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=-0.032) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00624) USER MOD Single : A 167 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 161:sc= -0.628 (180deg=-1.26) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.63 F(o=-9.9!,f=-3.6) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.249 -3.325 -6.899 1.00 0.00 N ATOM 41 CA TYR A 146 3.952 -3.495 -6.183 1.00 0.00 C ATOM 42 C TYR A 146 3.070 -2.269 -6.429 1.00 0.00 C ATOM 43 O TYR A 146 3.528 -1.145 -6.388 1.00 0.00 O ATOM 44 CB TYR A 146 4.214 -3.640 -4.681 1.00 0.00 C ATOM 45 CG TYR A 146 5.045 -4.871 -4.419 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.885 -6.007 -5.222 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.967 -4.880 -3.365 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.649 -7.153 -4.970 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.731 -6.026 -3.115 1.00 0.00 C ATOM 50 CZ TYR A 146 6.572 -7.163 -3.916 1.00 0.00 C ATOM 51 OH TYR A 146 7.324 -8.295 -3.669 1.00 0.00 O ATOM 0 HA TYR A 146 3.447 -4.387 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.730 -2.756 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.268 -3.708 -4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.173 -5.999 -6.034 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.088 -4.004 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.527 -8.030 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.444 -6.033 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 146 7.915 -8.134 -2.904 1.00 0.00 H new ATOM 61 N ARG A 147 1.805 -2.474 -6.686 1.00 0.00 N ATOM 62 CA ARG A 147 0.897 -1.318 -6.935 1.00 0.00 C ATOM 63 C ARG A 147 0.654 -0.564 -5.627 1.00 0.00 C ATOM 64 O ARG A 147 -0.250 -0.877 -4.878 1.00 0.00 O ATOM 65 CB ARG A 147 -0.440 -1.820 -7.483 1.00 0.00 C ATOM 66 CG ARG A 147 -0.196 -2.664 -8.735 1.00 0.00 C ATOM 67 CD ARG A 147 -0.483 -4.131 -8.419 1.00 0.00 C ATOM 68 NE ARG A 147 -1.635 -4.600 -9.243 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.722 -5.030 -8.662 1.00 0.00 C ATOM 70 NH1 ARG A 147 -3.155 -4.454 -7.574 1.00 0.00 N ATOM 71 NH2 ARG A 147 -3.378 -6.037 -9.171 1.00 0.00 N ATOM 0 H ARG A 147 1.362 -3.392 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 147 1.361 -0.650 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.955 -2.413 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.087 -0.976 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.837 -2.323 -9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.834 -2.547 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.398 -4.738 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.708 -4.249 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.573 -4.585 -10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.644 -3.666 -7.176 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.005 -4.792 -7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.041 -6.487 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.227 -6.374 -8.718 1.00 0.00 H new ATOM 85 N GLY A 148 1.449 0.432 -5.350 1.00 0.00 N ATOM 86 CA GLY A 148 1.259 1.212 -4.093 1.00 0.00 C ATOM 87 C GLY A 148 2.595 1.357 -3.362 1.00 0.00 C ATOM 88 O GLY A 148 2.844 2.341 -2.695 1.00 0.00 O ATOM 0 H GLY A 148 2.222 0.740 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.852 2.197 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.535 0.711 -3.450 1.00 0.00 H new ATOM 92 N VAL A 149 3.456 0.383 -3.475 1.00 0.00 N ATOM 93 CA VAL A 149 4.770 0.470 -2.778 1.00 0.00 C ATOM 94 C VAL A 149 5.708 1.397 -3.554 1.00 0.00 C ATOM 95 O VAL A 149 5.833 1.305 -4.761 1.00 0.00 O ATOM 96 CB VAL A 149 5.392 -0.924 -2.687 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.662 -0.863 -1.839 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.394 -1.883 -2.036 1.00 0.00 C ATOM 0 H VAL A 149 3.307 -0.467 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 149 4.619 0.869 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 149 5.640 -1.277 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.105 -1.857 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.374 -0.178 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.414 -0.511 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.835 -2.878 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.148 -1.528 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.487 -1.928 -2.638 1.00 0.00 H new ATOM 108 N ARG A 150 6.369 2.289 -2.869 1.00 0.00 N ATOM 109 CA ARG A 150 7.302 3.223 -3.561 1.00 0.00 C ATOM 110 C ARG A 150 8.708 3.058 -2.979 1.00 0.00 C ATOM 111 O ARG A 150 8.984 3.472 -1.871 1.00 0.00 O ATOM 112 CB ARG A 150 6.829 4.662 -3.350 1.00 0.00 C ATOM 113 CG ARG A 150 6.277 5.217 -4.665 1.00 0.00 C ATOM 114 CD ARG A 150 7.007 6.514 -5.017 1.00 0.00 C ATOM 115 NE ARG A 150 6.336 7.163 -6.177 1.00 0.00 N ATOM 116 CZ ARG A 150 5.044 7.355 -6.163 1.00 0.00 C ATOM 117 NH1 ARG A 150 4.407 7.422 -5.026 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.389 7.478 -7.285 1.00 0.00 N ATOM 0 H ARG A 150 6.303 2.412 -1.859 1.00 0.00 H new ATOM 0 HA ARG A 150 7.320 2.999 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.060 4.694 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.656 5.280 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.406 4.486 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.207 5.403 -4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.007 7.188 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 150 8.049 6.303 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 150 6.886 7.458 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 150 4.918 7.324 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 150 3.398 7.572 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.886 7.424 -8.174 1.00 0.00 H new ATOM 0 HH22 ARG A 150 3.380 7.628 -7.273 1.00 0.00 H new ATOM 132 N GLN A 151 9.597 2.451 -3.717 1.00 0.00 N ATOM 133 CA GLN A 151 10.984 2.255 -3.206 1.00 0.00 C ATOM 134 C GLN A 151 11.749 3.580 -3.265 1.00 0.00 C ATOM 135 O GLN A 151 11.340 4.516 -3.923 1.00 0.00 O ATOM 136 CB GLN A 151 11.699 1.215 -4.070 1.00 0.00 C ATOM 137 CG GLN A 151 11.800 1.729 -5.507 1.00 0.00 C ATOM 138 CD GLN A 151 13.144 1.315 -6.106 1.00 0.00 C ATOM 139 OE1 GLN A 151 14.184 1.748 -5.651 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.169 0.487 -7.114 1.00 0.00 N ATOM 0 H GLN A 151 9.423 2.082 -4.652 1.00 0.00 H new ATOM 0 HA GLN A 151 10.944 1.909 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.694 1.018 -3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.154 0.271 -4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.984 1.326 -6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.702 2.814 -5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.296 0.123 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.061 0.204 -7.519 1.00 0.00 H new ATOM 149 N ARG A 152 12.859 3.668 -2.582 1.00 0.00 N ATOM 150 CA ARG A 152 13.649 4.933 -2.600 1.00 0.00 C ATOM 151 C ARG A 152 15.105 4.627 -2.968 1.00 0.00 C ATOM 152 O ARG A 152 15.495 3.480 -3.054 1.00 0.00 O ATOM 153 CB ARG A 152 13.600 5.586 -1.217 1.00 0.00 C ATOM 154 CG ARG A 152 12.774 6.873 -1.287 1.00 0.00 C ATOM 155 CD ARG A 152 13.075 7.741 -0.064 1.00 0.00 C ATOM 156 NE ARG A 152 12.016 8.779 0.082 1.00 0.00 N ATOM 157 CZ ARG A 152 12.161 9.944 -0.489 1.00 0.00 C ATOM 158 NH1 ARG A 152 13.215 10.669 -0.235 1.00 0.00 N ATOM 159 NH2 ARG A 152 11.250 10.383 -1.315 1.00 0.00 N ATOM 0 H ARG A 152 13.253 2.919 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 152 13.224 5.612 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.161 4.899 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.610 5.808 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.009 7.419 -2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.711 6.634 -1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 152 13.119 7.122 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 152 14.051 8.215 -0.172 1.00 0.00 H new ATOM 0 HE ARG A 152 11.178 8.579 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 152 13.927 10.326 0.410 1.00 0.00 H new ATOM 0 HH12 ARG A 152 13.328 11.579 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.426 9.816 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 152 11.362 11.293 -1.762 1.00 0.00 H new ATOM 173 N PRO A 153 15.866 5.674 -3.175 1.00 0.00 N ATOM 174 CA PRO A 153 17.291 5.567 -3.538 1.00 0.00 C ATOM 175 C PRO A 153 18.142 5.247 -2.304 1.00 0.00 C ATOM 176 O PRO A 153 19.171 4.608 -2.396 1.00 0.00 O ATOM 177 CB PRO A 153 17.626 6.959 -4.084 1.00 0.00 C ATOM 178 CG PRO A 153 16.576 7.925 -3.489 1.00 0.00 C ATOM 179 CD PRO A 153 15.372 7.063 -3.067 1.00 0.00 C ATOM 0 HA PRO A 153 17.490 4.770 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.634 7.257 -3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.589 6.968 -5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.986 8.463 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.278 8.673 -4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.053 7.294 -2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.514 7.232 -3.717 1.00 0.00 H new ATOM 187 N TRP A 154 17.723 5.689 -1.149 1.00 0.00 N ATOM 188 CA TRP A 154 18.511 5.413 0.086 1.00 0.00 C ATOM 189 C TRP A 154 18.307 3.959 0.512 1.00 0.00 C ATOM 190 O TRP A 154 19.209 3.317 1.014 1.00 0.00 O ATOM 191 CB TRP A 154 18.045 6.344 1.207 1.00 0.00 C ATOM 192 CG TRP A 154 19.154 7.276 1.568 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.081 7.049 2.529 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.471 8.576 0.993 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.947 8.126 2.578 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.612 9.093 1.650 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.885 9.348 -0.028 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.153 10.335 1.307 1.00 0.00 C ATOM 199 CZ3 TRP A 154 19.424 10.598 -0.377 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.556 11.090 0.290 1.00 0.00 C ATOM 0 H TRP A 154 16.869 6.229 -1.008 1.00 0.00 H new ATOM 0 HA TRP A 154 19.569 5.585 -0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.170 6.909 0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.746 5.761 2.078 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.135 6.170 3.155 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.736 8.198 3.220 1.00 0.00 H new ATOM 0 HE3 TRP A 154 18.014 8.977 -0.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.025 10.710 1.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 18.965 11.182 -1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.967 12.051 0.019 1.00 0.00 H new ATOM 211 N GLY A 155 17.130 3.435 0.319 1.00 0.00 N ATOM 212 CA GLY A 155 16.869 2.022 0.715 1.00 0.00 C ATOM 213 C GLY A 155 15.585 1.951 1.543 1.00 0.00 C ATOM 214 O GLY A 155 15.466 1.158 2.456 1.00 0.00 O ATOM 0 H GLY A 155 16.336 3.923 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.777 1.396 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.708 1.634 1.293 1.00 0.00 H new ATOM 218 N LYS A 156 14.620 2.772 1.230 1.00 0.00 N ATOM 219 CA LYS A 156 13.343 2.750 1.995 1.00 0.00 C ATOM 220 C LYS A 156 12.173 2.607 1.020 1.00 0.00 C ATOM 221 O LYS A 156 12.293 2.898 -0.151 1.00 0.00 O ATOM 222 CB LYS A 156 13.192 4.055 2.779 1.00 0.00 C ATOM 223 CG LYS A 156 14.464 4.319 3.586 1.00 0.00 C ATOM 224 CD LYS A 156 14.093 4.614 5.040 1.00 0.00 C ATOM 225 CE LYS A 156 14.893 5.819 5.537 1.00 0.00 C ATOM 226 NZ LYS A 156 14.118 6.528 6.594 1.00 0.00 N ATOM 0 H LYS A 156 14.662 3.458 0.476 1.00 0.00 H new ATOM 0 HA LYS A 156 13.349 1.909 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.005 4.883 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.332 3.993 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.125 3.454 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.009 5.161 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.025 4.815 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 156 14.301 3.744 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 156 15.854 5.492 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.103 6.496 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 14.662 7.348 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 13.211 6.852 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.939 5.880 7.387 1.00 0.00 H new ATOM 240 N PHE A 157 11.043 2.165 1.494 1.00 0.00 N ATOM 241 CA PHE A 157 9.870 2.010 0.589 1.00 0.00 C ATOM 242 C PHE A 157 8.684 2.789 1.163 1.00 0.00 C ATOM 243 O PHE A 157 8.791 3.425 2.192 1.00 0.00 O ATOM 244 CB PHE A 157 9.508 0.528 0.468 1.00 0.00 C ATOM 245 CG PHE A 157 10.573 -0.183 -0.329 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.845 -0.375 0.222 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.290 -0.650 -1.619 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.836 -1.034 -0.516 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.281 -1.310 -2.358 1.00 0.00 C ATOM 250 CZ PHE A 157 12.555 -1.502 -1.807 1.00 0.00 C ATOM 0 H PHE A 157 10.880 1.905 2.467 1.00 0.00 H new ATOM 0 HA PHE A 157 10.115 2.399 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.420 0.081 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.539 0.417 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.062 -0.015 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.308 -0.501 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.817 -1.182 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.063 -1.671 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.319 -2.010 -2.376 1.00 0.00 H new ATOM 260 N ALA A 158 7.555 2.753 0.507 1.00 0.00 N ATOM 261 CA ALA A 158 6.377 3.503 1.026 1.00 0.00 C ATOM 262 C ALA A 158 5.083 2.801 0.613 1.00 0.00 C ATOM 263 O ALA A 158 4.688 2.828 -0.536 1.00 0.00 O ATOM 264 CB ALA A 158 6.386 4.920 0.453 1.00 0.00 C ATOM 0 H ALA A 158 7.399 2.240 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 158 6.431 3.542 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.525 5.471 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.302 5.428 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.337 4.873 -0.635 1.00 0.00 H new ATOM 270 N ALA A 159 4.411 2.187 1.545 1.00 0.00 N ATOM 271 CA ALA A 159 3.134 1.501 1.207 1.00 0.00 C ATOM 272 C ALA A 159 2.020 2.545 1.137 1.00 0.00 C ATOM 273 O ALA A 159 1.682 3.168 2.123 1.00 0.00 O ATOM 274 CB ALA A 159 2.804 0.472 2.289 1.00 0.00 C ATOM 0 H ALA A 159 4.690 2.130 2.524 1.00 0.00 H new ATOM 0 HA ALA A 159 3.228 0.992 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.869 -0.030 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.606 -0.264 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.702 0.975 3.250 1.00 0.00 H new ATOM 280 N GLU A 160 1.454 2.751 -0.020 1.00 0.00 N ATOM 281 CA GLU A 160 0.367 3.762 -0.145 1.00 0.00 C ATOM 282 C GLU A 160 -0.819 3.149 -0.888 1.00 0.00 C ATOM 283 O GLU A 160 -0.679 2.183 -1.612 1.00 0.00 O ATOM 284 CB GLU A 160 0.886 4.977 -0.919 1.00 0.00 C ATOM 285 CG GLU A 160 0.157 6.234 -0.445 1.00 0.00 C ATOM 286 CD GLU A 160 -0.701 6.789 -1.583 1.00 0.00 C ATOM 287 OE1 GLU A 160 -1.754 6.225 -1.835 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.292 7.769 -2.183 1.00 0.00 O ATOM 0 H GLU A 160 1.697 2.264 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 160 0.047 4.075 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.960 5.087 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.729 4.834 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.470 6.001 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.878 6.984 -0.120 1.00 0.00 H new ATOM 295 N ILE A 161 -1.988 3.698 -0.712 1.00 0.00 N ATOM 296 CA ILE A 161 -3.185 3.143 -1.403 1.00 0.00 C ATOM 297 C ILE A 161 -4.186 4.267 -1.675 1.00 0.00 C ATOM 298 O ILE A 161 -4.551 5.013 -0.789 1.00 0.00 O ATOM 299 CB ILE A 161 -3.836 2.089 -0.508 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.130 1.598 -1.159 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.153 2.706 0.856 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.928 0.781 -0.142 1.00 0.00 C ATOM 0 H ILE A 161 -2.167 4.508 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.885 2.690 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.154 1.249 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.721 2.446 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.902 0.989 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.617 1.956 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.231 3.058 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.837 3.545 0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.851 0.429 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.336 -0.074 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.167 1.405 0.719 1.00 0.00 H new ATOM 314 N ARG A 162 -4.637 4.394 -2.894 1.00 0.00 N ATOM 315 CA ARG A 162 -5.617 5.470 -3.214 1.00 0.00 C ATOM 316 C ARG A 162 -6.979 5.108 -2.621 1.00 0.00 C ATOM 317 O ARG A 162 -7.623 4.169 -3.047 1.00 0.00 O ATOM 318 CB ARG A 162 -5.744 5.618 -4.731 1.00 0.00 C ATOM 319 CG ARG A 162 -6.832 6.645 -5.050 1.00 0.00 C ATOM 320 CD ARG A 162 -6.823 6.957 -6.549 1.00 0.00 C ATOM 321 NE ARG A 162 -8.113 6.522 -7.152 1.00 0.00 N ATOM 322 CZ ARG A 162 -8.898 7.400 -7.715 1.00 0.00 C ATOM 323 NH1 ARG A 162 -9.278 8.457 -7.051 1.00 0.00 N ATOM 324 NH2 ARG A 162 -9.302 7.221 -8.943 1.00 0.00 N ATOM 0 H ARG A 162 -4.370 3.801 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.271 6.412 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.792 5.935 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.991 4.657 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.808 6.259 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.664 7.557 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -6.676 8.025 -6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.991 6.445 -7.033 1.00 0.00 H new ATOM 0 HE ARG A 162 -8.383 5.539 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -8.962 8.598 -6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -9.891 9.143 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.004 6.395 -9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -9.915 7.907 -9.383 1.00 0.00 H new ATOM 338 N ASP A 163 -7.423 5.842 -1.639 1.00 0.00 N ATOM 339 CA ASP A 163 -8.741 5.540 -1.016 1.00 0.00 C ATOM 340 C ASP A 163 -9.835 6.365 -1.704 1.00 0.00 C ATOM 341 O ASP A 163 -9.811 7.579 -1.650 1.00 0.00 O ATOM 342 CB ASP A 163 -8.692 5.905 0.469 1.00 0.00 C ATOM 343 CG ASP A 163 -9.907 5.310 1.182 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.697 4.658 0.520 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.025 5.515 2.379 1.00 0.00 O ATOM 0 H ASP A 163 -6.928 6.640 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 163 -8.962 4.479 -1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.773 5.527 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.682 6.988 0.588 1.00 0.00 H new ATOM 350 N PRO A 164 -10.767 5.689 -2.329 1.00 0.00 N ATOM 351 CA PRO A 164 -11.882 6.349 -3.029 1.00 0.00 C ATOM 352 C PRO A 164 -12.934 6.807 -2.017 1.00 0.00 C ATOM 353 O PRO A 164 -13.671 7.745 -2.251 1.00 0.00 O ATOM 354 CB PRO A 164 -12.436 5.251 -3.941 1.00 0.00 C ATOM 355 CG PRO A 164 -11.999 3.905 -3.318 1.00 0.00 C ATOM 356 CD PRO A 164 -10.801 4.214 -2.399 1.00 0.00 C ATOM 0 HA PRO A 164 -11.582 7.238 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.522 5.313 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.047 5.355 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.816 3.456 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.719 3.192 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.932 3.772 -1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.873 3.813 -2.807 1.00 0.00 H new ATOM 364 N ALA A 165 -13.006 6.152 -0.891 1.00 0.00 N ATOM 365 CA ALA A 165 -14.003 6.541 0.141 1.00 0.00 C ATOM 366 C ALA A 165 -13.607 7.890 0.748 1.00 0.00 C ATOM 367 O ALA A 165 -14.391 8.536 1.415 1.00 0.00 O ATOM 368 CB ALA A 165 -14.041 5.478 1.240 1.00 0.00 C ATOM 0 H ALA A 165 -12.413 5.360 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 165 -14.988 6.624 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -14.772 5.763 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.322 4.518 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.056 5.395 1.700 1.00 0.00 H new ATOM 374 N LYS A 166 -12.395 8.318 0.522 1.00 0.00 N ATOM 375 CA LYS A 166 -11.946 9.623 1.083 1.00 0.00 C ATOM 376 C LYS A 166 -11.990 10.689 -0.013 1.00 0.00 C ATOM 377 O LYS A 166 -11.220 11.630 -0.009 1.00 0.00 O ATOM 378 CB LYS A 166 -10.514 9.487 1.605 1.00 0.00 C ATOM 379 CG LYS A 166 -10.502 8.567 2.829 1.00 0.00 C ATOM 380 CD LYS A 166 -10.699 9.400 4.098 1.00 0.00 C ATOM 381 CE LYS A 166 -9.541 9.146 5.065 1.00 0.00 C ATOM 382 NZ LYS A 166 -8.306 9.793 4.541 1.00 0.00 N ATOM 0 H LYS A 166 -11.696 7.819 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.605 9.914 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -9.869 9.082 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.117 10.467 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.293 7.822 2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -9.558 8.025 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.749 10.459 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.645 9.140 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -9.782 9.543 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -9.381 8.074 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.545 9.708 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.016 9.325 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.494 10.799 4.353 1.00 0.00 H new ATOM 396 N ASN A 167 -12.886 10.552 -0.952 1.00 0.00 N ATOM 397 CA ASN A 167 -12.977 11.558 -2.046 1.00 0.00 C ATOM 398 C ASN A 167 -11.723 11.474 -2.918 1.00 0.00 C ATOM 399 O ASN A 167 -11.305 12.445 -3.517 1.00 0.00 O ATOM 400 CB ASN A 167 -13.083 12.959 -1.440 1.00 0.00 C ATOM 401 CG ASN A 167 -13.548 13.946 -2.514 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.786 13.566 -3.643 1.00 0.00 O ATOM 403 ND2 ASN A 167 -13.689 15.206 -2.206 1.00 0.00 N ATOM 0 H ASN A 167 -13.558 9.787 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.858 11.357 -2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.786 12.954 -0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.117 13.268 -1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -13.999 15.872 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.489 15.525 -1.258 1.00 0.00 H new ATOM 410 N GLY A 168 -11.119 10.320 -2.993 1.00 0.00 N ATOM 411 CA GLY A 168 -9.892 10.176 -3.825 1.00 0.00 C ATOM 412 C GLY A 168 -8.713 10.837 -3.110 1.00 0.00 C ATOM 413 O GLY A 168 -8.130 11.784 -3.599 1.00 0.00 O ATOM 0 H GLY A 168 -11.422 9.472 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.680 9.121 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.045 10.637 -4.801 1.00 0.00 H new ATOM 417 N ALA A 169 -8.357 10.345 -1.955 1.00 0.00 N ATOM 418 CA ALA A 169 -7.217 10.947 -1.208 1.00 0.00 C ATOM 419 C ALA A 169 -6.107 9.907 -1.047 1.00 0.00 C ATOM 420 O ALA A 169 -6.341 8.798 -0.611 1.00 0.00 O ATOM 421 CB ALA A 169 -7.697 11.401 0.173 1.00 0.00 C ATOM 0 H ALA A 169 -8.806 9.552 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.832 11.805 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -6.864 11.842 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.488 12.142 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.081 10.543 0.725 1.00 0.00 H new ATOM 427 N ARG A 170 -4.899 10.258 -1.395 1.00 0.00 N ATOM 428 CA ARG A 170 -3.774 9.289 -1.263 1.00 0.00 C ATOM 429 C ARG A 170 -3.558 8.955 0.215 1.00 0.00 C ATOM 430 O ARG A 170 -3.326 9.826 1.031 1.00 0.00 O ATOM 431 CB ARG A 170 -2.500 9.904 -1.845 1.00 0.00 C ATOM 432 CG ARG A 170 -2.560 9.844 -3.373 1.00 0.00 C ATOM 433 CD ARG A 170 -2.053 11.164 -3.959 1.00 0.00 C ATOM 434 NE ARG A 170 -1.073 10.881 -5.046 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.489 10.454 -6.206 1.00 0.00 C ATOM 436 NH1 ARG A 170 -2.387 11.133 -6.867 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.009 9.350 -6.707 1.00 0.00 N ATOM 0 H ARG A 170 -4.643 11.173 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.014 8.376 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.398 10.938 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -1.624 9.365 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -1.953 9.015 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.583 9.659 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.888 11.745 -4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.584 11.764 -3.179 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.076 11.021 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -2.763 11.997 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -2.713 10.800 -7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.307 8.819 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.335 9.017 -7.614 1.00 0.00 H new ATOM 451 N VAL A 171 -3.636 7.700 0.566 1.00 0.00 N ATOM 452 CA VAL A 171 -3.442 7.308 1.991 1.00 0.00 C ATOM 453 C VAL A 171 -2.033 6.741 2.183 1.00 0.00 C ATOM 454 O VAL A 171 -1.794 5.567 1.976 1.00 0.00 O ATOM 455 CB VAL A 171 -4.484 6.248 2.368 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.060 5.530 3.653 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.837 6.927 2.591 1.00 0.00 C ATOM 0 H VAL A 171 -3.826 6.928 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.563 8.182 2.631 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.563 5.520 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.806 4.779 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.096 5.046 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.976 6.254 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.581 6.177 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.750 7.656 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.145 7.433 1.676 1.00 0.00 H new ATOM 467 N TRP A 172 -1.101 7.560 2.588 1.00 0.00 N ATOM 468 CA TRP A 172 0.287 7.061 2.802 1.00 0.00 C ATOM 469 C TRP A 172 0.303 6.140 4.025 1.00 0.00 C ATOM 470 O TRP A 172 0.310 6.590 5.154 1.00 0.00 O ATOM 471 CB TRP A 172 1.228 8.245 3.039 1.00 0.00 C ATOM 472 CG TRP A 172 2.627 7.746 3.205 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.059 6.972 4.228 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.784 7.971 2.346 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.406 6.708 4.051 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.897 7.302 2.907 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.972 8.685 1.147 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.154 7.337 2.302 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.237 8.723 0.534 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.325 8.051 1.110 1.00 0.00 C ATOM 0 H TRP A 172 -1.241 8.552 2.780 1.00 0.00 H new ATOM 0 HA TRP A 172 0.620 6.511 1.922 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.175 8.938 2.200 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.920 8.796 3.927 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.452 6.618 5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.967 6.143 4.689 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.140 9.206 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.988 6.817 2.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.372 9.273 -0.386 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.294 8.084 0.634 1.00 0.00 H new ATOM 491 N LEU A 173 0.303 4.854 3.808 1.00 0.00 N ATOM 492 CA LEU A 173 0.312 3.903 4.957 1.00 0.00 C ATOM 493 C LEU A 173 1.562 4.135 5.807 1.00 0.00 C ATOM 494 O LEU A 173 1.488 4.254 7.014 1.00 0.00 O ATOM 495 CB LEU A 173 0.306 2.462 4.438 1.00 0.00 C ATOM 496 CG LEU A 173 -0.849 2.271 3.450 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.592 1.027 2.597 1.00 0.00 C ATOM 498 CD2 LEU A 173 -2.157 2.093 4.222 1.00 0.00 C ATOM 0 H LEU A 173 0.297 4.420 2.885 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.577 4.070 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.255 2.237 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.203 1.766 5.271 1.00 0.00 H new ATOM 0 HG LEU A 173 -0.921 3.147 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.414 0.892 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.340 1.150 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.519 0.152 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.979 1.957 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -2.083 1.217 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.343 2.977 4.831 1.00 0.00 H new ATOM 510 N GLY A 174 2.713 4.202 5.193 1.00 0.00 N ATOM 511 CA GLY A 174 3.962 4.429 5.979 1.00 0.00 C ATOM 512 C GLY A 174 5.160 3.841 5.231 1.00 0.00 C ATOM 513 O GLY A 174 5.029 2.901 4.471 1.00 0.00 O ATOM 0 H GLY A 174 2.843 4.110 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.111 5.496 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.873 3.967 6.962 1.00 0.00 H new ATOM 517 N THR A 175 6.330 4.382 5.441 1.00 0.00 N ATOM 518 CA THR A 175 7.532 3.846 4.743 1.00 0.00 C ATOM 519 C THR A 175 7.861 2.462 5.303 1.00 0.00 C ATOM 520 O THR A 175 7.383 2.080 6.354 1.00 0.00 O ATOM 521 CB THR A 175 8.720 4.786 4.958 1.00 0.00 C ATOM 522 OG1 THR A 175 9.354 4.473 6.190 1.00 0.00 O ATOM 523 CG2 THR A 175 8.231 6.235 4.985 1.00 0.00 C ATOM 0 H THR A 175 6.504 5.170 6.064 1.00 0.00 H new ATOM 0 HA THR A 175 7.330 3.771 3.675 1.00 0.00 H new ATOM 0 HB THR A 175 9.432 4.663 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.116 5.074 6.328 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.079 6.902 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.748 6.474 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.517 6.363 5.799 1.00 0.00 H new ATOM 531 N PHE A 176 8.664 1.703 4.612 1.00 0.00 N ATOM 532 CA PHE A 176 9.006 0.343 5.112 1.00 0.00 C ATOM 533 C PHE A 176 10.486 0.053 4.860 1.00 0.00 C ATOM 534 O PHE A 176 11.218 0.887 4.364 1.00 0.00 O ATOM 535 CB PHE A 176 8.149 -0.693 4.383 1.00 0.00 C ATOM 536 CG PHE A 176 6.752 -0.668 4.950 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.801 0.228 4.440 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.407 -1.538 5.990 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.505 0.253 4.973 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.111 -1.515 6.523 1.00 0.00 C ATOM 541 CZ PHE A 176 4.161 -0.619 6.015 1.00 0.00 C ATOM 0 H PHE A 176 9.097 1.964 3.726 1.00 0.00 H new ATOM 0 HA PHE A 176 8.811 0.292 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.125 -0.476 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.583 -1.686 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.067 0.899 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.140 -2.228 6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.772 0.943 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.845 -2.188 7.325 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.163 -0.600 6.427 1.00 0.00 H new ATOM 551 N GLU A 177 10.933 -1.123 5.205 1.00 0.00 N ATOM 552 CA GLU A 177 12.365 -1.470 4.991 1.00 0.00 C ATOM 553 C GLU A 177 12.554 -2.023 3.577 1.00 0.00 C ATOM 554 O GLU A 177 13.601 -1.875 2.979 1.00 0.00 O ATOM 555 CB GLU A 177 12.790 -2.527 6.013 1.00 0.00 C ATOM 556 CG GLU A 177 14.208 -2.223 6.502 1.00 0.00 C ATOM 557 CD GLU A 177 14.531 -3.100 7.714 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.920 -4.148 7.844 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.386 -2.708 8.492 1.00 0.00 O ATOM 0 H GLU A 177 10.367 -1.859 5.627 1.00 0.00 H new ATOM 0 HA GLU A 177 12.977 -0.576 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.097 -2.534 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.754 -3.519 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.927 -2.409 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.294 -1.170 6.769 1.00 0.00 H new ATOM 566 N THR A 178 11.549 -2.658 3.037 1.00 0.00 N ATOM 567 CA THR A 178 11.679 -3.220 1.661 1.00 0.00 C ATOM 568 C THR A 178 10.326 -3.148 0.947 1.00 0.00 C ATOM 569 O THR A 178 9.315 -2.834 1.543 1.00 0.00 O ATOM 570 CB THR A 178 12.136 -4.679 1.743 1.00 0.00 C ATOM 571 OG1 THR A 178 10.999 -5.526 1.819 1.00 0.00 O ATOM 572 CG2 THR A 178 13.008 -4.877 2.984 1.00 0.00 C ATOM 0 H THR A 178 10.647 -2.812 3.487 1.00 0.00 H new ATOM 0 HA THR A 178 12.415 -2.641 1.103 1.00 0.00 H new ATOM 0 HB THR A 178 12.716 -4.928 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.290 -6.460 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.331 -5.916 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.881 -4.228 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.433 -4.628 3.876 1.00 0.00 H new ATOM 580 N ALA A 179 10.301 -3.440 -0.326 1.00 0.00 N ATOM 581 CA ALA A 179 9.014 -3.390 -1.077 1.00 0.00 C ATOM 582 C ALA A 179 8.113 -4.535 -0.614 1.00 0.00 C ATOM 583 O ALA A 179 6.911 -4.486 -0.759 1.00 0.00 O ATOM 584 CB ALA A 179 9.293 -3.539 -2.573 1.00 0.00 C ATOM 0 H ALA A 179 11.115 -3.711 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 179 8.520 -2.437 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.353 -3.503 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.940 -2.727 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.785 -4.494 -2.758 1.00 0.00 H new ATOM 590 N GLU A 180 8.689 -5.567 -0.060 1.00 0.00 N ATOM 591 CA GLU A 180 7.866 -6.715 0.411 1.00 0.00 C ATOM 592 C GLU A 180 7.094 -6.308 1.666 1.00 0.00 C ATOM 593 O GLU A 180 5.940 -6.646 1.835 1.00 0.00 O ATOM 594 CB GLU A 180 8.780 -7.901 0.730 1.00 0.00 C ATOM 595 CG GLU A 180 7.933 -9.154 0.956 1.00 0.00 C ATOM 596 CD GLU A 180 8.622 -10.360 0.313 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.080 -10.227 -0.810 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.679 -11.396 0.955 1.00 0.00 O ATOM 0 H GLU A 180 9.694 -5.664 0.086 1.00 0.00 H new ATOM 0 HA GLU A 180 7.161 -7.002 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.479 -8.065 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.375 -7.687 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.797 -9.326 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 180 6.941 -9.017 0.526 1.00 0.00 H new ATOM 605 N ASP A 181 7.720 -5.581 2.548 1.00 0.00 N ATOM 606 CA ASP A 181 7.023 -5.150 3.788 1.00 0.00 C ATOM 607 C ASP A 181 5.981 -4.085 3.441 1.00 0.00 C ATOM 608 O ASP A 181 4.879 -4.090 3.951 1.00 0.00 O ATOM 609 CB ASP A 181 8.043 -4.564 4.766 1.00 0.00 C ATOM 610 CG ASP A 181 9.363 -5.327 4.652 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.314 -6.536 4.494 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.401 -4.691 4.728 1.00 0.00 O ATOM 0 H ASP A 181 8.687 -5.267 2.462 1.00 0.00 H new ATOM 0 HA ASP A 181 6.529 -6.007 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.203 -3.508 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.662 -4.627 5.785 1.00 0.00 H new ATOM 617 N ALA A 182 6.324 -3.168 2.578 1.00 0.00 N ATOM 618 CA ALA A 182 5.356 -2.099 2.197 1.00 0.00 C ATOM 619 C ALA A 182 4.216 -2.704 1.376 1.00 0.00 C ATOM 620 O ALA A 182 3.097 -2.233 1.409 1.00 0.00 O ATOM 621 CB ALA A 182 6.075 -1.038 1.361 1.00 0.00 C ATOM 0 H ALA A 182 7.233 -3.112 2.120 1.00 0.00 H new ATOM 0 HA ALA A 182 4.949 -1.642 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.370 -0.256 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.886 -0.603 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.482 -1.498 0.461 1.00 0.00 H new ATOM 627 N ALA A 183 4.489 -3.745 0.640 1.00 0.00 N ATOM 628 CA ALA A 183 3.419 -4.379 -0.180 1.00 0.00 C ATOM 629 C ALA A 183 2.483 -5.167 0.735 1.00 0.00 C ATOM 630 O ALA A 183 1.279 -5.149 0.571 1.00 0.00 O ATOM 631 CB ALA A 183 4.045 -5.326 -1.206 1.00 0.00 C ATOM 0 H ALA A 183 5.407 -4.184 0.571 1.00 0.00 H new ATOM 0 HA ALA A 183 2.857 -3.605 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.258 -5.787 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.714 -4.765 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.609 -6.102 -0.688 1.00 0.00 H new ATOM 637 N LEU A 184 3.029 -5.853 1.703 1.00 0.00 N ATOM 638 CA LEU A 184 2.171 -6.635 2.635 1.00 0.00 C ATOM 639 C LEU A 184 1.316 -5.667 3.449 1.00 0.00 C ATOM 640 O LEU A 184 0.155 -5.912 3.708 1.00 0.00 O ATOM 641 CB LEU A 184 3.055 -7.461 3.575 1.00 0.00 C ATOM 642 CG LEU A 184 2.340 -8.764 3.938 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.195 -9.954 3.500 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.128 -8.824 5.452 1.00 0.00 C ATOM 0 H LEU A 184 4.031 -5.905 1.887 1.00 0.00 H new ATOM 0 HA LEU A 184 1.527 -7.308 2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.009 -7.679 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.275 -6.891 4.478 1.00 0.00 H new ATOM 0 HG LEU A 184 1.375 -8.801 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.686 -10.883 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 184 3.350 -9.913 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 184 4.159 -9.916 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.619 -9.752 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.094 -8.787 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.521 -7.976 5.768 1.00 0.00 H new ATOM 656 N ALA A 185 1.882 -4.559 3.840 1.00 0.00 N ATOM 657 CA ALA A 185 1.104 -3.562 4.623 1.00 0.00 C ATOM 658 C ALA A 185 0.051 -2.934 3.709 1.00 0.00 C ATOM 659 O ALA A 185 -0.970 -2.448 4.157 1.00 0.00 O ATOM 660 CB ALA A 185 2.045 -2.476 5.147 1.00 0.00 C ATOM 0 H ALA A 185 2.851 -4.302 3.650 1.00 0.00 H new ATOM 0 HA ALA A 185 0.618 -4.049 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.474 -1.746 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.802 -2.929 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.530 -1.979 4.307 1.00 0.00 H new ATOM 666 N TYR A 186 0.290 -2.954 2.425 1.00 0.00 N ATOM 667 CA TYR A 186 -0.694 -2.376 1.467 1.00 0.00 C ATOM 668 C TYR A 186 -1.887 -3.324 1.360 1.00 0.00 C ATOM 669 O TYR A 186 -3.002 -2.914 1.106 1.00 0.00 O ATOM 670 CB TYR A 186 -0.033 -2.221 0.095 1.00 0.00 C ATOM 671 CG TYR A 186 -1.085 -1.960 -0.954 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.857 -3.018 -1.451 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.287 -0.661 -1.434 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.830 -2.776 -2.429 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.261 -0.418 -2.411 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.033 -1.476 -2.908 1.00 0.00 C ATOM 677 OH TYR A 186 -3.992 -1.237 -3.872 1.00 0.00 O ATOM 0 H TYR A 186 1.128 -3.348 1.998 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.029 -1.399 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.683 -1.399 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.525 -3.124 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.702 -4.020 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.692 0.155 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.424 -3.592 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.417 0.585 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 186 -4.004 -0.282 -4.092 1.00 0.00 H new ATOM 687 N ASP A 187 -1.656 -4.593 1.559 1.00 0.00 N ATOM 688 CA ASP A 187 -2.761 -5.582 1.481 1.00 0.00 C ATOM 689 C ASP A 187 -3.690 -5.394 2.680 1.00 0.00 C ATOM 690 O ASP A 187 -4.894 -5.321 2.546 1.00 0.00 O ATOM 691 CB ASP A 187 -2.168 -6.988 1.519 1.00 0.00 C ATOM 692 CG ASP A 187 -1.112 -7.133 0.419 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.298 -6.552 -0.638 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.135 -7.825 0.653 1.00 0.00 O ATOM 0 H ASP A 187 -0.740 -4.987 1.774 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.323 -5.440 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.720 -7.178 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.955 -7.729 1.381 1.00 0.00 H new ATOM 699 N ARG A 188 -3.129 -5.324 3.853 1.00 0.00 N ATOM 700 CA ARG A 188 -3.960 -5.148 5.078 1.00 0.00 C ATOM 701 C ARG A 188 -4.737 -3.832 4.995 1.00 0.00 C ATOM 702 O ARG A 188 -5.878 -3.748 5.405 1.00 0.00 O ATOM 703 CB ARG A 188 -3.057 -5.119 6.316 1.00 0.00 C ATOM 704 CG ARG A 188 -2.009 -6.230 6.224 1.00 0.00 C ATOM 705 CD ARG A 188 -1.278 -6.349 7.563 1.00 0.00 C ATOM 706 NE ARG A 188 0.161 -6.011 7.375 1.00 0.00 N ATOM 707 CZ ARG A 188 0.798 -5.325 8.285 1.00 0.00 C ATOM 708 NH1 ARG A 188 0.442 -4.096 8.545 1.00 0.00 N ATOM 709 NH2 ARG A 188 1.791 -5.867 8.935 1.00 0.00 N ATOM 0 H ARG A 188 -2.124 -5.381 4.018 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.659 -5.981 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.565 -4.149 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.657 -5.247 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -2.487 -7.177 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.298 -6.010 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.727 -5.679 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -1.377 -7.361 7.955 1.00 0.00 H new ATOM 0 HE ARG A 188 0.650 -6.316 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.334 -3.672 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 188 0.940 -3.560 9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 188 2.070 -6.827 8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 188 2.288 -5.331 9.646 1.00 0.00 H new ATOM 723 N ALA A 189 -4.129 -2.802 4.475 1.00 0.00 N ATOM 724 CA ALA A 189 -4.834 -1.492 4.375 1.00 0.00 C ATOM 725 C ALA A 189 -5.758 -1.497 3.156 1.00 0.00 C ATOM 726 O ALA A 189 -6.704 -0.737 3.078 1.00 0.00 O ATOM 727 CB ALA A 189 -3.806 -0.368 4.230 1.00 0.00 C ATOM 0 H ALA A 189 -3.175 -2.810 4.115 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.425 -1.331 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.322 0.590 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.149 -0.361 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.214 -0.531 3.330 1.00 0.00 H new ATOM 733 N ALA A 190 -5.494 -2.348 2.205 1.00 0.00 N ATOM 734 CA ALA A 190 -6.360 -2.404 0.992 1.00 0.00 C ATOM 735 C ALA A 190 -7.506 -3.384 1.240 1.00 0.00 C ATOM 736 O ALA A 190 -8.481 -3.412 0.515 1.00 0.00 O ATOM 737 CB ALA A 190 -5.530 -2.877 -0.205 1.00 0.00 C ATOM 0 H ALA A 190 -4.716 -3.008 2.214 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.764 -1.414 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.162 -2.918 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.709 -2.181 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.128 -3.869 0.000 1.00 0.00 H new ATOM 743 N PHE A 191 -7.397 -4.187 2.263 1.00 0.00 N ATOM 744 CA PHE A 191 -8.479 -5.164 2.565 1.00 0.00 C ATOM 745 C PHE A 191 -9.386 -4.586 3.651 1.00 0.00 C ATOM 746 O PHE A 191 -10.555 -4.906 3.732 1.00 0.00 O ATOM 747 CB PHE A 191 -7.861 -6.473 3.059 1.00 0.00 C ATOM 748 CG PHE A 191 -8.721 -7.633 2.626 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.924 -7.896 3.292 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.318 -8.446 1.559 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.726 -8.973 2.892 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.118 -9.524 1.158 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.323 -9.787 1.825 1.00 0.00 C ATOM 0 H PHE A 191 -6.603 -4.208 2.903 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.062 -5.358 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.853 -6.585 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.773 -6.458 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.234 -7.268 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.390 -8.242 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.654 -9.176 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.807 -10.152 0.336 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.941 -10.617 1.516 1.00 0.00 H new ATOM 763 N ARG A 192 -8.858 -3.730 4.481 1.00 0.00 N ATOM 764 CA ARG A 192 -9.692 -3.122 5.553 1.00 0.00 C ATOM 765 C ARG A 192 -10.466 -1.947 4.962 1.00 0.00 C ATOM 766 O ARG A 192 -11.627 -1.737 5.255 1.00 0.00 O ATOM 767 CB ARG A 192 -8.790 -2.619 6.682 1.00 0.00 C ATOM 768 CG ARG A 192 -9.649 -2.216 7.883 1.00 0.00 C ATOM 769 CD ARG A 192 -8.781 -1.492 8.912 1.00 0.00 C ATOM 770 NE ARG A 192 -7.784 -2.445 9.476 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.051 -3.094 10.577 1.00 0.00 C ATOM 772 NH1 ARG A 192 -7.871 -2.518 11.734 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.498 -4.319 10.519 1.00 0.00 N ATOM 0 H ARG A 192 -7.885 -3.426 4.463 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.384 -3.865 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.084 -3.397 6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.202 -1.767 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.464 -1.569 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.103 -3.100 8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.271 -0.649 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.404 -1.086 9.709 1.00 0.00 H new ATOM 0 HE ARG A 192 -6.893 -2.590 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -7.522 -1.561 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -8.080 -3.025 12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.638 -4.768 9.614 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -8.707 -4.827 11.379 1.00 0.00 H new ATOM 787 N MET A 193 -9.824 -1.185 4.124 1.00 0.00 N ATOM 788 CA MET A 193 -10.503 -0.021 3.493 1.00 0.00 C ATOM 789 C MET A 193 -11.534 -0.523 2.481 1.00 0.00 C ATOM 790 O MET A 193 -12.549 0.102 2.252 1.00 0.00 O ATOM 791 CB MET A 193 -9.462 0.840 2.775 1.00 0.00 C ATOM 792 CG MET A 193 -9.905 2.303 2.792 1.00 0.00 C ATOM 793 SD MET A 193 -8.916 3.220 3.997 1.00 0.00 S ATOM 794 CE MET A 193 -7.374 3.251 3.050 1.00 0.00 C ATOM 0 H MET A 193 -8.852 -1.319 3.847 1.00 0.00 H new ATOM 0 HA MET A 193 -11.004 0.572 4.258 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.492 0.738 3.262 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.340 0.499 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.787 2.741 1.801 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.963 2.371 3.047 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.727 4.040 3.434 1.00 0.00 H new ATOM 0 HE2 MET A 193 -6.870 2.289 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.596 3.443 2.000 1.00 0.00 H new ATOM 804 N ARG A 194 -11.282 -1.652 1.878 1.00 0.00 N ATOM 805 CA ARG A 194 -12.246 -2.200 0.885 1.00 0.00 C ATOM 806 C ARG A 194 -13.072 -3.306 1.542 1.00 0.00 C ATOM 807 O ARG A 194 -14.075 -3.743 1.014 1.00 0.00 O ATOM 808 CB ARG A 194 -11.480 -2.773 -0.308 1.00 0.00 C ATOM 809 CG ARG A 194 -11.575 -1.806 -1.490 1.00 0.00 C ATOM 810 CD ARG A 194 -10.620 -2.256 -2.595 1.00 0.00 C ATOM 811 NE ARG A 194 -10.209 -1.076 -3.407 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.227 -1.144 -4.710 1.00 0.00 C ATOM 813 NH1 ARG A 194 -9.283 -1.785 -5.342 1.00 0.00 N ATOM 814 NH2 ARG A 194 -11.190 -0.573 -5.380 1.00 0.00 N ATOM 0 H ARG A 194 -10.448 -2.219 2.031 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.908 -1.406 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.436 -2.934 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.891 -3.744 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.597 -1.776 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.325 -0.795 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.743 -2.735 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.105 -2.997 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.914 -0.216 -2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.531 -2.233 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -9.297 -1.839 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.929 -0.073 -4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -11.204 -0.626 -6.399 1.00 0.00 H new ATOM 828 N GLY A 195 -12.658 -3.758 2.695 1.00 0.00 N ATOM 829 CA GLY A 195 -13.416 -4.833 3.396 1.00 0.00 C ATOM 830 C GLY A 195 -13.634 -6.018 2.453 1.00 0.00 C ATOM 831 O GLY A 195 -12.851 -6.946 2.414 1.00 0.00 O ATOM 0 H GLY A 195 -11.825 -3.428 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.869 -5.158 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.377 -4.448 3.738 1.00 0.00 H new ATOM 835 N SER A 196 -14.700 -5.997 1.700 1.00 0.00 N ATOM 836 CA SER A 196 -14.981 -7.123 0.763 1.00 0.00 C ATOM 837 C SER A 196 -13.712 -7.488 -0.013 1.00 0.00 C ATOM 838 O SER A 196 -12.691 -6.841 0.103 1.00 0.00 O ATOM 839 CB SER A 196 -16.073 -6.702 -0.220 1.00 0.00 C ATOM 840 OG SER A 196 -16.924 -7.811 -0.477 1.00 0.00 O ATOM 0 H SER A 196 -15.391 -5.246 1.693 1.00 0.00 H new ATOM 0 HA SER A 196 -15.312 -7.990 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 196 -16.650 -5.874 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.626 -6.349 -1.149 1.00 0.00 H new ATOM 0 HG SER A 196 -17.627 -7.545 -1.106 1.00 0.00 H new ATOM 846 N ARG A 197 -13.778 -8.526 -0.805 1.00 0.00 N ATOM 847 CA ARG A 197 -12.585 -8.952 -1.595 1.00 0.00 C ATOM 848 C ARG A 197 -11.855 -7.726 -2.146 1.00 0.00 C ATOM 849 O ARG A 197 -12.423 -6.662 -2.288 1.00 0.00 O ATOM 850 CB ARG A 197 -13.037 -9.837 -2.759 1.00 0.00 C ATOM 851 CG ARG A 197 -12.977 -11.307 -2.340 1.00 0.00 C ATOM 852 CD ARG A 197 -13.015 -12.194 -3.586 1.00 0.00 C ATOM 853 NE ARG A 197 -12.205 -13.422 -3.349 1.00 0.00 N ATOM 854 CZ ARG A 197 -12.040 -14.290 -4.310 1.00 0.00 C ATOM 855 NH1 ARG A 197 -13.063 -14.952 -4.776 1.00 0.00 N ATOM 856 NH2 ARG A 197 -10.849 -14.495 -4.807 1.00 0.00 N ATOM 0 H ARG A 197 -14.611 -9.100 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.909 -9.509 -0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.052 -9.574 -3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.398 -9.669 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.066 -11.498 -1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.816 -11.544 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -14.044 -12.465 -3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.625 -11.649 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 197 -11.780 -13.584 -2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -13.993 -14.792 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -12.933 -15.630 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -10.049 -13.977 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -10.720 -15.173 -5.558 1.00 0.00 H new ATOM 870 N ALA A 198 -10.596 -7.872 -2.458 1.00 0.00 N ATOM 871 CA ALA A 198 -9.820 -6.722 -3.003 1.00 0.00 C ATOM 872 C ALA A 198 -8.528 -7.240 -3.641 1.00 0.00 C ATOM 873 O ALA A 198 -8.044 -8.303 -3.309 1.00 0.00 O ATOM 874 CB ALA A 198 -9.478 -5.754 -1.869 1.00 0.00 C ATOM 0 H ALA A 198 -10.070 -8.740 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.415 -6.203 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.910 -4.913 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.398 -5.388 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.881 -6.271 -1.117 1.00 0.00 H new ATOM 880 N LEU A 199 -7.967 -6.498 -4.557 1.00 0.00 N ATOM 881 CA LEU A 199 -6.708 -6.951 -5.213 1.00 0.00 C ATOM 882 C LEU A 199 -5.504 -6.392 -4.454 1.00 0.00 C ATOM 883 O LEU A 199 -5.409 -5.206 -4.206 1.00 0.00 O ATOM 884 CB LEU A 199 -6.676 -6.454 -6.657 1.00 0.00 C ATOM 885 CG LEU A 199 -7.278 -7.519 -7.575 1.00 0.00 C ATOM 886 CD1 LEU A 199 -6.519 -8.835 -7.399 1.00 0.00 C ATOM 887 CD2 LEU A 199 -8.750 -7.730 -7.213 1.00 0.00 C ATOM 0 H LEU A 199 -8.326 -5.599 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.668 -8.040 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.236 -5.523 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.650 -6.238 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.200 -7.190 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -6.949 -9.593 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -5.470 -8.687 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -6.597 -9.164 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -9.180 -8.489 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -8.826 -8.058 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -9.293 -6.793 -7.338 1.00 0.00 H new ATOM 899 N LEU A 200 -4.584 -7.239 -4.082 1.00 0.00 N ATOM 900 CA LEU A 200 -3.384 -6.761 -3.335 1.00 0.00 C ATOM 901 C LEU A 200 -2.126 -7.331 -3.990 1.00 0.00 C ATOM 902 O LEU A 200 -2.184 -8.289 -4.735 1.00 0.00 O ATOM 903 CB LEU A 200 -3.439 -7.234 -1.873 1.00 0.00 C ATOM 904 CG LEU A 200 -4.720 -8.033 -1.608 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.535 -8.902 -0.362 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.883 -7.066 -1.384 1.00 0.00 C ATOM 0 H LEU A 200 -4.611 -8.243 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.366 -5.671 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.568 -7.851 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.397 -6.373 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.933 -8.671 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.447 -9.469 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.705 -9.591 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.321 -8.266 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.795 -7.632 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.667 -6.429 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.017 -6.447 -2.271 1.00 0.00 H new ATOM 918 N ASN A 201 -0.986 -6.764 -3.706 1.00 0.00 N ATOM 919 CA ASN A 201 0.270 -7.301 -4.308 1.00 0.00 C ATOM 920 C ASN A 201 0.397 -8.765 -3.898 1.00 0.00 C ATOM 921 O ASN A 201 0.873 -9.597 -4.643 1.00 0.00 O ATOM 922 CB ASN A 201 1.502 -6.533 -3.804 1.00 0.00 C ATOM 923 CG ASN A 201 1.103 -5.151 -3.289 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.317 -4.859 -2.038 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.591 -4.335 -4.030 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.868 -5.960 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 201 0.223 -7.193 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.988 -7.097 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.228 -6.430 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.425 -4.568 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.327 -3.417 -3.673 1.00 0.00 H new ATOM 932 N PHE A 202 -0.039 -9.080 -2.709 1.00 0.00 N ATOM 933 CA PHE A 202 0.038 -10.486 -2.230 1.00 0.00 C ATOM 934 C PHE A 202 -1.383 -11.010 -2.001 1.00 0.00 C ATOM 935 O PHE A 202 -1.864 -11.031 -0.886 1.00 0.00 O ATOM 936 CB PHE A 202 0.820 -10.537 -0.916 1.00 0.00 C ATOM 937 CG PHE A 202 2.117 -9.782 -1.064 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.768 -9.744 -2.304 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.674 -9.125 0.041 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.975 -9.048 -2.439 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.882 -8.430 -0.094 1.00 0.00 C ATOM 942 CZ PHE A 202 4.533 -8.391 -1.334 1.00 0.00 C ATOM 0 H PHE A 202 -0.447 -8.420 -2.047 1.00 0.00 H new ATOM 0 HA PHE A 202 0.545 -11.103 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.226 -10.103 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.021 -11.573 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.339 -10.251 -3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.172 -9.155 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.476 -9.017 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.312 -7.924 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.465 -7.855 -1.438 1.00 0.00 H new ATOM 952 N PRO A 203 -2.014 -11.417 -3.074 1.00 0.00 N ATOM 953 CA PRO A 203 -3.388 -11.945 -3.033 1.00 0.00 C ATOM 954 C PRO A 203 -3.392 -13.373 -2.484 1.00 0.00 C ATOM 955 O PRO A 203 -2.910 -14.293 -3.113 1.00 0.00 O ATOM 956 CB PRO A 203 -3.830 -11.913 -4.500 1.00 0.00 C ATOM 957 CG PRO A 203 -2.534 -11.906 -5.345 1.00 0.00 C ATOM 958 CD PRO A 203 -1.413 -11.392 -4.424 1.00 0.00 C ATOM 0 HA PRO A 203 -4.052 -11.372 -2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.445 -12.780 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.433 -11.028 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.306 -12.906 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.644 -11.263 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.530 -12.028 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.099 -10.386 -4.702 1.00 0.00 H new