USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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 -80:sc= 0.282 USER MOD Single : A 151 GLN : amide:sc= -0.988 K(o=-0.99,f=-4.8!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.3!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 163:sc= -1.05 (180deg=-2.09!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -5.47! C(o=-8.9!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.881 -3.746 -6.607 1.00 0.00 N ATOM 41 CA TYR A 146 4.467 -3.907 -6.170 1.00 0.00 C ATOM 42 C TYR A 146 3.653 -2.696 -6.632 1.00 0.00 C ATOM 43 O TYR A 146 4.146 -1.585 -6.668 1.00 0.00 O ATOM 44 CB TYR A 146 4.416 -3.997 -4.643 1.00 0.00 C ATOM 45 CG TYR A 146 5.141 -5.235 -4.180 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.866 -6.471 -4.778 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.081 -5.152 -3.143 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.530 -7.623 -4.342 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.744 -6.303 -2.706 1.00 0.00 C ATOM 50 CZ TYR A 146 6.469 -7.541 -3.305 1.00 0.00 C ATOM 51 OH TYR A 146 7.125 -8.676 -2.875 1.00 0.00 O ATOM 0 HA TYR A 146 4.051 -4.816 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.872 -3.111 -4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.380 -4.024 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.141 -6.535 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.293 -4.199 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.319 -8.576 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.468 -6.239 -1.907 1.00 0.00 H new ATOM 0 HH TYR A 146 6.544 -9.179 -2.267 1.00 0.00 H new ATOM 61 N ARG A 147 2.403 -2.891 -6.969 1.00 0.00 N ATOM 62 CA ARG A 147 1.567 -1.734 -7.415 1.00 0.00 C ATOM 63 C ARG A 147 0.983 -1.017 -6.196 1.00 0.00 C ATOM 64 O ARG A 147 -0.089 -0.448 -6.246 1.00 0.00 O ATOM 65 CB ARG A 147 0.434 -2.217 -8.322 1.00 0.00 C ATOM 66 CG ARG A 147 -0.111 -3.538 -7.793 1.00 0.00 C ATOM 67 CD ARG A 147 -1.619 -3.606 -8.041 1.00 0.00 C ATOM 68 NE ARG A 147 -1.935 -4.814 -8.855 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.255 -5.066 -9.942 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.165 -4.162 -10.878 1.00 0.00 N ATOM 71 NH2 ARG A 147 -0.667 -6.221 -10.091 1.00 0.00 N ATOM 0 H ARG A 147 1.928 -3.793 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 147 2.195 -1.041 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.361 -1.472 -8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.799 -2.344 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.387 -4.372 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.097 -3.628 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.153 -3.644 -7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.954 -2.707 -8.559 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.682 -5.444 -8.563 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.625 -3.259 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.634 -4.358 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.738 -6.928 -9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.136 -6.417 -10.940 1.00 0.00 H new ATOM 85 N GLY A 148 1.693 -1.037 -5.109 1.00 0.00 N ATOM 86 CA GLY A 148 1.219 -0.360 -3.874 1.00 0.00 C ATOM 87 C GLY A 148 2.428 -0.076 -2.983 1.00 0.00 C ATOM 88 O GLY A 148 2.302 0.123 -1.791 1.00 0.00 O ATOM 0 H GLY A 148 2.597 -1.501 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.706 0.569 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.501 -0.989 -3.349 1.00 0.00 H new ATOM 92 N VAL A 149 3.604 -0.065 -3.555 1.00 0.00 N ATOM 93 CA VAL A 149 4.825 0.196 -2.746 1.00 0.00 C ATOM 94 C VAL A 149 5.781 1.077 -3.543 1.00 0.00 C ATOM 95 O VAL A 149 6.407 0.637 -4.486 1.00 0.00 O ATOM 96 CB VAL A 149 5.514 -1.130 -2.426 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.769 -0.865 -1.592 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.557 -2.022 -1.636 1.00 0.00 C ATOM 0 H VAL A 149 3.769 -0.226 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 149 4.547 0.699 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 149 5.794 -1.628 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.261 -1.811 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.452 -0.228 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.490 -0.367 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 149 5.047 -2.968 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.278 -1.524 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.662 -2.211 -2.229 1.00 0.00 H new ATOM 108 N ARG A 150 5.906 2.315 -3.168 1.00 0.00 N ATOM 109 CA ARG A 150 6.832 3.217 -3.901 1.00 0.00 C ATOM 110 C ARG A 150 8.239 3.043 -3.330 1.00 0.00 C ATOM 111 O ARG A 150 8.516 3.417 -2.207 1.00 0.00 O ATOM 112 CB ARG A 150 6.376 4.668 -3.734 1.00 0.00 C ATOM 113 CG ARG A 150 5.299 4.988 -4.775 1.00 0.00 C ATOM 114 CD ARG A 150 5.913 5.808 -5.911 1.00 0.00 C ATOM 115 NE ARG A 150 4.976 5.830 -7.070 1.00 0.00 N ATOM 116 CZ ARG A 150 5.155 6.689 -8.038 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.903 6.371 -9.060 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.588 7.862 -7.984 1.00 0.00 N ATOM 0 H ARG A 150 5.408 2.742 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 150 6.833 2.970 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.983 4.824 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.224 5.343 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 150 4.873 4.065 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.484 5.543 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 150 6.114 6.825 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.868 5.377 -6.210 1.00 0.00 H new ATOM 0 HE ARG A 150 4.195 5.175 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 150 6.346 5.453 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 150 6.044 7.040 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.004 8.110 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.729 8.532 -8.740 1.00 0.00 H new ATOM 132 N GLN A 151 9.128 2.465 -4.091 1.00 0.00 N ATOM 133 CA GLN A 151 10.516 2.256 -3.594 1.00 0.00 C ATOM 134 C GLN A 151 11.278 3.580 -3.632 1.00 0.00 C ATOM 135 O GLN A 151 10.951 4.475 -4.386 1.00 0.00 O ATOM 136 CB GLN A 151 11.227 1.232 -4.481 1.00 0.00 C ATOM 137 CG GLN A 151 11.419 1.817 -5.882 1.00 0.00 C ATOM 138 CD GLN A 151 12.912 2.017 -6.152 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.648 2.429 -5.278 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.392 1.741 -7.334 1.00 0.00 N ATOM 0 H GLN A 151 8.952 2.128 -5.037 1.00 0.00 H new ATOM 0 HA GLN A 151 10.482 1.887 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.193 0.969 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.642 0.314 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.990 1.149 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.893 2.768 -5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.773 1.395 -8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.386 1.871 -7.524 1.00 0.00 H new ATOM 149 N ARG A 152 12.293 3.710 -2.824 1.00 0.00 N ATOM 150 CA ARG A 152 13.077 4.975 -2.813 1.00 0.00 C ATOM 151 C ARG A 152 14.457 4.717 -3.423 1.00 0.00 C ATOM 152 O ARG A 152 14.912 3.592 -3.469 1.00 0.00 O ATOM 153 CB ARG A 152 13.235 5.463 -1.372 1.00 0.00 C ATOM 154 CG ARG A 152 11.949 5.175 -0.595 1.00 0.00 C ATOM 155 CD ARG A 152 11.599 6.380 0.280 1.00 0.00 C ATOM 156 NE ARG A 152 10.136 6.650 0.190 1.00 0.00 N ATOM 157 CZ ARG A 152 9.679 7.477 -0.709 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.221 8.655 -0.850 1.00 0.00 N ATOM 159 NH2 ARG A 152 8.676 7.126 -1.469 1.00 0.00 N ATOM 0 H ARG A 152 12.613 2.995 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 152 12.557 5.735 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.079 4.963 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.449 6.532 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.133 4.966 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.077 4.288 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.881 6.186 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.162 7.255 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 152 9.492 6.188 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.004 8.931 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.862 9.301 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 152 8.251 6.205 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.318 7.773 -2.172 1.00 0.00 H new ATOM 173 N PRO A 153 15.080 5.773 -3.878 1.00 0.00 N ATOM 174 CA PRO A 153 16.413 5.699 -4.500 1.00 0.00 C ATOM 175 C PRO A 153 17.514 5.611 -3.434 1.00 0.00 C ATOM 176 O PRO A 153 18.679 5.790 -3.723 1.00 0.00 O ATOM 177 CB PRO A 153 16.516 7.016 -5.275 1.00 0.00 C ATOM 178 CG PRO A 153 15.520 7.996 -4.607 1.00 0.00 C ATOM 179 CD PRO A 153 14.512 7.135 -3.824 1.00 0.00 C ATOM 0 HA PRO A 153 16.537 4.819 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 153 17.532 7.410 -5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 153 16.269 6.868 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.041 8.684 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.011 8.602 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.406 7.482 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 153 13.521 7.171 -4.277 1.00 0.00 H new ATOM 187 N TRP A 154 17.158 5.337 -2.207 1.00 0.00 N ATOM 188 CA TRP A 154 18.194 5.242 -1.138 1.00 0.00 C ATOM 189 C TRP A 154 18.162 3.845 -0.515 1.00 0.00 C ATOM 190 O TRP A 154 19.146 3.371 0.019 1.00 0.00 O ATOM 191 CB TRP A 154 17.914 6.290 -0.059 1.00 0.00 C ATOM 192 CG TRP A 154 18.893 7.412 -0.189 1.00 0.00 C ATOM 193 CD1 TRP A 154 18.579 8.681 -0.537 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.335 7.389 0.020 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.737 9.438 -0.556 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.845 8.687 -0.221 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.241 6.376 0.389 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.207 8.970 -0.099 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.612 6.658 0.514 1.00 0.00 C ATOM 200 CH2 TRP A 154 23.093 7.952 0.270 1.00 0.00 C ATOM 0 H TRP A 154 16.199 5.176 -1.900 1.00 0.00 H new ATOM 0 HA TRP A 154 19.178 5.422 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.896 6.668 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.991 5.839 0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 154 17.587 9.044 -0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 154 19.768 10.430 -0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.880 5.376 0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.574 9.968 -0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.298 5.874 0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 154 24.148 8.163 0.367 1.00 0.00 H new ATOM 211 N GLY A 155 17.040 3.181 -0.577 1.00 0.00 N ATOM 212 CA GLY A 155 16.947 1.815 0.013 1.00 0.00 C ATOM 213 C GLY A 155 15.751 1.748 0.965 1.00 0.00 C ATOM 214 O GLY A 155 15.780 1.060 1.966 1.00 0.00 O ATOM 0 H GLY A 155 16.183 3.525 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.837 1.073 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.865 1.576 0.549 1.00 0.00 H new ATOM 218 N LYS A 156 14.698 2.457 0.660 1.00 0.00 N ATOM 219 CA LYS A 156 13.502 2.433 1.549 1.00 0.00 C ATOM 220 C LYS A 156 12.263 2.074 0.724 1.00 0.00 C ATOM 221 O LYS A 156 12.360 1.671 -0.418 1.00 0.00 O ATOM 222 CB LYS A 156 13.308 3.813 2.179 1.00 0.00 C ATOM 223 CG LYS A 156 14.278 3.983 3.349 1.00 0.00 C ATOM 224 CD LYS A 156 13.848 5.183 4.195 1.00 0.00 C ATOM 225 CE LYS A 156 14.496 5.092 5.577 1.00 0.00 C ATOM 226 NZ LYS A 156 14.656 6.463 6.140 1.00 0.00 N ATOM 0 H LYS A 156 14.614 3.051 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 156 13.647 1.691 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.480 4.591 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.281 3.925 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.291 3.080 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.292 4.131 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.142 6.111 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.762 5.203 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.880 4.484 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.467 4.601 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.097 6.403 7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.260 7.029 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.723 6.915 6.223 1.00 0.00 H new ATOM 240 N PHE A 157 11.100 2.218 1.297 1.00 0.00 N ATOM 241 CA PHE A 157 9.856 1.887 0.549 1.00 0.00 C ATOM 242 C PHE A 157 8.681 2.655 1.154 1.00 0.00 C ATOM 243 O PHE A 157 8.811 3.296 2.178 1.00 0.00 O ATOM 244 CB PHE A 157 9.592 0.383 0.647 1.00 0.00 C ATOM 245 CG PHE A 157 10.531 -0.347 -0.280 1.00 0.00 C ATOM 246 CD1 PHE A 157 10.211 -0.476 -1.638 1.00 0.00 C ATOM 247 CD2 PHE A 157 11.723 -0.891 0.214 1.00 0.00 C ATOM 248 CE1 PHE A 157 11.084 -1.151 -2.501 1.00 0.00 C ATOM 249 CE2 PHE A 157 12.597 -1.565 -0.649 1.00 0.00 C ATOM 250 CZ PHE A 157 12.277 -1.695 -2.008 1.00 0.00 C ATOM 0 H PHE A 157 10.958 2.551 2.251 1.00 0.00 H new ATOM 0 HA PHE A 157 9.971 2.168 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.736 0.042 1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.558 0.165 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 157 9.292 -0.055 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 157 11.969 -0.791 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 157 10.837 -1.252 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.516 -1.984 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.950 -2.214 -2.674 1.00 0.00 H new ATOM 260 N ALA A 158 7.536 2.609 0.529 1.00 0.00 N ATOM 261 CA ALA A 158 6.369 3.349 1.084 1.00 0.00 C ATOM 262 C ALA A 158 5.067 2.636 0.717 1.00 0.00 C ATOM 263 O ALA A 158 4.712 2.526 -0.438 1.00 0.00 O ATOM 264 CB ALA A 158 6.343 4.763 0.505 1.00 0.00 C ATOM 0 H ALA A 158 7.359 2.096 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 158 6.462 3.391 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.489 5.306 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.263 5.282 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.258 4.710 -0.580 1.00 0.00 H new ATOM 270 N ALA A 159 4.342 2.169 1.694 1.00 0.00 N ATOM 271 CA ALA A 159 3.054 1.485 1.396 1.00 0.00 C ATOM 272 C ALA A 159 1.947 2.540 1.319 1.00 0.00 C ATOM 273 O ALA A 159 1.694 3.256 2.269 1.00 0.00 O ATOM 274 CB ALA A 159 2.735 0.482 2.506 1.00 0.00 C ATOM 0 H ALA A 159 4.585 2.231 2.683 1.00 0.00 H new ATOM 0 HA ALA A 159 3.126 0.951 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.792 -0.017 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.532 -0.259 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.654 1.007 3.458 1.00 0.00 H new ATOM 280 N GLU A 160 1.296 2.652 0.193 1.00 0.00 N ATOM 281 CA GLU A 160 0.218 3.671 0.059 1.00 0.00 C ATOM 282 C GLU A 160 -0.910 3.125 -0.819 1.00 0.00 C ATOM 283 O GLU A 160 -0.687 2.367 -1.741 1.00 0.00 O ATOM 284 CB GLU A 160 0.797 4.934 -0.582 1.00 0.00 C ATOM 285 CG GLU A 160 2.231 5.141 -0.092 1.00 0.00 C ATOM 286 CD GLU A 160 2.809 6.409 -0.724 1.00 0.00 C ATOM 287 OE1 GLU A 160 2.136 7.425 -0.689 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.916 6.341 -1.233 1.00 0.00 O ATOM 0 H GLU A 160 1.464 2.084 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.181 3.907 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.782 4.844 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.185 5.799 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.247 5.224 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.844 4.279 -0.355 1.00 0.00 H new ATOM 295 N ILE A 161 -2.124 3.513 -0.538 1.00 0.00 N ATOM 296 CA ILE A 161 -3.277 3.032 -1.347 1.00 0.00 C ATOM 297 C ILE A 161 -4.202 4.214 -1.644 1.00 0.00 C ATOM 298 O ILE A 161 -4.388 5.088 -0.819 1.00 0.00 O ATOM 299 CB ILE A 161 -4.038 1.967 -0.556 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.262 1.513 -1.354 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.494 2.555 0.781 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.016 0.445 -0.560 1.00 0.00 C ATOM 0 H ILE A 161 -2.367 4.147 0.223 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.923 2.601 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.384 1.113 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.915 2.362 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.953 1.114 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.037 1.797 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.624 2.879 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.147 3.409 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.889 0.119 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.360 -0.407 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.337 0.861 0.395 1.00 0.00 H new ATOM 314 N ARG A 162 -4.782 4.257 -2.812 1.00 0.00 N ATOM 315 CA ARG A 162 -5.686 5.395 -3.148 1.00 0.00 C ATOM 316 C ARG A 162 -7.068 5.158 -2.535 1.00 0.00 C ATOM 317 O ARG A 162 -7.621 4.079 -2.623 1.00 0.00 O ATOM 318 CB ARG A 162 -5.819 5.514 -4.668 1.00 0.00 C ATOM 319 CG ARG A 162 -6.360 6.901 -5.023 1.00 0.00 C ATOM 320 CD ARG A 162 -5.218 7.917 -4.994 1.00 0.00 C ATOM 321 NE ARG A 162 -5.770 9.279 -4.753 1.00 0.00 N ATOM 322 CZ ARG A 162 -4.961 10.292 -4.596 1.00 0.00 C ATOM 323 NH1 ARG A 162 -3.746 10.234 -5.067 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.367 11.360 -3.965 1.00 0.00 N ATOM 0 H ARG A 162 -4.670 3.557 -3.546 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.265 6.316 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.850 5.357 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.489 4.742 -5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.819 6.882 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.137 7.192 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.506 7.658 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.674 7.895 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.779 9.421 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.429 9.398 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -3.113 11.025 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.316 11.403 -3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.735 12.151 -3.842 1.00 0.00 H new ATOM 338 N ASP A 163 -7.633 6.161 -1.917 1.00 0.00 N ATOM 339 CA ASP A 163 -8.980 5.997 -1.302 1.00 0.00 C ATOM 340 C ASP A 163 -9.939 7.039 -1.891 1.00 0.00 C ATOM 341 O ASP A 163 -9.883 8.199 -1.531 1.00 0.00 O ATOM 342 CB ASP A 163 -8.881 6.205 0.211 1.00 0.00 C ATOM 343 CG ASP A 163 -10.219 5.844 0.861 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.193 5.719 0.136 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.247 5.700 2.072 1.00 0.00 O ATOM 0 H ASP A 163 -7.219 7.087 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.352 4.994 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.085 5.585 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.625 7.241 0.431 1.00 0.00 H new ATOM 350 N PRO A 164 -10.792 6.597 -2.782 1.00 0.00 N ATOM 351 CA PRO A 164 -11.776 7.476 -3.439 1.00 0.00 C ATOM 352 C PRO A 164 -12.952 7.764 -2.501 1.00 0.00 C ATOM 353 O PRO A 164 -13.570 8.809 -2.565 1.00 0.00 O ATOM 354 CB PRO A 164 -12.227 6.662 -4.655 1.00 0.00 C ATOM 355 CG PRO A 164 -11.924 5.181 -4.327 1.00 0.00 C ATOM 356 CD PRO A 164 -10.856 5.187 -3.216 1.00 0.00 C ATOM 0 HA PRO A 164 -11.367 8.449 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.290 6.807 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.695 6.978 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.825 4.665 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.562 4.655 -5.210 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.134 4.529 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.892 4.841 -3.589 1.00 0.00 H new ATOM 364 N ALA A 165 -13.265 6.846 -1.630 1.00 0.00 N ATOM 365 CA ALA A 165 -14.398 7.063 -0.688 1.00 0.00 C ATOM 366 C ALA A 165 -14.128 8.306 0.164 1.00 0.00 C ATOM 367 O ALA A 165 -15.040 8.954 0.640 1.00 0.00 O ATOM 368 CB ALA A 165 -14.539 5.844 0.225 1.00 0.00 C ATOM 0 H ALA A 165 -12.784 5.952 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.318 7.205 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.368 6.001 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.732 4.957 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.617 5.704 0.790 1.00 0.00 H new ATOM 374 N LYS A 166 -12.883 8.642 0.367 1.00 0.00 N ATOM 375 CA LYS A 166 -12.558 9.840 1.193 1.00 0.00 C ATOM 376 C LYS A 166 -12.440 11.073 0.294 1.00 0.00 C ATOM 377 O LYS A 166 -11.603 11.929 0.505 1.00 0.00 O ATOM 378 CB LYS A 166 -11.233 9.611 1.923 1.00 0.00 C ATOM 379 CG LYS A 166 -11.401 8.477 2.935 1.00 0.00 C ATOM 380 CD LYS A 166 -12.413 8.894 4.004 1.00 0.00 C ATOM 381 CE LYS A 166 -11.726 8.943 5.368 1.00 0.00 C ATOM 382 NZ LYS A 166 -12.052 10.230 6.042 1.00 0.00 N ATOM 0 H LYS A 166 -12.077 8.139 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.353 10.002 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.449 9.362 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.922 10.524 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.741 7.572 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.442 8.243 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.832 9.870 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -13.243 8.188 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.054 8.105 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -10.647 8.846 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -11.585 10.264 6.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -11.718 11.022 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.081 10.304 6.170 1.00 0.00 H new ATOM 396 N ASN A 167 -13.271 11.174 -0.706 1.00 0.00 N ATOM 397 CA ASN A 167 -13.206 12.354 -1.614 1.00 0.00 C ATOM 398 C ASN A 167 -11.774 12.531 -2.125 1.00 0.00 C ATOM 399 O ASN A 167 -11.212 13.606 -2.065 1.00 0.00 O ATOM 400 CB ASN A 167 -13.630 13.610 -0.849 1.00 0.00 C ATOM 401 CG ASN A 167 -14.686 14.370 -1.655 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.823 14.163 -2.845 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.440 15.249 -1.055 1.00 0.00 N ATOM 0 H ASN A 167 -13.993 10.490 -0.934 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.876 12.197 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.031 13.336 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.765 14.249 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.145 15.763 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.325 15.423 -0.056 1.00 0.00 H new ATOM 410 N GLY A 168 -11.178 11.485 -2.631 1.00 0.00 N ATOM 411 CA GLY A 168 -9.783 11.601 -3.146 1.00 0.00 C ATOM 412 C GLY A 168 -8.843 11.980 -2.001 1.00 0.00 C ATOM 413 O GLY A 168 -8.470 13.127 -1.845 1.00 0.00 O ATOM 0 H GLY A 168 -11.595 10.558 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.469 10.656 -3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.736 12.354 -3.933 1.00 0.00 H new ATOM 417 N ALA A 169 -8.452 11.026 -1.200 1.00 0.00 N ATOM 418 CA ALA A 169 -7.533 11.330 -0.067 1.00 0.00 C ATOM 419 C ALA A 169 -6.393 10.310 -0.053 1.00 0.00 C ATOM 420 O ALA A 169 -6.521 9.229 0.487 1.00 0.00 O ATOM 421 CB ALA A 169 -8.304 11.255 1.252 1.00 0.00 C ATOM 0 H ALA A 169 -8.730 10.048 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.124 12.333 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.631 11.477 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.117 11.981 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.714 10.253 1.377 1.00 0.00 H new ATOM 427 N ARG A 170 -5.279 10.643 -0.646 1.00 0.00 N ATOM 428 CA ARG A 170 -4.130 9.694 -0.674 1.00 0.00 C ATOM 429 C ARG A 170 -3.943 9.065 0.710 1.00 0.00 C ATOM 430 O ARG A 170 -3.946 9.744 1.718 1.00 0.00 O ATOM 431 CB ARG A 170 -2.857 10.446 -1.072 1.00 0.00 C ATOM 432 CG ARG A 170 -2.568 11.548 -0.051 1.00 0.00 C ATOM 433 CD ARG A 170 -1.487 12.482 -0.599 1.00 0.00 C ATOM 434 NE ARG A 170 -0.176 11.770 -0.611 1.00 0.00 N ATOM 435 CZ ARG A 170 0.745 12.117 -1.466 1.00 0.00 C ATOM 436 NH1 ARG A 170 0.814 13.350 -1.889 1.00 0.00 N ATOM 437 NH2 ARG A 170 1.601 11.231 -1.898 1.00 0.00 N ATOM 0 H ARG A 170 -5.115 11.534 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.330 8.907 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.016 9.755 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.975 10.879 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.477 12.111 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.240 11.109 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.747 12.805 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.420 13.379 0.016 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.000 11.012 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.147 14.043 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 170 1.535 13.620 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 170 1.549 10.268 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 170 2.322 11.502 -2.567 1.00 0.00 H new ATOM 451 N VAL A 171 -3.782 7.770 0.765 1.00 0.00 N ATOM 452 CA VAL A 171 -3.597 7.093 2.081 1.00 0.00 C ATOM 453 C VAL A 171 -2.156 6.590 2.197 1.00 0.00 C ATOM 454 O VAL A 171 -1.788 5.592 1.614 1.00 0.00 O ATOM 455 CB VAL A 171 -4.561 5.909 2.183 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.173 5.032 3.376 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.987 6.427 2.379 1.00 0.00 C ATOM 0 H VAL A 171 -3.771 7.151 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.801 7.799 2.886 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.508 5.321 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.861 4.189 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.157 4.661 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.224 5.620 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.674 5.584 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.037 7.016 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.267 7.051 1.530 1.00 0.00 H new ATOM 467 N TRP A 172 -1.336 7.276 2.944 1.00 0.00 N ATOM 468 CA TRP A 172 0.079 6.837 3.094 1.00 0.00 C ATOM 469 C TRP A 172 0.216 5.959 4.339 1.00 0.00 C ATOM 470 O TRP A 172 0.345 6.449 5.444 1.00 0.00 O ATOM 471 CB TRP A 172 0.979 8.065 3.237 1.00 0.00 C ATOM 472 CG TRP A 172 2.411 7.638 3.309 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.951 6.888 4.297 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.494 7.926 2.377 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.296 6.701 4.031 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.676 7.320 2.862 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.562 8.647 1.171 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.885 7.424 2.177 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.779 8.756 0.475 1.00 0.00 C ATOM 480 CH2 TRP A 172 5.939 8.145 0.978 1.00 0.00 C ATOM 0 H TRP A 172 -1.585 8.122 3.457 1.00 0.00 H new ATOM 0 HA TRP A 172 0.376 6.266 2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.832 8.736 2.390 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.710 8.622 4.135 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.420 6.499 5.153 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.929 6.169 4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.674 9.120 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.774 6.952 2.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.822 9.312 -0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.872 8.231 0.441 1.00 0.00 H new ATOM 491 N LEU A 173 0.192 4.665 4.172 1.00 0.00 N ATOM 492 CA LEU A 173 0.325 3.762 5.350 1.00 0.00 C ATOM 493 C LEU A 173 1.596 4.126 6.117 1.00 0.00 C ATOM 494 O LEU A 173 1.582 4.294 7.320 1.00 0.00 O ATOM 495 CB LEU A 173 0.418 2.310 4.877 1.00 0.00 C ATOM 496 CG LEU A 173 -0.986 1.766 4.599 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.096 1.366 3.126 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.237 0.539 5.478 1.00 0.00 C ATOM 0 H LEU A 173 0.086 4.195 3.273 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.545 3.876 5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.027 2.250 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.911 1.701 5.635 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.725 2.535 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.095 0.979 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.913 2.238 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.358 0.596 2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.236 0.149 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.497 -0.229 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.157 0.821 6.528 1.00 0.00 H new ATOM 510 N GLY A 174 2.698 4.252 5.427 1.00 0.00 N ATOM 511 CA GLY A 174 3.973 4.608 6.114 1.00 0.00 C ATOM 512 C GLY A 174 5.153 4.010 5.349 1.00 0.00 C ATOM 513 O GLY A 174 4.999 3.083 4.578 1.00 0.00 O ATOM 0 H GLY A 174 2.770 4.124 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.076 5.692 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.963 4.233 7.138 1.00 0.00 H new ATOM 517 N THR A 175 6.331 4.536 5.547 1.00 0.00 N ATOM 518 CA THR A 175 7.516 3.997 4.821 1.00 0.00 C ATOM 519 C THR A 175 7.963 2.690 5.468 1.00 0.00 C ATOM 520 O THR A 175 7.899 2.520 6.670 1.00 0.00 O ATOM 521 CB THR A 175 8.664 5.008 4.871 1.00 0.00 C ATOM 522 OG1 THR A 175 9.467 4.759 6.016 1.00 0.00 O ATOM 523 CG2 THR A 175 8.095 6.424 4.938 1.00 0.00 C ATOM 0 H THR A 175 6.524 5.314 6.178 1.00 0.00 H new ATOM 0 HA THR A 175 7.243 3.815 3.782 1.00 0.00 H new ATOM 0 HB THR A 175 9.275 4.908 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.203 5.406 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.913 7.144 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.484 6.613 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.481 6.528 5.833 1.00 0.00 H new ATOM 531 N PHE A 176 8.418 1.765 4.675 1.00 0.00 N ATOM 532 CA PHE A 176 8.874 0.463 5.229 1.00 0.00 C ATOM 533 C PHE A 176 10.361 0.278 4.921 1.00 0.00 C ATOM 534 O PHE A 176 10.981 1.112 4.291 1.00 0.00 O ATOM 535 CB PHE A 176 8.064 -0.667 4.594 1.00 0.00 C ATOM 536 CG PHE A 176 6.665 -0.636 5.157 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.733 0.288 4.666 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.302 -1.522 6.178 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.437 0.322 5.193 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.007 -1.488 6.707 1.00 0.00 C ATOM 541 CZ PHE A 176 4.074 -0.566 6.215 1.00 0.00 C ATOM 0 H PHE A 176 8.494 1.855 3.662 1.00 0.00 H new ATOM 0 HA PHE A 176 8.726 0.446 6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.038 -0.550 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.533 -1.629 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.015 0.974 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.022 -2.232 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.717 1.032 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.727 -2.172 7.494 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.075 -0.539 6.623 1.00 0.00 H new ATOM 551 N GLU A 177 10.942 -0.802 5.366 1.00 0.00 N ATOM 552 CA GLU A 177 12.392 -1.025 5.103 1.00 0.00 C ATOM 553 C GLU A 177 12.577 -1.745 3.765 1.00 0.00 C ATOM 554 O GLU A 177 13.606 -1.636 3.131 1.00 0.00 O ATOM 555 CB GLU A 177 12.987 -1.876 6.227 1.00 0.00 C ATOM 556 CG GLU A 177 13.131 -1.025 7.489 1.00 0.00 C ATOM 557 CD GLU A 177 14.160 0.081 7.244 1.00 0.00 C ATOM 558 OE1 GLU A 177 13.807 1.062 6.609 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.283 -0.072 7.696 1.00 0.00 O ATOM 0 H GLU A 177 10.477 -1.538 5.899 1.00 0.00 H new ATOM 0 HA GLU A 177 12.901 -0.062 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.346 -2.735 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 177 13.959 -2.267 5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 177 12.169 -0.588 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.444 -1.648 8.327 1.00 0.00 H new ATOM 566 N THR A 178 11.592 -2.483 3.331 1.00 0.00 N ATOM 567 CA THR A 178 11.726 -3.207 2.034 1.00 0.00 C ATOM 568 C THR A 178 10.395 -3.162 1.281 1.00 0.00 C ATOM 569 O THR A 178 9.415 -2.627 1.761 1.00 0.00 O ATOM 570 CB THR A 178 12.109 -4.664 2.302 1.00 0.00 C ATOM 571 OG1 THR A 178 10.936 -5.414 2.587 1.00 0.00 O ATOM 572 CG2 THR A 178 13.063 -4.731 3.495 1.00 0.00 C ATOM 0 H THR A 178 10.704 -2.616 3.815 1.00 0.00 H new ATOM 0 HA THR A 178 12.499 -2.730 1.432 1.00 0.00 H new ATOM 0 HB THR A 178 12.602 -5.079 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.178 -6.348 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.335 -5.769 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.962 -4.155 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.573 -4.317 4.376 1.00 0.00 H new ATOM 580 N ALA A 179 10.355 -3.722 0.104 1.00 0.00 N ATOM 581 CA ALA A 179 9.093 -3.717 -0.681 1.00 0.00 C ATOM 582 C ALA A 179 8.179 -4.828 -0.169 1.00 0.00 C ATOM 583 O ALA A 179 6.981 -4.782 -0.341 1.00 0.00 O ATOM 584 CB ALA A 179 9.412 -3.966 -2.155 1.00 0.00 C ATOM 0 H ALA A 179 11.145 -4.183 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 179 8.597 -2.752 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.488 -3.963 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.072 -3.180 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.904 -4.933 -2.263 1.00 0.00 H new ATOM 590 N GLU A 180 8.737 -5.829 0.453 1.00 0.00 N ATOM 591 CA GLU A 180 7.901 -6.950 0.973 1.00 0.00 C ATOM 592 C GLU A 180 7.158 -6.500 2.231 1.00 0.00 C ATOM 593 O GLU A 180 6.028 -6.877 2.463 1.00 0.00 O ATOM 594 CB GLU A 180 8.800 -8.142 1.311 1.00 0.00 C ATOM 595 CG GLU A 180 7.966 -9.424 1.342 1.00 0.00 C ATOM 596 CD GLU A 180 8.881 -10.632 1.138 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.092 -11.003 -0.005 1.00 0.00 O ATOM 598 OE2 GLU A 180 9.357 -11.163 2.128 1.00 0.00 O ATOM 0 H GLU A 180 9.738 -5.920 0.625 1.00 0.00 H new ATOM 0 HA GLU A 180 7.177 -7.242 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.595 -8.232 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.280 -7.985 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.443 -9.507 2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.205 -9.395 0.562 1.00 0.00 H new ATOM 605 N ASP A 181 7.784 -5.701 3.048 1.00 0.00 N ATOM 606 CA ASP A 181 7.117 -5.232 4.292 1.00 0.00 C ATOM 607 C ASP A 181 6.090 -4.152 3.947 1.00 0.00 C ATOM 608 O ASP A 181 4.983 -4.151 4.450 1.00 0.00 O ATOM 609 CB ASP A 181 8.166 -4.658 5.247 1.00 0.00 C ATOM 610 CG ASP A 181 9.503 -5.374 5.041 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.525 -6.589 5.149 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.482 -4.694 4.779 1.00 0.00 O ATOM 0 H ASP A 181 8.732 -5.352 2.907 1.00 0.00 H new ATOM 0 HA ASP A 181 6.611 -6.070 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.285 -3.589 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.835 -4.776 6.279 1.00 0.00 H new ATOM 617 N ALA A 182 6.445 -3.230 3.093 1.00 0.00 N ATOM 618 CA ALA A 182 5.485 -2.152 2.720 1.00 0.00 C ATOM 619 C ALA A 182 4.331 -2.752 1.917 1.00 0.00 C ATOM 620 O ALA A 182 3.184 -2.396 2.097 1.00 0.00 O ATOM 621 CB ALA A 182 6.204 -1.096 1.875 1.00 0.00 C ATOM 0 H ALA A 182 7.357 -3.177 2.638 1.00 0.00 H new ATOM 0 HA ALA A 182 5.093 -1.686 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.502 -0.308 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.025 -0.667 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.598 -1.560 0.971 1.00 0.00 H new ATOM 627 N ALA A 183 4.627 -3.666 1.036 1.00 0.00 N ATOM 628 CA ALA A 183 3.547 -4.294 0.226 1.00 0.00 C ATOM 629 C ALA A 183 2.658 -5.131 1.144 1.00 0.00 C ATOM 630 O ALA A 183 1.454 -5.171 0.988 1.00 0.00 O ATOM 631 CB ALA A 183 4.162 -5.189 -0.852 1.00 0.00 C ATOM 0 H ALA A 183 5.569 -4.005 0.842 1.00 0.00 H new ATOM 0 HA ALA A 183 2.952 -3.518 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.368 -5.646 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.798 -4.590 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.759 -5.970 -0.380 1.00 0.00 H new ATOM 637 N LEU A 184 3.247 -5.790 2.106 1.00 0.00 N ATOM 638 CA LEU A 184 2.445 -6.618 3.049 1.00 0.00 C ATOM 639 C LEU A 184 1.465 -5.713 3.793 1.00 0.00 C ATOM 640 O LEU A 184 0.298 -6.023 3.941 1.00 0.00 O ATOM 641 CB LEU A 184 3.383 -7.293 4.050 1.00 0.00 C ATOM 642 CG LEU A 184 2.802 -8.644 4.462 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.327 -8.477 4.832 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.929 -9.629 3.299 1.00 0.00 C ATOM 0 H LEU A 184 4.252 -5.790 2.279 1.00 0.00 H new ATOM 0 HA LEU A 184 1.894 -7.381 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.369 -7.430 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.514 -6.659 4.927 1.00 0.00 H new ATOM 0 HG LEU A 184 3.349 -9.026 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.914 -9.442 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.237 -7.776 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.777 -8.094 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.515 -10.594 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 184 2.383 -9.246 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.980 -9.750 3.038 1.00 0.00 H new ATOM 656 N ALA A 185 1.933 -4.587 4.253 1.00 0.00 N ATOM 657 CA ALA A 185 1.037 -3.646 4.979 1.00 0.00 C ATOM 658 C ALA A 185 0.060 -3.023 3.981 1.00 0.00 C ATOM 659 O ALA A 185 -0.974 -2.502 4.349 1.00 0.00 O ATOM 660 CB ALA A 185 1.878 -2.546 5.636 1.00 0.00 C ATOM 0 H ALA A 185 2.900 -4.277 4.157 1.00 0.00 H new ATOM 0 HA ALA A 185 0.482 -4.180 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.223 -1.856 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.580 -2.995 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.430 -2.003 4.869 1.00 0.00 H new ATOM 666 N TYR A 186 0.379 -3.084 2.717 1.00 0.00 N ATOM 667 CA TYR A 186 -0.530 -2.510 1.686 1.00 0.00 C ATOM 668 C TYR A 186 -1.712 -3.457 1.482 1.00 0.00 C ATOM 669 O TYR A 186 -2.811 -3.041 1.175 1.00 0.00 O ATOM 670 CB TYR A 186 0.225 -2.362 0.364 1.00 0.00 C ATOM 671 CG TYR A 186 -0.751 -2.014 -0.731 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.541 -3.017 -1.307 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.871 -0.688 -1.170 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.452 -2.696 -2.322 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.780 -0.367 -2.186 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.570 -1.370 -2.762 1.00 0.00 C ATOM 677 OH TYR A 186 -3.467 -1.053 -3.762 1.00 0.00 O ATOM 0 H TYR A 186 1.233 -3.508 2.353 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.885 -1.533 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.984 -1.585 0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.744 -3.289 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.448 -4.038 -0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.263 0.086 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.063 -3.469 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.872 0.654 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.424 -0.092 -3.947 1.00 0.00 H new ATOM 687 N ASP A 187 -1.486 -4.732 1.647 1.00 0.00 N ATOM 688 CA ASP A 187 -2.578 -5.721 1.465 1.00 0.00 C ATOM 689 C ASP A 187 -3.611 -5.562 2.579 1.00 0.00 C ATOM 690 O ASP A 187 -4.795 -5.454 2.332 1.00 0.00 O ATOM 691 CB ASP A 187 -1.984 -7.127 1.521 1.00 0.00 C ATOM 692 CG ASP A 187 -0.855 -7.246 0.495 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.657 -6.301 -0.249 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.207 -8.280 0.474 1.00 0.00 O ATOM 0 H ASP A 187 -0.583 -5.131 1.902 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.063 -5.558 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.604 -7.333 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.756 -7.868 1.315 1.00 0.00 H new ATOM 699 N ARG A 188 -3.169 -5.551 3.804 1.00 0.00 N ATOM 700 CA ARG A 188 -4.125 -5.406 4.939 1.00 0.00 C ATOM 701 C ARG A 188 -4.840 -4.056 4.844 1.00 0.00 C ATOM 702 O ARG A 188 -5.953 -3.901 5.308 1.00 0.00 O ATOM 703 CB ARG A 188 -3.360 -5.486 6.261 1.00 0.00 C ATOM 704 CG ARG A 188 -4.331 -5.304 7.427 1.00 0.00 C ATOM 705 CD ARG A 188 -3.923 -4.075 8.243 1.00 0.00 C ATOM 706 NE ARG A 188 -5.144 -3.391 8.756 1.00 0.00 N ATOM 707 CZ ARG A 188 -5.588 -3.662 9.953 1.00 0.00 C ATOM 708 NH1 ARG A 188 -5.289 -4.800 10.516 1.00 0.00 N ATOM 709 NH2 ARG A 188 -6.329 -2.795 10.586 1.00 0.00 N ATOM 0 H ARG A 188 -2.188 -5.636 4.070 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.863 -6.207 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.854 -6.448 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.589 -4.717 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -5.348 -5.184 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.327 -6.192 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.284 -4.373 9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.343 -3.391 7.624 1.00 0.00 H new ATOM 0 HE ARG A 188 -5.632 -2.712 8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -4.709 -5.477 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -5.635 -5.013 11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -6.562 -1.905 10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -6.676 -3.007 11.521 1.00 0.00 H new ATOM 723 N ALA A 189 -4.214 -3.077 4.250 1.00 0.00 N ATOM 724 CA ALA A 189 -4.867 -1.742 4.131 1.00 0.00 C ATOM 725 C ALA A 189 -5.744 -1.718 2.878 1.00 0.00 C ATOM 726 O ALA A 189 -6.674 -0.944 2.772 1.00 0.00 O ATOM 727 CB ALA A 189 -3.795 -0.655 4.025 1.00 0.00 C ATOM 0 H ALA A 189 -3.281 -3.143 3.843 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.482 -1.557 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.273 0.321 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.168 -0.674 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.179 -0.837 3.145 1.00 0.00 H new ATOM 733 N ALA A 190 -5.454 -2.564 1.930 1.00 0.00 N ATOM 734 CA ALA A 190 -6.268 -2.598 0.684 1.00 0.00 C ATOM 735 C ALA A 190 -7.447 -3.550 0.882 1.00 0.00 C ATOM 736 O ALA A 190 -8.399 -3.538 0.129 1.00 0.00 O ATOM 737 CB ALA A 190 -5.403 -3.094 -0.477 1.00 0.00 C ATOM 0 H ALA A 190 -4.686 -3.235 1.965 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.637 -1.597 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.999 -3.119 -1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.557 -2.420 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.036 -4.096 -0.255 1.00 0.00 H new ATOM 743 N PHE A 191 -7.388 -4.373 1.891 1.00 0.00 N ATOM 744 CA PHE A 191 -8.502 -5.327 2.144 1.00 0.00 C ATOM 745 C PHE A 191 -9.493 -4.697 3.122 1.00 0.00 C ATOM 746 O PHE A 191 -10.682 -4.939 3.063 1.00 0.00 O ATOM 747 CB PHE A 191 -7.936 -6.617 2.743 1.00 0.00 C ATOM 748 CG PHE A 191 -8.529 -7.807 2.032 1.00 0.00 C ATOM 749 CD1 PHE A 191 -7.990 -8.229 0.809 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.618 -8.490 2.590 1.00 0.00 C ATOM 751 CE1 PHE A 191 -8.537 -9.334 0.145 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.166 -9.595 1.926 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.627 -10.017 0.704 1.00 0.00 C ATOM 0 H PHE A 191 -6.614 -4.426 2.553 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.012 -5.556 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.850 -6.628 2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -8.164 -6.666 3.808 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.152 -7.701 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -10.035 -8.165 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.120 -9.660 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.005 -10.122 2.357 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.051 -10.868 0.192 1.00 0.00 H new ATOM 763 N ARG A 192 -9.010 -3.886 4.017 1.00 0.00 N ATOM 764 CA ARG A 192 -9.919 -3.232 4.997 1.00 0.00 C ATOM 765 C ARG A 192 -10.619 -2.057 4.319 1.00 0.00 C ATOM 766 O ARG A 192 -11.796 -1.820 4.512 1.00 0.00 O ATOM 767 CB ARG A 192 -9.101 -2.722 6.183 1.00 0.00 C ATOM 768 CG ARG A 192 -10.043 -2.187 7.262 1.00 0.00 C ATOM 769 CD ARG A 192 -9.249 -1.343 8.257 1.00 0.00 C ATOM 770 NE ARG A 192 -8.646 -0.179 7.550 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.624 0.443 8.069 1.00 0.00 C ATOM 772 NH1 ARG A 192 -7.805 1.314 9.024 1.00 0.00 N ATOM 773 NH2 ARG A 192 -6.420 0.193 7.634 1.00 0.00 N ATOM 0 H ARG A 192 -8.023 -3.647 4.113 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.661 -3.948 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.487 -3.527 6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.420 -1.935 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.831 -1.587 6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.530 -3.015 7.778 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.901 -0.997 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -8.468 -1.946 8.720 1.00 0.00 H new ATOM 0 HE ARG A 192 -9.033 0.132 6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -8.746 1.509 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -7.005 1.800 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -6.278 -0.489 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -5.620 0.679 8.039 1.00 0.00 H new ATOM 787 N MET A 193 -9.899 -1.320 3.522 1.00 0.00 N ATOM 788 CA MET A 193 -10.511 -0.157 2.823 1.00 0.00 C ATOM 789 C MET A 193 -11.481 -0.656 1.750 1.00 0.00 C ATOM 790 O MET A 193 -12.467 -0.014 1.445 1.00 0.00 O ATOM 791 CB MET A 193 -9.411 0.679 2.168 1.00 0.00 C ATOM 792 CG MET A 193 -9.792 2.158 2.222 1.00 0.00 C ATOM 793 SD MET A 193 -9.199 2.879 3.772 1.00 0.00 S ATOM 794 CE MET A 193 -7.518 3.257 3.216 1.00 0.00 C ATOM 0 H MET A 193 -8.910 -1.473 3.324 1.00 0.00 H new ATOM 0 HA MET A 193 -11.053 0.455 3.544 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.463 0.518 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.270 0.367 1.133 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.359 2.687 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.874 2.269 2.148 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.061 3.973 3.899 1.00 0.00 H new ATOM 0 HE2 MET A 193 -6.926 2.342 3.200 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.554 3.684 2.214 1.00 0.00 H new ATOM 804 N ARG A 194 -11.214 -1.797 1.175 1.00 0.00 N ATOM 805 CA ARG A 194 -12.130 -2.332 0.128 1.00 0.00 C ATOM 806 C ARG A 194 -13.172 -3.234 0.789 1.00 0.00 C ATOM 807 O ARG A 194 -14.160 -3.604 0.186 1.00 0.00 O ATOM 808 CB ARG A 194 -11.327 -3.138 -0.897 1.00 0.00 C ATOM 809 CG ARG A 194 -11.021 -2.261 -2.111 1.00 0.00 C ATOM 810 CD ARG A 194 -9.771 -1.421 -1.836 1.00 0.00 C ATOM 811 NE ARG A 194 -9.859 -0.141 -2.593 1.00 0.00 N ATOM 812 CZ ARG A 194 -8.844 0.679 -2.608 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.545 1.366 -1.540 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.132 0.814 -3.693 1.00 0.00 N ATOM 0 H ARG A 194 -10.404 -2.380 1.384 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.628 -1.506 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.399 -3.494 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.891 -4.019 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.866 -2.884 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -11.869 -1.610 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.682 -1.220 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -8.878 -1.971 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 194 -10.712 0.094 -3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -9.105 1.262 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.752 2.007 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.369 0.279 -4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.338 1.455 -3.706 1.00 0.00 H new ATOM 828 N GLY A 195 -12.958 -3.589 2.026 1.00 0.00 N ATOM 829 CA GLY A 195 -13.935 -4.465 2.731 1.00 0.00 C ATOM 830 C GLY A 195 -14.019 -5.820 2.025 1.00 0.00 C ATOM 831 O GLY A 195 -14.914 -6.067 1.241 1.00 0.00 O ATOM 0 H GLY A 195 -12.148 -3.310 2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.631 -4.603 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.917 -3.991 2.747 1.00 0.00 H new ATOM 835 N SER A 196 -13.097 -6.702 2.299 1.00 0.00 N ATOM 836 CA SER A 196 -13.130 -8.042 1.647 1.00 0.00 C ATOM 837 C SER A 196 -13.015 -7.880 0.129 1.00 0.00 C ATOM 838 O SER A 196 -13.457 -6.900 -0.436 1.00 0.00 O ATOM 839 CB SER A 196 -14.451 -8.736 1.984 1.00 0.00 C ATOM 840 OG SER A 196 -14.326 -9.403 3.234 1.00 0.00 O ATOM 0 H SER A 196 -12.323 -6.553 2.946 1.00 0.00 H new ATOM 0 HA SER A 196 -12.296 -8.642 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.258 -8.005 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.710 -9.450 1.202 1.00 0.00 H new ATOM 0 HG SER A 196 -15.171 -9.847 3.454 1.00 0.00 H new ATOM 846 N ARG A 197 -12.426 -8.838 -0.537 1.00 0.00 N ATOM 847 CA ARG A 197 -12.286 -8.742 -2.017 1.00 0.00 C ATOM 848 C ARG A 197 -11.439 -7.519 -2.375 1.00 0.00 C ATOM 849 O ARG A 197 -11.777 -6.400 -2.042 1.00 0.00 O ATOM 850 CB ARG A 197 -13.670 -8.605 -2.654 1.00 0.00 C ATOM 851 CG ARG A 197 -14.235 -9.995 -2.958 1.00 0.00 C ATOM 852 CD ARG A 197 -15.525 -10.204 -2.162 1.00 0.00 C ATOM 853 NE ARG A 197 -16.490 -10.999 -2.975 1.00 0.00 N ATOM 854 CZ ARG A 197 -17.230 -11.910 -2.404 1.00 0.00 C ATOM 855 NH1 ARG A 197 -16.717 -13.071 -2.099 1.00 0.00 N ATOM 856 NH2 ARG A 197 -18.483 -11.660 -2.139 1.00 0.00 N ATOM 0 H ARG A 197 -12.036 -9.683 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.800 -9.643 -2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.339 -8.068 -1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.603 -8.020 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -14.433 -10.094 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -13.505 -10.761 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.308 -10.722 -1.228 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -15.962 -9.241 -1.899 1.00 0.00 H new ATOM 0 HE ARG A 197 -16.572 -10.831 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -15.738 -13.266 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -17.295 -13.783 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -18.884 -10.753 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -19.062 -12.372 -1.693 1.00 0.00 H new ATOM 870 N ALA A 198 -10.342 -7.721 -3.052 1.00 0.00 N ATOM 871 CA ALA A 198 -9.477 -6.569 -3.431 1.00 0.00 C ATOM 872 C ALA A 198 -8.185 -7.090 -4.065 1.00 0.00 C ATOM 873 O ALA A 198 -7.751 -8.192 -3.797 1.00 0.00 O ATOM 874 CB ALA A 198 -9.142 -5.757 -2.179 1.00 0.00 C ATOM 0 H ALA A 198 -10.008 -8.634 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.001 -5.936 -4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.509 -4.913 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.063 -5.389 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.615 -6.390 -1.465 1.00 0.00 H new ATOM 880 N LEU A 199 -7.568 -6.306 -4.908 1.00 0.00 N ATOM 881 CA LEU A 199 -6.306 -6.759 -5.561 1.00 0.00 C ATOM 882 C LEU A 199 -5.102 -6.181 -4.812 1.00 0.00 C ATOM 883 O LEU A 199 -4.931 -4.981 -4.724 1.00 0.00 O ATOM 884 CB LEU A 199 -6.284 -6.273 -7.012 1.00 0.00 C ATOM 885 CG LEU A 199 -5.809 -7.406 -7.924 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.017 -8.052 -8.607 1.00 0.00 C ATOM 887 CD2 LEU A 199 -4.866 -6.841 -8.989 1.00 0.00 C ATOM 0 H LEU A 199 -7.883 -5.373 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.256 -7.848 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.279 -5.944 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.622 -5.413 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 199 -5.283 -8.154 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -6.679 -8.859 -9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.691 -8.453 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.542 -7.304 -9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -4.527 -7.647 -9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.393 -6.094 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.006 -6.379 -8.505 1.00 0.00 H new ATOM 899 N LEU A 200 -4.266 -7.025 -4.268 1.00 0.00 N ATOM 900 CA LEU A 200 -3.073 -6.522 -3.524 1.00 0.00 C ATOM 901 C LEU A 200 -1.815 -7.205 -4.060 1.00 0.00 C ATOM 902 O LEU A 200 -1.869 -7.996 -4.981 1.00 0.00 O ATOM 903 CB LEU A 200 -3.205 -6.830 -2.023 1.00 0.00 C ATOM 904 CG LEU A 200 -4.546 -7.507 -1.725 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.464 -8.232 -0.381 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.644 -6.444 -1.664 1.00 0.00 C ATOM 0 H LEU A 200 -4.357 -8.040 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.005 -5.443 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.387 -7.477 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.122 -5.907 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.775 -8.227 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.418 -8.714 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.678 -8.986 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.237 -7.514 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.601 -6.921 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.413 -5.727 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.701 -5.925 -2.621 1.00 0.00 H new ATOM 918 N ASN A 201 -0.682 -6.916 -3.481 1.00 0.00 N ATOM 919 CA ASN A 201 0.576 -7.565 -3.950 1.00 0.00 C ATOM 920 C ASN A 201 0.560 -9.023 -3.495 1.00 0.00 C ATOM 921 O ASN A 201 1.044 -9.906 -4.174 1.00 0.00 O ATOM 922 CB ASN A 201 1.803 -6.866 -3.345 1.00 0.00 C ATOM 923 CG ASN A 201 1.452 -5.438 -2.927 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.439 -5.137 -1.661 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 1.188 -4.592 -3.759 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.572 -6.261 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 201 0.636 -7.496 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.160 -7.427 -2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.615 -6.850 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 201 1.199 -4.831 -4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.955 -3.643 -3.466 1.00 0.00 H new ATOM 932 N PHE A 202 -0.006 -9.273 -2.347 1.00 0.00 N ATOM 933 CA PHE A 202 -0.074 -10.665 -1.825 1.00 0.00 C ATOM 934 C PHE A 202 -1.522 -10.975 -1.436 1.00 0.00 C ATOM 935 O PHE A 202 -1.864 -10.970 -0.271 1.00 0.00 O ATOM 936 CB PHE A 202 0.824 -10.789 -0.590 1.00 0.00 C ATOM 937 CG PHE A 202 2.081 -9.977 -0.791 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.768 -10.043 -2.008 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.563 -9.163 0.243 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.935 -9.294 -2.195 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.732 -8.413 0.056 1.00 0.00 C ATOM 942 CZ PHE A 202 4.418 -8.478 -1.163 1.00 0.00 C ATOM 0 H PHE A 202 -0.427 -8.566 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 202 0.264 -11.366 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.292 -10.440 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.079 -11.835 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.397 -10.672 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.034 -9.114 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.464 -9.345 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.104 -7.785 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.319 -7.900 -1.308 1.00 0.00 H new ATOM 952 N PRO A 203 -2.335 -11.225 -2.432 1.00 0.00 N ATOM 953 CA PRO A 203 -3.764 -11.529 -2.237 1.00 0.00 C ATOM 954 C PRO A 203 -3.948 -12.967 -1.741 1.00 0.00 C ATOM 955 O PRO A 203 -4.403 -13.828 -2.467 1.00 0.00 O ATOM 956 CB PRO A 203 -4.362 -11.352 -3.636 1.00 0.00 C ATOM 957 CG PRO A 203 -3.192 -11.515 -4.634 1.00 0.00 C ATOM 958 CD PRO A 203 -1.901 -11.233 -3.845 1.00 0.00 C ATOM 0 HA PRO A 203 -4.238 -10.892 -1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.139 -12.094 -3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.826 -10.371 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.178 -12.521 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.295 -10.822 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.148 -12.000 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.459 -10.279 -4.132 1.00 0.00 H new