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 Set 1.1: A 156 LYS NZ :NH3+ -150:sc= 0.00511 (180deg=0) USER MOD Set 1.2: A 175 THR OG1 : rot -150:sc= 0.00555 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.91) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.006) USER MOD Single : A 178 THR OG1 : rot -107:sc= -1.34! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 171:sc= -4.33! (180deg=-4.73!) USER MOD Single : A 196 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 201 ASN :FLIP amide:sc= -3.34! C(o=-8.9!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.292 -3.536 -6.728 1.00 0.00 N ATOM 41 CA TYR A 146 3.983 -3.557 -6.016 1.00 0.00 C ATOM 42 C TYR A 146 3.207 -2.273 -6.312 1.00 0.00 C ATOM 43 O TYR A 146 3.766 -1.196 -6.377 1.00 0.00 O ATOM 44 CB TYR A 146 4.230 -3.663 -4.513 1.00 0.00 C ATOM 45 CG TYR A 146 5.036 -4.899 -4.221 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.867 -6.045 -5.008 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.942 -4.907 -3.156 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.608 -7.200 -4.730 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.681 -6.062 -2.875 1.00 0.00 C ATOM 50 CZ TYR A 146 6.514 -7.209 -3.662 1.00 0.00 C ATOM 51 OH TYR A 146 7.243 -8.349 -3.384 1.00 0.00 O ATOM 0 HA TYR A 146 3.401 -4.413 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.759 -2.779 -4.158 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.280 -3.701 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.165 -6.038 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.072 -4.022 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.481 -8.083 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.380 -6.069 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 146 7.825 -8.185 -2.612 1.00 0.00 H new ATOM 61 N ARG A 147 1.917 -2.379 -6.482 1.00 0.00 N ATOM 62 CA ARG A 147 1.099 -1.165 -6.764 1.00 0.00 C ATOM 63 C ARG A 147 0.848 -0.418 -5.454 1.00 0.00 C ATOM 64 O ARG A 147 0.127 -0.882 -4.592 1.00 0.00 O ATOM 65 CB ARG A 147 -0.239 -1.582 -7.379 1.00 0.00 C ATOM 66 CG ARG A 147 0.011 -2.486 -8.586 1.00 0.00 C ATOM 67 CD ARG A 147 -0.141 -1.673 -9.874 1.00 0.00 C ATOM 68 NE ARG A 147 -1.433 -2.021 -10.531 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.558 -1.831 -9.899 1.00 0.00 C ATOM 70 NH1 ARG A 147 -3.034 -2.764 -9.119 1.00 0.00 N ATOM 71 NH2 ARG A 147 -3.209 -0.709 -10.047 1.00 0.00 N ATOM 0 H ARG A 147 1.394 -3.254 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 147 1.629 -0.517 -7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.844 -2.106 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.802 -0.699 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.011 -2.916 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.694 -3.317 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.110 -0.607 -9.650 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.690 -1.881 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.437 -2.408 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.526 -3.641 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.914 -2.616 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.838 0.019 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.089 -0.561 -9.553 1.00 0.00 H new ATOM 85 N GLY A 148 1.440 0.731 -5.294 1.00 0.00 N ATOM 86 CA GLY A 148 1.238 1.503 -4.036 1.00 0.00 C ATOM 87 C GLY A 148 2.564 1.594 -3.279 1.00 0.00 C ATOM 88 O GLY A 148 2.755 2.456 -2.446 1.00 0.00 O ATOM 0 H GLY A 148 2.055 1.170 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.868 2.502 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.485 1.018 -3.415 1.00 0.00 H new ATOM 92 N VAL A 149 3.483 0.710 -3.564 1.00 0.00 N ATOM 93 CA VAL A 149 4.794 0.750 -2.859 1.00 0.00 C ATOM 94 C VAL A 149 5.785 1.583 -3.671 1.00 0.00 C ATOM 95 O VAL A 149 6.221 1.185 -4.733 1.00 0.00 O ATOM 96 CB VAL A 149 5.343 -0.668 -2.698 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.680 -0.611 -1.960 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.355 -1.510 -1.891 1.00 0.00 C ATOM 0 H VAL A 149 3.382 -0.035 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 149 4.655 1.198 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 149 5.485 -1.117 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.075 -1.620 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.386 -0.009 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.534 -0.163 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.747 -2.521 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.214 -1.062 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.399 -1.549 -2.413 1.00 0.00 H new ATOM 108 N ARG A 150 6.152 2.732 -3.177 1.00 0.00 N ATOM 109 CA ARG A 150 7.123 3.584 -3.917 1.00 0.00 C ATOM 110 C ARG A 150 8.537 3.257 -3.437 1.00 0.00 C ATOM 111 O ARG A 150 8.895 3.521 -2.305 1.00 0.00 O ATOM 112 CB ARG A 150 6.817 5.058 -3.651 1.00 0.00 C ATOM 113 CG ARG A 150 5.407 5.384 -4.148 1.00 0.00 C ATOM 114 CD ARG A 150 5.429 6.714 -4.904 1.00 0.00 C ATOM 115 NE ARG A 150 4.813 6.532 -6.249 1.00 0.00 N ATOM 116 CZ ARG A 150 4.213 7.534 -6.832 1.00 0.00 C ATOM 117 NH1 ARG A 150 4.895 8.354 -7.585 1.00 0.00 N ATOM 118 NH2 ARG A 150 2.933 7.717 -6.661 1.00 0.00 N ATOM 0 H ARG A 150 5.821 3.118 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 150 7.044 3.391 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.896 5.270 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.548 5.689 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.046 4.588 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.717 5.443 -3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.884 7.473 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.454 7.069 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 150 4.860 5.625 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.896 8.212 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.427 9.137 -8.041 1.00 0.00 H new ATOM 0 HH21 ARG A 150 2.401 7.077 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 150 2.464 8.500 -7.117 1.00 0.00 H new ATOM 132 N GLN A 151 9.341 2.676 -4.282 1.00 0.00 N ATOM 133 CA GLN A 151 10.726 2.324 -3.867 1.00 0.00 C ATOM 134 C GLN A 151 11.596 3.580 -3.829 1.00 0.00 C ATOM 135 O GLN A 151 11.344 4.549 -4.518 1.00 0.00 O ATOM 136 CB GLN A 151 11.314 1.319 -4.858 1.00 0.00 C ATOM 137 CG GLN A 151 11.452 1.973 -6.234 1.00 0.00 C ATOM 138 CD GLN A 151 12.916 1.933 -6.674 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.796 2.333 -5.936 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.219 1.462 -7.853 1.00 0.00 N ATOM 0 H GLN A 151 9.099 2.430 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 151 10.701 1.881 -2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.288 0.976 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.672 0.441 -4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.829 1.451 -6.960 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.101 3.004 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.482 1.126 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.193 1.430 -8.154 1.00 0.00 H new ATOM 149 N ARG A 152 12.620 3.565 -3.022 1.00 0.00 N ATOM 150 CA ARG A 152 13.521 4.748 -2.921 1.00 0.00 C ATOM 151 C ARG A 152 14.973 4.266 -3.005 1.00 0.00 C ATOM 152 O ARG A 152 15.221 3.078 -3.041 1.00 0.00 O ATOM 153 CB ARG A 152 13.283 5.456 -1.581 1.00 0.00 C ATOM 154 CG ARG A 152 11.835 5.243 -1.134 1.00 0.00 C ATOM 155 CD ARG A 152 11.347 6.484 -0.383 1.00 0.00 C ATOM 156 NE ARG A 152 10.563 7.351 -1.307 1.00 0.00 N ATOM 157 CZ ARG A 152 10.225 8.558 -0.943 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.625 9.033 0.206 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.486 9.293 -1.729 1.00 0.00 N ATOM 0 H ARG A 152 12.873 2.779 -2.424 1.00 0.00 H new ATOM 0 HA ARG A 152 13.318 5.447 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.967 5.067 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.490 6.522 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.200 5.055 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.767 4.365 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 152 10.730 6.189 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.197 7.037 0.017 1.00 0.00 H new ATOM 0 HE ARG A 152 10.290 7.001 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.203 8.460 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.359 9.977 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.173 8.924 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 152 9.221 10.236 -1.445 1.00 0.00 H new ATOM 173 N PRO A 153 15.892 5.197 -3.036 1.00 0.00 N ATOM 174 CA PRO A 153 17.326 4.878 -3.119 1.00 0.00 C ATOM 175 C PRO A 153 17.846 4.437 -1.749 1.00 0.00 C ATOM 176 O PRO A 153 17.178 4.590 -0.747 1.00 0.00 O ATOM 177 CB PRO A 153 17.964 6.197 -3.560 1.00 0.00 C ATOM 178 CG PRO A 153 16.970 7.316 -3.166 1.00 0.00 C ATOM 179 CD PRO A 153 15.596 6.642 -2.987 1.00 0.00 C ATOM 0 HA PRO A 153 17.551 4.061 -3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.928 6.344 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 153 18.146 6.200 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.284 7.806 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.927 8.085 -3.937 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.135 6.922 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.904 6.934 -3.777 1.00 0.00 H new ATOM 187 N TRP A 154 19.027 3.884 -1.701 1.00 0.00 N ATOM 188 CA TRP A 154 19.585 3.422 -0.398 1.00 0.00 C ATOM 189 C TRP A 154 18.882 2.128 0.020 1.00 0.00 C ATOM 190 O TRP A 154 19.397 1.043 -0.162 1.00 0.00 O ATOM 191 CB TRP A 154 19.366 4.499 0.668 1.00 0.00 C ATOM 192 CG TRP A 154 20.688 4.948 1.202 1.00 0.00 C ATOM 193 CD1 TRP A 154 21.076 4.858 2.496 1.00 0.00 C ATOM 194 CD2 TRP A 154 21.800 5.556 0.482 1.00 0.00 C ATOM 195 NE1 TRP A 154 22.355 5.371 2.615 1.00 0.00 N ATOM 196 CE2 TRP A 154 22.844 5.814 1.402 1.00 0.00 C ATOM 197 CE3 TRP A 154 22.001 5.906 -0.866 1.00 0.00 C ATOM 198 CZ2 TRP A 154 24.046 6.398 0.998 1.00 0.00 C ATOM 199 CZ3 TRP A 154 23.210 6.493 -1.277 1.00 0.00 C ATOM 200 CH2 TRP A 154 24.230 6.739 -0.347 1.00 0.00 C ATOM 0 H TRP A 154 19.631 3.732 -2.509 1.00 0.00 H new ATOM 0 HA TRP A 154 20.654 3.238 -0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 154 18.828 5.345 0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 154 18.750 4.106 1.476 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.484 4.452 3.303 1.00 0.00 H new ATOM 0 HE1 TRP A 154 22.874 5.417 3.492 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.221 5.722 -1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 24.829 6.585 1.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.354 6.756 -2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 154 25.157 7.191 -0.668 1.00 0.00 H new ATOM 211 N GLY A 155 17.705 2.232 0.576 1.00 0.00 N ATOM 212 CA GLY A 155 16.969 1.007 0.999 1.00 0.00 C ATOM 213 C GLY A 155 15.686 1.406 1.728 1.00 0.00 C ATOM 214 O GLY A 155 15.542 1.190 2.914 1.00 0.00 O ATOM 0 H GLY A 155 17.222 3.112 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.730 0.396 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.597 0.401 1.652 1.00 0.00 H new ATOM 218 N LYS A 156 14.749 1.993 1.031 1.00 0.00 N ATOM 219 CA LYS A 156 13.480 2.405 1.697 1.00 0.00 C ATOM 220 C LYS A 156 12.307 2.270 0.722 1.00 0.00 C ATOM 221 O LYS A 156 12.485 2.164 -0.475 1.00 0.00 O ATOM 222 CB LYS A 156 13.592 3.862 2.150 1.00 0.00 C ATOM 223 CG LYS A 156 14.266 3.923 3.521 1.00 0.00 C ATOM 224 CD LYS A 156 13.204 4.129 4.603 1.00 0.00 C ATOM 225 CE LYS A 156 13.842 4.791 5.825 1.00 0.00 C ATOM 226 NZ LYS A 156 12.890 4.748 6.970 1.00 0.00 N ATOM 0 H LYS A 156 14.807 2.204 0.035 1.00 0.00 H new ATOM 0 HA LYS A 156 13.307 1.761 2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 156 14.169 4.436 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.602 4.315 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.817 3.002 3.708 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.989 4.738 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.395 4.751 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.764 3.172 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.767 4.277 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.105 5.824 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 13.052 5.569 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 11.914 4.772 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.038 3.873 7.512 1.00 0.00 H new ATOM 240 N PHE A 157 11.107 2.282 1.234 1.00 0.00 N ATOM 241 CA PHE A 157 9.907 2.166 0.357 1.00 0.00 C ATOM 242 C PHE A 157 8.760 2.955 0.989 1.00 0.00 C ATOM 243 O PHE A 157 8.908 3.538 2.044 1.00 0.00 O ATOM 244 CB PHE A 157 9.504 0.695 0.225 1.00 0.00 C ATOM 245 CG PHE A 157 10.480 -0.018 -0.680 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.706 -0.469 -0.171 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.161 -0.232 -2.029 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.611 -1.133 -1.008 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.067 -0.896 -2.865 1.00 0.00 C ATOM 250 CZ PHE A 157 12.292 -1.346 -2.356 1.00 0.00 C ATOM 0 H PHE A 157 10.905 2.368 2.230 1.00 0.00 H new ATOM 0 HA PHE A 157 10.132 2.563 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.490 0.222 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.495 0.619 -0.180 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.953 -0.304 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.217 0.115 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.555 -1.481 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.821 -1.061 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.990 -1.857 -3.002 1.00 0.00 H new ATOM 260 N ALA A 158 7.617 2.981 0.361 1.00 0.00 N ATOM 261 CA ALA A 158 6.475 3.739 0.946 1.00 0.00 C ATOM 262 C ALA A 158 5.155 3.051 0.593 1.00 0.00 C ATOM 263 O ALA A 158 4.701 3.094 -0.532 1.00 0.00 O ATOM 264 CB ALA A 158 6.467 5.165 0.392 1.00 0.00 C ATOM 0 H ALA A 158 7.425 2.514 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 158 6.587 3.768 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.631 5.717 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.402 5.662 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.362 5.133 -0.693 1.00 0.00 H new ATOM 270 N ALA A 159 4.529 2.425 1.552 1.00 0.00 N ATOM 271 CA ALA A 159 3.234 1.744 1.276 1.00 0.00 C ATOM 272 C ALA A 159 2.111 2.783 1.290 1.00 0.00 C ATOM 273 O ALA A 159 1.849 3.411 2.296 1.00 0.00 O ATOM 274 CB ALA A 159 2.972 0.691 2.355 1.00 0.00 C ATOM 0 H ALA A 159 4.859 2.356 2.515 1.00 0.00 H new ATOM 0 HA ALA A 159 3.272 1.258 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.024 0.192 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.777 -0.044 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.928 1.174 3.331 1.00 0.00 H new ATOM 280 N GLU A 160 1.448 2.971 0.180 1.00 0.00 N ATOM 281 CA GLU A 160 0.346 3.974 0.131 1.00 0.00 C ATOM 282 C GLU A 160 -0.798 3.436 -0.734 1.00 0.00 C ATOM 283 O GLU A 160 -0.577 2.819 -1.757 1.00 0.00 O ATOM 284 CB GLU A 160 0.875 5.277 -0.477 1.00 0.00 C ATOM 285 CG GLU A 160 -0.230 6.337 -0.466 1.00 0.00 C ATOM 286 CD GLU A 160 -0.512 6.795 -1.898 1.00 0.00 C ATOM 287 OE1 GLU A 160 -1.036 6.000 -2.660 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.198 7.933 -2.208 1.00 0.00 O ATOM 0 H GLU A 160 1.622 2.474 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.021 4.162 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.737 5.630 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.214 5.102 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -1.136 5.928 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.073 7.187 0.146 1.00 0.00 H new ATOM 295 N ILE A 161 -2.020 3.664 -0.333 1.00 0.00 N ATOM 296 CA ILE A 161 -3.174 3.166 -1.137 1.00 0.00 C ATOM 297 C ILE A 161 -4.110 4.332 -1.464 1.00 0.00 C ATOM 298 O ILE A 161 -4.095 5.356 -0.810 1.00 0.00 O ATOM 299 CB ILE A 161 -3.940 2.109 -0.338 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.161 1.650 -1.140 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.402 2.710 0.991 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.953 0.623 -0.328 1.00 0.00 C ATOM 0 H ILE A 161 -2.269 4.173 0.515 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.804 2.724 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.289 1.257 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.793 2.505 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.843 1.213 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.948 1.958 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.534 3.039 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.054 3.562 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.821 0.298 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.319 -0.237 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.284 1.075 0.607 1.00 0.00 H new ATOM 314 N ARG A 162 -4.925 4.184 -2.474 1.00 0.00 N ATOM 315 CA ARG A 162 -5.862 5.281 -2.845 1.00 0.00 C ATOM 316 C ARG A 162 -7.240 5.002 -2.242 1.00 0.00 C ATOM 317 O ARG A 162 -7.900 4.044 -2.592 1.00 0.00 O ATOM 318 CB ARG A 162 -5.975 5.356 -4.369 1.00 0.00 C ATOM 319 CG ARG A 162 -7.154 6.250 -4.757 1.00 0.00 C ATOM 320 CD ARG A 162 -6.775 7.088 -5.980 1.00 0.00 C ATOM 321 NE ARG A 162 -7.690 8.260 -6.087 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.581 9.083 -7.095 1.00 0.00 C ATOM 323 NH1 ARG A 162 -8.167 8.810 -8.228 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.885 10.180 -6.968 1.00 0.00 N ATOM 0 H ARG A 162 -4.982 3.350 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.485 6.229 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.052 5.752 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.113 4.357 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -8.030 5.640 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.420 6.901 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.742 7.427 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.838 6.481 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 162 -8.401 8.419 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -8.711 7.953 -8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -8.081 9.454 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.427 10.394 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.799 10.824 -7.755 1.00 0.00 H new ATOM 338 N ASP A 163 -7.681 5.832 -1.337 1.00 0.00 N ATOM 339 CA ASP A 163 -9.015 5.615 -0.712 1.00 0.00 C ATOM 340 C ASP A 163 -10.050 6.524 -1.391 1.00 0.00 C ATOM 341 O ASP A 163 -10.013 7.726 -1.220 1.00 0.00 O ATOM 342 CB ASP A 163 -8.939 5.959 0.777 1.00 0.00 C ATOM 343 CG ASP A 163 -10.083 5.266 1.521 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.056 4.914 0.876 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.966 5.100 2.724 1.00 0.00 O ATOM 0 H ASP A 163 -7.174 6.652 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.309 4.572 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.980 5.641 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.002 7.038 0.915 1.00 0.00 H new ATOM 350 N PRO A 164 -10.943 5.925 -2.139 1.00 0.00 N ATOM 351 CA PRO A 164 -11.998 6.666 -2.851 1.00 0.00 C ATOM 352 C PRO A 164 -13.111 7.064 -1.879 1.00 0.00 C ATOM 353 O PRO A 164 -13.795 8.049 -2.071 1.00 0.00 O ATOM 354 CB PRO A 164 -12.510 5.659 -3.886 1.00 0.00 C ATOM 355 CG PRO A 164 -12.135 4.257 -3.350 1.00 0.00 C ATOM 356 CD PRO A 164 -10.988 4.463 -2.344 1.00 0.00 C ATOM 0 HA PRO A 164 -11.643 7.591 -3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.588 5.750 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.055 5.837 -4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.991 3.784 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.824 3.602 -4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.179 3.936 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.043 4.087 -2.735 1.00 0.00 H new ATOM 364 N ALA A 165 -13.293 6.305 -0.835 1.00 0.00 N ATOM 365 CA ALA A 165 -14.355 6.635 0.151 1.00 0.00 C ATOM 366 C ALA A 165 -14.066 8.000 0.777 1.00 0.00 C ATOM 367 O ALA A 165 -14.948 8.654 1.296 1.00 0.00 O ATOM 368 CB ALA A 165 -14.382 5.567 1.246 1.00 0.00 C ATOM 0 H ALA A 165 -12.750 5.468 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.321 6.665 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.160 5.808 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.589 4.594 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.415 5.537 1.749 1.00 0.00 H new ATOM 374 N LYS A 166 -12.837 8.435 0.731 1.00 0.00 N ATOM 375 CA LYS A 166 -12.492 9.759 1.326 1.00 0.00 C ATOM 376 C LYS A 166 -12.632 10.848 0.261 1.00 0.00 C ATOM 377 O LYS A 166 -12.034 11.902 0.356 1.00 0.00 O ATOM 378 CB LYS A 166 -11.053 9.727 1.842 1.00 0.00 C ATOM 379 CG LYS A 166 -10.906 8.616 2.883 1.00 0.00 C ATOM 380 CD LYS A 166 -9.850 9.020 3.914 1.00 0.00 C ATOM 381 CE LYS A 166 -8.877 7.859 4.131 1.00 0.00 C ATOM 382 NZ LYS A 166 -8.830 7.516 5.579 1.00 0.00 N ATOM 0 H LYS A 166 -12.057 7.932 0.308 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.168 9.974 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.363 9.558 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.793 10.689 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.861 8.436 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.618 7.684 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -9.309 9.902 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -10.330 9.287 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -9.193 6.992 3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.883 8.133 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -8.169 6.727 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.509 8.343 6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -9.779 7.238 5.901 1.00 0.00 H new ATOM 396 N ASN A 167 -13.418 10.603 -0.752 1.00 0.00 N ATOM 397 CA ASN A 167 -13.597 11.625 -1.823 1.00 0.00 C ATOM 398 C ASN A 167 -12.369 11.634 -2.735 1.00 0.00 C ATOM 399 O ASN A 167 -11.905 12.675 -3.157 1.00 0.00 O ATOM 400 CB ASN A 167 -13.773 13.007 -1.188 1.00 0.00 C ATOM 401 CG ASN A 167 -14.907 13.752 -1.894 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.718 14.392 -1.255 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.999 13.694 -3.194 1.00 0.00 N ATOM 0 H ASN A 167 -13.944 9.739 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.482 11.381 -2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.996 12.905 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.846 13.575 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.752 14.186 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -14.318 13.156 -3.730 1.00 0.00 H new ATOM 410 N GLY A 168 -11.841 10.482 -3.046 1.00 0.00 N ATOM 411 CA GLY A 168 -10.645 10.423 -3.934 1.00 0.00 C ATOM 412 C GLY A 168 -9.457 11.098 -3.245 1.00 0.00 C ATOM 413 O GLY A 168 -9.195 12.267 -3.444 1.00 0.00 O ATOM 0 H GLY A 168 -12.186 9.578 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.402 9.386 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.858 10.919 -4.881 1.00 0.00 H new ATOM 417 N ALA A 169 -8.737 10.369 -2.439 1.00 0.00 N ATOM 418 CA ALA A 169 -7.564 10.964 -1.740 1.00 0.00 C ATOM 419 C ALA A 169 -6.455 9.916 -1.625 1.00 0.00 C ATOM 420 O ALA A 169 -6.615 8.784 -2.035 1.00 0.00 O ATOM 421 CB ALA A 169 -7.982 11.423 -0.341 1.00 0.00 C ATOM 0 H ALA A 169 -8.911 9.385 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.198 11.820 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.124 11.858 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.772 12.169 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.348 10.569 0.228 1.00 0.00 H new ATOM 427 N ARG A 170 -5.331 10.283 -1.074 1.00 0.00 N ATOM 428 CA ARG A 170 -4.215 9.305 -0.938 1.00 0.00 C ATOM 429 C ARG A 170 -4.169 8.772 0.495 1.00 0.00 C ATOM 430 O ARG A 170 -4.751 9.338 1.398 1.00 0.00 O ATOM 431 CB ARG A 170 -2.888 9.995 -1.267 1.00 0.00 C ATOM 432 CG ARG A 170 -2.908 10.483 -2.716 1.00 0.00 C ATOM 433 CD ARG A 170 -2.514 9.335 -3.647 1.00 0.00 C ATOM 434 NE ARG A 170 -1.598 9.847 -4.705 1.00 0.00 N ATOM 435 CZ ARG A 170 -1.983 10.817 -5.487 1.00 0.00 C ATOM 436 NH1 ARG A 170 -3.123 10.735 -6.116 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.226 11.869 -5.642 1.00 0.00 N ATOM 0 H ARG A 170 -5.137 11.217 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.376 8.476 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.727 10.835 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.060 9.302 -1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.902 10.849 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -2.218 11.318 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.025 8.543 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.404 8.899 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.670 9.439 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -3.714 9.912 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -3.424 11.494 -6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -0.334 11.932 -5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.527 12.628 -6.254 1.00 0.00 H new ATOM 451 N VAL A 171 -3.477 7.687 0.709 1.00 0.00 N ATOM 452 CA VAL A 171 -3.386 7.115 2.081 1.00 0.00 C ATOM 453 C VAL A 171 -1.962 6.611 2.318 1.00 0.00 C ATOM 454 O VAL A 171 -1.661 5.452 2.114 1.00 0.00 O ATOM 455 CB VAL A 171 -4.373 5.956 2.220 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.055 5.155 3.484 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.794 6.512 2.316 1.00 0.00 C ATOM 0 H VAL A 171 -2.969 7.171 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.631 7.881 2.816 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.290 5.304 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.761 4.330 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.041 4.760 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.136 5.804 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.501 5.688 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.872 7.164 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.024 7.081 1.415 1.00 0.00 H new ATOM 467 N TRP A 172 -1.083 7.477 2.740 1.00 0.00 N ATOM 468 CA TRP A 172 0.325 7.053 2.982 1.00 0.00 C ATOM 469 C TRP A 172 0.402 6.205 4.254 1.00 0.00 C ATOM 470 O TRP A 172 0.474 6.721 5.352 1.00 0.00 O ATOM 471 CB TRP A 172 1.208 8.292 3.145 1.00 0.00 C ATOM 472 CG TRP A 172 2.639 7.873 3.243 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.168 7.146 4.255 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.730 8.140 2.317 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.514 6.954 4.008 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.907 7.545 2.827 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.811 8.835 1.095 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.123 7.635 2.152 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.034 8.928 0.409 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.188 8.328 0.938 1.00 0.00 C ATOM 0 H TRP A 172 -1.279 8.460 2.928 1.00 0.00 H new ATOM 0 HA TRP A 172 0.672 6.462 2.134 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.072 8.963 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.917 8.844 4.039 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.627 6.777 5.114 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.141 6.437 4.625 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.928 9.300 0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.009 7.173 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.086 9.463 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.126 8.401 0.408 1.00 0.00 H new ATOM 491 N LEU A 173 0.395 4.908 4.114 1.00 0.00 N ATOM 492 CA LEU A 173 0.477 4.028 5.313 1.00 0.00 C ATOM 493 C LEU A 173 1.776 4.322 6.067 1.00 0.00 C ATOM 494 O LEU A 173 1.804 4.377 7.281 1.00 0.00 O ATOM 495 CB LEU A 173 0.466 2.562 4.873 1.00 0.00 C ATOM 496 CG LEU A 173 -0.961 2.148 4.510 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.957 1.431 3.159 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.505 1.203 5.584 1.00 0.00 C ATOM 0 H LEU A 173 0.336 4.420 3.220 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.377 4.218 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.125 2.424 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.847 1.928 5.674 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.592 3.035 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.974 1.136 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.568 2.101 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.326 0.544 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.522 0.907 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.873 0.317 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.508 1.711 6.548 1.00 0.00 H new ATOM 510 N GLY A 174 2.854 4.514 5.355 1.00 0.00 N ATOM 511 CA GLY A 174 4.152 4.804 6.029 1.00 0.00 C ATOM 512 C GLY A 174 5.295 4.215 5.205 1.00 0.00 C ATOM 513 O GLY A 174 5.083 3.420 4.310 1.00 0.00 O ATOM 0 H GLY A 174 2.892 4.483 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.285 5.880 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.156 4.379 7.033 1.00 0.00 H new ATOM 517 N THR A 175 6.509 4.597 5.496 1.00 0.00 N ATOM 518 CA THR A 175 7.664 4.056 4.725 1.00 0.00 C ATOM 519 C THR A 175 8.074 2.703 5.310 1.00 0.00 C ATOM 520 O THR A 175 7.853 2.425 6.472 1.00 0.00 O ATOM 521 CB THR A 175 8.842 5.031 4.806 1.00 0.00 C ATOM 522 OG1 THR A 175 9.660 4.693 5.918 1.00 0.00 O ATOM 523 CG2 THR A 175 8.323 6.460 4.968 1.00 0.00 C ATOM 0 H THR A 175 6.750 5.259 6.233 1.00 0.00 H new ATOM 0 HA THR A 175 7.377 3.930 3.681 1.00 0.00 H new ATOM 0 HB THR A 175 9.427 4.965 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.090 5.502 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.166 7.149 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.699 6.720 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.733 6.532 5.882 1.00 0.00 H new ATOM 531 N PHE A 176 8.666 1.857 4.511 1.00 0.00 N ATOM 532 CA PHE A 176 9.085 0.522 5.022 1.00 0.00 C ATOM 533 C PHE A 176 10.569 0.297 4.719 1.00 0.00 C ATOM 534 O PHE A 176 11.239 1.156 4.182 1.00 0.00 O ATOM 535 CB PHE A 176 8.253 -0.566 4.341 1.00 0.00 C ATOM 536 CG PHE A 176 6.850 -0.524 4.893 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.949 0.445 4.438 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.454 -1.449 5.868 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.649 0.491 4.957 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.156 -1.403 6.387 1.00 0.00 C ATOM 541 CZ PHE A 176 4.251 -0.433 5.932 1.00 0.00 C ATOM 0 H PHE A 176 8.877 2.033 3.529 1.00 0.00 H new ATOM 0 HA PHE A 176 8.928 0.480 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.239 -0.410 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.698 -1.546 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.256 1.157 3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.150 -2.197 6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.953 1.239 4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.850 -2.115 7.139 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.249 -0.398 6.333 1.00 0.00 H new ATOM 551 N GLU A 177 11.087 -0.852 5.058 1.00 0.00 N ATOM 552 CA GLU A 177 12.526 -1.128 4.787 1.00 0.00 C ATOM 553 C GLU A 177 12.670 -1.779 3.409 1.00 0.00 C ATOM 554 O GLU A 177 13.661 -1.604 2.730 1.00 0.00 O ATOM 555 CB GLU A 177 13.076 -2.073 5.857 1.00 0.00 C ATOM 556 CG GLU A 177 14.585 -2.241 5.666 1.00 0.00 C ATOM 557 CD GLU A 177 15.309 -1.879 6.964 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.709 -1.207 7.787 1.00 0.00 O ATOM 559 OE2 GLU A 177 16.452 -2.278 7.114 1.00 0.00 O ATOM 0 H GLU A 177 10.577 -1.610 5.510 1.00 0.00 H new ATOM 0 HA GLU A 177 13.085 -0.192 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.867 -1.675 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.581 -3.042 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.814 -3.269 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.932 -1.603 4.854 1.00 0.00 H new ATOM 566 N THR A 178 11.685 -2.528 2.992 1.00 0.00 N ATOM 567 CA THR A 178 11.763 -3.190 1.658 1.00 0.00 C ATOM 568 C THR A 178 10.404 -3.095 0.964 1.00 0.00 C ATOM 569 O THR A 178 9.408 -2.752 1.569 1.00 0.00 O ATOM 570 CB THR A 178 12.142 -4.661 1.840 1.00 0.00 C ATOM 571 OG1 THR A 178 10.968 -5.424 2.080 1.00 0.00 O ATOM 572 CG2 THR A 178 13.094 -4.801 3.027 1.00 0.00 C ATOM 0 H THR A 178 10.830 -2.710 3.517 1.00 0.00 H new ATOM 0 HA THR A 178 12.518 -2.694 1.048 1.00 0.00 H new ATOM 0 HB THR A 178 12.634 -5.024 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.941 -5.696 3.021 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.363 -5.849 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.994 -4.215 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.604 -4.439 3.931 1.00 0.00 H new ATOM 580 N ALA A 179 10.355 -3.396 -0.305 1.00 0.00 N ATOM 581 CA ALA A 179 9.062 -3.322 -1.039 1.00 0.00 C ATOM 582 C ALA A 179 8.128 -4.434 -0.558 1.00 0.00 C ATOM 583 O ALA A 179 6.926 -4.324 -0.654 1.00 0.00 O ATOM 584 CB ALA A 179 9.320 -3.490 -2.537 1.00 0.00 C ATOM 0 H ALA A 179 11.155 -3.690 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 179 8.596 -2.355 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.375 -3.436 -3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.982 -2.696 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.788 -4.458 -2.719 1.00 0.00 H new ATOM 590 N GLU A 180 8.672 -5.504 -0.046 1.00 0.00 N ATOM 591 CA GLU A 180 7.807 -6.622 0.434 1.00 0.00 C ATOM 592 C GLU A 180 7.103 -6.213 1.726 1.00 0.00 C ATOM 593 O GLU A 180 5.938 -6.497 1.926 1.00 0.00 O ATOM 594 CB GLU A 180 8.669 -7.860 0.692 1.00 0.00 C ATOM 595 CG GLU A 180 7.773 -9.030 1.104 1.00 0.00 C ATOM 596 CD GLU A 180 8.637 -10.170 1.645 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.775 -10.277 1.220 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.146 -10.917 2.476 1.00 0.00 O ATOM 0 H GLU A 180 9.675 -5.653 0.061 1.00 0.00 H new ATOM 0 HA GLU A 180 7.060 -6.850 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.232 -8.118 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.397 -7.652 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.062 -8.707 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.191 -9.375 0.249 1.00 0.00 H new ATOM 605 N ASP A 181 7.798 -5.553 2.608 1.00 0.00 N ATOM 606 CA ASP A 181 7.166 -5.131 3.888 1.00 0.00 C ATOM 607 C ASP A 181 6.166 -4.006 3.616 1.00 0.00 C ATOM 608 O ASP A 181 5.089 -3.970 4.178 1.00 0.00 O ATOM 609 CB ASP A 181 8.244 -4.634 4.854 1.00 0.00 C ATOM 610 CG ASP A 181 9.550 -5.391 4.604 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.545 -6.604 4.741 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.534 -4.747 4.279 1.00 0.00 O ATOM 0 H ASP A 181 8.777 -5.287 2.498 1.00 0.00 H new ATOM 0 HA ASP A 181 6.647 -5.980 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.401 -3.564 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.919 -4.781 5.884 1.00 0.00 H new ATOM 617 N ALA A 182 6.510 -3.087 2.756 1.00 0.00 N ATOM 618 CA ALA A 182 5.576 -1.968 2.450 1.00 0.00 C ATOM 619 C ALA A 182 4.389 -2.505 1.650 1.00 0.00 C ATOM 620 O ALA A 182 3.287 -1.999 1.738 1.00 0.00 O ATOM 621 CB ALA A 182 6.307 -0.903 1.632 1.00 0.00 C ATOM 0 H ALA A 182 7.397 -3.063 2.253 1.00 0.00 H new ATOM 0 HA ALA A 182 5.218 -1.525 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.624 -0.084 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.154 -0.523 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.665 -1.342 0.701 1.00 0.00 H new ATOM 627 N ALA A 183 4.603 -3.530 0.872 1.00 0.00 N ATOM 628 CA ALA A 183 3.485 -4.102 0.071 1.00 0.00 C ATOM 629 C ALA A 183 2.567 -4.904 0.993 1.00 0.00 C ATOM 630 O ALA A 183 1.366 -4.946 0.806 1.00 0.00 O ATOM 631 CB ALA A 183 4.043 -5.017 -1.020 1.00 0.00 C ATOM 0 H ALA A 183 5.503 -3.996 0.756 1.00 0.00 H new ATOM 0 HA ALA A 183 2.922 -3.294 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.221 -5.432 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.699 -4.444 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.608 -5.828 -0.561 1.00 0.00 H new ATOM 637 N LEU A 184 3.125 -5.536 1.991 1.00 0.00 N ATOM 638 CA LEU A 184 2.290 -6.331 2.935 1.00 0.00 C ATOM 639 C LEU A 184 1.388 -5.383 3.722 1.00 0.00 C ATOM 640 O LEU A 184 0.221 -5.647 3.930 1.00 0.00 O ATOM 641 CB LEU A 184 3.195 -7.098 3.896 1.00 0.00 C ATOM 642 CG LEU A 184 2.452 -8.330 4.413 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.141 -7.898 5.072 1.00 0.00 C ATOM 644 CD2 LEU A 184 2.150 -9.273 3.247 1.00 0.00 C ATOM 0 H LEU A 184 4.125 -5.535 2.193 1.00 0.00 H new ATOM 0 HA LEU A 184 1.678 -7.041 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.112 -7.398 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.486 -6.458 4.729 1.00 0.00 H new ATOM 0 HG LEU A 184 3.073 -8.846 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.612 -8.777 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.356 -7.228 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 184 0.520 -7.380 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.620 -10.151 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.530 -8.758 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.084 -9.583 2.779 1.00 0.00 H new ATOM 656 N ALA A 185 1.919 -4.273 4.151 1.00 0.00 N ATOM 657 CA ALA A 185 1.091 -3.298 4.912 1.00 0.00 C ATOM 658 C ALA A 185 0.050 -2.699 3.968 1.00 0.00 C ATOM 659 O ALA A 185 -0.983 -2.214 4.385 1.00 0.00 O ATOM 660 CB ALA A 185 1.986 -2.185 5.464 1.00 0.00 C ATOM 0 H ALA A 185 2.891 -3.999 4.007 1.00 0.00 H new ATOM 0 HA ALA A 185 0.595 -3.799 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.378 -1.472 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.737 -2.617 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.481 -1.673 4.639 1.00 0.00 H new ATOM 666 N TYR A 186 0.318 -2.739 2.691 1.00 0.00 N ATOM 667 CA TYR A 186 -0.647 -2.185 1.702 1.00 0.00 C ATOM 668 C TYR A 186 -1.797 -3.175 1.511 1.00 0.00 C ATOM 669 O TYR A 186 -2.923 -2.794 1.258 1.00 0.00 O ATOM 670 CB TYR A 186 0.074 -1.978 0.369 1.00 0.00 C ATOM 671 CG TYR A 186 -0.925 -1.604 -0.698 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.786 -2.575 -1.220 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.986 -0.287 -1.168 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.712 -2.230 -2.211 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.910 0.061 -2.161 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.775 -0.912 -2.683 1.00 0.00 C ATOM 677 OH TYR A 186 -3.686 -0.571 -3.662 1.00 0.00 O ATOM 0 H TYR A 186 1.168 -3.134 2.290 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.042 -1.234 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.825 -1.194 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.601 -2.889 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.736 -3.591 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.320 0.461 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.378 -2.980 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.957 1.077 -2.524 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.598 0.382 -3.873 1.00 0.00 H new ATOM 687 N ASP A 187 -1.520 -4.445 1.626 1.00 0.00 N ATOM 688 CA ASP A 187 -2.586 -5.468 1.452 1.00 0.00 C ATOM 689 C ASP A 187 -3.590 -5.363 2.600 1.00 0.00 C ATOM 690 O ASP A 187 -4.786 -5.464 2.406 1.00 0.00 O ATOM 691 CB ASP A 187 -1.945 -6.857 1.462 1.00 0.00 C ATOM 692 CG ASP A 187 -1.151 -7.073 0.172 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.309 -6.279 -0.741 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.398 -8.032 0.118 1.00 0.00 O ATOM 0 H ASP A 187 -0.594 -4.819 1.834 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.104 -5.304 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.287 -6.957 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.715 -7.622 1.558 1.00 0.00 H new ATOM 699 N ARG A 188 -3.112 -5.167 3.798 1.00 0.00 N ATOM 700 CA ARG A 188 -4.036 -5.061 4.965 1.00 0.00 C ATOM 701 C ARG A 188 -4.824 -3.752 4.887 1.00 0.00 C ATOM 702 O ARG A 188 -5.980 -3.691 5.257 1.00 0.00 O ATOM 703 CB ARG A 188 -3.226 -5.087 6.263 1.00 0.00 C ATOM 704 CG ARG A 188 -4.176 -5.030 7.460 1.00 0.00 C ATOM 705 CD ARG A 188 -3.442 -4.442 8.667 1.00 0.00 C ATOM 706 NE ARG A 188 -2.996 -5.545 9.562 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.519 -5.273 10.746 1.00 0.00 C ATOM 708 NH1 ARG A 188 -1.285 -4.871 10.875 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.279 -5.404 11.799 1.00 0.00 N ATOM 0 H ARG A 188 -2.121 -5.075 4.020 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.730 -5.902 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.621 -5.993 6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.538 -4.242 6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -5.047 -4.420 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.542 -6.029 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.583 -3.859 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -4.099 -3.762 9.210 1.00 0.00 H new ATOM 0 HE ARG A 188 -3.063 -6.514 9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -0.693 -4.769 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -0.912 -4.658 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -4.244 -5.718 11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.908 -5.192 12.725 1.00 0.00 H new ATOM 723 N ALA A 189 -4.210 -2.705 4.417 1.00 0.00 N ATOM 724 CA ALA A 189 -4.927 -1.400 4.325 1.00 0.00 C ATOM 725 C ALA A 189 -5.862 -1.411 3.115 1.00 0.00 C ATOM 726 O ALA A 189 -6.838 -0.689 3.068 1.00 0.00 O ATOM 727 CB ALA A 189 -3.910 -0.267 4.171 1.00 0.00 C ATOM 0 H ALA A 189 -3.243 -2.694 4.092 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.510 -1.245 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.435 0.686 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.245 -0.255 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.325 -0.424 3.265 1.00 0.00 H new ATOM 733 N ALA A 190 -5.576 -2.224 2.137 1.00 0.00 N ATOM 734 CA ALA A 190 -6.453 -2.277 0.935 1.00 0.00 C ATOM 735 C ALA A 190 -7.617 -3.232 1.198 1.00 0.00 C ATOM 736 O ALA A 190 -8.678 -3.102 0.626 1.00 0.00 O ATOM 737 CB ALA A 190 -5.647 -2.773 -0.268 1.00 0.00 C ATOM 0 H ALA A 190 -4.774 -2.853 2.118 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.840 -1.280 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.291 -2.811 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.817 -2.092 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.258 -3.770 -0.060 1.00 0.00 H new ATOM 743 N PHE A 191 -7.427 -4.192 2.060 1.00 0.00 N ATOM 744 CA PHE A 191 -8.524 -5.154 2.359 1.00 0.00 C ATOM 745 C PHE A 191 -9.465 -4.548 3.402 1.00 0.00 C ATOM 746 O PHE A 191 -10.619 -4.915 3.501 1.00 0.00 O ATOM 747 CB PHE A 191 -7.925 -6.453 2.903 1.00 0.00 C ATOM 748 CG PHE A 191 -8.826 -7.613 2.557 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.674 -8.277 1.332 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.813 -8.028 3.460 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.510 -9.355 1.011 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.649 -9.106 3.140 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.496 -9.770 1.915 1.00 0.00 C ATOM 0 H PHE A 191 -6.559 -4.352 2.571 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.083 -5.365 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.933 -6.612 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.804 -6.384 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.913 -7.958 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.930 -7.517 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.394 -9.866 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.410 -9.425 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 191 -11.139 -10.602 1.668 1.00 0.00 H new ATOM 763 N ARG A 192 -8.980 -3.620 4.179 1.00 0.00 N ATOM 764 CA ARG A 192 -9.843 -2.987 5.216 1.00 0.00 C ATOM 765 C ARG A 192 -10.749 -1.946 4.558 1.00 0.00 C ATOM 766 O ARG A 192 -11.926 -1.856 4.847 1.00 0.00 O ATOM 767 CB ARG A 192 -8.957 -2.304 6.258 1.00 0.00 C ATOM 768 CG ARG A 192 -9.565 -2.487 7.650 1.00 0.00 C ATOM 769 CD ARG A 192 -9.767 -1.119 8.302 1.00 0.00 C ATOM 770 NE ARG A 192 -10.413 -1.294 9.633 1.00 0.00 N ATOM 771 CZ ARG A 192 -10.968 -0.273 10.227 1.00 0.00 C ATOM 772 NH1 ARG A 192 -10.224 0.621 10.820 1.00 0.00 N ATOM 773 NH2 ARG A 192 -12.267 -0.145 10.230 1.00 0.00 N ATOM 0 H ARG A 192 -8.022 -3.272 4.141 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.456 -3.749 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -7.953 -2.728 6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.861 -1.243 6.029 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.518 -3.011 7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -8.910 -3.102 8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.808 -0.613 8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.387 -0.489 7.665 1.00 0.00 H new ATOM 0 HE ARG A 192 -10.422 -2.211 10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.209 0.522 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -10.658 1.419 11.284 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -12.849 -0.843 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -12.700 0.653 10.695 1.00 0.00 H new ATOM 787 N MET A 193 -10.204 -1.156 3.679 1.00 0.00 N ATOM 788 CA MET A 193 -11.022 -0.110 3.000 1.00 0.00 C ATOM 789 C MET A 193 -11.926 -0.754 1.946 1.00 0.00 C ATOM 790 O MET A 193 -13.021 -0.292 1.692 1.00 0.00 O ATOM 791 CB MET A 193 -10.093 0.898 2.323 1.00 0.00 C ATOM 792 CG MET A 193 -9.715 1.991 3.324 1.00 0.00 C ATOM 793 SD MET A 193 -7.945 1.888 3.691 1.00 0.00 S ATOM 794 CE MET A 193 -7.371 2.927 2.326 1.00 0.00 C ATOM 0 H MET A 193 -9.224 -1.188 3.399 1.00 0.00 H new ATOM 0 HA MET A 193 -11.641 0.397 3.740 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.196 0.396 1.960 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.585 1.338 1.456 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.956 2.972 2.915 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.294 1.876 4.240 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.308 3.135 2.449 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.533 2.408 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.926 3.865 2.325 1.00 0.00 H new ATOM 804 N ARG A 194 -11.483 -1.815 1.331 1.00 0.00 N ATOM 805 CA ARG A 194 -12.327 -2.476 0.296 1.00 0.00 C ATOM 806 C ARG A 194 -13.080 -3.645 0.930 1.00 0.00 C ATOM 807 O ARG A 194 -14.007 -4.184 0.359 1.00 0.00 O ATOM 808 CB ARG A 194 -11.440 -2.986 -0.841 1.00 0.00 C ATOM 809 CG ARG A 194 -11.418 -1.955 -1.970 1.00 0.00 C ATOM 810 CD ARG A 194 -10.932 -2.618 -3.259 1.00 0.00 C ATOM 811 NE ARG A 194 -11.527 -1.917 -4.433 1.00 0.00 N ATOM 812 CZ ARG A 194 -12.447 -2.507 -5.147 1.00 0.00 C ATOM 813 NH1 ARG A 194 -12.106 -3.306 -6.120 1.00 0.00 N ATOM 814 NH2 ARG A 194 -13.709 -2.295 -4.888 1.00 0.00 N ATOM 0 H ARG A 194 -10.577 -2.252 1.499 1.00 0.00 H new ATOM 0 HA ARG A 194 -13.043 -1.759 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.428 -3.163 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.817 -3.939 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -12.415 -1.539 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.762 -1.125 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.844 -2.580 -3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.215 -3.671 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.215 -0.977 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.120 -3.470 -6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -12.825 -3.767 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.976 -1.669 -4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -14.428 -2.756 -5.445 1.00 0.00 H new ATOM 828 N GLY A 195 -12.691 -4.038 2.112 1.00 0.00 N ATOM 829 CA GLY A 195 -13.388 -5.167 2.789 1.00 0.00 C ATOM 830 C GLY A 195 -12.982 -6.494 2.144 1.00 0.00 C ATOM 831 O GLY A 195 -11.815 -6.820 2.050 1.00 0.00 O ATOM 0 H GLY A 195 -11.920 -3.626 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.137 -5.177 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.468 -5.034 2.718 1.00 0.00 H new ATOM 835 N SER A 196 -13.940 -7.265 1.705 1.00 0.00 N ATOM 836 CA SER A 196 -13.620 -8.577 1.074 1.00 0.00 C ATOM 837 C SER A 196 -12.994 -8.355 -0.305 1.00 0.00 C ATOM 838 O SER A 196 -12.947 -7.250 -0.808 1.00 0.00 O ATOM 839 CB SER A 196 -14.904 -9.392 0.920 1.00 0.00 C ATOM 840 OG SER A 196 -15.797 -9.065 1.977 1.00 0.00 O ATOM 0 H SER A 196 -14.934 -7.041 1.757 1.00 0.00 H new ATOM 0 HA SER A 196 -12.914 -9.115 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.369 -9.181 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.676 -10.458 0.937 1.00 0.00 H new ATOM 0 HG SER A 196 -16.622 -9.585 1.880 1.00 0.00 H new ATOM 846 N ARG A 197 -12.518 -9.403 -0.920 1.00 0.00 N ATOM 847 CA ARG A 197 -11.899 -9.265 -2.268 1.00 0.00 C ATOM 848 C ARG A 197 -10.794 -8.200 -2.221 1.00 0.00 C ATOM 849 O ARG A 197 -9.814 -8.352 -1.519 1.00 0.00 O ATOM 850 CB ARG A 197 -12.980 -8.874 -3.280 1.00 0.00 C ATOM 851 CG ARG A 197 -13.895 -10.073 -3.534 1.00 0.00 C ATOM 852 CD ARG A 197 -13.815 -10.476 -5.007 1.00 0.00 C ATOM 853 NE ARG A 197 -15.187 -10.505 -5.589 1.00 0.00 N ATOM 854 CZ ARG A 197 -15.911 -11.588 -5.499 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.430 -12.731 -5.905 1.00 0.00 N ATOM 856 NH2 ARG A 197 -17.117 -11.526 -5.002 1.00 0.00 N ATOM 0 H ARG A 197 -12.531 -10.352 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.454 -10.213 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.561 -8.033 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.520 -8.549 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -13.599 -10.910 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.922 -9.822 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -13.191 -9.770 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -13.347 -11.456 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.560 -9.679 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.488 -12.779 -6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.996 -13.577 -5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -17.492 -10.632 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -17.684 -12.371 -4.931 1.00 0.00 H new ATOM 870 N ALA A 198 -10.927 -7.127 -2.960 1.00 0.00 N ATOM 871 CA ALA A 198 -9.867 -6.081 -2.938 1.00 0.00 C ATOM 872 C ALA A 198 -8.575 -6.657 -3.523 1.00 0.00 C ATOM 873 O ALA A 198 -8.089 -7.682 -3.088 1.00 0.00 O ATOM 874 CB ALA A 198 -9.623 -5.633 -1.495 1.00 0.00 C ATOM 0 H ALA A 198 -11.719 -6.933 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.185 -5.225 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.847 -4.867 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.545 -5.225 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -9.303 -6.487 -0.898 1.00 0.00 H new ATOM 880 N LEU A 199 -8.017 -6.009 -4.509 1.00 0.00 N ATOM 881 CA LEU A 199 -6.760 -6.524 -5.123 1.00 0.00 C ATOM 882 C LEU A 199 -5.553 -6.034 -4.317 1.00 0.00 C ATOM 883 O LEU A 199 -5.424 -4.862 -4.025 1.00 0.00 O ATOM 884 CB LEU A 199 -6.652 -6.015 -6.562 1.00 0.00 C ATOM 885 CG LEU A 199 -8.033 -6.041 -7.219 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.888 -5.811 -8.725 1.00 0.00 C ATOM 887 CD2 LEU A 199 -8.688 -7.402 -6.973 1.00 0.00 C ATOM 0 H LEU A 199 -8.377 -5.146 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.777 -7.614 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.253 -5.001 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.957 -6.636 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.654 -5.254 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.873 -5.830 -9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.421 -4.842 -8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.267 -6.597 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -9.672 -7.422 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -8.066 -8.188 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -8.792 -7.567 -5.901 1.00 0.00 H new ATOM 899 N LEU A 200 -4.668 -6.924 -3.958 1.00 0.00 N ATOM 900 CA LEU A 200 -3.467 -6.511 -3.175 1.00 0.00 C ATOM 901 C LEU A 200 -2.209 -7.031 -3.872 1.00 0.00 C ATOM 902 O LEU A 200 -2.276 -7.880 -4.738 1.00 0.00 O ATOM 903 CB LEU A 200 -3.527 -7.089 -1.752 1.00 0.00 C ATOM 904 CG LEU A 200 -4.763 -7.979 -1.578 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.538 -8.943 -0.411 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.982 -7.103 -1.283 1.00 0.00 C ATOM 0 H LEU A 200 -4.724 -7.920 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.444 -5.423 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.625 -7.668 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.553 -6.277 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.933 -8.547 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.417 -9.576 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.668 -9.566 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.369 -8.374 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.862 -7.734 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.810 -6.536 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.144 -6.414 -2.112 1.00 0.00 H new ATOM 918 N ASN A 201 -1.059 -6.541 -3.493 1.00 0.00 N ATOM 919 CA ASN A 201 0.197 -7.033 -4.138 1.00 0.00 C ATOM 920 C ASN A 201 0.345 -8.519 -3.828 1.00 0.00 C ATOM 921 O ASN A 201 0.879 -9.280 -4.610 1.00 0.00 O ATOM 922 CB ASN A 201 1.423 -6.290 -3.589 1.00 0.00 C ATOM 923 CG ASN A 201 1.020 -4.920 -3.043 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.280 -4.634 -1.799 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.465 -4.107 -3.753 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.933 -5.829 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 201 0.137 -6.858 -5.212 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.889 -6.880 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.166 -6.169 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.263 -4.334 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.201 -3.197 -3.376 1.00 0.00 H new ATOM 932 N PHE A 202 -0.124 -8.932 -2.684 1.00 0.00 N ATOM 933 CA PHE A 202 -0.017 -10.366 -2.302 1.00 0.00 C ATOM 934 C PHE A 202 -1.421 -10.934 -2.081 1.00 0.00 C ATOM 935 O PHE A 202 -1.851 -11.102 -0.957 1.00 0.00 O ATOM 936 CB PHE A 202 0.798 -10.478 -1.013 1.00 0.00 C ATOM 937 CG PHE A 202 2.054 -9.654 -1.145 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.690 -9.547 -2.386 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.586 -9.000 -0.027 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.859 -8.787 -2.512 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.754 -8.239 -0.151 1.00 0.00 C ATOM 942 CZ PHE A 202 4.391 -8.133 -1.394 1.00 0.00 C ATOM 0 H PHE A 202 -0.579 -8.334 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 202 0.477 -10.929 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.208 -10.130 -0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.052 -11.520 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.279 -10.051 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.095 -9.083 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.350 -8.705 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.164 -7.734 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.293 -7.547 -1.490 1.00 0.00 H new ATOM 952 N PRO A 203 -2.097 -11.210 -3.169 1.00 0.00 N ATOM 953 CA PRO A 203 -3.465 -11.757 -3.139 1.00 0.00 C ATOM 954 C PRO A 203 -3.438 -13.257 -2.829 1.00 0.00 C ATOM 955 O PRO A 203 -3.442 -14.085 -3.718 1.00 0.00 O ATOM 956 CB PRO A 203 -3.983 -11.507 -4.557 1.00 0.00 C ATOM 957 CG PRO A 203 -2.734 -11.364 -5.458 1.00 0.00 C ATOM 958 CD PRO A 203 -1.561 -11.000 -4.530 1.00 0.00 C ATOM 0 HA PRO A 203 -4.090 -11.299 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.611 -12.332 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.594 -10.605 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.532 -12.293 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.886 -10.591 -6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.693 -11.632 -4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.242 -9.968 -4.678 1.00 0.00 H new