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 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ -165:sc=-0.00302 (180deg=-0.139) USER MOD Single : A 167 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.6!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -3.26! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -107:sc= -3.5! (180deg=-5.4!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.48! C(o=-10!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.652 -3.044 -6.440 1.00 0.00 N ATOM 41 CA TYR A 146 4.275 -3.463 -6.056 1.00 0.00 C ATOM 42 C TYR A 146 3.302 -2.310 -6.313 1.00 0.00 C ATOM 43 O TYR A 146 3.701 -1.174 -6.472 1.00 0.00 O ATOM 44 CB TYR A 146 4.244 -3.832 -4.571 1.00 0.00 C ATOM 45 CG TYR A 146 5.106 -5.043 -4.328 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.976 -6.170 -5.149 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.030 -5.044 -3.275 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.769 -7.299 -4.917 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.823 -6.172 -3.043 1.00 0.00 C ATOM 50 CZ TYR A 146 6.694 -7.302 -3.864 1.00 0.00 C ATOM 51 OH TYR A 146 7.477 -8.414 -3.635 1.00 0.00 O ATOM 0 HA TYR A 146 3.982 -4.329 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.600 -2.994 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.220 -4.035 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.264 -6.168 -5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.130 -4.174 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.668 -8.169 -5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.535 -6.173 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 146 8.064 -8.248 -2.868 1.00 0.00 H new ATOM 61 N ARG A 147 2.028 -2.594 -6.355 1.00 0.00 N ATOM 62 CA ARG A 147 1.034 -1.512 -6.602 1.00 0.00 C ATOM 63 C ARG A 147 0.769 -0.752 -5.301 1.00 0.00 C ATOM 64 O ARG A 147 -0.039 -1.157 -4.488 1.00 0.00 O ATOM 65 CB ARG A 147 -0.273 -2.127 -7.108 1.00 0.00 C ATOM 66 CG ARG A 147 -0.014 -2.873 -8.418 1.00 0.00 C ATOM 67 CD ARG A 147 -0.978 -2.370 -9.493 1.00 0.00 C ATOM 68 NE ARG A 147 -0.460 -2.748 -10.840 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.292 -3.018 -11.808 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.494 -2.507 -11.799 1.00 0.00 N ATOM 71 NH2 ARG A 147 -0.923 -3.800 -12.785 1.00 0.00 N ATOM 0 H ARG A 147 1.634 -3.526 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 147 1.427 -0.823 -7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.678 -2.811 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.018 -1.347 -7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.016 -2.719 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.145 -3.945 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.968 -2.799 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.085 -1.288 -9.423 1.00 0.00 H new ATOM 0 HE ARG A 147 0.546 -2.795 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.783 -1.896 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.144 -2.719 -12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.015 -4.200 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.573 -4.012 -13.542 1.00 0.00 H new ATOM 85 N GLY A 148 1.440 0.348 -5.098 1.00 0.00 N ATOM 86 CA GLY A 148 1.222 1.134 -3.851 1.00 0.00 C ATOM 87 C GLY A 148 2.528 1.222 -3.058 1.00 0.00 C ATOM 88 O GLY A 148 2.632 1.959 -2.101 1.00 0.00 O ATOM 0 H GLY A 148 2.130 0.737 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.868 2.135 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.449 0.663 -3.244 1.00 0.00 H new ATOM 92 N VAL A 149 3.526 0.478 -3.446 1.00 0.00 N ATOM 93 CA VAL A 149 4.817 0.532 -2.704 1.00 0.00 C ATOM 94 C VAL A 149 5.841 1.335 -3.507 1.00 0.00 C ATOM 95 O VAL A 149 6.259 0.935 -4.574 1.00 0.00 O ATOM 96 CB VAL A 149 5.346 -0.887 -2.491 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.755 -0.827 -1.901 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.428 -1.638 -1.526 1.00 0.00 C ATOM 0 H VAL A 149 3.505 -0.162 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 149 4.654 1.011 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 149 5.373 -1.406 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.130 -1.839 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.414 -0.294 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.727 -0.304 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.807 -2.649 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.399 -1.115 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.422 -1.686 -1.943 1.00 0.00 H new ATOM 108 N ARG A 150 6.256 2.461 -2.996 1.00 0.00 N ATOM 109 CA ARG A 150 7.262 3.280 -3.726 1.00 0.00 C ATOM 110 C ARG A 150 8.659 2.802 -3.337 1.00 0.00 C ATOM 111 O ARG A 150 8.910 2.462 -2.199 1.00 0.00 O ATOM 112 CB ARG A 150 7.098 4.752 -3.345 1.00 0.00 C ATOM 113 CG ARG A 150 6.366 5.492 -4.466 1.00 0.00 C ATOM 114 CD ARG A 150 7.372 5.920 -5.535 1.00 0.00 C ATOM 115 NE ARG A 150 6.754 6.952 -6.413 1.00 0.00 N ATOM 116 CZ ARG A 150 6.193 8.006 -5.886 1.00 0.00 C ATOM 117 NH1 ARG A 150 6.564 8.422 -4.706 1.00 0.00 N ATOM 118 NH2 ARG A 150 5.261 8.643 -6.539 1.00 0.00 N ATOM 0 H ARG A 150 5.942 2.848 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 150 7.119 3.173 -4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.539 4.837 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 150 8.074 5.205 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.604 4.848 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.852 6.365 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 150 8.271 6.318 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 150 7.677 5.058 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 150 6.769 6.835 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 150 7.293 7.923 -4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 150 6.125 9.246 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.971 8.317 -7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.822 9.467 -6.128 1.00 0.00 H new ATOM 132 N GLN A 151 9.571 2.761 -4.266 1.00 0.00 N ATOM 133 CA GLN A 151 10.945 2.292 -3.932 1.00 0.00 C ATOM 134 C GLN A 151 11.936 3.451 -4.061 1.00 0.00 C ATOM 135 O GLN A 151 11.841 4.268 -4.955 1.00 0.00 O ATOM 136 CB GLN A 151 11.343 1.168 -4.887 1.00 0.00 C ATOM 137 CG GLN A 151 11.521 1.735 -6.296 1.00 0.00 C ATOM 138 CD GLN A 151 10.693 0.916 -7.288 1.00 0.00 C ATOM 139 OE1 GLN A 151 9.579 1.279 -7.611 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.192 -0.181 -7.787 1.00 0.00 N ATOM 0 H GLN A 151 9.426 3.031 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 151 10.961 1.923 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.269 0.702 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.578 0.391 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.208 2.779 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.574 1.711 -6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.127 -0.485 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 151 10.647 -0.734 -8.448 1.00 0.00 H new ATOM 149 N ARG A 152 12.890 3.524 -3.173 1.00 0.00 N ATOM 150 CA ARG A 152 13.893 4.624 -3.237 1.00 0.00 C ATOM 151 C ARG A 152 15.282 4.027 -3.480 1.00 0.00 C ATOM 152 O ARG A 152 15.493 2.850 -3.268 1.00 0.00 O ATOM 153 CB ARG A 152 13.893 5.389 -1.911 1.00 0.00 C ATOM 154 CG ARG A 152 12.687 6.328 -1.864 1.00 0.00 C ATOM 155 CD ARG A 152 12.972 7.570 -2.711 1.00 0.00 C ATOM 156 NE ARG A 152 12.619 8.793 -1.937 1.00 0.00 N ATOM 157 CZ ARG A 152 11.464 9.371 -2.120 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.399 8.905 -1.526 1.00 0.00 N ATOM 159 NH2 ARG A 152 11.374 10.415 -2.897 1.00 0.00 N ATOM 0 H ARG A 152 13.018 2.867 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 152 13.640 5.305 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.856 4.690 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.816 5.960 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.800 5.816 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.478 6.618 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 152 14.025 7.597 -2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.395 7.533 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 152 13.281 9.179 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.470 8.089 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.496 9.357 -1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 152 12.206 10.779 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.471 10.868 -3.041 1.00 0.00 H new ATOM 173 N PRO A 153 16.191 4.861 -3.915 1.00 0.00 N ATOM 174 CA PRO A 153 17.576 4.445 -4.194 1.00 0.00 C ATOM 175 C PRO A 153 18.362 4.308 -2.888 1.00 0.00 C ATOM 176 O PRO A 153 19.324 3.571 -2.806 1.00 0.00 O ATOM 177 CB PRO A 153 18.129 5.588 -5.050 1.00 0.00 C ATOM 178 CG PRO A 153 17.250 6.825 -4.746 1.00 0.00 C ATOM 179 CD PRO A 153 15.926 6.292 -4.167 1.00 0.00 C ATOM 0 HA PRO A 153 17.644 3.478 -4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.173 5.785 -4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.090 5.334 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.745 7.487 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.071 7.405 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.654 6.814 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.102 6.427 -4.868 1.00 0.00 H new ATOM 187 N TRP A 154 17.957 5.010 -1.865 1.00 0.00 N ATOM 188 CA TRP A 154 18.679 4.917 -0.566 1.00 0.00 C ATOM 189 C TRP A 154 18.479 3.522 0.030 1.00 0.00 C ATOM 190 O TRP A 154 19.400 2.919 0.545 1.00 0.00 O ATOM 191 CB TRP A 154 18.131 5.968 0.401 1.00 0.00 C ATOM 192 CG TRP A 154 19.261 6.559 1.181 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.138 5.855 1.932 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.652 7.958 1.299 1.00 0.00 C ATOM 195 NE1 TRP A 154 21.042 6.731 2.503 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.784 8.039 2.143 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.137 9.152 0.759 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.386 9.263 2.442 1.00 0.00 C ATOM 199 CZ3 TRP A 154 19.740 10.386 1.057 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.862 10.441 1.897 1.00 0.00 C ATOM 0 H TRP A 154 17.158 5.643 -1.873 1.00 0.00 H new ATOM 0 HA TRP A 154 19.742 5.094 -0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.608 6.749 -0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.406 5.514 1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.133 4.783 2.064 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.806 6.446 3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 154 18.273 9.119 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.250 9.300 3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 19.338 11.296 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 154 21.321 11.392 2.123 1.00 0.00 H new ATOM 211 N GLY A 155 17.283 3.004 -0.034 1.00 0.00 N ATOM 212 CA GLY A 155 17.027 1.648 0.529 1.00 0.00 C ATOM 213 C GLY A 155 15.752 1.675 1.374 1.00 0.00 C ATOM 214 O GLY A 155 15.664 1.027 2.398 1.00 0.00 O ATOM 0 H GLY A 155 16.472 3.461 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.925 0.922 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.873 1.331 1.139 1.00 0.00 H new ATOM 218 N LYS A 156 14.765 2.416 0.954 1.00 0.00 N ATOM 219 CA LYS A 156 13.498 2.480 1.735 1.00 0.00 C ATOM 220 C LYS A 156 12.305 2.359 0.784 1.00 0.00 C ATOM 221 O LYS A 156 12.450 2.408 -0.421 1.00 0.00 O ATOM 222 CB LYS A 156 13.416 3.816 2.477 1.00 0.00 C ATOM 223 CG LYS A 156 14.757 4.121 3.147 1.00 0.00 C ATOM 224 CD LYS A 156 14.961 5.635 3.211 1.00 0.00 C ATOM 225 CE LYS A 156 16.074 5.961 4.207 1.00 0.00 C ATOM 226 NZ LYS A 156 16.615 7.320 3.923 1.00 0.00 N ATOM 0 H LYS A 156 14.781 2.980 0.104 1.00 0.00 H new ATOM 0 HA LYS A 156 13.479 1.662 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.157 4.614 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.625 3.778 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.779 3.697 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.569 3.657 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.218 6.019 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.035 6.124 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.689 5.917 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.869 5.219 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 17.372 7.541 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.997 7.346 2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.854 8.023 4.013 1.00 0.00 H new ATOM 240 N PHE A 157 11.123 2.212 1.319 1.00 0.00 N ATOM 241 CA PHE A 157 9.918 2.099 0.451 1.00 0.00 C ATOM 242 C PHE A 157 8.768 2.872 1.094 1.00 0.00 C ATOM 243 O PHE A 157 8.953 3.591 2.055 1.00 0.00 O ATOM 244 CB PHE A 157 9.518 0.627 0.306 1.00 0.00 C ATOM 245 CG PHE A 157 10.490 -0.081 -0.609 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.714 -0.540 -0.108 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.165 -0.284 -1.958 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.614 -1.201 -0.953 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.066 -0.945 -2.803 1.00 0.00 C ATOM 250 CZ PHE A 157 12.290 -1.404 -2.300 1.00 0.00 C ATOM 0 H PHE A 157 10.941 2.165 2.321 1.00 0.00 H new ATOM 0 HA PHE A 157 10.140 2.509 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.509 0.145 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.507 0.553 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.964 -0.384 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.221 0.069 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.558 -1.554 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.817 -1.101 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.984 -1.915 -2.951 1.00 0.00 H new ATOM 260 N ALA A 158 7.577 2.730 0.578 1.00 0.00 N ATOM 261 CA ALA A 158 6.423 3.458 1.175 1.00 0.00 C ATOM 262 C ALA A 158 5.116 2.778 0.776 1.00 0.00 C ATOM 263 O ALA A 158 4.731 2.772 -0.377 1.00 0.00 O ATOM 264 CB ALA A 158 6.412 4.907 0.683 1.00 0.00 C ATOM 0 H ALA A 158 7.355 2.144 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 158 6.521 3.444 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.566 5.434 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.339 5.399 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.324 4.922 -0.403 1.00 0.00 H new ATOM 270 N ALA A 159 4.427 2.214 1.727 1.00 0.00 N ATOM 271 CA ALA A 159 3.137 1.542 1.416 1.00 0.00 C ATOM 272 C ALA A 159 2.018 2.585 1.448 1.00 0.00 C ATOM 273 O ALA A 159 1.827 3.272 2.433 1.00 0.00 O ATOM 274 CB ALA A 159 2.867 0.460 2.465 1.00 0.00 C ATOM 0 H ALA A 159 4.703 2.190 2.709 1.00 0.00 H new ATOM 0 HA ALA A 159 3.181 1.082 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.922 -0.036 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.674 -0.272 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.812 0.917 3.453 1.00 0.00 H new ATOM 280 N GLU A 160 1.282 2.720 0.380 1.00 0.00 N ATOM 281 CA GLU A 160 0.184 3.727 0.357 1.00 0.00 C ATOM 282 C GLU A 160 -1.022 3.157 -0.392 1.00 0.00 C ATOM 283 O GLU A 160 -0.939 2.127 -1.030 1.00 0.00 O ATOM 284 CB GLU A 160 0.667 4.996 -0.349 1.00 0.00 C ATOM 285 CG GLU A 160 2.139 5.243 -0.011 1.00 0.00 C ATOM 286 CD GLU A 160 2.696 6.336 -0.926 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.973 6.764 -1.813 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.833 6.729 -0.726 1.00 0.00 O ATOM 0 H GLU A 160 1.393 2.178 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.105 3.967 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.543 4.894 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.064 5.849 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.238 5.542 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.711 4.323 -0.135 1.00 0.00 H new ATOM 295 N ILE A 161 -2.141 3.821 -0.318 1.00 0.00 N ATOM 296 CA ILE A 161 -3.356 3.325 -1.021 1.00 0.00 C ATOM 297 C ILE A 161 -4.256 4.516 -1.360 1.00 0.00 C ATOM 298 O ILE A 161 -4.527 5.357 -0.527 1.00 0.00 O ATOM 299 CB ILE A 161 -4.105 2.349 -0.109 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.306 1.768 -0.856 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.591 3.082 1.140 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.847 0.564 -0.084 1.00 0.00 C ATOM 0 H ILE A 161 -2.267 4.690 0.201 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.073 2.811 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.432 1.542 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -6.083 2.525 -0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.013 1.468 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.124 2.385 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.736 3.494 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.261 3.891 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.704 0.147 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.068 -0.194 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.155 0.880 0.913 1.00 0.00 H new ATOM 314 N ARG A 162 -4.713 4.602 -2.580 1.00 0.00 N ATOM 315 CA ARG A 162 -5.583 5.750 -2.968 1.00 0.00 C ATOM 316 C ARG A 162 -7.057 5.358 -2.834 1.00 0.00 C ATOM 317 O ARG A 162 -7.536 4.462 -3.498 1.00 0.00 O ATOM 318 CB ARG A 162 -5.288 6.146 -4.416 1.00 0.00 C ATOM 319 CG ARG A 162 -5.877 5.102 -5.367 1.00 0.00 C ATOM 320 CD ARG A 162 -5.065 5.080 -6.663 1.00 0.00 C ATOM 321 NE ARG A 162 -5.717 4.167 -7.645 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.009 3.614 -8.592 1.00 0.00 C ATOM 323 NH1 ARG A 162 -3.933 4.208 -9.033 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.376 2.469 -9.097 1.00 0.00 N ATOM 0 H ARG A 162 -4.523 3.930 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.378 6.594 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.713 7.127 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.212 6.225 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -5.862 4.118 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.919 5.337 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.995 6.086 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.047 4.746 -6.461 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.716 3.975 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.646 5.103 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.379 3.777 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.216 2.005 -8.752 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.823 2.037 -9.837 1.00 0.00 H new ATOM 338 N ASP A 163 -7.779 6.036 -1.984 1.00 0.00 N ATOM 339 CA ASP A 163 -9.223 5.718 -1.807 1.00 0.00 C ATOM 340 C ASP A 163 -10.063 6.849 -2.419 1.00 0.00 C ATOM 341 O ASP A 163 -10.135 7.928 -1.865 1.00 0.00 O ATOM 342 CB ASP A 163 -9.539 5.601 -0.313 1.00 0.00 C ATOM 343 CG ASP A 163 -10.939 5.013 -0.131 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.865 5.544 -0.720 1.00 0.00 O ATOM 345 OD2 ASP A 163 -11.061 4.040 0.597 1.00 0.00 O ATOM 0 H ASP A 163 -7.429 6.798 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.457 4.775 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.800 4.967 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.481 6.582 0.160 1.00 0.00 H new ATOM 350 N PRO A 164 -10.670 6.572 -3.547 1.00 0.00 N ATOM 351 CA PRO A 164 -11.507 7.557 -4.256 1.00 0.00 C ATOM 352 C PRO A 164 -12.867 7.695 -3.571 1.00 0.00 C ATOM 353 O PRO A 164 -13.494 8.735 -3.616 1.00 0.00 O ATOM 354 CB PRO A 164 -11.654 6.962 -5.658 1.00 0.00 C ATOM 355 CG PRO A 164 -11.388 5.445 -5.517 1.00 0.00 C ATOM 356 CD PRO A 164 -10.587 5.258 -4.216 1.00 0.00 C ATOM 0 HA PRO A 164 -11.075 8.557 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.652 7.146 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -10.946 7.418 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.325 4.889 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.829 5.068 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.012 4.468 -3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.553 4.980 -4.421 1.00 0.00 H new ATOM 364 N ALA A 165 -13.328 6.655 -2.934 1.00 0.00 N ATOM 365 CA ALA A 165 -14.643 6.729 -2.246 1.00 0.00 C ATOM 366 C ALA A 165 -14.593 7.822 -1.178 1.00 0.00 C ATOM 367 O ALA A 165 -15.609 8.283 -0.700 1.00 0.00 O ATOM 368 CB ALA A 165 -14.953 5.386 -1.584 1.00 0.00 C ATOM 0 H ALA A 165 -12.849 5.757 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.421 6.961 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.918 5.443 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.986 4.605 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -14.177 5.152 -0.856 1.00 0.00 H new ATOM 374 N LYS A 166 -13.416 8.240 -0.801 1.00 0.00 N ATOM 375 CA LYS A 166 -13.302 9.301 0.238 1.00 0.00 C ATOM 376 C LYS A 166 -13.169 10.667 -0.438 1.00 0.00 C ATOM 377 O LYS A 166 -12.504 11.554 0.059 1.00 0.00 O ATOM 378 CB LYS A 166 -12.070 9.036 1.104 1.00 0.00 C ATOM 379 CG LYS A 166 -12.316 7.806 1.982 1.00 0.00 C ATOM 380 CD LYS A 166 -11.515 7.939 3.278 1.00 0.00 C ATOM 381 CE LYS A 166 -11.987 6.886 4.285 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.286 7.314 4.878 1.00 0.00 N ATOM 0 H LYS A 166 -12.530 7.893 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.194 9.293 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.196 8.876 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.858 9.904 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -13.379 7.712 2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -12.021 6.901 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.452 7.811 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.642 8.938 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.100 5.921 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.241 6.757 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -13.482 6.749 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -13.235 8.320 5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -14.048 7.172 4.184 1.00 0.00 H new ATOM 396 N ASN A 167 -13.797 10.844 -1.570 1.00 0.00 N ATOM 397 CA ASN A 167 -13.708 12.153 -2.277 1.00 0.00 C ATOM 398 C ASN A 167 -12.246 12.452 -2.618 1.00 0.00 C ATOM 399 O ASN A 167 -11.800 13.579 -2.549 1.00 0.00 O ATOM 400 CB ASN A 167 -14.261 13.258 -1.373 1.00 0.00 C ATOM 401 CG ASN A 167 -15.639 13.690 -1.880 1.00 0.00 C ATOM 402 OD1 ASN A 167 -16.297 12.953 -2.587 1.00 0.00 O ATOM 403 ND2 ASN A 167 -16.107 14.862 -1.545 1.00 0.00 N ATOM 0 H ASN A 167 -14.368 10.138 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.291 12.111 -3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.335 12.899 -0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.581 14.110 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -17.025 15.159 -1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.555 15.481 -0.951 1.00 0.00 H new ATOM 410 N GLY A 168 -11.497 11.449 -2.989 1.00 0.00 N ATOM 411 CA GLY A 168 -10.065 11.675 -3.337 1.00 0.00 C ATOM 412 C GLY A 168 -9.251 11.872 -2.057 1.00 0.00 C ATOM 413 O GLY A 168 -8.992 12.984 -1.640 1.00 0.00 O ATOM 0 H GLY A 168 -11.815 10.483 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.678 10.825 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.970 12.551 -3.979 1.00 0.00 H new ATOM 417 N ALA A 169 -8.844 10.802 -1.430 1.00 0.00 N ATOM 418 CA ALA A 169 -8.047 10.928 -0.177 1.00 0.00 C ATOM 419 C ALA A 169 -6.902 9.912 -0.196 1.00 0.00 C ATOM 420 O ALA A 169 -7.120 8.718 -0.251 1.00 0.00 O ATOM 421 CB ALA A 169 -8.950 10.658 1.029 1.00 0.00 C ATOM 0 H ALA A 169 -9.029 9.845 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.637 11.935 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.369 10.750 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.765 11.381 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.360 9.650 0.958 1.00 0.00 H new ATOM 427 N ARG A 170 -5.683 10.377 -0.153 1.00 0.00 N ATOM 428 CA ARG A 170 -4.525 9.439 -0.171 1.00 0.00 C ATOM 429 C ARG A 170 -4.328 8.834 1.221 1.00 0.00 C ATOM 430 O ARG A 170 -4.644 9.442 2.224 1.00 0.00 O ATOM 431 CB ARG A 170 -3.259 10.198 -0.577 1.00 0.00 C ATOM 432 CG ARG A 170 -3.246 10.398 -2.094 1.00 0.00 C ATOM 433 CD ARG A 170 -2.760 9.117 -2.773 1.00 0.00 C ATOM 434 NE ARG A 170 -2.075 9.461 -4.051 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.009 8.803 -4.418 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.930 7.517 -4.204 1.00 0.00 N ATOM 437 NH2 ARG A 170 -0.023 9.430 -4.998 1.00 0.00 N ATOM 0 H ARG A 170 -5.439 11.366 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.720 8.642 -0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -3.224 11.163 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.374 9.643 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -4.246 10.652 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.594 11.231 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.077 8.581 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.603 8.453 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.439 10.211 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.701 7.027 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -0.097 7.003 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.085 10.434 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.810 8.916 -5.285 1.00 0.00 H new ATOM 451 N VAL A 171 -3.802 7.642 1.288 1.00 0.00 N ATOM 452 CA VAL A 171 -3.576 6.995 2.612 1.00 0.00 C ATOM 453 C VAL A 171 -2.143 6.456 2.666 1.00 0.00 C ATOM 454 O VAL A 171 -1.844 5.407 2.131 1.00 0.00 O ATOM 455 CB VAL A 171 -4.574 5.847 2.796 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.094 4.909 3.908 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.941 6.422 3.176 1.00 0.00 C ATOM 0 H VAL A 171 -3.518 7.087 0.481 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.720 7.722 3.411 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.652 5.288 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.809 4.096 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.120 4.498 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.011 5.465 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.654 5.608 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.854 6.983 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.290 7.085 2.384 1.00 0.00 H new ATOM 467 N TRP A 172 -1.257 7.169 3.304 1.00 0.00 N ATOM 468 CA TRP A 172 0.157 6.705 3.390 1.00 0.00 C ATOM 469 C TRP A 172 0.323 5.778 4.597 1.00 0.00 C ATOM 470 O TRP A 172 0.445 6.223 5.721 1.00 0.00 O ATOM 471 CB TRP A 172 1.075 7.918 3.545 1.00 0.00 C ATOM 472 CG TRP A 172 2.502 7.472 3.593 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.043 6.700 4.565 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.577 7.759 2.653 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.381 6.500 4.282 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.757 7.130 3.116 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.643 8.496 1.456 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.959 7.229 2.421 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.853 8.597 0.749 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.010 7.964 1.231 1.00 0.00 C ATOM 0 H TRP A 172 -1.451 8.055 3.771 1.00 0.00 H new ATOM 0 HA TRP A 172 0.419 6.161 2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.927 8.606 2.712 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.824 8.462 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.516 6.305 5.421 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.013 5.952 4.866 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.758 8.987 1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.846 6.742 2.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.893 9.164 -0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.938 8.044 0.684 1.00 0.00 H new ATOM 491 N LEU A 173 0.326 4.493 4.372 1.00 0.00 N ATOM 492 CA LEU A 173 0.484 3.535 5.505 1.00 0.00 C ATOM 493 C LEU A 173 1.765 3.861 6.277 1.00 0.00 C ATOM 494 O LEU A 173 1.754 4.002 7.483 1.00 0.00 O ATOM 495 CB LEU A 173 0.566 2.108 4.958 1.00 0.00 C ATOM 496 CG LEU A 173 -0.846 1.555 4.756 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.100 1.338 3.263 1.00 0.00 C ATOM 498 CD2 LEU A 173 -0.979 0.221 5.495 1.00 0.00 C ATOM 0 H LEU A 173 0.226 4.064 3.452 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.373 3.620 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.109 2.100 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 173 1.121 1.474 5.650 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.575 2.264 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.106 0.944 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.003 2.287 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.372 0.628 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -1.984 -0.175 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.251 -0.488 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.797 0.375 6.559 1.00 0.00 H new ATOM 510 N GLY A 174 2.871 3.982 5.592 1.00 0.00 N ATOM 511 CA GLY A 174 4.148 4.299 6.291 1.00 0.00 C ATOM 512 C GLY A 174 5.328 3.765 5.477 1.00 0.00 C ATOM 513 O GLY A 174 5.201 2.820 4.723 1.00 0.00 O ATOM 0 H GLY A 174 2.944 3.875 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.243 5.377 6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.149 3.854 7.286 1.00 0.00 H new ATOM 517 N THR A 175 6.478 4.367 5.623 1.00 0.00 N ATOM 518 CA THR A 175 7.668 3.900 4.858 1.00 0.00 C ATOM 519 C THR A 175 8.155 2.567 5.427 1.00 0.00 C ATOM 520 O THR A 175 8.034 2.300 6.606 1.00 0.00 O ATOM 521 CB THR A 175 8.783 4.941 4.967 1.00 0.00 C ATOM 522 OG1 THR A 175 9.490 4.752 6.184 1.00 0.00 O ATOM 523 CG2 THR A 175 8.177 6.344 4.939 1.00 0.00 C ATOM 0 H THR A 175 6.644 5.162 6.240 1.00 0.00 H new ATOM 0 HA THR A 175 7.396 3.766 3.811 1.00 0.00 H new ATOM 0 HB THR A 175 9.469 4.827 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.206 5.418 6.253 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.972 7.085 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.637 6.488 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.489 6.460 5.777 1.00 0.00 H new ATOM 531 N PHE A 176 8.703 1.727 4.594 1.00 0.00 N ATOM 532 CA PHE A 176 9.199 0.410 5.077 1.00 0.00 C ATOM 533 C PHE A 176 10.687 0.278 4.744 1.00 0.00 C ATOM 534 O PHE A 176 11.328 1.231 4.350 1.00 0.00 O ATOM 535 CB PHE A 176 8.411 -0.707 4.390 1.00 0.00 C ATOM 536 CG PHE A 176 7.029 -0.771 4.988 1.00 0.00 C ATOM 537 CD1 PHE A 176 6.034 0.114 4.553 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.742 -1.711 5.986 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.754 0.058 5.115 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.463 -1.766 6.550 1.00 0.00 C ATOM 541 CZ PHE A 176 4.466 -0.881 6.114 1.00 0.00 C ATOM 0 H PHE A 176 8.829 1.897 3.596 1.00 0.00 H new ATOM 0 HA PHE A 176 9.064 0.335 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.349 -0.520 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.921 -1.662 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.255 0.839 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.509 -2.394 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.987 0.740 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 176 5.243 -2.490 7.321 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.478 -0.923 6.548 1.00 0.00 H new ATOM 551 N GLU A 177 11.242 -0.892 4.896 1.00 0.00 N ATOM 552 CA GLU A 177 12.691 -1.071 4.582 1.00 0.00 C ATOM 553 C GLU A 177 12.834 -1.739 3.213 1.00 0.00 C ATOM 554 O GLU A 177 13.828 -1.574 2.534 1.00 0.00 O ATOM 555 CB GLU A 177 13.359 -1.940 5.654 1.00 0.00 C ATOM 556 CG GLU A 177 12.342 -2.923 6.234 1.00 0.00 C ATOM 557 CD GLU A 177 13.044 -3.870 7.209 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.172 -4.243 6.933 1.00 0.00 O ATOM 559 OE2 GLU A 177 12.442 -4.204 8.216 1.00 0.00 O ATOM 0 H GLU A 177 10.760 -1.729 5.222 1.00 0.00 H new ATOM 0 HA GLU A 177 13.178 -0.096 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 177 14.199 -2.484 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.762 -1.310 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 177 11.548 -2.380 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 177 11.873 -3.493 5.432 1.00 0.00 H new ATOM 566 N THR A 178 11.847 -2.484 2.799 1.00 0.00 N ATOM 567 CA THR A 178 11.925 -3.152 1.469 1.00 0.00 C ATOM 568 C THR A 178 10.565 -3.052 0.772 1.00 0.00 C ATOM 569 O THR A 178 9.599 -2.585 1.342 1.00 0.00 O ATOM 570 CB THR A 178 12.310 -4.625 1.651 1.00 0.00 C ATOM 571 OG1 THR A 178 11.161 -5.382 2.009 1.00 0.00 O ATOM 572 CG2 THR A 178 13.363 -4.747 2.752 1.00 0.00 C ATOM 0 H THR A 178 10.990 -2.659 3.324 1.00 0.00 H new ATOM 0 HA THR A 178 12.682 -2.661 0.858 1.00 0.00 H new ATOM 0 HB THR A 178 12.716 -5.007 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.411 -6.323 2.123 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.636 -5.795 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.247 -4.173 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.958 -4.360 3.687 1.00 0.00 H new ATOM 580 N ALA A 179 10.481 -3.487 -0.456 1.00 0.00 N ATOM 581 CA ALA A 179 9.185 -3.415 -1.185 1.00 0.00 C ATOM 582 C ALA A 179 8.268 -4.549 -0.723 1.00 0.00 C ATOM 583 O ALA A 179 7.062 -4.444 -0.788 1.00 0.00 O ATOM 584 CB ALA A 179 9.437 -3.550 -2.687 1.00 0.00 C ATOM 0 H ALA A 179 11.255 -3.889 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 179 8.709 -2.457 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.488 -3.497 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.087 -2.741 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.916 -4.508 -2.891 1.00 0.00 H new ATOM 590 N GLU A 180 8.826 -5.636 -0.263 1.00 0.00 N ATOM 591 CA GLU A 180 7.974 -6.773 0.195 1.00 0.00 C ATOM 592 C GLU A 180 7.297 -6.413 1.519 1.00 0.00 C ATOM 593 O GLU A 180 6.156 -6.756 1.757 1.00 0.00 O ATOM 594 CB GLU A 180 8.846 -8.015 0.388 1.00 0.00 C ATOM 595 CG GLU A 180 7.968 -9.193 0.818 1.00 0.00 C ATOM 596 CD GLU A 180 8.321 -9.600 2.250 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.046 -8.861 2.894 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.857 -10.645 2.678 1.00 0.00 O ATOM 0 H GLU A 180 9.832 -5.787 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 180 7.209 -6.976 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.366 -8.255 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.610 -7.823 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.915 -8.917 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.116 -10.036 0.143 1.00 0.00 H new ATOM 605 N ASP A 181 7.989 -5.724 2.381 1.00 0.00 N ATOM 606 CA ASP A 181 7.388 -5.342 3.689 1.00 0.00 C ATOM 607 C ASP A 181 6.349 -4.241 3.467 1.00 0.00 C ATOM 608 O ASP A 181 5.303 -4.229 4.083 1.00 0.00 O ATOM 609 CB ASP A 181 8.485 -4.831 4.627 1.00 0.00 C ATOM 610 CG ASP A 181 9.811 -5.527 4.308 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.795 -6.732 4.124 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.818 -4.842 4.252 1.00 0.00 O ATOM 0 H ASP A 181 8.948 -5.408 2.236 1.00 0.00 H new ATOM 0 HA ASP A 181 6.907 -6.211 4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.595 -3.752 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.206 -5.019 5.664 1.00 0.00 H new ATOM 617 N ALA A 182 6.627 -3.316 2.589 1.00 0.00 N ATOM 618 CA ALA A 182 5.652 -2.221 2.327 1.00 0.00 C ATOM 619 C ALA A 182 4.463 -2.783 1.547 1.00 0.00 C ATOM 620 O ALA A 182 3.344 -2.330 1.687 1.00 0.00 O ATOM 621 CB ALA A 182 6.327 -1.117 1.510 1.00 0.00 C ATOM 0 H ALA A 182 7.487 -3.272 2.042 1.00 0.00 H new ATOM 0 HA ALA A 182 5.305 -1.805 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.612 -0.317 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.176 -0.720 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.674 -1.527 0.562 1.00 0.00 H new ATOM 627 N ALA A 183 4.695 -3.776 0.735 1.00 0.00 N ATOM 628 CA ALA A 183 3.578 -4.379 -0.043 1.00 0.00 C ATOM 629 C ALA A 183 2.713 -5.204 0.910 1.00 0.00 C ATOM 630 O ALA A 183 1.504 -5.248 0.790 1.00 0.00 O ATOM 631 CB ALA A 183 4.146 -5.279 -1.144 1.00 0.00 C ATOM 0 H ALA A 183 5.611 -4.196 0.576 1.00 0.00 H new ATOM 0 HA ALA A 183 2.976 -3.596 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.327 -5.720 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.773 -4.687 -1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.743 -6.072 -0.694 1.00 0.00 H new ATOM 637 N LEU A 184 3.327 -5.842 1.867 1.00 0.00 N ATOM 638 CA LEU A 184 2.554 -6.654 2.848 1.00 0.00 C ATOM 639 C LEU A 184 1.642 -5.726 3.647 1.00 0.00 C ATOM 640 O LEU A 184 0.456 -5.964 3.792 1.00 0.00 O ATOM 641 CB LEU A 184 3.527 -7.360 3.790 1.00 0.00 C ATOM 642 CG LEU A 184 2.876 -8.630 4.336 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.542 -8.282 4.999 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.636 -9.615 3.191 1.00 0.00 C ATOM 0 H LEU A 184 4.337 -5.836 2.013 1.00 0.00 H new ATOM 0 HA LEU A 184 1.951 -7.399 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.447 -7.609 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.801 -6.697 4.611 1.00 0.00 H new ATOM 0 HG LEU A 184 3.537 -9.085 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.081 -9.190 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.714 -7.584 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.879 -7.824 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.172 -10.521 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.978 -9.160 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.587 -9.868 2.723 1.00 0.00 H new ATOM 656 N ALA A 185 2.186 -4.659 4.159 1.00 0.00 N ATOM 657 CA ALA A 185 1.359 -3.701 4.942 1.00 0.00 C ATOM 658 C ALA A 185 0.265 -3.134 4.035 1.00 0.00 C ATOM 659 O ALA A 185 -0.819 -2.811 4.478 1.00 0.00 O ATOM 660 CB ALA A 185 2.246 -2.563 5.452 1.00 0.00 C ATOM 0 H ALA A 185 3.171 -4.408 4.069 1.00 0.00 H new ATOM 0 HA ALA A 185 0.904 -4.210 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.642 -1.860 6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 185 3.031 -2.971 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.698 -2.046 4.605 1.00 0.00 H new ATOM 666 N TYR A 186 0.542 -3.018 2.764 1.00 0.00 N ATOM 667 CA TYR A 186 -0.478 -2.480 1.823 1.00 0.00 C ATOM 668 C TYR A 186 -1.639 -3.470 1.715 1.00 0.00 C ATOM 669 O TYR A 186 -2.775 -3.090 1.524 1.00 0.00 O ATOM 670 CB TYR A 186 0.152 -2.290 0.441 1.00 0.00 C ATOM 671 CG TYR A 186 -0.930 -1.997 -0.569 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.736 -3.036 -1.053 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.129 -0.688 -1.022 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.742 -2.765 -1.989 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.136 -0.416 -1.958 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.942 -1.455 -2.442 1.00 0.00 C ATOM 677 OH TYR A 186 -3.933 -1.187 -3.365 1.00 0.00 O ATOM 0 H TYR A 186 1.433 -3.274 2.338 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.844 -1.522 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.871 -1.472 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.700 -3.187 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.581 -4.046 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.507 0.113 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.363 -3.566 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.291 0.595 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.938 -0.229 -3.571 1.00 0.00 H new ATOM 687 N ASP A 187 -1.360 -4.738 1.831 1.00 0.00 N ATOM 688 CA ASP A 187 -2.444 -5.751 1.733 1.00 0.00 C ATOM 689 C ASP A 187 -3.403 -5.585 2.912 1.00 0.00 C ATOM 690 O ASP A 187 -4.594 -5.791 2.793 1.00 0.00 O ATOM 691 CB ASP A 187 -1.826 -7.148 1.777 1.00 0.00 C ATOM 692 CG ASP A 187 -1.288 -7.519 0.395 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.018 -6.615 -0.378 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.155 -8.704 0.131 1.00 0.00 O ATOM 0 H ASP A 187 -0.426 -5.116 1.990 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.990 -5.617 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.020 -7.177 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.572 -7.876 2.095 1.00 0.00 H new ATOM 699 N ARG A 188 -2.886 -5.226 4.055 1.00 0.00 N ATOM 700 CA ARG A 188 -3.761 -5.058 5.252 1.00 0.00 C ATOM 701 C ARG A 188 -4.622 -3.798 5.114 1.00 0.00 C ATOM 702 O ARG A 188 -5.820 -3.832 5.306 1.00 0.00 O ATOM 703 CB ARG A 188 -2.893 -4.941 6.507 1.00 0.00 C ATOM 704 CG ARG A 188 -3.472 -5.826 7.611 1.00 0.00 C ATOM 705 CD ARG A 188 -2.332 -6.513 8.366 1.00 0.00 C ATOM 706 NE ARG A 188 -1.436 -7.198 7.394 1.00 0.00 N ATOM 707 CZ ARG A 188 -1.714 -8.409 6.993 1.00 0.00 C ATOM 708 NH1 ARG A 188 -1.307 -9.435 7.688 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.401 -8.592 5.899 1.00 0.00 N ATOM 0 H ARG A 188 -1.895 -5.041 4.213 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.415 -5.927 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.870 -5.242 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.854 -3.904 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.067 -5.225 8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.139 -6.573 7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.768 -5.779 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.735 -7.235 9.077 1.00 0.00 H new ATOM 0 HE ARG A 188 -0.606 -6.722 7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.772 -9.291 8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -1.524 -10.381 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -2.721 -7.789 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.618 -9.538 5.585 1.00 0.00 H new ATOM 723 N ALA A 189 -4.020 -2.687 4.799 1.00 0.00 N ATOM 724 CA ALA A 189 -4.805 -1.424 4.666 1.00 0.00 C ATOM 725 C ALA A 189 -5.738 -1.510 3.454 1.00 0.00 C ATOM 726 O ALA A 189 -6.761 -0.856 3.400 1.00 0.00 O ATOM 727 CB ALA A 189 -3.846 -0.244 4.486 1.00 0.00 C ATOM 0 H ALA A 189 -3.019 -2.596 4.627 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.402 -1.280 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.418 0.678 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.189 -0.174 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.247 -0.396 3.588 1.00 0.00 H new ATOM 733 N ALA A 190 -5.394 -2.307 2.482 1.00 0.00 N ATOM 734 CA ALA A 190 -6.261 -2.425 1.275 1.00 0.00 C ATOM 735 C ALA A 190 -7.408 -3.397 1.559 1.00 0.00 C ATOM 736 O ALA A 190 -8.480 -3.279 1.003 1.00 0.00 O ATOM 737 CB ALA A 190 -5.430 -2.940 0.098 1.00 0.00 C ATOM 0 H ALA A 190 -4.551 -2.882 2.470 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.672 -1.446 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.064 -3.026 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.617 -2.243 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.016 -3.918 0.345 1.00 0.00 H new ATOM 743 N PHE A 191 -7.197 -4.352 2.422 1.00 0.00 N ATOM 744 CA PHE A 191 -8.290 -5.315 2.734 1.00 0.00 C ATOM 745 C PHE A 191 -9.277 -4.653 3.694 1.00 0.00 C ATOM 746 O PHE A 191 -10.426 -5.036 3.781 1.00 0.00 O ATOM 747 CB PHE A 191 -7.706 -6.572 3.383 1.00 0.00 C ATOM 748 CG PHE A 191 -8.569 -7.762 3.033 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.671 -8.089 3.834 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.267 -8.538 1.906 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.471 -9.192 3.507 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.068 -9.641 1.580 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.170 -9.968 2.381 1.00 0.00 C ATOM 0 H PHE A 191 -6.321 -4.507 2.922 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.802 -5.597 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.685 -6.734 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.659 -6.448 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -9.904 -7.491 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.417 -8.286 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.321 -9.444 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.836 -10.239 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.787 -10.818 2.130 1.00 0.00 H new ATOM 763 N ARG A 192 -8.842 -3.653 4.410 1.00 0.00 N ATOM 764 CA ARG A 192 -9.758 -2.960 5.357 1.00 0.00 C ATOM 765 C ARG A 192 -10.732 -2.092 4.561 1.00 0.00 C ATOM 766 O ARG A 192 -11.932 -2.153 4.743 1.00 0.00 O ATOM 767 CB ARG A 192 -8.943 -2.075 6.301 1.00 0.00 C ATOM 768 CG ARG A 192 -8.752 -2.790 7.640 1.00 0.00 C ATOM 769 CD ARG A 192 -7.560 -2.176 8.380 1.00 0.00 C ATOM 770 NE ARG A 192 -7.720 -0.696 8.440 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.300 -0.035 9.485 1.00 0.00 C ATOM 772 NH1 ARG A 192 -6.321 -0.509 10.207 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.859 1.100 9.807 1.00 0.00 N ATOM 0 H ARG A 192 -7.891 -3.286 4.380 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.310 -3.696 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.974 -1.849 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.453 -1.124 6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.655 -2.700 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -8.583 -3.854 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -7.494 -2.586 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -6.631 -2.431 7.870 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.158 -0.199 7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -5.884 -1.396 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -5.993 0.007 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.624 1.470 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.531 1.617 10.623 1.00 0.00 H new ATOM 787 N MET A 193 -10.219 -1.288 3.675 1.00 0.00 N ATOM 788 CA MET A 193 -11.102 -0.412 2.854 1.00 0.00 C ATOM 789 C MET A 193 -11.870 -1.266 1.845 1.00 0.00 C ATOM 790 O MET A 193 -13.020 -1.012 1.543 1.00 0.00 O ATOM 791 CB MET A 193 -10.245 0.602 2.099 1.00 0.00 C ATOM 792 CG MET A 193 -10.191 1.915 2.882 1.00 0.00 C ATOM 793 SD MET A 193 -8.480 2.266 3.357 1.00 0.00 S ATOM 794 CE MET A 193 -7.935 2.922 1.761 1.00 0.00 C ATOM 0 H MET A 193 -9.221 -1.198 3.482 1.00 0.00 H new ATOM 0 HA MET A 193 -11.804 0.108 3.505 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.238 0.209 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.660 0.776 1.106 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.585 2.729 2.274 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.819 1.847 3.770 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.287 2.195 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.804 3.116 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.386 3.850 1.918 1.00 0.00 H new ATOM 804 N ARG A 194 -11.239 -2.280 1.324 1.00 0.00 N ATOM 805 CA ARG A 194 -11.920 -3.159 0.336 1.00 0.00 C ATOM 806 C ARG A 194 -12.310 -4.464 1.023 1.00 0.00 C ATOM 807 O ARG A 194 -12.244 -5.526 0.437 1.00 0.00 O ATOM 808 CB ARG A 194 -10.970 -3.457 -0.828 1.00 0.00 C ATOM 809 CG ARG A 194 -10.991 -2.289 -1.817 1.00 0.00 C ATOM 810 CD ARG A 194 -10.394 -2.738 -3.153 1.00 0.00 C ATOM 811 NE ARG A 194 -11.326 -2.377 -4.259 1.00 0.00 N ATOM 812 CZ ARG A 194 -11.631 -1.127 -4.474 1.00 0.00 C ATOM 813 NH1 ARG A 194 -10.695 -0.268 -4.773 1.00 0.00 N ATOM 814 NH2 ARG A 194 -12.872 -0.734 -4.389 1.00 0.00 N ATOM 0 H ARG A 194 -10.277 -2.538 1.541 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.811 -2.662 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -9.958 -3.613 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.270 -4.377 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.014 -1.941 -1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.422 -1.450 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.426 -2.263 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.223 -3.814 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.725 -3.108 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -9.724 -0.574 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -10.934 0.709 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.604 -1.404 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -13.110 0.243 -4.557 1.00 0.00 H new ATOM 828 N GLY A 195 -12.707 -4.378 2.267 1.00 0.00 N ATOM 829 CA GLY A 195 -13.109 -5.599 3.038 1.00 0.00 C ATOM 830 C GLY A 195 -13.722 -6.643 2.104 1.00 0.00 C ATOM 831 O GLY A 195 -13.145 -7.685 1.863 1.00 0.00 O ATOM 0 H GLY A 195 -12.771 -3.504 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.240 -6.020 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.827 -5.328 3.812 1.00 0.00 H new ATOM 835 N SER A 196 -14.880 -6.374 1.570 1.00 0.00 N ATOM 836 CA SER A 196 -15.515 -7.356 0.647 1.00 0.00 C ATOM 837 C SER A 196 -14.607 -7.562 -0.568 1.00 0.00 C ATOM 838 O SER A 196 -14.722 -6.876 -1.564 1.00 0.00 O ATOM 839 CB SER A 196 -16.872 -6.823 0.189 1.00 0.00 C ATOM 840 OG SER A 196 -17.801 -6.924 1.261 1.00 0.00 O ATOM 0 H SER A 196 -15.413 -5.520 1.732 1.00 0.00 H new ATOM 0 HA SER A 196 -15.658 -8.306 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.779 -5.785 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 196 -17.228 -7.391 -0.671 1.00 0.00 H new ATOM 0 HG SER A 196 -18.673 -6.581 0.972 1.00 0.00 H new ATOM 846 N ARG A 197 -13.699 -8.497 -0.491 1.00 0.00 N ATOM 847 CA ARG A 197 -12.779 -8.741 -1.639 1.00 0.00 C ATOM 848 C ARG A 197 -11.929 -7.491 -1.879 1.00 0.00 C ATOM 849 O ARG A 197 -12.421 -6.381 -1.853 1.00 0.00 O ATOM 850 CB ARG A 197 -13.596 -9.051 -2.895 1.00 0.00 C ATOM 851 CG ARG A 197 -12.689 -9.696 -3.945 1.00 0.00 C ATOM 852 CD ARG A 197 -12.673 -11.212 -3.744 1.00 0.00 C ATOM 853 NE ARG A 197 -11.317 -11.742 -4.064 1.00 0.00 N ATOM 854 CZ ARG A 197 -10.570 -12.237 -3.115 1.00 0.00 C ATOM 855 NH1 ARG A 197 -11.034 -13.184 -2.347 1.00 0.00 N ATOM 856 NH2 ARG A 197 -9.358 -11.787 -2.936 1.00 0.00 N ATOM 0 H ARG A 197 -13.554 -9.102 0.317 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.131 -9.588 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.420 -9.721 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -14.036 -8.136 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.046 -9.455 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.678 -9.297 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.937 -11.456 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.419 -11.682 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 197 -10.973 -11.718 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -11.980 -13.537 -2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -10.450 -13.571 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -8.994 -11.048 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -8.775 -12.174 -2.194 1.00 0.00 H new ATOM 870 N ALA A 198 -10.656 -7.661 -2.112 1.00 0.00 N ATOM 871 CA ALA A 198 -9.780 -6.480 -2.350 1.00 0.00 C ATOM 872 C ALA A 198 -8.570 -6.898 -3.187 1.00 0.00 C ATOM 873 O ALA A 198 -8.168 -8.044 -3.188 1.00 0.00 O ATOM 874 CB ALA A 198 -9.300 -5.922 -1.008 1.00 0.00 C ATOM 0 H ALA A 198 -10.186 -8.565 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.344 -5.715 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.659 -5.058 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.160 -5.621 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.738 -6.689 -0.475 1.00 0.00 H new ATOM 880 N LEU A 199 -7.985 -5.974 -3.899 1.00 0.00 N ATOM 881 CA LEU A 199 -6.800 -6.314 -4.735 1.00 0.00 C ATOM 882 C LEU A 199 -5.525 -5.894 -4.001 1.00 0.00 C ATOM 883 O LEU A 199 -5.362 -4.750 -3.625 1.00 0.00 O ATOM 884 CB LEU A 199 -6.889 -5.576 -6.070 1.00 0.00 C ATOM 885 CG LEU A 199 -5.994 -6.271 -7.096 1.00 0.00 C ATOM 886 CD1 LEU A 199 -4.528 -6.114 -6.686 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.347 -7.759 -7.164 1.00 0.00 C ATOM 0 H LEU A 199 -8.277 -4.997 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.778 -7.388 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.921 -5.561 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.580 -4.538 -5.946 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.149 -5.817 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -3.890 -6.610 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -4.274 -5.055 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -4.374 -6.565 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -5.707 -8.252 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.195 -8.214 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -7.390 -7.872 -7.459 1.00 0.00 H new ATOM 899 N LEU A 200 -4.622 -6.812 -3.788 1.00 0.00 N ATOM 900 CA LEU A 200 -3.361 -6.466 -3.073 1.00 0.00 C ATOM 901 C LEU A 200 -2.165 -7.019 -3.847 1.00 0.00 C ATOM 902 O LEU A 200 -2.317 -7.723 -4.826 1.00 0.00 O ATOM 903 CB LEU A 200 -3.361 -7.081 -1.666 1.00 0.00 C ATOM 904 CG LEU A 200 -4.642 -7.884 -1.424 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.422 -8.862 -0.268 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.778 -6.924 -1.070 1.00 0.00 C ATOM 0 H LEU A 200 -4.703 -7.786 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.292 -5.381 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.492 -7.729 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.275 -6.292 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.900 -8.441 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.334 -9.433 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.609 -9.543 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.166 -8.307 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.693 -7.491 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.518 -6.370 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.934 -6.226 -1.893 1.00 0.00 H new ATOM 918 N ASN A 201 -0.975 -6.726 -3.399 1.00 0.00 N ATOM 919 CA ASN A 201 0.230 -7.259 -4.097 1.00 0.00 C ATOM 920 C ASN A 201 0.331 -8.748 -3.783 1.00 0.00 C ATOM 921 O ASN A 201 0.743 -9.547 -4.600 1.00 0.00 O ATOM 922 CB ASN A 201 1.496 -6.552 -3.598 1.00 0.00 C ATOM 923 CG ASN A 201 1.147 -5.172 -3.039 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.413 -4.910 -1.792 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.627 -4.329 -3.744 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.785 -6.143 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 201 0.140 -7.090 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.977 -7.154 -2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.211 -6.451 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.420 -4.538 -4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.398 -3.413 -3.359 1.00 0.00 H new ATOM 932 N PHE A 202 -0.062 -9.122 -2.596 1.00 0.00 N ATOM 933 CA PHE A 202 -0.016 -10.553 -2.199 1.00 0.00 C ATOM 934 C PHE A 202 -1.440 -11.004 -1.859 1.00 0.00 C ATOM 935 O PHE A 202 -1.828 -11.007 -0.708 1.00 0.00 O ATOM 936 CB PHE A 202 0.884 -10.713 -0.971 1.00 0.00 C ATOM 937 CG PHE A 202 2.154 -9.923 -1.169 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.728 -9.827 -2.442 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.763 -9.292 -0.077 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.911 -9.101 -2.623 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.946 -8.564 -0.260 1.00 0.00 C ATOM 942 CZ PHE A 202 4.520 -8.469 -1.531 1.00 0.00 C ATOM 0 H PHE A 202 -0.416 -8.489 -1.879 1.00 0.00 H new ATOM 0 HA PHE A 202 0.384 -11.159 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.363 -10.366 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.119 -11.766 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.258 -10.313 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.321 -9.367 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.355 -9.028 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.415 -8.076 0.582 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.433 -7.909 -1.671 1.00 0.00 H new ATOM 952 N PRO A 203 -2.183 -11.348 -2.883 1.00 0.00 N ATOM 953 CA PRO A 203 -3.585 -11.789 -2.744 1.00 0.00 C ATOM 954 C PRO A 203 -3.660 -13.259 -2.311 1.00 0.00 C ATOM 955 O PRO A 203 -4.376 -14.048 -2.893 1.00 0.00 O ATOM 956 CB PRO A 203 -4.152 -11.617 -4.157 1.00 0.00 C ATOM 957 CG PRO A 203 -2.942 -11.646 -5.122 1.00 0.00 C ATOM 958 CD PRO A 203 -1.695 -11.326 -4.277 1.00 0.00 C ATOM 0 HA PRO A 203 -4.132 -11.225 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.855 -12.416 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.696 -10.677 -4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.848 -12.623 -5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.066 -10.915 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.908 -12.063 -4.435 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.277 -10.353 -4.537 1.00 0.00 H new