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= -0.38 K(o=-0.38,f=-2.7!) USER MOD Single : A 156 LYS NZ :NH3+ -142:sc= -0.17 (180deg=-1.14) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.71) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -170:sc= -2.07! USER MOD Single : A 186 TYR OH : rot 180:sc= 0.00288 USER MOD Single : A 193 MET CE :methyl 175:sc= -4.03! (180deg=-4.12!) USER MOD Single : A 196 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 201 ASN :FLIP amide:sc= -5.11! C(o=-10!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.468 -3.345 -6.544 1.00 0.00 N ATOM 41 CA TYR A 146 4.090 -3.444 -5.991 1.00 0.00 C ATOM 42 C TYR A 146 3.360 -2.120 -6.212 1.00 0.00 C ATOM 43 O TYR A 146 3.936 -1.057 -6.090 1.00 0.00 O ATOM 44 CB TYR A 146 4.159 -3.730 -4.492 1.00 0.00 C ATOM 45 CG TYR A 146 5.028 -4.933 -4.236 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.837 -6.107 -4.976 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.014 -4.882 -3.244 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.632 -7.230 -4.722 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.810 -6.003 -2.990 1.00 0.00 C ATOM 50 CZ TYR A 146 6.619 -7.180 -3.728 1.00 0.00 C ATOM 51 OH TYR A 146 7.402 -8.288 -3.477 1.00 0.00 O ATOM 0 HA TYR A 146 3.556 -4.251 -6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.560 -2.863 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.157 -3.905 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.077 -6.145 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.160 -3.976 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.485 -8.136 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.572 -5.962 -2.226 1.00 0.00 H new ATOM 0 HH TYR A 146 8.037 -8.084 -2.759 1.00 0.00 H new ATOM 61 N ARG A 147 2.097 -2.171 -6.527 1.00 0.00 N ATOM 62 CA ARG A 147 1.341 -0.907 -6.744 1.00 0.00 C ATOM 63 C ARG A 147 1.053 -0.254 -5.389 1.00 0.00 C ATOM 64 O ARG A 147 0.538 -0.880 -4.483 1.00 0.00 O ATOM 65 CB ARG A 147 0.034 -1.209 -7.475 1.00 0.00 C ATOM 66 CG ARG A 147 -0.970 -1.804 -6.498 1.00 0.00 C ATOM 67 CD ARG A 147 -2.150 -2.386 -7.276 1.00 0.00 C ATOM 68 NE ARG A 147 -3.428 -1.898 -6.688 1.00 0.00 N ATOM 69 CZ ARG A 147 -4.565 -2.382 -7.106 1.00 0.00 C ATOM 70 NH1 ARG A 147 -4.786 -3.668 -7.054 1.00 0.00 N ATOM 71 NH2 ARG A 147 -5.481 -1.581 -7.579 1.00 0.00 N ATOM 0 H ARG A 147 1.557 -3.029 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 147 1.932 -0.223 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.368 -0.296 -7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.216 -1.904 -8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.495 -2.582 -5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.319 -1.038 -5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.086 -2.095 -8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.117 -3.475 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.414 -1.185 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -4.070 -4.294 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.675 -4.046 -7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -5.308 -0.577 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -6.370 -1.959 -7.906 1.00 0.00 H new ATOM 85 N GLY A 148 1.392 0.995 -5.243 1.00 0.00 N ATOM 86 CA GLY A 148 1.149 1.688 -3.946 1.00 0.00 C ATOM 87 C GLY A 148 2.447 1.716 -3.135 1.00 0.00 C ATOM 88 O GLY A 148 2.615 2.525 -2.243 1.00 0.00 O ATOM 0 H GLY A 148 1.828 1.568 -5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.796 2.704 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.368 1.173 -3.386 1.00 0.00 H new ATOM 92 N VAL A 149 3.367 0.838 -3.436 1.00 0.00 N ATOM 93 CA VAL A 149 4.655 0.814 -2.681 1.00 0.00 C ATOM 94 C VAL A 149 5.703 1.644 -3.425 1.00 0.00 C ATOM 95 O VAL A 149 6.208 1.244 -4.456 1.00 0.00 O ATOM 96 CB VAL A 149 5.158 -0.628 -2.559 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.532 -0.634 -1.890 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.182 -1.444 -1.711 1.00 0.00 C ATOM 0 H VAL A 149 3.283 0.137 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 149 4.491 1.231 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 149 5.232 -1.068 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.890 -1.660 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.232 -0.055 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.455 -0.191 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.543 -2.469 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.106 -1.003 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.200 -1.443 -2.184 1.00 0.00 H new ATOM 108 N ARG A 150 6.048 2.792 -2.907 1.00 0.00 N ATOM 109 CA ARG A 150 7.074 3.634 -3.581 1.00 0.00 C ATOM 110 C ARG A 150 8.461 3.080 -3.249 1.00 0.00 C ATOM 111 O ARG A 150 8.683 2.538 -2.184 1.00 0.00 O ATOM 112 CB ARG A 150 6.966 5.079 -3.087 1.00 0.00 C ATOM 113 CG ARG A 150 7.459 6.030 -4.180 1.00 0.00 C ATOM 114 CD ARG A 150 6.271 6.503 -5.020 1.00 0.00 C ATOM 115 NE ARG A 150 6.764 7.329 -6.158 1.00 0.00 N ATOM 116 CZ ARG A 150 7.589 8.317 -5.940 1.00 0.00 C ATOM 117 NH1 ARG A 150 8.877 8.102 -5.931 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.127 9.519 -5.733 1.00 0.00 N ATOM 0 H ARG A 150 5.663 3.182 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 150 6.915 3.616 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.933 5.310 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.558 5.210 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 150 7.964 6.885 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 150 8.188 5.525 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.712 5.645 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 150 5.586 7.085 -4.404 1.00 0.00 H new ATOM 0 HE ARG A 150 6.457 7.122 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 150 9.238 7.162 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 150 9.522 8.874 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 150 6.121 9.687 -5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 150 7.772 10.291 -5.563 1.00 0.00 H new ATOM 132 N GLN A 151 9.392 3.199 -4.152 1.00 0.00 N ATOM 133 CA GLN A 151 10.757 2.665 -3.883 1.00 0.00 C ATOM 134 C GLN A 151 11.783 3.799 -3.952 1.00 0.00 C ATOM 135 O GLN A 151 11.708 4.672 -4.794 1.00 0.00 O ATOM 136 CB GLN A 151 11.097 1.600 -4.926 1.00 0.00 C ATOM 137 CG GLN A 151 10.979 2.199 -6.330 1.00 0.00 C ATOM 138 CD GLN A 151 12.377 2.428 -6.909 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.358 2.387 -6.194 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.509 2.668 -8.186 1.00 0.00 N ATOM 0 H GLN A 151 9.269 3.641 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 151 10.783 2.223 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.108 1.227 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.423 0.749 -4.825 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.412 1.529 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.432 3.141 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 151 11.685 2.702 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.436 2.821 -8.583 1.00 0.00 H new ATOM 149 N ARG A 152 12.743 3.787 -3.069 1.00 0.00 N ATOM 150 CA ARG A 152 13.779 4.858 -3.075 1.00 0.00 C ATOM 151 C ARG A 152 15.145 4.240 -3.387 1.00 0.00 C ATOM 152 O ARG A 152 15.282 3.033 -3.429 1.00 0.00 O ATOM 153 CB ARG A 152 13.826 5.528 -1.700 1.00 0.00 C ATOM 154 CG ARG A 152 13.150 6.898 -1.775 1.00 0.00 C ATOM 155 CD ARG A 152 11.719 6.792 -1.246 1.00 0.00 C ATOM 156 NE ARG A 152 11.746 6.631 0.234 1.00 0.00 N ATOM 157 CZ ARG A 152 10.732 7.031 0.952 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.216 8.212 0.751 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.235 6.250 1.872 1.00 0.00 N ATOM 0 H ARG A 152 12.855 3.080 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 152 13.532 5.601 -3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.323 4.903 -0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.860 5.639 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.712 7.625 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 152 13.143 7.256 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.154 7.684 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.212 5.943 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 152 12.557 6.208 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.605 8.823 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.424 8.525 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.639 5.327 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 152 9.443 6.563 2.433 1.00 0.00 H new ATOM 173 N PRO A 153 16.118 5.089 -3.596 1.00 0.00 N ATOM 174 CA PRO A 153 17.492 4.661 -3.907 1.00 0.00 C ATOM 175 C PRO A 153 18.214 4.207 -2.634 1.00 0.00 C ATOM 176 O PRO A 153 19.005 3.285 -2.653 1.00 0.00 O ATOM 177 CB PRO A 153 18.140 5.924 -4.482 1.00 0.00 C ATOM 178 CG PRO A 153 17.310 7.119 -3.953 1.00 0.00 C ATOM 179 CD PRO A 153 15.937 6.555 -3.543 1.00 0.00 C ATOM 0 HA PRO A 153 17.532 3.816 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 153 19.181 6.004 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.137 5.901 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.805 7.589 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.201 7.885 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.653 6.886 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.152 6.884 -4.223 1.00 0.00 H new ATOM 187 N TRP A 154 17.951 4.850 -1.530 1.00 0.00 N ATOM 188 CA TRP A 154 18.625 4.457 -0.260 1.00 0.00 C ATOM 189 C TRP A 154 18.213 3.033 0.118 1.00 0.00 C ATOM 190 O TRP A 154 18.900 2.354 0.855 1.00 0.00 O ATOM 191 CB TRP A 154 18.221 5.423 0.854 1.00 0.00 C ATOM 192 CG TRP A 154 19.044 6.667 0.748 1.00 0.00 C ATOM 193 CD1 TRP A 154 18.848 7.654 -0.155 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.190 7.071 1.553 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.798 8.639 0.043 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.648 8.326 1.084 1.00 0.00 C ATOM 197 CE3 TRP A 154 20.871 6.476 2.634 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.742 8.968 1.666 1.00 0.00 C ATOM 199 CZ3 TRP A 154 21.973 7.121 3.222 1.00 0.00 C ATOM 200 CH2 TRP A 154 22.406 8.364 2.739 1.00 0.00 C ATOM 0 H TRP A 154 17.299 5.630 -1.452 1.00 0.00 H new ATOM 0 HA TRP A 154 19.706 4.496 -0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.161 5.666 0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.369 4.956 1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.075 7.670 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 154 19.863 9.492 -0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.544 5.519 3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.074 9.925 1.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 22.489 6.657 4.050 1.00 0.00 H new ATOM 0 HH2 TRP A 154 23.252 8.855 3.196 1.00 0.00 H new ATOM 211 N GLY A 155 17.100 2.573 -0.386 1.00 0.00 N ATOM 212 CA GLY A 155 16.651 1.190 -0.058 1.00 0.00 C ATOM 213 C GLY A 155 15.384 1.245 0.797 1.00 0.00 C ATOM 214 O GLY A 155 15.016 0.282 1.438 1.00 0.00 O ATOM 0 H GLY A 155 16.483 3.094 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.458 0.634 -0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.439 0.659 0.477 1.00 0.00 H new ATOM 218 N LYS A 156 14.712 2.362 0.809 1.00 0.00 N ATOM 219 CA LYS A 156 13.468 2.472 1.623 1.00 0.00 C ATOM 220 C LYS A 156 12.248 2.357 0.707 1.00 0.00 C ATOM 221 O LYS A 156 12.370 2.308 -0.500 1.00 0.00 O ATOM 222 CB LYS A 156 13.442 3.825 2.338 1.00 0.00 C ATOM 223 CG LYS A 156 14.764 4.043 3.077 1.00 0.00 C ATOM 224 CD LYS A 156 14.512 4.860 4.346 1.00 0.00 C ATOM 225 CE LYS A 156 15.073 4.111 5.557 1.00 0.00 C ATOM 226 NZ LYS A 156 14.448 2.760 5.639 1.00 0.00 N ATOM 0 H LYS A 156 14.969 3.203 0.292 1.00 0.00 H new ATOM 0 HA LYS A 156 13.446 1.671 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.281 4.626 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.611 3.859 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.212 3.083 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.472 4.563 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.984 5.839 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.443 5.031 4.474 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.156 4.018 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.873 4.672 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 14.275 2.517 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 13.546 2.763 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.086 2.056 5.217 1.00 0.00 H new ATOM 240 N PHE A 157 11.073 2.319 1.271 1.00 0.00 N ATOM 241 CA PHE A 157 9.843 2.215 0.435 1.00 0.00 C ATOM 242 C PHE A 157 8.705 2.962 1.129 1.00 0.00 C ATOM 243 O PHE A 157 8.903 3.623 2.129 1.00 0.00 O ATOM 244 CB PHE A 157 9.454 0.744 0.263 1.00 0.00 C ATOM 245 CG PHE A 157 10.393 0.080 -0.715 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.660 -0.337 -0.292 1.00 0.00 C ATOM 247 CD2 PHE A 157 9.996 -0.122 -2.046 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.533 -0.956 -1.195 1.00 0.00 C ATOM 249 CE2 PHE A 157 10.869 -0.741 -2.949 1.00 0.00 C ATOM 250 CZ PHE A 157 12.138 -1.158 -2.524 1.00 0.00 C ATOM 0 H PHE A 157 10.910 2.356 2.277 1.00 0.00 H new ATOM 0 HA PHE A 157 10.032 2.652 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.494 0.233 1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.427 0.669 -0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.965 -0.181 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.018 0.200 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.510 -1.278 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.564 -0.897 -3.973 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.811 -1.635 -3.221 1.00 0.00 H new ATOM 260 N ALA A 158 7.513 2.859 0.613 1.00 0.00 N ATOM 261 CA ALA A 158 6.368 3.562 1.254 1.00 0.00 C ATOM 262 C ALA A 158 5.062 2.876 0.864 1.00 0.00 C ATOM 263 O ALA A 158 4.626 2.940 -0.267 1.00 0.00 O ATOM 264 CB ALA A 158 6.336 5.021 0.793 1.00 0.00 C ATOM 0 H ALA A 158 7.282 2.320 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 158 6.486 3.527 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.497 5.533 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.267 5.513 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.222 5.058 -0.290 1.00 0.00 H new ATOM 270 N ALA A 159 4.428 2.222 1.796 1.00 0.00 N ATOM 271 CA ALA A 159 3.147 1.539 1.478 1.00 0.00 C ATOM 272 C ALA A 159 2.022 2.574 1.471 1.00 0.00 C ATOM 273 O ALA A 159 1.789 3.256 2.447 1.00 0.00 O ATOM 274 CB ALA A 159 2.861 0.472 2.535 1.00 0.00 C ATOM 0 H ALA A 159 4.742 2.132 2.762 1.00 0.00 H new ATOM 0 HA ALA A 159 3.213 1.063 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.921 -0.029 2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.670 -0.259 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.788 0.942 3.516 1.00 0.00 H new ATOM 280 N GLU A 160 1.330 2.703 0.374 1.00 0.00 N ATOM 281 CA GLU A 160 0.227 3.702 0.302 1.00 0.00 C ATOM 282 C GLU A 160 -0.924 3.128 -0.525 1.00 0.00 C ATOM 283 O GLU A 160 -0.725 2.312 -1.402 1.00 0.00 O ATOM 284 CB GLU A 160 0.746 4.982 -0.357 1.00 0.00 C ATOM 285 CG GLU A 160 -0.210 6.139 -0.060 1.00 0.00 C ATOM 286 CD GLU A 160 -0.502 6.901 -1.354 1.00 0.00 C ATOM 287 OE1 GLU A 160 -1.438 6.525 -2.040 1.00 0.00 O ATOM 288 OE2 GLU A 160 0.216 7.846 -1.638 1.00 0.00 O ATOM 0 H GLU A 160 1.480 2.160 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.129 3.930 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.743 5.216 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.835 4.838 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -1.137 5.758 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.231 6.809 0.678 1.00 0.00 H new ATOM 295 N ILE A 161 -2.130 3.546 -0.251 1.00 0.00 N ATOM 296 CA ILE A 161 -3.292 3.021 -1.020 1.00 0.00 C ATOM 297 C ILE A 161 -4.240 4.171 -1.360 1.00 0.00 C ATOM 298 O ILE A 161 -4.643 4.930 -0.501 1.00 0.00 O ATOM 299 CB ILE A 161 -4.033 1.984 -0.173 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.334 1.586 -0.876 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.355 2.586 1.195 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.075 0.544 -0.033 1.00 0.00 C ATOM 0 H ILE A 161 -2.360 4.228 0.472 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.940 2.557 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.407 1.101 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.963 2.464 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.116 1.181 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.883 1.850 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.429 2.870 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.983 3.467 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.001 0.262 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.446 -0.338 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.306 0.965 0.945 1.00 0.00 H new ATOM 314 N ARG A 162 -4.602 4.307 -2.607 1.00 0.00 N ATOM 315 CA ARG A 162 -5.528 5.406 -2.994 1.00 0.00 C ATOM 316 C ARG A 162 -6.940 5.068 -2.510 1.00 0.00 C ATOM 317 O ARG A 162 -7.525 4.084 -2.917 1.00 0.00 O ATOM 318 CB ARG A 162 -5.531 5.559 -4.515 1.00 0.00 C ATOM 319 CG ARG A 162 -6.162 4.320 -5.152 1.00 0.00 C ATOM 320 CD ARG A 162 -5.590 4.119 -6.554 1.00 0.00 C ATOM 321 NE ARG A 162 -6.682 3.713 -7.482 1.00 0.00 N ATOM 322 CZ ARG A 162 -6.425 3.517 -8.746 1.00 0.00 C ATOM 323 NH1 ARG A 162 -5.447 4.165 -9.319 1.00 0.00 N ATOM 324 NH2 ARG A 162 -7.145 2.677 -9.437 1.00 0.00 N ATOM 0 H ARG A 162 -4.297 3.705 -3.372 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.199 6.340 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -6.088 6.451 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.512 5.690 -4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -5.964 3.442 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.245 4.436 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.125 5.040 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.812 3.356 -6.535 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.631 3.588 -7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.885 4.823 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.244 4.013 -10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -7.910 2.172 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.943 2.525 -10.425 1.00 0.00 H new ATOM 338 N ASP A 163 -7.489 5.872 -1.643 1.00 0.00 N ATOM 339 CA ASP A 163 -8.860 5.590 -1.133 1.00 0.00 C ATOM 340 C ASP A 163 -9.879 6.443 -1.898 1.00 0.00 C ATOM 341 O ASP A 163 -9.934 7.643 -1.718 1.00 0.00 O ATOM 342 CB ASP A 163 -8.925 5.938 0.357 1.00 0.00 C ATOM 343 CG ASP A 163 -10.195 5.338 0.963 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.866 4.596 0.266 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.474 5.631 2.115 1.00 0.00 O ATOM 0 H ASP A 163 -7.049 6.711 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.091 4.534 -1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.045 5.551 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.921 7.020 0.490 1.00 0.00 H new ATOM 350 N PRO A 164 -10.664 5.798 -2.729 1.00 0.00 N ATOM 351 CA PRO A 164 -11.695 6.480 -3.529 1.00 0.00 C ATOM 352 C PRO A 164 -12.911 6.801 -2.657 1.00 0.00 C ATOM 353 O PRO A 164 -13.662 7.716 -2.931 1.00 0.00 O ATOM 354 CB PRO A 164 -12.047 5.457 -4.612 1.00 0.00 C ATOM 355 CG PRO A 164 -11.633 4.074 -4.056 1.00 0.00 C ATOM 356 CD PRO A 164 -10.598 4.338 -2.947 1.00 0.00 C ATOM 0 HA PRO A 164 -11.361 7.430 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.113 5.482 -4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.519 5.677 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.497 3.541 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.207 3.452 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.840 3.788 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.599 4.026 -3.252 1.00 0.00 H new ATOM 364 N ALA A 165 -13.107 6.053 -1.605 1.00 0.00 N ATOM 365 CA ALA A 165 -14.266 6.312 -0.712 1.00 0.00 C ATOM 366 C ALA A 165 -13.993 7.565 0.122 1.00 0.00 C ATOM 367 O ALA A 165 -14.892 8.155 0.687 1.00 0.00 O ATOM 368 CB ALA A 165 -14.471 5.114 0.218 1.00 0.00 C ATOM 0 H ALA A 165 -12.512 5.273 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.163 6.462 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.321 5.303 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.663 4.221 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.575 4.963 0.820 1.00 0.00 H new ATOM 374 N LYS A 166 -12.757 7.973 0.205 1.00 0.00 N ATOM 375 CA LYS A 166 -12.423 9.186 1.002 1.00 0.00 C ATOM 376 C LYS A 166 -12.385 10.407 0.083 1.00 0.00 C ATOM 377 O LYS A 166 -11.702 11.376 0.347 1.00 0.00 O ATOM 378 CB LYS A 166 -11.054 9.001 1.661 1.00 0.00 C ATOM 379 CG LYS A 166 -11.205 8.147 2.920 1.00 0.00 C ATOM 380 CD LYS A 166 -11.726 9.015 4.067 1.00 0.00 C ATOM 381 CE LYS A 166 -10.549 9.509 4.912 1.00 0.00 C ATOM 382 NZ LYS A 166 -10.712 10.964 5.187 1.00 0.00 N ATOM 0 H LYS A 166 -11.963 7.518 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.181 9.335 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.365 8.523 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.627 9.971 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.893 7.323 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.245 7.706 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.283 9.863 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.416 8.442 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -10.502 8.954 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -9.610 9.330 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.913 11.300 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -10.737 11.487 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -11.600 11.122 5.704 1.00 0.00 H new ATOM 396 N ASN A 167 -13.118 10.370 -0.998 1.00 0.00 N ATOM 397 CA ASN A 167 -13.124 11.532 -1.931 1.00 0.00 C ATOM 398 C ASN A 167 -11.724 11.721 -2.521 1.00 0.00 C ATOM 399 O ASN A 167 -11.191 12.813 -2.543 1.00 0.00 O ATOM 400 CB ASN A 167 -13.531 12.794 -1.168 1.00 0.00 C ATOM 401 CG ASN A 167 -14.768 12.499 -0.317 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.626 11.737 -0.716 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.896 13.074 0.847 1.00 0.00 N ATOM 0 H ASN A 167 -13.711 9.587 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.835 11.348 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.711 13.128 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.742 13.603 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.717 12.884 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -14.176 13.714 1.182 1.00 0.00 H new ATOM 410 N GLY A 168 -11.125 10.665 -2.999 1.00 0.00 N ATOM 411 CA GLY A 168 -9.759 10.784 -3.587 1.00 0.00 C ATOM 412 C GLY A 168 -8.791 11.312 -2.527 1.00 0.00 C ATOM 413 O GLY A 168 -8.312 12.426 -2.608 1.00 0.00 O ATOM 0 H GLY A 168 -11.521 9.725 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.422 9.813 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.778 11.457 -4.445 1.00 0.00 H new ATOM 417 N ALA A 169 -8.498 10.519 -1.532 1.00 0.00 N ATOM 418 CA ALA A 169 -7.559 10.974 -0.466 1.00 0.00 C ATOM 419 C ALA A 169 -6.454 9.932 -0.284 1.00 0.00 C ATOM 420 O ALA A 169 -6.661 8.888 0.302 1.00 0.00 O ATOM 421 CB ALA A 169 -8.325 11.144 0.847 1.00 0.00 C ATOM 0 H ALA A 169 -8.868 9.576 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.115 11.927 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.640 11.476 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.113 11.886 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.769 10.191 1.135 1.00 0.00 H new ATOM 427 N ARG A 170 -5.281 10.206 -0.786 1.00 0.00 N ATOM 428 CA ARG A 170 -4.161 9.232 -0.648 1.00 0.00 C ATOM 429 C ARG A 170 -4.064 8.750 0.802 1.00 0.00 C ATOM 430 O ARG A 170 -4.376 9.469 1.729 1.00 0.00 O ATOM 431 CB ARG A 170 -2.846 9.909 -1.045 1.00 0.00 C ATOM 432 CG ARG A 170 -2.590 11.107 -0.128 1.00 0.00 C ATOM 433 CD ARG A 170 -2.798 12.405 -0.912 1.00 0.00 C ATOM 434 NE ARG A 170 -1.508 12.829 -1.525 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.487 13.790 -2.408 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.949 13.582 -3.611 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.007 14.961 -2.088 1.00 0.00 N ATOM 0 H ARG A 170 -5.049 11.064 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.348 8.378 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.022 9.199 -0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.892 10.236 -2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.265 11.074 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.574 11.066 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -3.550 12.257 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.172 13.186 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.640 12.367 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -2.327 12.668 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.932 14.333 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.648 15.125 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -0.991 15.712 -2.778 1.00 0.00 H new ATOM 451 N VAL A 171 -3.626 7.535 1.002 1.00 0.00 N ATOM 452 CA VAL A 171 -3.501 7.004 2.389 1.00 0.00 C ATOM 453 C VAL A 171 -2.086 6.457 2.590 1.00 0.00 C ATOM 454 O VAL A 171 -1.800 5.316 2.285 1.00 0.00 O ATOM 455 CB VAL A 171 -4.524 5.885 2.601 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.166 5.088 3.858 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.914 6.499 2.768 1.00 0.00 C ATOM 0 H VAL A 171 -3.350 6.888 0.264 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.689 7.801 3.108 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.516 5.219 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.897 4.293 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.174 4.652 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.172 5.751 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.646 5.706 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.916 7.165 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.172 7.065 1.873 1.00 0.00 H new ATOM 467 N TRP A 172 -1.198 7.267 3.095 1.00 0.00 N ATOM 468 CA TRP A 172 0.204 6.805 3.311 1.00 0.00 C ATOM 469 C TRP A 172 0.259 5.858 4.512 1.00 0.00 C ATOM 470 O TRP A 172 0.324 6.285 5.648 1.00 0.00 O ATOM 471 CB TRP A 172 1.100 8.015 3.575 1.00 0.00 C ATOM 472 CG TRP A 172 2.525 7.572 3.659 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.050 6.845 4.671 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.613 7.811 2.720 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.390 6.622 4.413 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.783 7.196 3.224 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.698 8.494 1.491 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.994 7.254 2.538 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.919 8.557 0.795 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.065 7.938 1.319 1.00 0.00 C ATOM 0 H TRP A 172 -1.382 8.232 3.369 1.00 0.00 H new ATOM 0 HA TRP A 172 0.551 6.278 2.423 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.983 8.749 2.777 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.805 8.504 4.503 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.511 6.496 5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.012 6.097 5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.821 8.972 1.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.872 6.774 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.975 9.084 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.001 7.990 0.782 1.00 0.00 H new ATOM 491 N LEU A 173 0.241 4.576 4.270 1.00 0.00 N ATOM 492 CA LEU A 173 0.299 3.603 5.397 1.00 0.00 C ATOM 493 C LEU A 173 1.576 3.838 6.210 1.00 0.00 C ATOM 494 O LEU A 173 1.576 3.742 7.421 1.00 0.00 O ATOM 495 CB LEU A 173 0.299 2.175 4.845 1.00 0.00 C ATOM 496 CG LEU A 173 -1.118 1.793 4.418 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.090 1.236 2.992 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.665 0.728 5.370 1.00 0.00 C ATOM 0 H LEU A 173 0.189 4.160 3.340 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.571 3.741 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.978 2.102 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.661 1.481 5.603 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.758 2.675 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.101 0.964 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.698 1.994 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.451 0.354 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.676 0.454 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.025 -0.153 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.685 1.123 6.386 1.00 0.00 H new ATOM 510 N GLY A 174 2.664 4.149 5.555 1.00 0.00 N ATOM 511 CA GLY A 174 3.936 4.393 6.298 1.00 0.00 C ATOM 512 C GLY A 174 5.123 3.857 5.494 1.00 0.00 C ATOM 513 O GLY A 174 4.979 2.993 4.652 1.00 0.00 O ATOM 0 H GLY A 174 2.727 4.244 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.062 5.460 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.897 3.906 7.272 1.00 0.00 H new ATOM 517 N THR A 175 6.297 4.373 5.747 1.00 0.00 N ATOM 518 CA THR A 175 7.498 3.906 5.001 1.00 0.00 C ATOM 519 C THR A 175 7.905 2.517 5.493 1.00 0.00 C ATOM 520 O THR A 175 7.607 2.128 6.604 1.00 0.00 O ATOM 521 CB THR A 175 8.652 4.884 5.228 1.00 0.00 C ATOM 522 OG1 THR A 175 9.268 4.608 6.479 1.00 0.00 O ATOM 523 CG2 THR A 175 8.115 6.316 5.225 1.00 0.00 C ATOM 0 H THR A 175 6.474 5.100 6.440 1.00 0.00 H new ATOM 0 HA THR A 175 7.264 3.857 3.938 1.00 0.00 H new ATOM 0 HB THR A 175 9.387 4.772 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.008 5.233 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.937 7.013 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.645 6.526 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.380 6.431 6.022 1.00 0.00 H new ATOM 531 N PHE A 176 8.585 1.768 4.671 1.00 0.00 N ATOM 532 CA PHE A 176 9.014 0.404 5.084 1.00 0.00 C ATOM 533 C PHE A 176 10.501 0.225 4.769 1.00 0.00 C ATOM 534 O PHE A 176 11.121 1.077 4.164 1.00 0.00 O ATOM 535 CB PHE A 176 8.193 -0.635 4.319 1.00 0.00 C ATOM 536 CG PHE A 176 6.808 -0.702 4.915 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.833 0.225 4.522 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.499 -1.681 5.866 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.550 0.170 5.080 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.217 -1.736 6.426 1.00 0.00 C ATOM 541 CZ PHE A 176 4.241 -0.809 6.033 1.00 0.00 C ATOM 0 H PHE A 176 8.863 2.043 3.729 1.00 0.00 H new ATOM 0 HA PHE A 176 8.855 0.273 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.136 -0.368 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.675 -1.611 4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.071 0.982 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.251 -2.395 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.798 0.883 4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.980 -2.492 7.160 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.252 -0.850 6.465 1.00 0.00 H new ATOM 551 N GLU A 177 11.083 -0.872 5.174 1.00 0.00 N ATOM 552 CA GLU A 177 12.533 -1.090 4.893 1.00 0.00 C ATOM 553 C GLU A 177 12.702 -1.704 3.503 1.00 0.00 C ATOM 554 O GLU A 177 13.772 -1.675 2.929 1.00 0.00 O ATOM 555 CB GLU A 177 13.122 -2.037 5.939 1.00 0.00 C ATOM 556 CG GLU A 177 14.650 -1.996 5.861 1.00 0.00 C ATOM 557 CD GLU A 177 15.213 -1.446 7.172 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.359 -0.239 7.271 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.485 -2.241 8.056 1.00 0.00 O ATOM 0 H GLU A 177 10.620 -1.624 5.685 1.00 0.00 H new ATOM 0 HA GLU A 177 13.053 -0.133 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.790 -1.747 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.765 -3.053 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 177 15.042 -2.996 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.965 -1.370 5.026 1.00 0.00 H new ATOM 566 N THR A 178 11.659 -2.264 2.958 1.00 0.00 N ATOM 567 CA THR A 178 11.773 -2.881 1.608 1.00 0.00 C ATOM 568 C THR A 178 10.419 -2.821 0.901 1.00 0.00 C ATOM 569 O THR A 178 9.421 -2.434 1.476 1.00 0.00 O ATOM 570 CB THR A 178 12.210 -4.339 1.753 1.00 0.00 C ATOM 571 OG1 THR A 178 11.077 -5.144 2.047 1.00 0.00 O ATOM 572 CG2 THR A 178 13.230 -4.457 2.886 1.00 0.00 C ATOM 0 H THR A 178 10.735 -2.321 3.387 1.00 0.00 H new ATOM 0 HA THR A 178 12.511 -2.336 1.020 1.00 0.00 H new ATOM 0 HB THR A 178 12.664 -4.677 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.372 -6.045 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.541 -5.497 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.099 -3.839 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.778 -4.120 3.819 1.00 0.00 H new ATOM 580 N ALA A 179 10.377 -3.200 -0.348 1.00 0.00 N ATOM 581 CA ALA A 179 9.089 -3.163 -1.092 1.00 0.00 C ATOM 582 C ALA A 179 8.202 -4.321 -0.640 1.00 0.00 C ATOM 583 O ALA A 179 6.997 -4.263 -0.744 1.00 0.00 O ATOM 584 CB ALA A 179 9.360 -3.289 -2.591 1.00 0.00 C ATOM 0 H ALA A 179 11.179 -3.533 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 179 8.585 -2.218 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.416 -3.262 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.991 -2.462 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.867 -4.233 -2.791 1.00 0.00 H new ATOM 590 N GLU A 180 8.788 -5.376 -0.141 1.00 0.00 N ATOM 591 CA GLU A 180 7.970 -6.538 0.315 1.00 0.00 C ATOM 592 C GLU A 180 7.270 -6.182 1.627 1.00 0.00 C ATOM 593 O GLU A 180 6.161 -6.604 1.885 1.00 0.00 O ATOM 594 CB GLU A 180 8.879 -7.749 0.533 1.00 0.00 C ATOM 595 CG GLU A 180 8.030 -9.018 0.628 1.00 0.00 C ATOM 596 CD GLU A 180 8.868 -10.227 0.206 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.896 -10.021 -0.419 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.467 -11.337 0.514 1.00 0.00 O ATOM 0 H GLU A 180 9.796 -5.484 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 180 7.224 -6.778 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.590 -7.836 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.461 -7.620 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.669 -9.151 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.152 -8.930 -0.012 1.00 0.00 H new ATOM 605 N ASP A 181 7.912 -5.410 2.457 1.00 0.00 N ATOM 606 CA ASP A 181 7.286 -5.026 3.751 1.00 0.00 C ATOM 607 C ASP A 181 6.248 -3.930 3.504 1.00 0.00 C ATOM 608 O ASP A 181 5.229 -3.867 4.163 1.00 0.00 O ATOM 609 CB ASP A 181 8.361 -4.504 4.709 1.00 0.00 C ATOM 610 CG ASP A 181 9.715 -5.131 4.372 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.731 -6.288 3.985 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.714 -4.444 4.509 1.00 0.00 O ATOM 0 H ASP A 181 8.844 -5.028 2.295 1.00 0.00 H new ATOM 0 HA ASP A 181 6.802 -5.897 4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.426 -3.418 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.088 -4.740 5.738 1.00 0.00 H new ATOM 617 N ALA A 182 6.496 -3.067 2.556 1.00 0.00 N ATOM 618 CA ALA A 182 5.521 -1.980 2.267 1.00 0.00 C ATOM 619 C ALA A 182 4.365 -2.544 1.440 1.00 0.00 C ATOM 620 O ALA A 182 3.256 -2.051 1.488 1.00 0.00 O ATOM 621 CB ALA A 182 6.215 -0.862 1.485 1.00 0.00 C ATOM 0 H ALA A 182 7.331 -3.069 1.970 1.00 0.00 H new ATOM 0 HA ALA A 182 5.136 -1.577 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.500 -0.067 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.039 -0.462 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.602 -1.260 0.547 1.00 0.00 H new ATOM 627 N ALA A 183 4.610 -3.583 0.688 1.00 0.00 N ATOM 628 CA ALA A 183 3.520 -4.183 -0.128 1.00 0.00 C ATOM 629 C ALA A 183 2.618 -5.004 0.789 1.00 0.00 C ATOM 630 O ALA A 183 1.412 -5.021 0.641 1.00 0.00 O ATOM 631 CB ALA A 183 4.117 -5.089 -1.207 1.00 0.00 C ATOM 0 H ALA A 183 5.518 -4.041 0.605 1.00 0.00 H new ATOM 0 HA ALA A 183 2.943 -3.394 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.314 -5.525 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.770 -4.503 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.693 -5.885 -0.736 1.00 0.00 H new ATOM 637 N LEU A 184 3.197 -5.672 1.751 1.00 0.00 N ATOM 638 CA LEU A 184 2.380 -6.480 2.695 1.00 0.00 C ATOM 639 C LEU A 184 1.447 -5.543 3.459 1.00 0.00 C ATOM 640 O LEU A 184 0.273 -5.814 3.633 1.00 0.00 O ATOM 641 CB LEU A 184 3.304 -7.199 3.678 1.00 0.00 C ATOM 642 CG LEU A 184 2.660 -8.511 4.146 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.150 -8.328 4.332 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.917 -9.604 3.106 1.00 0.00 C ATOM 0 H LEU A 184 4.202 -5.691 1.922 1.00 0.00 H new ATOM 0 HA LEU A 184 1.795 -7.219 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.263 -7.405 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.505 -6.557 4.536 1.00 0.00 H new ATOM 0 HG LEU A 184 3.100 -8.799 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.708 -9.267 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 184 0.966 -7.556 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.700 -8.030 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.460 -10.536 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 184 2.483 -9.307 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.991 -9.748 2.988 1.00 0.00 H new ATOM 656 N ALA A 185 1.963 -4.434 3.907 1.00 0.00 N ATOM 657 CA ALA A 185 1.115 -3.463 4.651 1.00 0.00 C ATOM 658 C ALA A 185 0.039 -2.929 3.708 1.00 0.00 C ATOM 659 O ALA A 185 -1.075 -2.654 4.108 1.00 0.00 O ATOM 660 CB ALA A 185 1.980 -2.305 5.152 1.00 0.00 C ATOM 0 H ALA A 185 2.938 -4.157 3.790 1.00 0.00 H new ATOM 0 HA ALA A 185 0.649 -3.954 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.358 -1.595 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.755 -2.690 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.444 -1.804 4.303 1.00 0.00 H new ATOM 666 N TYR A 186 0.364 -2.788 2.452 1.00 0.00 N ATOM 667 CA TYR A 186 -0.636 -2.281 1.475 1.00 0.00 C ATOM 668 C TYR A 186 -1.803 -3.265 1.396 1.00 0.00 C ATOM 669 O TYR A 186 -2.940 -2.884 1.222 1.00 0.00 O ATOM 670 CB TYR A 186 0.012 -2.165 0.095 1.00 0.00 C ATOM 671 CG TYR A 186 -1.043 -1.788 -0.913 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.951 -2.753 -1.366 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.119 -0.475 -1.391 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.935 -2.406 -2.298 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.105 -0.125 -2.323 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.013 -1.090 -2.778 1.00 0.00 C ATOM 677 OH TYR A 186 -3.983 -0.747 -3.697 1.00 0.00 O ATOM 0 H TYR A 186 1.281 -3.003 2.061 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.994 -1.303 1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.802 -1.414 0.112 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.477 -3.111 -0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.892 -3.766 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.418 0.268 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.634 -3.151 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.165 0.889 -2.691 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.898 0.203 -3.924 1.00 0.00 H new ATOM 687 N ASP A 187 -1.520 -4.533 1.519 1.00 0.00 N ATOM 688 CA ASP A 187 -2.595 -5.554 1.448 1.00 0.00 C ATOM 689 C ASP A 187 -3.614 -5.315 2.562 1.00 0.00 C ATOM 690 O ASP A 187 -4.802 -5.221 2.324 1.00 0.00 O ATOM 691 CB ASP A 187 -1.974 -6.941 1.616 1.00 0.00 C ATOM 692 CG ASP A 187 -0.935 -7.181 0.517 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.990 -6.490 -0.487 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.102 -8.054 0.698 1.00 0.00 O ATOM 0 H ASP A 187 -0.582 -4.905 1.667 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.099 -5.486 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.505 -7.023 2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.750 -7.705 1.569 1.00 0.00 H new ATOM 699 N ARG A 188 -3.159 -5.228 3.779 1.00 0.00 N ATOM 700 CA ARG A 188 -4.100 -5.008 4.914 1.00 0.00 C ATOM 701 C ARG A 188 -4.852 -3.689 4.724 1.00 0.00 C ATOM 702 O ARG A 188 -5.954 -3.520 5.208 1.00 0.00 O ATOM 703 CB ARG A 188 -3.314 -4.962 6.224 1.00 0.00 C ATOM 704 CG ARG A 188 -3.430 -6.311 6.932 1.00 0.00 C ATOM 705 CD ARG A 188 -2.588 -7.350 6.190 1.00 0.00 C ATOM 706 NE ARG A 188 -2.146 -8.405 7.144 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.818 -9.519 7.241 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.745 -10.411 6.292 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.564 -9.742 8.289 1.00 0.00 N ATOM 0 H ARG A 188 -2.175 -5.300 4.039 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.819 -5.827 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.267 -4.732 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.699 -4.168 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.091 -6.222 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.472 -6.628 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.169 -7.795 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -1.722 -6.872 5.733 1.00 0.00 H new ATOM 0 HE ARG A 188 -1.318 -8.257 7.721 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.162 -10.238 5.473 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -3.271 -11.282 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.621 -9.045 9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.089 -10.613 8.365 1.00 0.00 H new ATOM 723 N ALA A 189 -4.271 -2.751 4.028 1.00 0.00 N ATOM 724 CA ALA A 189 -4.963 -1.448 3.817 1.00 0.00 C ATOM 725 C ALA A 189 -5.833 -1.531 2.563 1.00 0.00 C ATOM 726 O ALA A 189 -6.718 -0.724 2.352 1.00 0.00 O ATOM 727 CB ALA A 189 -3.922 -0.341 3.639 1.00 0.00 C ATOM 0 H ALA A 189 -3.350 -2.830 3.597 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.589 -1.225 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.427 0.612 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.299 -0.281 4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.297 -0.565 2.774 1.00 0.00 H new ATOM 733 N ALA A 190 -5.592 -2.505 1.730 1.00 0.00 N ATOM 734 CA ALA A 190 -6.404 -2.643 0.489 1.00 0.00 C ATOM 735 C ALA A 190 -7.569 -3.596 0.753 1.00 0.00 C ATOM 736 O ALA A 190 -8.487 -3.699 -0.032 1.00 0.00 O ATOM 737 CB ALA A 190 -5.530 -3.200 -0.637 1.00 0.00 C ATOM 0 H ALA A 190 -4.867 -3.212 1.855 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.790 -1.667 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.126 -3.300 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.698 -2.520 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.143 -4.177 -0.348 1.00 0.00 H new ATOM 743 N PHE A 191 -7.541 -4.288 1.858 1.00 0.00 N ATOM 744 CA PHE A 191 -8.654 -5.226 2.172 1.00 0.00 C ATOM 745 C PHE A 191 -9.604 -4.552 3.161 1.00 0.00 C ATOM 746 O PHE A 191 -10.802 -4.752 3.123 1.00 0.00 O ATOM 747 CB PHE A 191 -8.090 -6.508 2.786 1.00 0.00 C ATOM 748 CG PHE A 191 -8.920 -7.686 2.337 1.00 0.00 C ATOM 749 CD1 PHE A 191 -10.070 -8.049 3.050 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.540 -8.414 1.202 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.840 -9.141 2.628 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.310 -9.505 0.779 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.459 -9.869 1.492 1.00 0.00 C ATOM 0 H PHE A 191 -6.798 -4.245 2.555 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.193 -5.480 1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -7.052 -6.644 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -8.097 -6.437 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -10.363 -7.487 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.653 -8.134 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -11.726 -9.422 3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -9.018 -10.065 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 191 -11.052 -10.711 1.167 1.00 0.00 H new ATOM 763 N ARG A 192 -9.077 -3.744 4.037 1.00 0.00 N ATOM 764 CA ARG A 192 -9.947 -3.043 5.022 1.00 0.00 C ATOM 765 C ARG A 192 -10.597 -1.846 4.334 1.00 0.00 C ATOM 766 O ARG A 192 -11.769 -1.573 4.505 1.00 0.00 O ATOM 767 CB ARG A 192 -9.097 -2.559 6.195 1.00 0.00 C ATOM 768 CG ARG A 192 -8.773 -3.739 7.112 1.00 0.00 C ATOM 769 CD ARG A 192 -9.034 -3.344 8.566 1.00 0.00 C ATOM 770 NE ARG A 192 -8.307 -2.081 8.874 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.606 -1.983 9.968 1.00 0.00 C ATOM 772 NH1 ARG A 192 -6.490 -2.650 10.089 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.018 -1.219 10.943 1.00 0.00 N ATOM 0 H ARG A 192 -8.081 -3.538 4.114 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.716 -3.721 5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.176 -2.107 5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.631 -1.789 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -9.384 -4.600 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.732 -4.035 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -10.103 -3.211 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -8.704 -4.139 9.235 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.358 -1.293 8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -6.168 -3.247 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -5.941 -2.574 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.890 -0.698 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.468 -1.143 11.799 1.00 0.00 H new ATOM 787 N MET A 193 -9.837 -1.135 3.551 1.00 0.00 N ATOM 788 CA MET A 193 -10.396 0.044 2.834 1.00 0.00 C ATOM 789 C MET A 193 -11.331 -0.438 1.725 1.00 0.00 C ATOM 790 O MET A 193 -12.274 0.234 1.358 1.00 0.00 O ATOM 791 CB MET A 193 -9.255 0.854 2.221 1.00 0.00 C ATOM 792 CG MET A 193 -9.646 2.333 2.177 1.00 0.00 C ATOM 793 SD MET A 193 -8.874 3.205 3.562 1.00 0.00 S ATOM 794 CE MET A 193 -7.177 3.166 2.937 1.00 0.00 C ATOM 0 H MET A 193 -8.849 -1.320 3.376 1.00 0.00 H new ATOM 0 HA MET A 193 -10.950 0.670 3.534 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.346 0.724 2.809 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.038 0.494 1.215 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.329 2.776 1.233 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.730 2.435 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.530 3.736 3.604 1.00 0.00 H new ATOM 0 HE2 MET A 193 -6.830 2.134 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.146 3.605 1.940 1.00 0.00 H new ATOM 804 N ARG A 194 -11.079 -1.601 1.191 1.00 0.00 N ATOM 805 CA ARG A 194 -11.954 -2.129 0.110 1.00 0.00 C ATOM 806 C ARG A 194 -12.896 -3.179 0.698 1.00 0.00 C ATOM 807 O ARG A 194 -13.546 -3.916 -0.017 1.00 0.00 O ATOM 808 CB ARG A 194 -11.092 -2.769 -0.980 1.00 0.00 C ATOM 809 CG ARG A 194 -10.176 -1.710 -1.595 1.00 0.00 C ATOM 810 CD ARG A 194 -10.980 -0.845 -2.564 1.00 0.00 C ATOM 811 NE ARG A 194 -11.757 0.168 -1.795 1.00 0.00 N ATOM 812 CZ ARG A 194 -12.823 0.710 -2.318 1.00 0.00 C ATOM 813 NH1 ARG A 194 -12.853 0.991 -3.591 1.00 0.00 N ATOM 814 NH2 ARG A 194 -13.856 0.973 -1.566 1.00 0.00 N ATOM 0 H ARG A 194 -10.304 -2.208 1.458 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.535 -1.315 -0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.497 -3.579 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.727 -3.207 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -9.741 -1.090 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.348 -2.189 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -10.311 -0.349 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.655 -1.468 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.455 0.438 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -12.044 0.787 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -13.686 1.415 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.830 0.755 -0.570 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -14.689 1.397 -1.974 1.00 0.00 H new ATOM 828 N GLY A 195 -12.973 -3.255 1.999 1.00 0.00 N ATOM 829 CA GLY A 195 -13.869 -4.259 2.636 1.00 0.00 C ATOM 830 C GLY A 195 -13.504 -5.654 2.130 1.00 0.00 C ATOM 831 O GLY A 195 -12.396 -5.895 1.694 1.00 0.00 O ATOM 0 H GLY A 195 -12.453 -2.664 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.770 -4.216 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.910 -4.035 2.402 1.00 0.00 H new ATOM 835 N SER A 196 -14.425 -6.575 2.183 1.00 0.00 N ATOM 836 CA SER A 196 -14.125 -7.953 1.703 1.00 0.00 C ATOM 837 C SER A 196 -13.865 -7.922 0.195 1.00 0.00 C ATOM 838 O SER A 196 -14.336 -7.049 -0.507 1.00 0.00 O ATOM 839 CB SER A 196 -15.316 -8.867 1.997 1.00 0.00 C ATOM 840 OG SER A 196 -16.521 -8.189 1.667 1.00 0.00 O ATOM 0 H SER A 196 -15.371 -6.434 2.537 1.00 0.00 H new ATOM 0 HA SER A 196 -13.242 -8.332 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.234 -9.788 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.321 -9.150 3.050 1.00 0.00 H new ATOM 0 HG SER A 196 -17.286 -8.773 1.853 1.00 0.00 H new ATOM 846 N ARG A 197 -13.121 -8.869 -0.305 1.00 0.00 N ATOM 847 CA ARG A 197 -12.828 -8.902 -1.766 1.00 0.00 C ATOM 848 C ARG A 197 -12.041 -7.652 -2.166 1.00 0.00 C ATOM 849 O ARG A 197 -12.560 -6.553 -2.177 1.00 0.00 O ATOM 850 CB ARG A 197 -14.139 -8.952 -2.551 1.00 0.00 C ATOM 851 CG ARG A 197 -14.594 -10.407 -2.691 1.00 0.00 C ATOM 852 CD ARG A 197 -15.580 -10.527 -3.855 1.00 0.00 C ATOM 853 NE ARG A 197 -16.694 -11.439 -3.472 1.00 0.00 N ATOM 854 CZ ARG A 197 -17.747 -11.540 -4.236 1.00 0.00 C ATOM 855 NH1 ARG A 197 -17.723 -12.322 -5.282 1.00 0.00 N ATOM 856 NH2 ARG A 197 -18.824 -10.859 -3.956 1.00 0.00 N ATOM 0 H ARG A 197 -12.702 -9.624 0.237 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.235 -9.788 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.904 -8.368 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -14.003 -8.506 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.733 -11.053 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -15.065 -10.742 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -15.974 -9.544 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -15.070 -10.910 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 197 -16.634 -11.985 -2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -16.881 -12.854 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -18.546 -12.401 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -18.843 -10.248 -3.140 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -19.647 -10.938 -4.553 1.00 0.00 H new ATOM 870 N ALA A 198 -10.791 -7.817 -2.500 1.00 0.00 N ATOM 871 CA ALA A 198 -9.960 -6.650 -2.908 1.00 0.00 C ATOM 872 C ALA A 198 -8.731 -7.161 -3.665 1.00 0.00 C ATOM 873 O ALA A 198 -8.500 -8.351 -3.752 1.00 0.00 O ATOM 874 CB ALA A 198 -9.513 -5.877 -1.665 1.00 0.00 C ATOM 0 H ALA A 198 -10.307 -8.715 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.541 -5.987 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.905 -5.024 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.389 -5.524 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.926 -6.532 -1.021 1.00 0.00 H new ATOM 880 N LEU A 199 -7.945 -6.279 -4.214 1.00 0.00 N ATOM 881 CA LEU A 199 -6.739 -6.728 -4.965 1.00 0.00 C ATOM 882 C LEU A 199 -5.479 -6.195 -4.279 1.00 0.00 C ATOM 883 O LEU A 199 -5.343 -5.011 -4.040 1.00 0.00 O ATOM 884 CB LEU A 199 -6.808 -6.199 -6.399 1.00 0.00 C ATOM 885 CG LEU A 199 -7.562 -7.203 -7.273 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.291 -6.459 -8.392 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.568 -8.195 -7.885 1.00 0.00 C ATOM 0 H LEU A 199 -8.084 -5.269 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.705 -7.817 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.312 -5.233 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.803 -6.042 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.286 -7.743 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.828 -7.174 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.999 -5.752 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.567 -5.919 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.105 -8.911 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.844 -7.655 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.047 -8.726 -7.088 1.00 0.00 H new ATOM 899 N LEU A 200 -4.558 -7.062 -3.953 1.00 0.00 N ATOM 900 CA LEU A 200 -3.311 -6.608 -3.275 1.00 0.00 C ATOM 901 C LEU A 200 -2.093 -7.229 -3.960 1.00 0.00 C ATOM 902 O LEU A 200 -2.215 -7.983 -4.905 1.00 0.00 O ATOM 903 CB LEU A 200 -3.324 -7.038 -1.803 1.00 0.00 C ATOM 904 CG LEU A 200 -4.524 -7.944 -1.513 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.238 -8.794 -0.274 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.760 -7.079 -1.261 1.00 0.00 C ATOM 0 H LEU A 200 -4.616 -8.065 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.258 -5.521 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.399 -7.564 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.364 -6.157 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.701 -8.598 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.093 -9.438 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.355 -9.408 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.062 -8.142 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.617 -7.720 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.580 -6.427 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.965 -6.472 -2.143 1.00 0.00 H new ATOM 918 N ASN A 201 -0.919 -6.929 -3.475 1.00 0.00 N ATOM 919 CA ASN A 201 0.313 -7.514 -4.081 1.00 0.00 C ATOM 920 C ASN A 201 0.422 -8.966 -3.628 1.00 0.00 C ATOM 921 O ASN A 201 0.876 -9.829 -4.353 1.00 0.00 O ATOM 922 CB ASN A 201 1.555 -6.748 -3.608 1.00 0.00 C ATOM 923 CG ASN A 201 1.173 -5.327 -3.187 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.418 -4.941 -1.967 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.643 -4.567 -3.974 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.759 -6.304 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 201 0.253 -7.449 -5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.017 -7.271 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.295 -6.711 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.453 -4.872 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.389 -3.624 -3.680 1.00 0.00 H new ATOM 932 N PHE A 202 0.003 -9.234 -2.423 1.00 0.00 N ATOM 933 CA PHE A 202 0.066 -10.621 -1.894 1.00 0.00 C ATOM 934 C PHE A 202 -1.337 -11.048 -1.452 1.00 0.00 C ATOM 935 O PHE A 202 -1.677 -10.944 -0.291 1.00 0.00 O ATOM 936 CB PHE A 202 1.016 -10.660 -0.696 1.00 0.00 C ATOM 937 CG PHE A 202 2.226 -9.810 -0.987 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.834 -9.864 -2.247 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.747 -8.974 0.007 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.964 -9.082 -2.513 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.876 -8.189 -0.258 1.00 0.00 C ATOM 942 CZ PHE A 202 4.486 -8.243 -1.517 1.00 0.00 C ATOM 0 H PHE A 202 -0.383 -8.544 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 202 0.430 -11.299 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.508 -10.295 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.320 -11.687 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.431 -10.509 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.278 -8.934 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.434 -9.124 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.276 -7.542 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.358 -7.639 -1.721 1.00 0.00 H new ATOM 952 N PRO A 203 -2.113 -11.508 -2.400 1.00 0.00 N ATOM 953 CA PRO A 203 -3.495 -11.950 -2.147 1.00 0.00 C ATOM 954 C PRO A 203 -3.504 -13.331 -1.487 1.00 0.00 C ATOM 955 O PRO A 203 -2.692 -14.182 -1.791 1.00 0.00 O ATOM 956 CB PRO A 203 -4.115 -12.004 -3.546 1.00 0.00 C ATOM 957 CG PRO A 203 -2.938 -12.145 -4.541 1.00 0.00 C ATOM 958 CD PRO A 203 -1.683 -11.635 -3.808 1.00 0.00 C ATOM 0 HA PRO A 203 -4.040 -11.291 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.801 -12.846 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.691 -11.101 -3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.813 -13.183 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.122 -11.564 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.852 -12.332 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.348 -10.679 -4.210 1.00 0.00 H new