA ALA A 159 3.131 1.181 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.845 0.104 2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.592 -0.154 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.741 1.060 3.226 1.00 0.00 H new ATOM 280 N GLU A 160 1.316 2.898 0.089 1.00 0.00 N ATOM 281 CA GLU A 160 0.229 3.914 0.035 1.00 0.00 C ATOM 282 C GLU A 160 -0.971 3.333 -0.716 1.00 0.00 C ATOM 283 O GLU A 160 -0.833 2.439 -1.527 1.00 0.00 O ATOM 284 CB GLU A 160 0.732 5.161 -0.695 1.00 0.00 C ATOM 285 CG GLU A 160 2.158 5.480 -0.238 1.00 0.00 C ATOM 286 CD GLU A 160 2.827 6.401 -1.259 1.00 0.00 C ATOM 287 OE1 GLU A 160 3.400 5.886 -2.205 1.00 0.00 O ATOM 288 OE2 GLU A 160 2.753 7.606 -1.080 1.00 0.00 O ATOM 0 H GLU A 160 1.482 2.394 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.070 4.183 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.712 4.997 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.075 6.006 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.139 5.958 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.732 4.559 -0.132 1.00 0.00 H new ATOM 295 N ILE A 161 -2.147 3.831 -0.453 1.00 0.00 N ATOM 296 CA ILE A 161 -3.352 3.303 -1.152 1.00 0.00 C ATOM 297 C ILE A 161 -4.293 4.458 -1.502 1.00 0.00 C ATOM 298 O ILE A 161 -4.432 5.405 -0.752 1.00 0.00 O ATOM 299 CB ILE A 161 -4.080 2.318 -0.236 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.200 1.626 -1.019 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.682 3.074 0.949 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.922 0.633 -0.105 1.00 0.00 C ATOM 0 H ILE A 161 -2.326 4.580 0.215 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.045 2.796 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.374 1.571 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.904 2.366 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.787 1.107 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.201 2.373 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.887 3.569 1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.388 3.820 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.719 0.140 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.213 -0.114 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.348 1.165 0.746 1.00 0.00 H new ATOM 314 N ARG A 162 -4.943 4.384 -2.630 1.00 0.00 N ATOM 315 CA ARG A 162 -5.880 5.474 -3.023 1.00 0.00 C ATOM 316 C ARG A 162 -7.262 5.180 -2.435 1.00 0.00 C ATOM 317 O ARG A 162 -7.813 4.115 -2.624 1.00 0.00 O ATOM 318 CB ARG A 162 -5.977 5.541 -4.550 1.00 0.00 C ATOM 319 CG ARG A 162 -6.453 6.934 -4.970 1.00 0.00 C ATOM 320 CD ARG A 162 -5.242 7.824 -5.257 1.00 0.00 C ATOM 321 NE ARG A 162 -4.717 7.527 -6.620 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.541 7.400 -7.626 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.529 8.241 -7.771 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.375 6.434 -8.487 1.00 0.00 N ATOM 0 H ARG A 162 -4.866 3.616 -3.297 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.514 6.428 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.006 5.327 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.670 4.783 -4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.083 6.862 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.062 7.375 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.525 8.874 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.466 7.651 -4.511 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.713 7.423 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.658 8.997 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.172 8.142 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.602 5.778 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.018 6.335 -9.272 1.00 0.00 H new ATOM 338 N ASP A 163 -7.824 6.115 -1.720 1.00 0.00 N ATOM 339 CA ASP A 163 -9.167 5.883 -1.118 1.00 0.00 C ATOM 340 C ASP A 163 -10.194 6.809 -1.778 1.00 0.00 C ATOM 341 O ASP A 163 -10.339 7.949 -1.383 1.00 0.00 O ATOM 342 CB ASP A 163 -9.108 6.177 0.382 1.00 0.00 C ATOM 343 CG ASP A 163 -10.391 5.678 1.051 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.380 5.527 0.352 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.363 5.457 2.250 1.00 0.00 O ATOM 0 H ASP A 163 -7.412 7.028 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.461 4.845 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.240 5.688 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.991 7.248 0.549 1.00 0.00 H new ATOM 350 N PRO A 164 -10.880 6.288 -2.764 1.00 0.00 N ATOM 351 CA PRO A 164 -11.907 7.045 -3.500 1.00 0.00 C ATOM 352 C PRO A 164 -13.193 7.133 -2.675 1.00 0.00 C ATOM 353 O PRO A 164 -13.980 8.045 -2.827 1.00 0.00 O ATOM 354 CB PRO A 164 -12.122 6.217 -4.771 1.00 0.00 C ATOM 355 CG PRO A 164 -11.649 4.782 -4.440 1.00 0.00 C ATOM 356 CD PRO A 164 -10.697 4.899 -3.234 1.00 0.00 C ATOM 0 HA PRO A 164 -11.615 8.073 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.171 6.222 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.555 6.631 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.497 4.140 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.139 4.335 -5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.949 4.178 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.663 4.709 -3.522 1.00 0.00 H new ATOM 364 N ALA A 165 -13.411 6.188 -1.802 1.00 0.00 N ATOM 365 CA ALA A 165 -14.642 6.212 -0.968 1.00 0.00 C ATOM 366 C ALA A 165 -14.603 7.421 -0.029 1.00 0.00 C ATOM 367 O ALA A 165 -15.602 7.803 0.546 1.00 0.00 O ATOM 368 CB ALA A 165 -14.723 4.926 -0.144 1.00 0.00 C ATOM 0 H ALA A 165 -12.787 5.399 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.517 6.286 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.625 4.942 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.754 4.066 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.848 4.852 0.502 1.00 0.00 H new ATOM 374 N LYS A 166 -13.457 8.025 0.129 1.00 0.00 N ATOM 375 CA LYS A 166 -13.356 9.209 1.030 1.00 0.00 C ATOM 376 C LYS A 166 -13.218 10.479 0.185 1.00 0.00 C ATOM 377 O LYS A 166 -12.448 11.364 0.498 1.00 0.00 O ATOM 378 CB LYS A 166 -12.129 9.062 1.932 1.00 0.00 C ATOM 379 CG LYS A 166 -12.252 7.779 2.757 1.00 0.00 C ATOM 380 CD LYS A 166 -13.076 8.059 4.014 1.00 0.00 C ATOM 381 CE LYS A 166 -14.560 8.109 3.652 1.00 0.00 C ATOM 382 NZ LYS A 166 -15.364 7.517 4.759 1.00 0.00 N ATOM 0 H LYS A 166 -12.587 7.750 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.253 9.275 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.222 9.033 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -12.045 9.925 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.727 6.997 2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.262 7.414 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.899 7.283 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.768 9.005 4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -14.868 9.140 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -14.738 7.561 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -16.374 7.552 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -15.077 6.528 4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -15.203 8.058 5.633 1.00 0.00 H new ATOM 396 N ASN A 167 -13.960 10.572 -0.884 1.00 0.00 N ATOM 397 CA ASN A 167 -13.874 11.781 -1.751 1.00 0.00 C ATOM 398 C ASN A 167 -12.406 12.098 -2.042 1.00 0.00 C ATOM 399 O ASN A 167 -11.852 13.049 -1.527 1.00 0.00 O ATOM 400 CB ASN A 167 -14.521 12.969 -1.036 1.00 0.00 C ATOM 401 CG ASN A 167 -15.663 13.519 -1.893 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.976 12.973 -2.932 1.00 0.00 O ATOM 403 ND2 ASN A 167 -16.304 14.584 -1.497 1.00 0.00 N ATOM 0 H ASN A 167 -14.623 9.862 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.397 11.593 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.900 12.659 -0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.779 13.747 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -17.068 14.958 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.041 15.042 -0.625 1.00 0.00 H new ATOM 410 N GLY A 168 -11.770 11.309 -2.865 1.00 0.00 N ATOM 411 CA GLY A 168 -10.339 11.568 -3.190 1.00 0.00 C ATOM 412 C GLY A 168 -9.554 11.791 -1.897 1.00 0.00 C ATOM 413 O GLY A 168 -9.530 12.878 -1.353 1.00 0.00 O ATOM 0 H GLY A 168 -12.180 10.497 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.922 10.725 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.254 12.443 -3.835 1.00 0.00 H new ATOM 417 N ALA A 169 -8.909 10.771 -1.399 1.00 0.00 N ATOM 418 CA ALA A 169 -8.128 10.930 -0.141 1.00 0.00 C ATOM 419 C ALA A 169 -6.920 9.992 -0.164 1.00 0.00 C ATOM 420 O ALA A 169 -7.037 8.808 0.083 1.00 0.00 O ATOM 421 CB ALA A 169 -9.018 10.585 1.057 1.00 0.00 C ATOM 0 H ALA A 169 -8.890 9.837 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.784 11.961 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.448 10.701 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.878 11.254 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.362 9.554 0.970 1.00 0.00 H new ATOM 427 N ARG A 170 -5.760 10.511 -0.457 1.00 0.00 N ATOM 428 CA ARG A 170 -4.545 9.649 -0.493 1.00 0.00 C ATOM 429 C ARG A 170 -4.336 9.016 0.885 1.00 0.00 C ATOM 430 O ARG A 170 -4.736 9.562 1.895 1.00 0.00 O ATOM 431 CB ARG A 170 -3.326 10.498 -0.856 1.00 0.00 C ATOM 432 CG ARG A 170 -2.981 11.422 0.313 1.00 0.00 C ATOM 433 CD ARG A 170 -2.026 12.518 -0.166 1.00 0.00 C ATOM 434 NE ARG A 170 -2.747 13.821 -0.211 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.493 14.740 0.681 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.261 14.973 1.043 1.00 0.00 N ATOM 437 NH2 ARG A 170 -3.470 15.426 1.208 1.00 0.00 N ATOM 0 H ARG A 170 -5.601 11.495 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.674 8.866 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.477 9.854 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.533 11.087 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.889 11.868 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.520 10.850 1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.169 12.587 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.638 12.271 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 170 -3.440 13.995 -0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -0.498 14.437 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.061 15.691 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -4.432 15.244 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -3.271 16.144 1.905 1.00 0.00 H new ATOM 451 N VAL A 171 -3.716 7.869 0.938 1.00 0.00 N ATOM 452 CA VAL A 171 -3.490 7.211 2.256 1.00 0.00 C ATOM 453 C VAL A 171 -2.044 6.725 2.353 1.00 0.00 C ATOM 454 O VAL A 171 -1.721 5.621 1.960 1.00 0.00 O ATOM 455 CB VAL A 171 -4.438 6.018 2.398 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.048 5.202 3.631 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.873 6.525 2.560 1.00 0.00 C ATOM 0 H VAL A 171 -3.358 7.361 0.129 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.681 7.929 3.053 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.370 5.392 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.723 4.352 3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.025 4.842 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.118 5.829 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.549 5.676 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.940 7.150 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.153 7.110 1.684 1.00 0.00 H new ATOM 467 N TRP A 172 -1.170 7.538 2.882 1.00 0.00 N ATOM 468 CA TRP A 172 0.252 7.114 3.013 1.00 0.00 C ATOM 469 C TRP A 172 0.389 6.194 4.226 1.00 0.00 C ATOM 470 O TRP A 172 0.583 6.643 5.338 1.00 0.00 O ATOM 471 CB TRP A 172 1.141 8.345 3.205 1.00 0.00 C ATOM 472 CG TRP A 172 2.577 7.925 3.245 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.155 7.226 4.249 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.625 8.162 2.259 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.488 7.022 3.944 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.824 7.578 2.730 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.652 8.820 1.013 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.008 7.643 1.996 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.843 8.889 0.270 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.019 8.300 0.761 1.00 0.00 C ATOM 0 H TRP A 172 -1.379 8.475 3.228 1.00 0.00 H new ATOM 0 HA TRP A 172 0.560 6.585 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.981 9.052 2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.875 8.857 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.656 6.883 5.143 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.142 6.521 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.752 9.274 0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.910 7.189 2.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.854 9.397 -0.683 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.931 8.354 0.186 1.00 0.00 H new ATOM 491 N LEU A 173 0.283 4.910 4.024 1.00 0.00 N ATOM 492 CA LEU A 173 0.404 3.966 5.169 1.00 0.00 C ATOM 493 C LEU A 173 1.714 4.236 5.910 1.00 0.00 C ATOM 494 O LEU A 173 1.776 4.183 7.122 1.00 0.00 O ATOM 495 CB LEU A 173 0.390 2.529 4.647 1.00 0.00 C ATOM 496 CG LEU A 173 -0.897 2.294 3.852 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.647 1.245 2.768 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.994 1.797 4.796 1.00 0.00 C ATOM 0 H LEU A 173 0.118 4.474 3.117 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.433 4.107 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.260 2.351 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.451 1.827 5.478 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.210 3.228 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.565 1.079 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.135 1.597 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.333 0.310 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.911 1.629 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.678 0.863 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.175 2.544 5.569 1.00 0.00 H new ATOM 510 N GLY A 174 2.760 4.529 5.189 1.00 0.00 N ATOM 511 CA GLY A 174 4.066 4.808 5.852 1.00 0.00 C ATOM 512 C GLY A 174 5.201 4.209 5.023 1.00 0.00 C ATOM 513 O GLY A 174 4.974 3.542 4.035 1.00 0.00 O ATOM 0 H GLY A 174 2.768 4.588 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.209 5.883 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.073 4.384 6.856 1.00 0.00 H new ATOM 517 N THR A 175 6.423 4.442 5.417 1.00 0.00 N ATOM 518 CA THR A 175 7.570 3.881 4.648 1.00 0.00 C ATOM 519 C THR A 175 7.951 2.522 5.234 1.00 0.00 C ATOM 520 O THR A 175 7.591 2.193 6.347 1.00 0.00 O ATOM 521 CB THR A 175 8.774 4.832 4.721 1.00 0.00 C ATOM 522 OG1 THR A 175 9.716 4.331 5.659 1.00 0.00 O ATOM 523 CG2 THR A 175 8.319 6.229 5.152 1.00 0.00 C ATOM 0 H THR A 175 6.676 4.995 6.236 1.00 0.00 H new ATOM 0 HA THR A 175 7.279 3.764 3.604 1.00 0.00 H new ATOM 0 HB THR A 175 9.235 4.897 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.485 4.936 5.705 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.181 6.894 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.601 6.617 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.850 6.172 6.134 1.00 0.00 H new ATOM 531 N PHE A 176 8.670 1.724 4.492 1.00 0.00 N ATOM 532 CA PHE A 176 9.061 0.384 5.010 1.00 0.00 C ATOM 533 C PHE A 176 10.542 0.127 4.723 1.00 0.00 C ATOM 534 O PHE A 176 11.181 0.860 3.993 1.00 0.00 O ATOM 535 CB PHE A 176 8.207 -0.684 4.328 1.00 0.00 C ATOM 536 CG PHE A 176 6.817 -0.646 4.912 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.887 0.299 4.456 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.460 -1.551 5.919 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.600 0.335 5.006 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.172 -1.513 6.471 1.00 0.00 C ATOM 541 CZ PHE A 176 4.242 -0.570 6.014 1.00 0.00 C ATOM 0 H PHE A 176 9.002 1.942 3.553 1.00 0.00 H new ATOM 0 HA PHE A 176 8.900 0.348 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.169 -0.506 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.650 -1.669 4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.163 0.999 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.177 -2.278 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.883 1.061 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.897 -2.210 7.248 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.249 -0.541 6.439 1.00 0.00 H new ATOM 551 N GLU A 177 11.095 -0.907 5.298 1.00 0.00 N ATOM 552 CA GLU A 177 12.538 -1.212 5.068 1.00 0.00 C ATOM 553 C GLU A 177 12.725 -1.825 3.678 1.00 0.00 C ATOM 554 O GLU A 177 13.785 -1.737 3.091 1.00 0.00 O ATOM 555 CB GLU A 177 13.024 -2.204 6.129 1.00 0.00 C ATOM 556 CG GLU A 177 11.963 -3.285 6.345 1.00 0.00 C ATOM 557 CD GLU A 177 12.633 -4.569 6.834 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.792 -4.770 6.510 1.00 0.00 O ATOM 559 OE2 GLU A 177 11.977 -5.330 7.527 1.00 0.00 O ATOM 0 H GLU A 177 10.609 -1.555 5.918 1.00 0.00 H new ATOM 0 HA GLU A 177 13.114 -0.289 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 177 13.963 -2.659 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.222 -1.682 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 177 11.227 -2.946 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 177 11.427 -3.474 5.415 1.00 0.00 H new ATOM 566 N THR A 178 11.708 -2.446 3.144 1.00 0.00 N ATOM 567 CA THR A 178 11.843 -3.061 1.791 1.00 0.00 C ATOM 568 C THR A 178 10.499 -2.989 1.062 1.00 0.00 C ATOM 569 O THR A 178 9.533 -2.460 1.576 1.00 0.00 O ATOM 570 CB THR A 178 12.271 -4.526 1.925 1.00 0.00 C ATOM 571 OG1 THR A 178 11.117 -5.354 1.959 1.00 0.00 O ATOM 572 CG2 THR A 178 13.076 -4.717 3.213 1.00 0.00 C ATOM 0 H THR A 178 10.794 -2.554 3.583 1.00 0.00 H new ATOM 0 HA THR A 178 12.598 -2.517 1.224 1.00 0.00 H new ATOM 0 HB THR A 178 12.892 -4.799 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.848 -5.502 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.377 -5.761 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.963 -4.084 3.185 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.461 -4.442 4.070 1.00 0.00 H new ATOM 580 N ALA A 179 10.429 -3.517 -0.130 1.00 0.00 N ATOM 581 CA ALA A 179 9.150 -3.477 -0.888 1.00 0.00 C ATOM 582 C ALA A 179 8.250 -4.624 -0.431 1.00 0.00 C ATOM 583 O ALA A 179 7.050 -4.559 -0.552 1.00 0.00 O ATOM 584 CB ALA A 179 9.437 -3.622 -2.384 1.00 0.00 C ATOM 0 H ALA A 179 11.204 -3.974 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 179 8.650 -2.526 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.499 -3.593 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.079 -2.804 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.938 -4.573 -2.568 1.00 0.00 H new ATOM 590 N GLU A 180 8.816 -5.675 0.092 1.00 0.00 N ATOM 591 CA GLU A 180 7.975 -6.819 0.548 1.00 0.00 C ATOM 592 C GLU A 180 7.205 -6.420 1.808 1.00 0.00 C ATOM 593 O GLU A 180 6.087 -6.845 2.024 1.00 0.00 O ATOM 594 CB GLU A 180 8.869 -8.021 0.859 1.00 0.00 C ATOM 595 CG GLU A 180 8.012 -9.283 0.961 1.00 0.00 C ATOM 596 CD GLU A 180 8.381 -10.052 2.230 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.548 -10.041 2.587 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.492 -10.639 2.824 1.00 0.00 O ATOM 0 H GLU A 180 9.821 -5.793 0.224 1.00 0.00 H new ATOM 0 HA GLU A 180 7.270 -7.084 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.620 -8.141 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.405 -7.856 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.955 -9.017 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.167 -9.912 0.084 1.00 0.00 H new ATOM 605 N ASP A 181 7.794 -5.609 2.642 1.00 0.00 N ATOM 606 CA ASP A 181 7.098 -5.185 3.888 1.00 0.00 C ATOM 607 C ASP A 181 6.045 -4.128 3.555 1.00 0.00 C ATOM 608 O ASP A 181 4.900 -4.237 3.945 1.00 0.00 O ATOM 609 CB ASP A 181 8.119 -4.599 4.866 1.00 0.00 C ATOM 610 CG ASP A 181 9.480 -5.268 4.659 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.648 -6.383 5.124 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.333 -4.652 4.040 1.00 0.00 O ATOM 0 H ASP A 181 8.729 -5.221 2.514 1.00 0.00 H new ATOM 0 HA ASP A 181 6.611 -6.048 4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.206 -3.523 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.782 -4.750 5.891 1.00 0.00 H new ATOM 617 N ALA A 182 6.418 -3.103 2.837 1.00 0.00 N ATOM 618 CA ALA A 182 5.428 -2.046 2.484 1.00 0.00 C ATOM 619 C ALA A 182 4.280 -2.676 1.697 1.00 0.00 C ATOM 620 O ALA A 182 3.122 -2.426 1.962 1.00 0.00 O ATOM 621 CB ALA A 182 6.101 -0.967 1.633 1.00 0.00 C ATOM 0 H ALA A 182 7.362 -2.952 2.481 1.00 0.00 H new ATOM 0 HA ALA A 182 5.043 -1.591 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.372 -0.197 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.921 -0.519 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.490 -1.415 0.719 1.00 0.00 H new ATOM 627 N ALA A 183 4.595 -3.497 0.737 1.00 0.00 N ATOM 628 CA ALA A 183 3.522 -4.154 -0.064 1.00 0.00 C ATOM 629 C ALA A 183 2.635 -4.969 0.872 1.00 0.00 C ATOM 630 O ALA A 183 1.423 -4.914 0.798 1.00 0.00 O ATOM 631 CB ALA A 183 4.148 -5.088 -1.104 1.00 0.00 C ATOM 0 H ALA A 183 5.548 -3.743 0.471 1.00 0.00 H new ATOM 0 HA ALA A 183 2.931 -3.393 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.359 -5.565 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.792 -4.513 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.738 -5.852 -0.598 1.00 0.00 H new ATOM 637 N LEU A 184 3.234 -5.726 1.752 1.00 0.00 N ATOM 638 CA LEU A 184 2.438 -6.550 2.701 1.00 0.00 C ATOM 639 C LEU A 184 1.544 -5.632 3.538 1.00 0.00 C ATOM 640 O LEU A 184 0.459 -6.003 3.940 1.00 0.00 O ATOM 641 CB LEU A 184 3.393 -7.321 3.617 1.00 0.00 C ATOM 642 CG LEU A 184 3.125 -8.822 3.491 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.904 -9.574 4.572 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.628 -9.087 3.664 1.00 0.00 C ATOM 0 H LEU A 184 4.246 -5.808 1.853 1.00 0.00 H new ATOM 0 HA LEU A 184 1.815 -7.255 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.427 -7.102 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.258 -7.003 4.651 1.00 0.00 H new ATOM 0 HG LEU A 184 3.446 -9.167 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.712 -10.643 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.971 -9.385 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.585 -9.230 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.435 -10.156 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.309 -8.742 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.072 -8.552 2.894 1.00 0.00 H new ATOM 656 N ALA A 185 1.988 -4.432 3.795 1.00 0.00 N ATOM 657 CA ALA A 185 1.163 -3.483 4.595 1.00 0.00 C ATOM 658 C ALA A 185 0.099 -2.864 3.689 1.00 0.00 C ATOM 659 O ALA A 185 -0.937 -2.415 4.141 1.00 0.00 O ATOM 660 CB ALA A 185 2.058 -2.378 5.160 1.00 0.00 C ATOM 0 H ALA A 185 2.889 -4.067 3.485 1.00 0.00 H new ATOM 0 HA ALA A 185 0.684 -4.014 5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.454 -1.684 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.823 -2.820 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.535 -1.841 4.340 1.00 0.00 H new ATOM 666 N TYR A 186 0.347 -2.844 2.409 1.00 0.00 N ATOM 667 CA TYR A 186 -0.644 -2.265 1.462 1.00 0.00 C ATOM 668 C TYR A 186 -1.805 -3.244 1.302 1.00 0.00 C ATOM 669 O TYR A 186 -2.931 -2.857 1.063 1.00 0.00 O ATOM 670 CB TYR A 186 0.023 -2.045 0.104 1.00 0.00 C ATOM 671 CG TYR A 186 -1.024 -1.687 -0.919 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.853 -2.683 -1.444 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.166 -0.360 -1.341 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.828 -2.355 -2.395 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.140 -0.029 -2.292 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.971 -1.026 -2.819 1.00 0.00 C ATOM 677 OH TYR A 186 -3.931 -0.701 -3.756 1.00 0.00 O ATOM 0 H TYR A 186 1.197 -3.206 1.977 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.011 -1.313 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.764 -1.249 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.553 -2.947 -0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.742 -3.706 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.525 0.408 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.468 -3.124 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.250 0.994 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.898 0.261 -3.938 1.00 0.00 H new ATOM 687 N ASP A 187 -1.531 -4.511 1.431 1.00 0.00 N ATOM 688 CA ASP A 187 -2.600 -5.532 1.293 1.00 0.00 C ATOM 689 C ASP A 187 -3.526 -5.460 2.504 1.00 0.00 C ATOM 690 O ASP A 187 -4.731 -5.391 2.378 1.00 0.00 O ATOM 691 CB ASP A 187 -1.953 -6.913 1.231 1.00 0.00 C ATOM 692 CG ASP A 187 -0.862 -6.919 0.159 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.932 -6.091 -0.732 1.00 0.00 O ATOM 694 OD2 ASP A 187 0.025 -7.752 0.250 1.00 0.00 O ATOM 0 H ASP A 187 -0.602 -4.884 1.628 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.176 -5.350 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.526 -7.170 2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.705 -7.669 1.004 1.00 0.00 H new ATOM 699 N ARG A 188 -2.963 -5.483 3.676 1.00 0.00 N ATOM 700 CA ARG A 188 -3.797 -5.422 4.909 1.00 0.00 C ATOM 701 C ARG A 188 -4.555 -4.095 4.953 1.00 0.00 C ATOM 702 O ARG A 188 -5.685 -4.030 5.395 1.00 0.00 O ATOM 703 CB ARG A 188 -2.892 -5.531 6.137 1.00 0.00 C ATOM 704 CG ARG A 188 -3.443 -6.598 7.084 1.00 0.00 C ATOM 705 CD ARG A 188 -2.978 -6.304 8.511 1.00 0.00 C ATOM 706 NE ARG A 188 -4.153 -5.929 9.347 1.00 0.00 N ATOM 707 CZ ARG A 188 -4.013 -5.758 10.633 1.00 0.00 C ATOM 708 NH1 ARG A 188 -3.029 -5.033 11.093 1.00 0.00 N ATOM 709 NH2 ARG A 188 -4.857 -6.311 11.460 1.00 0.00 N ATOM 0 H ARG A 188 -1.957 -5.542 3.836 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.511 -6.245 4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.878 -5.789 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.837 -4.570 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.532 -6.610 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -3.100 -7.586 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.483 -7.179 8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.247 -5.495 8.508 1.00 0.00 H new ATOM 0 HE ARG A 188 -5.068 -5.806 8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.369 -4.600 10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.920 -4.900 12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -5.626 -6.877 11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.748 -6.177 12.465 1.00 0.00 H new ATOM 723 N ALA A 189 -3.944 -3.036 4.500 1.00 0.00 N ATOM 724 CA ALA A 189 -4.631 -1.715 4.521 1.00 0.00 C ATOM 725 C ALA A 189 -5.576 -1.612 3.325 1.00 0.00 C ATOM 726 O ALA A 189 -6.518 -0.844 3.328 1.00 0.00 O ATOM 727 CB ALA A 189 -3.588 -0.600 4.443 1.00 0.00 C ATOM 0 H ALA A 189 -2.999 -3.028 4.116 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.202 -1.617 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.089 0.368 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -2.913 -0.673 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.018 -0.699 3.519 1.00 0.00 H new ATOM 733 N ALA A 190 -5.335 -2.384 2.303 1.00 0.00 N ATOM 734 CA ALA A 190 -6.220 -2.334 1.108 1.00 0.00 C ATOM 735 C ALA A 190 -7.387 -3.299 1.311 1.00 0.00 C ATOM 736 O ALA A 190 -8.394 -3.222 0.638 1.00 0.00 O ATOM 737 CB ALA A 190 -5.428 -2.741 -0.135 1.00 0.00 C ATOM 0 H ALA A 190 -4.563 -3.048 2.244 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.600 -1.321 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.078 -2.704 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.592 -2.055 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.048 -3.755 -0.009 1.00 0.00 H new ATOM 743 N PHE A 191 -7.259 -4.205 2.240 1.00 0.00 N ATOM 744 CA PHE A 191 -8.359 -5.175 2.495 1.00 0.00 C ATOM 745 C PHE A 191 -9.368 -4.548 3.456 1.00 0.00 C ATOM 746 O PHE A 191 -10.554 -4.794 3.376 1.00 0.00 O ATOM 747 CB PHE A 191 -7.782 -6.447 3.120 1.00 0.00 C ATOM 748 CG PHE A 191 -8.544 -7.648 2.620 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.779 -7.981 3.192 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.015 -8.433 1.587 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.486 -9.098 2.729 1.00 0.00 C ATOM 752 CE2 PHE A 191 -8.723 -9.550 1.124 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.959 -9.883 1.695 1.00 0.00 C ATOM 0 H PHE A 191 -6.438 -4.315 2.835 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.853 -5.425 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.726 -6.542 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.845 -6.391 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.186 -7.377 3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.062 -8.177 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.438 -9.354 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.316 -10.155 0.327 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.505 -10.744 1.338 1.00 0.00 H new ATOM 763 N ARG A 192 -8.905 -3.735 4.362 1.00 0.00 N ATOM 764 CA ARG A 192 -9.836 -3.088 5.328 1.00 0.00 C ATOM 765 C ARG A 192 -10.578 -1.948 4.631 1.00 0.00 C ATOM 766 O ARG A 192 -11.758 -1.744 4.833 1.00 0.00 O ATOM 767 CB ARG A 192 -9.036 -2.528 6.504 1.00 0.00 C ATOM 768 CG ARG A 192 -8.380 -3.677 7.272 1.00 0.00 C ATOM 769 CD ARG A 192 -9.173 -3.959 8.549 1.00 0.00 C ATOM 770 NE ARG A 192 -8.500 -5.039 9.324 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.212 -5.965 9.906 1.00 0.00 C ATOM 772 NH1 ARG A 192 -10.401 -5.683 10.363 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.735 -7.173 10.031 1.00 0.00 N ATOM 0 H ARG A 192 -7.922 -3.490 4.476 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.555 -3.823 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.274 -1.837 6.143 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.691 -1.962 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.345 -4.571 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.350 -3.421 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.244 -3.054 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.191 -4.257 8.299 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.483 -5.055 9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -10.774 -4.739 10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -10.957 -6.407 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.805 -7.394 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -9.292 -7.897 10.486 1.00 0.00 H new ATOM 787 N MET A 193 -9.888 -1.198 3.820 1.00 0.00 N ATOM 788 CA MET A 193 -10.543 -0.060 3.114 1.00 0.00 C ATOM 789 C MET A 193 -11.310 -0.566 1.889 1.00 0.00 C ATOM 790 O MET A 193 -12.280 0.034 1.466 1.00 0.00 O ATOM 791 CB MET A 193 -9.475 0.940 2.664 1.00 0.00 C ATOM 792 CG MET A 193 -9.658 2.258 3.422 1.00 0.00 C ATOM 793 SD MET A 193 -8.038 2.906 3.905 1.00 0.00 S ATOM 794 CE MET A 193 -7.388 3.161 2.235 1.00 0.00 C ATOM 0 H MET A 193 -8.897 -1.323 3.614 1.00 0.00 H new ATOM 0 HA MET A 193 -11.242 0.424 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.480 0.535 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.552 1.112 1.590 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.179 2.981 2.795 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.276 2.099 4.306 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.516 3.814 2.280 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.101 2.201 1.806 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.155 3.622 1.612 1.00 0.00 H new ATOM 804 N ARG A 194 -10.892 -1.658 1.309 1.00 0.00 N ATOM 805 CA ARG A 194 -11.610 -2.179 0.110 1.00 0.00 C ATOM 806 C ARG A 194 -12.673 -3.190 0.545 1.00 0.00 C ATOM 807 O ARG A 194 -13.277 -3.860 -0.272 1.00 0.00 O ATOM 808 CB ARG A 194 -10.615 -2.856 -0.835 1.00 0.00 C ATOM 809 CG ARG A 194 -9.525 -1.855 -1.230 1.00 0.00 C ATOM 810 CD ARG A 194 -9.871 -1.227 -2.583 1.00 0.00 C ATOM 811 NE ARG A 194 -9.492 0.215 -2.574 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.244 0.831 -3.697 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.201 1.017 -4.566 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.039 1.264 -3.952 1.00 0.00 N ATOM 0 H ARG A 194 -10.089 -2.210 1.611 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.091 -1.349 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.168 -3.724 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.130 -3.219 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -9.437 -1.079 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -8.559 -2.357 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.344 -1.747 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.937 -1.332 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.427 0.720 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.143 0.681 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -10.006 1.499 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -7.291 1.121 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.845 1.746 -4.830 1.00 0.00 H new ATOM 828 N GLY A 195 -12.914 -3.304 1.822 1.00 0.00 N ATOM 829 CA GLY A 195 -13.945 -4.270 2.302 1.00 0.00 C ATOM 830 C GLY A 195 -13.433 -5.701 2.130 1.00 0.00 C ATOM 831 O GLY A 195 -12.295 -6.005 2.425 1.00 0.00 O ATOM 0 H GLY A 195 -12.443 -2.772 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.175 -4.080 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.871 -4.136 1.743 1.00 0.00 H new ATOM 835 N SER A 196 -14.268 -6.586 1.656 1.00 0.00 N ATOM 836 CA SER A 196 -13.828 -7.997 1.468 1.00 0.00 C ATOM 837 C SER A 196 -13.418 -8.215 0.010 1.00 0.00 C ATOM 838 O SER A 196 -13.917 -7.567 -0.888 1.00 0.00 O ATOM 839 CB SER A 196 -14.980 -8.939 1.821 1.00 0.00 C ATOM 840 OG SER A 196 -15.290 -8.807 3.202 1.00 0.00 O ATOM 0 H SER A 196 -15.234 -6.393 1.391 1.00 0.00 H new ATOM 0 HA SER A 196 -12.977 -8.203 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.856 -8.703 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.704 -9.969 1.595 1.00 0.00 H new ATOM 0 HG SER A 196 -16.029 -9.409 3.430 1.00 0.00 H new ATOM 846 N ARG A 197 -12.513 -9.124 -0.231 1.00 0.00 N ATOM 847 CA ARG A 197 -12.070 -9.384 -1.631 1.00 0.00 C ATOM 848 C ARG A 197 -11.526 -8.091 -2.244 1.00 0.00 C ATOM 849 O ARG A 197 -12.253 -7.142 -2.464 1.00 0.00 O ATOM 850 CB ARG A 197 -13.258 -9.880 -2.459 1.00 0.00 C ATOM 851 CG ARG A 197 -13.213 -11.406 -2.552 1.00 0.00 C ATOM 852 CD ARG A 197 -14.353 -12.003 -1.727 1.00 0.00 C ATOM 853 NE ARG A 197 -15.295 -12.723 -2.629 1.00 0.00 N ATOM 854 CZ ARG A 197 -16.223 -12.061 -3.266 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.896 -11.068 -4.048 1.00 0.00 N ATOM 856 NH2 ARG A 197 -17.477 -12.393 -3.122 1.00 0.00 N ATOM 0 H ARG A 197 -12.061 -9.698 0.481 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.287 -10.142 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.194 -9.560 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.227 -9.443 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.300 -11.720 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.254 -11.775 -2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -13.954 -12.688 -0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -14.879 -11.214 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.215 -13.733 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.916 -10.809 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -16.621 -10.551 -4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -17.732 -13.170 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -18.202 -11.876 -3.620 1.00 0.00 H new ATOM 870 N ALA A 198 -10.250 -8.043 -2.520 1.00 0.00 N ATOM 871 CA ALA A 198 -9.663 -6.810 -3.116 1.00 0.00 C ATOM 872 C ALA A 198 -8.408 -7.172 -3.912 1.00 0.00 C ATOM 873 O ALA A 198 -7.976 -8.307 -3.928 1.00 0.00 O ATOM 874 CB ALA A 198 -9.291 -5.833 -1.998 1.00 0.00 C ATOM 0 H ALA A 198 -9.590 -8.804 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.392 -6.346 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.861 -4.930 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.184 -5.573 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.562 -6.299 -1.335 1.00 0.00 H new ATOM 880 N LEU A 199 -7.818 -6.213 -4.573 1.00 0.00 N ATOM 881 CA LEU A 199 -6.591 -6.497 -5.368 1.00 0.00 C ATOM 882 C LEU A 199 -5.367 -5.958 -4.623 1.00 0.00 C ATOM 883 O LEU A 199 -5.203 -4.765 -4.464 1.00 0.00 O ATOM 884 CB LEU A 199 -6.695 -5.814 -6.731 1.00 0.00 C ATOM 885 CG LEU A 199 -7.010 -6.857 -7.804 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.525 -6.975 -7.976 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.380 -6.428 -9.131 1.00 0.00 C ATOM 0 H LEU A 199 -8.134 -5.244 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.491 -7.573 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.475 -5.053 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.760 -5.306 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.603 -7.822 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.747 -7.719 -8.741 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.976 -7.280 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.933 -6.010 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.604 -7.171 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.787 -5.463 -9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.300 -6.345 -9.011 1.00 0.00 H new ATOM 899 N LEU A 200 -4.508 -6.826 -4.166 1.00 0.00 N ATOM 900 CA LEU A 200 -3.299 -6.362 -3.432 1.00 0.00 C ATOM 901 C LEU A 200 -2.061 -7.044 -4.011 1.00 0.00 C ATOM 902 O LEU A 200 -2.154 -7.893 -4.876 1.00 0.00 O ATOM 903 CB LEU A 200 -3.408 -6.712 -1.940 1.00 0.00 C ATOM 904 CG LEU A 200 -4.610 -7.625 -1.680 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.340 -8.487 -0.446 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.849 -6.764 -1.437 1.00 0.00 C ATOM 0 H LEU A 200 -4.591 -7.837 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.219 -5.280 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.494 -7.205 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.507 -5.798 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.773 -8.271 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.196 -9.136 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.452 -9.096 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.180 -7.844 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.709 -7.408 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.682 -6.123 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.041 -6.147 -2.315 1.00 0.00 H new ATOM 918 N ASN A 201 -0.901 -6.690 -3.533 1.00 0.00 N ATOM 919 CA ASN A 201 0.341 -7.333 -4.051 1.00 0.00 C ATOM 920 C ASN A 201 0.355 -8.789 -3.594 1.00 0.00 C ATOM 921 O ASN A 201 0.773 -9.676 -4.314 1.00 0.00 O ATOM 922 CB ASN A 201 1.588 -6.624 -3.507 1.00 0.00 C ATOM 923 CG ASN A 201 1.253 -5.190 -3.095 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.414 -4.839 -1.851 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.842 -4.387 -3.909 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.758 -5.986 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 201 0.353 -7.267 -5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.980 -7.172 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.370 -6.617 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.717 -4.666 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.622 -3.434 -3.619 1.00 0.00 H new ATOM 932 N PHE A 202 -0.107 -9.041 -2.399 1.00 0.00 N ATOM 933 CA PHE A 202 -0.131 -10.437 -1.883 1.00 0.00 C ATOM 934 C PHE A 202 -1.560 -10.793 -1.459 1.00 0.00 C ATOM 935 O PHE A 202 -1.878 -10.771 -0.287 1.00 0.00 O ATOM 936 CB PHE A 202 0.799 -10.555 -0.672 1.00 0.00 C ATOM 937 CG PHE A 202 2.076 -9.792 -0.924 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.675 -9.825 -2.189 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.668 -9.061 0.113 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.867 -9.125 -2.416 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.858 -8.360 -0.114 1.00 0.00 C ATOM 942 CZ PHE A 202 4.459 -8.393 -1.379 1.00 0.00 C ATOM 0 H PHE A 202 -0.470 -8.337 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 202 0.204 -11.119 -2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.303 -10.166 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.025 -11.603 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.219 -10.389 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.206 -9.038 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.330 -9.150 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.313 -7.794 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.378 -7.854 -1.555 1.00 0.00 H new ATOM 952 N PRO A 203 -2.377 -11.109 -2.431 1.00 0.00 N ATOM 953 CA PRO A 203 -3.786 -11.475 -2.197 1.00 0.00 C ATOM 954 C PRO A 203 -3.888 -12.921 -1.699 1.00 0.00 C ATOM 955 O PRO A 203 -4.361 -13.796 -2.396 1.00 0.00 O ATOM 956 CB PRO A 203 -4.428 -11.327 -3.580 1.00 0.00 C ATOM 957 CG PRO A 203 -3.278 -11.442 -4.609 1.00 0.00 C ATOM 958 CD PRO A 203 -1.974 -11.129 -3.851 1.00 0.00 C ATOM 0 HA PRO A 203 -4.270 -10.859 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.177 -12.102 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.937 -10.367 -3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.244 -12.442 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.424 -10.743 -5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.213 -11.886 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.554 -10.172 -4.159 1.00 0.00 H new