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 -83:sc= 0.195 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ -120:sc= -0.0902 (180deg=-0.551) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.00084) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 138:sc=-0.00144 (180deg=-0.203) USER MOD Single : A 196 SER OG : rot 55:sc= -0.59! USER MOD Single : A 201 ASN :FLIP amide:sc= -5.72! C(o=-9.6!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.456 -3.253 -6.320 1.00 0.00 N ATOM 41 CA TYR A 146 4.085 -3.576 -5.838 1.00 0.00 C ATOM 42 C TYR A 146 3.141 -2.415 -6.163 1.00 0.00 C ATOM 43 O TYR A 146 3.553 -1.276 -6.257 1.00 0.00 O ATOM 44 CB TYR A 146 4.115 -3.798 -4.325 1.00 0.00 C ATOM 45 CG TYR A 146 4.889 -5.052 -4.007 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.526 -6.266 -4.603 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.962 -5.006 -3.105 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.235 -7.434 -4.300 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.671 -6.175 -2.804 1.00 0.00 C ATOM 50 CZ TYR A 146 6.307 -7.389 -3.400 1.00 0.00 C ATOM 51 OH TYR A 146 7.006 -8.540 -3.100 1.00 0.00 O ATOM 0 HA TYR A 146 3.732 -4.481 -6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.574 -2.941 -3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.098 -3.880 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.699 -6.301 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.241 -4.070 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.955 -8.370 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.499 -6.141 -2.112 1.00 0.00 H new ATOM 0 HH TYR A 146 6.529 -9.040 -2.405 1.00 0.00 H new ATOM 61 N ARG A 147 1.877 -2.696 -6.334 1.00 0.00 N ATOM 62 CA ARG A 147 0.909 -1.607 -6.650 1.00 0.00 C ATOM 63 C ARG A 147 0.671 -0.756 -5.401 1.00 0.00 C ATOM 64 O ARG A 147 -0.220 -1.021 -4.619 1.00 0.00 O ATOM 65 CB ARG A 147 -0.419 -2.219 -7.108 1.00 0.00 C ATOM 66 CG ARG A 147 -0.148 -3.379 -8.069 1.00 0.00 C ATOM 67 CD ARG A 147 -0.453 -4.706 -7.370 1.00 0.00 C ATOM 68 NE ARG A 147 0.113 -5.832 -8.167 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.075 -7.066 -7.781 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.157 -7.389 -7.128 1.00 0.00 N ATOM 71 NH2 ARG A 147 0.820 -7.977 -8.051 1.00 0.00 N ATOM 0 H ARG A 147 1.474 -3.631 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 147 1.316 -0.982 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.984 -2.573 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.029 -1.461 -7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.765 -3.276 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.892 -3.359 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.027 -4.707 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.530 -4.831 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 147 0.647 -5.639 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.857 -6.678 -6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.303 -8.353 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.666 -7.725 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.674 -8.941 -7.750 1.00 0.00 H new ATOM 85 N GLY A 148 1.462 0.265 -5.205 1.00 0.00 N ATOM 86 CA GLY A 148 1.276 1.130 -4.004 1.00 0.00 C ATOM 87 C GLY A 148 2.613 1.303 -3.283 1.00 0.00 C ATOM 88 O GLY A 148 2.850 2.298 -2.627 1.00 0.00 O ATOM 0 H GLY A 148 2.227 0.537 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.883 2.102 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.544 0.683 -3.331 1.00 0.00 H new ATOM 92 N VAL A 149 3.489 0.343 -3.395 1.00 0.00 N ATOM 93 CA VAL A 149 4.808 0.456 -2.710 1.00 0.00 C ATOM 94 C VAL A 149 5.784 1.225 -3.600 1.00 0.00 C ATOM 95 O VAL A 149 6.102 0.808 -4.696 1.00 0.00 O ATOM 96 CB VAL A 149 5.366 -0.942 -2.442 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.688 -0.829 -1.688 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.372 -1.738 -1.596 1.00 0.00 C ATOM 0 H VAL A 149 3.349 -0.514 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 149 4.679 0.986 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 149 5.528 -1.451 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.085 -1.826 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.401 -0.263 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.524 -0.317 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.772 -2.734 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.209 -1.226 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.426 -1.823 -2.130 1.00 0.00 H new ATOM 108 N ARG A 150 6.268 2.343 -3.135 1.00 0.00 N ATOM 109 CA ARG A 150 7.231 3.133 -3.951 1.00 0.00 C ATOM 110 C ARG A 150 8.646 2.885 -3.429 1.00 0.00 C ATOM 111 O ARG A 150 8.965 3.199 -2.299 1.00 0.00 O ATOM 112 CB ARG A 150 6.896 4.621 -3.841 1.00 0.00 C ATOM 113 CG ARG A 150 5.482 4.867 -4.371 1.00 0.00 C ATOM 114 CD ARG A 150 5.561 5.465 -5.776 1.00 0.00 C ATOM 115 NE ARG A 150 4.570 4.791 -6.661 1.00 0.00 N ATOM 116 CZ ARG A 150 4.693 4.873 -7.956 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.663 4.241 -8.561 1.00 0.00 N ATOM 118 NH2 ARG A 150 3.848 5.586 -8.649 1.00 0.00 N ATOM 0 H ARG A 150 6.038 2.743 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 150 7.166 2.829 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.968 4.945 -2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.616 5.210 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 150 4.923 3.932 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.945 5.544 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.361 6.536 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.566 5.342 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 150 3.796 4.266 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 150 6.324 3.683 -8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 150 5.759 4.305 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 150 3.090 6.080 -8.177 1.00 0.00 H new ATOM 0 HH22 ARG A 150 3.945 5.650 -9.662 1.00 0.00 H new ATOM 132 N GLN A 151 9.496 2.314 -4.237 1.00 0.00 N ATOM 133 CA GLN A 151 10.886 2.037 -3.780 1.00 0.00 C ATOM 134 C GLN A 151 11.737 3.301 -3.904 1.00 0.00 C ATOM 135 O GLN A 151 11.433 4.196 -4.667 1.00 0.00 O ATOM 136 CB GLN A 151 11.490 0.925 -4.640 1.00 0.00 C ATOM 137 CG GLN A 151 11.745 1.452 -6.053 1.00 0.00 C ATOM 138 CD GLN A 151 11.822 0.278 -7.029 1.00 0.00 C ATOM 139 OE1 GLN A 151 12.890 -0.084 -7.480 1.00 0.00 O ATOM 140 NE2 GLN A 151 10.726 -0.340 -7.378 1.00 0.00 N ATOM 0 H GLN A 151 9.288 2.027 -5.194 1.00 0.00 H new ATOM 0 HA GLN A 151 10.866 1.723 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.423 0.575 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.814 0.071 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.946 2.132 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.674 2.021 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 151 9.828 -0.038 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 151 10.768 -1.125 -8.028 1.00 0.00 H new ATOM 149 N ARG A 152 12.801 3.379 -3.154 1.00 0.00 N ATOM 150 CA ARG A 152 13.681 4.582 -3.218 1.00 0.00 C ATOM 151 C ARG A 152 15.104 4.150 -3.583 1.00 0.00 C ATOM 152 O ARG A 152 15.459 2.999 -3.423 1.00 0.00 O ATOM 153 CB ARG A 152 13.688 5.270 -1.850 1.00 0.00 C ATOM 154 CG ARG A 152 12.253 5.612 -1.444 1.00 0.00 C ATOM 155 CD ARG A 152 12.145 7.113 -1.163 1.00 0.00 C ATOM 156 NE ARG A 152 10.716 7.477 -0.948 1.00 0.00 N ATOM 157 CZ ARG A 152 9.935 7.683 -1.973 1.00 0.00 C ATOM 158 NH1 ARG A 152 9.897 8.858 -2.539 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.194 6.713 -2.433 1.00 0.00 N ATOM 0 H ARG A 152 13.101 2.659 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 152 13.309 5.274 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.142 4.617 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.292 6.177 -1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.562 5.329 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.969 5.044 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.734 7.372 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.554 7.681 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 152 10.349 7.565 -0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.478 9.616 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 152 9.286 9.019 -3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.225 5.794 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 152 8.583 6.874 -3.234 1.00 0.00 H new ATOM 173 N PRO A 153 15.881 5.089 -4.061 1.00 0.00 N ATOM 174 CA PRO A 153 17.278 4.836 -4.457 1.00 0.00 C ATOM 175 C PRO A 153 18.170 4.741 -3.215 1.00 0.00 C ATOM 176 O PRO A 153 19.328 4.385 -3.296 1.00 0.00 O ATOM 177 CB PRO A 153 17.641 6.057 -5.305 1.00 0.00 C ATOM 178 CG PRO A 153 16.662 7.182 -4.890 1.00 0.00 C ATOM 179 CD PRO A 153 15.444 6.489 -4.251 1.00 0.00 C ATOM 0 HA PRO A 153 17.410 3.900 -4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.674 6.357 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.548 5.834 -6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.134 7.866 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.362 7.774 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.173 6.954 -3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.568 6.549 -4.897 1.00 0.00 H new ATOM 187 N TRP A 154 17.635 5.057 -2.067 1.00 0.00 N ATOM 188 CA TRP A 154 18.449 4.986 -0.820 1.00 0.00 C ATOM 189 C TRP A 154 18.302 3.596 -0.194 1.00 0.00 C ATOM 190 O TRP A 154 19.181 3.122 0.498 1.00 0.00 O ATOM 191 CB TRP A 154 17.957 6.045 0.169 1.00 0.00 C ATOM 192 CG TRP A 154 19.107 6.898 0.597 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.570 7.974 -0.080 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.945 6.769 1.782 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.638 8.514 0.613 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.908 7.806 1.767 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.963 5.860 2.858 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.855 7.938 2.785 1.00 0.00 C ATOM 199 CZ3 TRP A 154 20.916 5.990 3.883 1.00 0.00 C ATOM 200 CH2 TRP A 154 21.860 7.027 3.846 1.00 0.00 C ATOM 0 H TRP A 154 16.670 5.361 -1.939 1.00 0.00 H new ATOM 0 HA TRP A 154 19.497 5.169 -1.058 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.186 6.661 -0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.503 5.565 1.036 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.171 8.350 -1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.162 9.335 0.309 1.00 0.00 H new ATOM 0 HE3 TRP A 154 19.240 5.058 2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.579 8.739 2.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 20.921 5.288 4.703 1.00 0.00 H new ATOM 0 HH2 TRP A 154 22.590 7.122 4.636 1.00 0.00 H new ATOM 211 N GLY A 155 17.199 2.940 -0.432 1.00 0.00 N ATOM 212 CA GLY A 155 17.001 1.582 0.150 1.00 0.00 C ATOM 213 C GLY A 155 15.760 1.582 1.043 1.00 0.00 C ATOM 214 O GLY A 155 15.707 0.900 2.048 1.00 0.00 O ATOM 0 H GLY A 155 16.428 3.285 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.888 0.847 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.878 1.292 0.729 1.00 0.00 H new ATOM 218 N LYS A 156 14.759 2.338 0.685 1.00 0.00 N ATOM 219 CA LYS A 156 13.524 2.380 1.514 1.00 0.00 C ATOM 220 C LYS A 156 12.299 2.215 0.613 1.00 0.00 C ATOM 221 O LYS A 156 12.411 2.129 -0.594 1.00 0.00 O ATOM 222 CB LYS A 156 13.447 3.721 2.245 1.00 0.00 C ATOM 223 CG LYS A 156 14.752 3.958 3.007 1.00 0.00 C ATOM 224 CD LYS A 156 14.580 5.137 3.967 1.00 0.00 C ATOM 225 CE LYS A 156 14.396 4.611 5.391 1.00 0.00 C ATOM 226 NZ LYS A 156 15.669 3.989 5.857 1.00 0.00 N ATOM 0 H LYS A 156 14.744 2.929 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 156 13.547 1.571 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.277 4.528 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.604 3.724 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.029 3.062 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.562 4.162 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 156 15.452 5.790 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.717 5.735 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.111 5.425 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 156 13.589 3.879 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.503 2.988 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 16.385 4.058 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 16.008 4.486 6.705 1.00 0.00 H new ATOM 240 N PHE A 157 11.129 2.168 1.188 1.00 0.00 N ATOM 241 CA PHE A 157 9.899 2.006 0.363 1.00 0.00 C ATOM 242 C PHE A 157 8.753 2.790 1.005 1.00 0.00 C ATOM 243 O PHE A 157 8.903 3.372 2.060 1.00 0.00 O ATOM 244 CB PHE A 157 9.522 0.524 0.296 1.00 0.00 C ATOM 245 CG PHE A 157 10.519 -0.215 -0.561 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.761 -0.583 -0.030 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.200 -0.539 -1.887 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.686 -1.273 -0.825 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.124 -1.228 -2.682 1.00 0.00 C ATOM 250 CZ PHE A 157 12.367 -1.596 -2.151 1.00 0.00 C ATOM 0 H PHE A 157 10.972 2.235 2.194 1.00 0.00 H new ATOM 0 HA PHE A 157 10.083 2.382 -0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.503 0.098 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.519 0.412 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.006 -0.335 0.992 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.241 -0.257 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.645 -1.556 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.879 -1.476 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.080 -2.129 -2.763 1.00 0.00 H new ATOM 260 N ALA A 158 7.606 2.805 0.382 1.00 0.00 N ATOM 261 CA ALA A 158 6.456 3.550 0.969 1.00 0.00 C ATOM 262 C ALA A 158 5.145 2.868 0.584 1.00 0.00 C ATOM 263 O ALA A 158 4.711 2.928 -0.550 1.00 0.00 O ATOM 264 CB ALA A 158 6.450 4.988 0.451 1.00 0.00 C ATOM 0 H ALA A 158 7.416 2.336 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 158 6.556 3.556 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.607 5.527 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.380 5.481 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.358 4.983 -0.635 1.00 0.00 H new ATOM 270 N ALA A 159 4.504 2.231 1.524 1.00 0.00 N ATOM 271 CA ALA A 159 3.213 1.559 1.218 1.00 0.00 C ATOM 272 C ALA A 159 2.101 2.608 1.224 1.00 0.00 C ATOM 273 O ALA A 159 1.710 3.108 2.262 1.00 0.00 O ATOM 274 CB ALA A 159 2.924 0.496 2.281 1.00 0.00 C ATOM 0 H ALA A 159 4.819 2.147 2.490 1.00 0.00 H new ATOM 0 HA ALA A 159 3.265 1.079 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.978 0.004 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.725 -0.243 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.863 0.969 3.261 1.00 0.00 H new ATOM 280 N GLU A 160 1.597 2.956 0.071 1.00 0.00 N ATOM 281 CA GLU A 160 0.517 3.979 0.009 1.00 0.00 C ATOM 282 C GLU A 160 -0.641 3.442 -0.837 1.00 0.00 C ATOM 283 O GLU A 160 -0.451 2.628 -1.719 1.00 0.00 O ATOM 284 CB GLU A 160 1.064 5.266 -0.623 1.00 0.00 C ATOM 285 CG GLU A 160 2.470 5.550 -0.085 1.00 0.00 C ATOM 286 CD GLU A 160 3.431 5.764 -1.255 1.00 0.00 C ATOM 287 OE1 GLU A 160 3.930 4.779 -1.774 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.654 6.910 -1.610 1.00 0.00 O ATOM 0 H GLU A 160 1.887 2.576 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 160 0.162 4.196 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.093 5.166 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.402 6.103 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.455 6.434 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.810 4.718 0.531 1.00 0.00 H new ATOM 295 N ILE A 161 -1.839 3.886 -0.573 1.00 0.00 N ATOM 296 CA ILE A 161 -3.007 3.396 -1.362 1.00 0.00 C ATOM 297 C ILE A 161 -3.979 4.550 -1.612 1.00 0.00 C ATOM 298 O ILE A 161 -4.091 5.464 -0.819 1.00 0.00 O ATOM 299 CB ILE A 161 -3.720 2.292 -0.580 1.00 0.00 C ATOM 300 CG1 ILE A 161 -4.902 1.769 -1.398 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.232 2.855 0.747 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.767 0.862 -0.522 1.00 0.00 C ATOM 0 H ILE A 161 -2.061 4.566 0.154 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.659 3.003 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.022 1.478 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.495 2.603 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.541 1.217 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.740 2.068 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.392 3.229 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.929 3.670 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.609 0.489 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.170 0.021 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.139 1.428 0.332 1.00 0.00 H new ATOM 314 N ARG A 162 -4.685 4.514 -2.708 1.00 0.00 N ATOM 315 CA ARG A 162 -5.652 5.607 -3.010 1.00 0.00 C ATOM 316 C ARG A 162 -6.996 5.295 -2.347 1.00 0.00 C ATOM 317 O ARG A 162 -7.403 4.155 -2.255 1.00 0.00 O ATOM 318 CB ARG A 162 -5.841 5.717 -4.525 1.00 0.00 C ATOM 319 CG ARG A 162 -6.303 7.130 -4.883 1.00 0.00 C ATOM 320 CD ARG A 162 -5.850 7.471 -6.304 1.00 0.00 C ATOM 321 NE ARG A 162 -6.877 7.004 -7.278 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.590 7.874 -7.942 1.00 0.00 C ATOM 323 NH1 ARG A 162 -7.011 8.903 -8.500 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.882 7.715 -8.047 1.00 0.00 N ATOM 0 H ARG A 162 -4.634 3.774 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.267 6.551 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.905 5.489 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.576 4.986 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.388 7.199 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -5.890 7.849 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.703 8.547 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.891 6.997 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.023 6.005 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.002 9.027 -8.417 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.568 9.582 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.334 6.912 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -9.439 8.394 -8.565 1.00 0.00 H new ATOM 338 N ASP A 163 -7.687 6.300 -1.884 1.00 0.00 N ATOM 339 CA ASP A 163 -9.001 6.059 -1.225 1.00 0.00 C ATOM 340 C ASP A 163 -10.010 7.114 -1.695 1.00 0.00 C ATOM 341 O ASP A 163 -10.018 8.221 -1.197 1.00 0.00 O ATOM 342 CB ASP A 163 -8.834 6.161 0.292 1.00 0.00 C ATOM 343 CG ASP A 163 -10.148 5.784 0.978 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.173 5.830 0.318 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.108 5.456 2.153 1.00 0.00 O ATOM 0 H ASP A 163 -7.399 7.277 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.363 5.065 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.035 5.499 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.545 7.175 0.569 1.00 0.00 H new ATOM 350 N PRO A 164 -10.835 6.736 -2.639 1.00 0.00 N ATOM 351 CA PRO A 164 -11.864 7.633 -3.191 1.00 0.00 C ATOM 352 C PRO A 164 -13.042 7.743 -2.220 1.00 0.00 C ATOM 353 O PRO A 164 -13.762 8.721 -2.208 1.00 0.00 O ATOM 354 CB PRO A 164 -12.284 6.942 -4.491 1.00 0.00 C ATOM 355 CG PRO A 164 -11.905 5.450 -4.334 1.00 0.00 C ATOM 356 CD PRO A 164 -10.822 5.387 -3.241 1.00 0.00 C ATOM 0 HA PRO A 164 -11.509 8.650 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.354 7.055 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.775 7.384 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.775 4.856 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.532 5.044 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.047 4.619 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.845 5.148 -3.662 1.00 0.00 H new ATOM 364 N ALA A 165 -13.240 6.745 -1.404 1.00 0.00 N ATOM 365 CA ALA A 165 -14.364 6.787 -0.432 1.00 0.00 C ATOM 366 C ALA A 165 -14.153 7.950 0.539 1.00 0.00 C ATOM 367 O ALA A 165 -15.047 8.333 1.268 1.00 0.00 O ATOM 368 CB ALA A 165 -14.411 5.474 0.349 1.00 0.00 C ATOM 0 H ALA A 165 -12.669 5.900 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.303 6.925 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.235 5.504 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.559 4.645 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.472 5.336 0.885 1.00 0.00 H new ATOM 374 N LYS A 166 -12.976 8.513 0.556 1.00 0.00 N ATOM 375 CA LYS A 166 -12.704 9.648 1.482 1.00 0.00 C ATOM 376 C LYS A 166 -12.680 10.961 0.697 1.00 0.00 C ATOM 377 O LYS A 166 -11.826 11.801 0.899 1.00 0.00 O ATOM 378 CB LYS A 166 -11.348 9.436 2.162 1.00 0.00 C ATOM 379 CG LYS A 166 -11.395 8.167 3.016 1.00 0.00 C ATOM 380 CD LYS A 166 -12.410 8.349 4.147 1.00 0.00 C ATOM 381 CE LYS A 166 -13.647 7.494 3.866 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.738 6.403 4.877 1.00 0.00 N ATOM 0 H LYS A 166 -12.190 8.236 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.489 9.694 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.562 9.352 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.103 10.297 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.671 7.311 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.408 7.957 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -11.965 8.061 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -12.692 9.399 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -14.544 8.112 3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.589 7.071 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -14.579 5.822 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -12.887 5.808 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -13.812 6.817 5.828 1.00 0.00 H new ATOM 396 N ASN A 167 -13.612 11.147 -0.198 1.00 0.00 N ATOM 397 CA ASN A 167 -13.639 12.408 -0.991 1.00 0.00 C ATOM 398 C ASN A 167 -12.331 12.554 -1.769 1.00 0.00 C ATOM 399 O ASN A 167 -11.604 13.515 -1.605 1.00 0.00 O ATOM 400 CB ASN A 167 -13.805 13.599 -0.045 1.00 0.00 C ATOM 401 CG ASN A 167 -15.236 13.627 0.494 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.447 13.650 1.691 1.00 0.00 O ATOM 403 ND2 ASN A 167 -16.236 13.624 -0.344 1.00 0.00 N ATOM 0 H ASN A 167 -14.354 10.481 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.474 12.378 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.096 13.524 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.585 14.528 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -17.194 13.641 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.060 13.605 -1.348 1.00 0.00 H new ATOM 410 N GLY A 168 -12.023 11.611 -2.616 1.00 0.00 N ATOM 411 CA GLY A 168 -10.760 11.699 -3.403 1.00 0.00 C ATOM 412 C GLY A 168 -9.615 12.135 -2.487 1.00 0.00 C ATOM 413 O GLY A 168 -9.226 13.286 -2.469 1.00 0.00 O ATOM 0 H GLY A 168 -12.591 10.783 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.532 10.733 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.877 12.411 -4.220 1.00 0.00 H new ATOM 417 N ALA A 169 -9.071 11.225 -1.727 1.00 0.00 N ATOM 418 CA ALA A 169 -7.951 11.590 -0.814 1.00 0.00 C ATOM 419 C ALA A 169 -6.907 10.472 -0.819 1.00 0.00 C ATOM 420 O ALA A 169 -7.226 9.313 -0.995 1.00 0.00 O ATOM 421 CB ALA A 169 -8.490 11.782 0.604 1.00 0.00 C ATOM 0 H ALA A 169 -9.353 10.245 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.491 12.518 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.671 12.049 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.234 12.579 0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.950 10.855 0.947 1.00 0.00 H new ATOM 427 N ARG A 170 -5.661 10.810 -0.630 1.00 0.00 N ATOM 428 CA ARG A 170 -4.599 9.764 -0.629 1.00 0.00 C ATOM 429 C ARG A 170 -4.468 9.165 0.772 1.00 0.00 C ATOM 430 O ARG A 170 -4.986 9.693 1.737 1.00 0.00 O ATOM 431 CB ARG A 170 -3.266 10.392 -1.039 1.00 0.00 C ATOM 432 CG ARG A 170 -3.234 10.573 -2.558 1.00 0.00 C ATOM 433 CD ARG A 170 -1.845 11.046 -2.985 1.00 0.00 C ATOM 434 NE ARG A 170 -1.980 12.109 -4.020 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.367 11.798 -5.226 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.590 11.090 -5.999 1.00 0.00 N ATOM 437 NH2 ARG A 170 -3.534 12.194 -5.658 1.00 0.00 N ATOM 0 H ARG A 170 -5.333 11.763 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.866 8.978 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -3.138 11.355 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.439 9.757 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.478 9.633 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.987 11.299 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.299 11.430 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.270 10.209 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.770 13.079 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -0.679 10.779 -5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.893 10.847 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -4.142 12.746 -5.052 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -3.838 11.951 -6.601 1.00 0.00 H new ATOM 451 N VAL A 171 -3.774 8.066 0.893 1.00 0.00 N ATOM 452 CA VAL A 171 -3.604 7.430 2.229 1.00 0.00 C ATOM 453 C VAL A 171 -2.188 6.858 2.335 1.00 0.00 C ATOM 454 O VAL A 171 -1.899 5.792 1.828 1.00 0.00 O ATOM 455 CB VAL A 171 -4.636 6.308 2.394 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.207 5.361 3.519 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.995 6.919 2.741 1.00 0.00 C ATOM 0 H VAL A 171 -3.316 7.580 0.121 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.754 8.170 3.015 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.707 5.748 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.946 4.568 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.238 4.924 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.131 5.917 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.732 6.124 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.914 7.481 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.308 7.588 1.940 1.00 0.00 H new ATOM 467 N TRP A 172 -1.302 7.557 2.992 1.00 0.00 N ATOM 468 CA TRP A 172 0.092 7.050 3.129 1.00 0.00 C ATOM 469 C TRP A 172 0.177 6.116 4.337 1.00 0.00 C ATOM 470 O TRP A 172 0.152 6.550 5.473 1.00 0.00 O ATOM 471 CB TRP A 172 1.045 8.231 3.327 1.00 0.00 C ATOM 472 CG TRP A 172 2.457 7.737 3.382 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.941 6.857 4.289 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.577 8.080 2.512 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.282 6.643 4.035 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.720 7.371 2.951 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.708 8.930 1.399 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.952 7.499 2.308 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.947 9.063 0.747 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.067 8.348 1.202 1.00 0.00 C ATOM 0 H TRP A 172 -1.484 8.456 3.439 1.00 0.00 H new ATOM 0 HA TRP A 172 0.372 6.504 2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.931 8.944 2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.798 8.759 4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.371 6.397 5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.876 6.021 4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.852 9.484 1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.810 6.947 2.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.038 9.718 -0.107 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.017 8.454 0.698 1.00 0.00 H new ATOM 491 N LEU A 173 0.276 4.835 4.103 1.00 0.00 N ATOM 492 CA LEU A 173 0.360 3.875 5.239 1.00 0.00 C ATOM 493 C LEU A 173 1.652 4.118 6.020 1.00 0.00 C ATOM 494 O LEU A 173 1.642 4.239 7.229 1.00 0.00 O ATOM 495 CB LEU A 173 0.342 2.444 4.699 1.00 0.00 C ATOM 496 CG LEU A 173 -0.887 2.256 3.808 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.759 0.949 3.023 1.00 0.00 C ATOM 498 CD2 LEU A 173 -2.143 2.208 4.680 1.00 0.00 C ATOM 0 H LEU A 173 0.302 4.413 3.175 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.492 4.020 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.251 2.246 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.320 1.732 5.524 1.00 0.00 H new ATOM 0 HG LEU A 173 -0.959 3.089 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.636 0.818 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.136 0.984 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.685 0.113 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -3.020 2.074 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -2.069 1.375 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.236 3.141 5.236 1.00 0.00 H new ATOM 510 N GLY A 174 2.765 4.194 5.344 1.00 0.00 N ATOM 511 CA GLY A 174 4.052 4.436 6.060 1.00 0.00 C ATOM 512 C GLY A 174 5.213 3.860 5.250 1.00 0.00 C ATOM 513 O GLY A 174 5.035 2.987 4.424 1.00 0.00 O ATOM 0 H GLY A 174 2.841 4.100 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.198 5.505 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.022 3.975 7.047 1.00 0.00 H new ATOM 517 N THR A 175 6.404 4.342 5.480 1.00 0.00 N ATOM 518 CA THR A 175 7.575 3.820 4.722 1.00 0.00 C ATOM 519 C THR A 175 7.993 2.476 5.313 1.00 0.00 C ATOM 520 O THR A 175 7.729 2.184 6.462 1.00 0.00 O ATOM 521 CB THR A 175 8.743 4.807 4.812 1.00 0.00 C ATOM 522 OG1 THR A 175 9.578 4.454 5.906 1.00 0.00 O ATOM 523 CG2 THR A 175 8.208 6.224 5.014 1.00 0.00 C ATOM 0 H THR A 175 6.616 5.073 6.159 1.00 0.00 H new ATOM 0 HA THR A 175 7.301 3.695 3.675 1.00 0.00 H new ATOM 0 HB THR A 175 9.319 4.769 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.326 5.084 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.042 6.922 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.571 6.496 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.629 6.266 5.936 1.00 0.00 H new ATOM 531 N PHE A 176 8.639 1.650 4.539 1.00 0.00 N ATOM 532 CA PHE A 176 9.059 0.324 5.065 1.00 0.00 C ATOM 533 C PHE A 176 10.537 0.088 4.752 1.00 0.00 C ATOM 534 O PHE A 176 11.170 0.868 4.069 1.00 0.00 O ATOM 535 CB PHE A 176 8.208 -0.766 4.417 1.00 0.00 C ATOM 536 CG PHE A 176 6.815 -0.694 4.988 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.902 0.251 4.499 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.439 -1.565 6.016 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.612 0.322 5.039 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.149 -1.496 6.555 1.00 0.00 C ATOM 541 CZ PHE A 176 4.234 -0.553 6.068 1.00 0.00 C ATOM 0 H PHE A 176 8.893 1.835 3.569 1.00 0.00 H new ATOM 0 HA PHE A 176 8.919 0.298 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.181 -0.631 3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.643 -1.747 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.194 0.924 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.144 -2.291 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.908 1.050 4.663 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.859 -2.170 7.347 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.239 -0.500 6.484 1.00 0.00 H new ATOM 551 N GLU A 177 11.096 -0.979 5.255 1.00 0.00 N ATOM 552 CA GLU A 177 12.535 -1.263 4.996 1.00 0.00 C ATOM 553 C GLU A 177 12.704 -1.873 3.602 1.00 0.00 C ATOM 554 O GLU A 177 13.709 -1.676 2.949 1.00 0.00 O ATOM 555 CB GLU A 177 13.056 -2.243 6.048 1.00 0.00 C ATOM 556 CG GLU A 177 14.554 -2.470 5.838 1.00 0.00 C ATOM 557 CD GLU A 177 15.289 -1.131 5.910 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.431 -0.499 4.876 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.697 -0.759 6.998 1.00 0.00 O ATOM 0 H GLU A 177 10.616 -1.667 5.835 1.00 0.00 H new ATOM 0 HA GLU A 177 13.100 -0.332 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.874 -1.850 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.520 -3.190 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.939 -3.150 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.729 -2.941 4.871 1.00 0.00 H new ATOM 566 N THR A 178 11.734 -2.615 3.140 1.00 0.00 N ATOM 567 CA THR A 178 11.854 -3.235 1.789 1.00 0.00 C ATOM 568 C THR A 178 10.500 -3.183 1.077 1.00 0.00 C ATOM 569 O THR A 178 9.496 -2.817 1.655 1.00 0.00 O ATOM 570 CB THR A 178 12.298 -4.696 1.925 1.00 0.00 C ATOM 571 OG1 THR A 178 11.152 -5.534 1.961 1.00 0.00 O ATOM 572 CG2 THR A 178 13.106 -4.879 3.213 1.00 0.00 C ATOM 0 H THR A 178 10.867 -2.818 3.637 1.00 0.00 H new ATOM 0 HA THR A 178 12.594 -2.684 1.209 1.00 0.00 H new ATOM 0 HB THR A 178 12.922 -4.963 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.433 -6.469 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.418 -5.920 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.987 -4.238 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.489 -4.610 4.071 1.00 0.00 H new ATOM 580 N ALA A 179 10.466 -3.550 -0.175 1.00 0.00 N ATOM 581 CA ALA A 179 9.182 -3.526 -0.926 1.00 0.00 C ATOM 582 C ALA A 179 8.288 -4.667 -0.443 1.00 0.00 C ATOM 583 O ALA A 179 7.088 -4.628 -0.595 1.00 0.00 O ATOM 584 CB ALA A 179 9.463 -3.706 -2.418 1.00 0.00 C ATOM 0 H ALA A 179 11.275 -3.866 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 179 8.682 -2.572 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.523 -3.689 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.104 -2.897 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.962 -4.661 -2.582 1.00 0.00 H new ATOM 590 N GLU A 180 8.866 -5.684 0.131 1.00 0.00 N ATOM 591 CA GLU A 180 8.048 -6.831 0.619 1.00 0.00 C ATOM 592 C GLU A 180 7.278 -6.419 1.874 1.00 0.00 C ATOM 593 O GLU A 180 6.140 -6.795 2.067 1.00 0.00 O ATOM 594 CB GLU A 180 8.970 -8.005 0.950 1.00 0.00 C ATOM 595 CG GLU A 180 8.139 -9.276 1.127 1.00 0.00 C ATOM 596 CD GLU A 180 9.071 -10.478 1.285 1.00 0.00 C ATOM 597 OE1 GLU A 180 10.203 -10.276 1.692 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.637 -11.582 0.995 1.00 0.00 O ATOM 0 H GLU A 180 9.871 -5.772 0.284 1.00 0.00 H new ATOM 0 HA GLU A 180 7.341 -7.127 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.700 -8.144 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.530 -7.795 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.496 -9.184 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.486 -9.419 0.266 1.00 0.00 H new ATOM 605 N ASP A 181 7.890 -5.649 2.729 1.00 0.00 N ATOM 606 CA ASP A 181 7.194 -5.215 3.970 1.00 0.00 C ATOM 607 C ASP A 181 6.154 -4.146 3.627 1.00 0.00 C ATOM 608 O ASP A 181 5.033 -4.185 4.095 1.00 0.00 O ATOM 609 CB ASP A 181 8.214 -4.635 4.952 1.00 0.00 C ATOM 610 CG ASP A 181 9.565 -5.330 4.767 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.568 -6.476 4.346 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.574 -4.705 5.050 1.00 0.00 O ATOM 0 H ASP A 181 8.843 -5.302 2.621 1.00 0.00 H new ATOM 0 HA ASP A 181 6.698 -6.072 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.321 -3.563 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.863 -4.768 5.975 1.00 0.00 H new ATOM 617 N ALA A 182 6.515 -3.193 2.813 1.00 0.00 N ATOM 618 CA ALA A 182 5.546 -2.123 2.443 1.00 0.00 C ATOM 619 C ALA A 182 4.363 -2.744 1.702 1.00 0.00 C ATOM 620 O ALA A 182 3.219 -2.433 1.967 1.00 0.00 O ATOM 621 CB ALA A 182 6.236 -1.096 1.542 1.00 0.00 C ATOM 0 H ALA A 182 7.438 -3.109 2.388 1.00 0.00 H new ATOM 0 HA ALA A 182 5.189 -1.627 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.526 -0.314 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.079 -0.654 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.595 -1.588 0.638 1.00 0.00 H new ATOM 627 N ALA A 183 4.629 -3.623 0.780 1.00 0.00 N ATOM 628 CA ALA A 183 3.518 -4.266 0.027 1.00 0.00 C ATOM 629 C ALA A 183 2.593 -4.977 1.012 1.00 0.00 C ATOM 630 O ALA A 183 1.384 -4.898 0.910 1.00 0.00 O ATOM 631 CB ALA A 183 4.085 -5.282 -0.966 1.00 0.00 C ATOM 0 H ALA A 183 5.567 -3.925 0.515 1.00 0.00 H new ATOM 0 HA ALA A 183 2.961 -3.506 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.268 -5.750 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.749 -4.775 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.643 -6.046 -0.426 1.00 0.00 H new ATOM 637 N LEU A 184 3.150 -5.671 1.969 1.00 0.00 N ATOM 638 CA LEU A 184 2.302 -6.386 2.962 1.00 0.00 C ATOM 639 C LEU A 184 1.379 -5.383 3.652 1.00 0.00 C ATOM 640 O LEU A 184 0.180 -5.565 3.718 1.00 0.00 O ATOM 641 CB LEU A 184 3.193 -7.060 4.006 1.00 0.00 C ATOM 642 CG LEU A 184 2.329 -7.881 4.964 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.821 -9.131 4.244 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.166 -8.297 6.176 1.00 0.00 C ATOM 0 H LEU A 184 4.156 -5.773 2.104 1.00 0.00 H new ATOM 0 HA LEU A 184 1.706 -7.143 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.922 -7.704 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.754 -6.308 4.560 1.00 0.00 H new ATOM 0 HG LEU A 184 1.482 -7.281 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 184 1.205 -9.718 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 184 1.227 -8.836 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.669 -9.731 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.551 -8.882 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 184 4.013 -8.898 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.532 -7.407 6.688 1.00 0.00 H new ATOM 656 N ALA A 185 1.934 -4.322 4.165 1.00 0.00 N ATOM 657 CA ALA A 185 1.096 -3.300 4.851 1.00 0.00 C ATOM 658 C ALA A 185 0.101 -2.706 3.852 1.00 0.00 C ATOM 659 O ALA A 185 -0.932 -2.186 4.223 1.00 0.00 O ATOM 660 CB ALA A 185 1.993 -2.188 5.399 1.00 0.00 C ATOM 0 H ALA A 185 2.933 -4.118 4.139 1.00 0.00 H new ATOM 0 HA ALA A 185 0.553 -3.766 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.380 -1.440 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.704 -2.611 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.536 -1.720 4.578 1.00 0.00 H new ATOM 666 N TYR A 186 0.406 -2.781 2.586 1.00 0.00 N ATOM 667 CA TYR A 186 -0.521 -2.223 1.563 1.00 0.00 C ATOM 668 C TYR A 186 -1.743 -3.127 1.436 1.00 0.00 C ATOM 669 O TYR A 186 -2.831 -2.674 1.155 1.00 0.00 O ATOM 670 CB TYR A 186 0.189 -2.148 0.212 1.00 0.00 C ATOM 671 CG TYR A 186 -0.810 -1.775 -0.854 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.696 -2.741 -1.345 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.856 -0.466 -1.348 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.628 -2.399 -2.333 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.788 -0.123 -2.336 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.674 -1.090 -2.829 1.00 0.00 C ATOM 677 OH TYR A 186 -3.592 -0.752 -3.803 1.00 0.00 O ATOM 0 H TYR A 186 1.257 -3.205 2.216 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.832 -1.224 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.991 -1.411 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.649 -3.107 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.661 -3.750 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.173 0.279 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.311 -3.145 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.824 0.887 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.490 0.195 -4.034 1.00 0.00 H new ATOM 687 N ASP A 187 -1.571 -4.402 1.639 1.00 0.00 N ATOM 688 CA ASP A 187 -2.720 -5.333 1.535 1.00 0.00 C ATOM 689 C ASP A 187 -3.652 -5.109 2.721 1.00 0.00 C ATOM 690 O ASP A 187 -4.848 -4.951 2.573 1.00 0.00 O ATOM 691 CB ASP A 187 -2.198 -6.767 1.565 1.00 0.00 C ATOM 692 CG ASP A 187 -1.074 -6.927 0.541 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.172 -6.327 -0.516 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.132 -7.646 0.832 1.00 0.00 O ATOM 0 H ASP A 187 -0.679 -4.838 1.873 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.262 -5.157 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.832 -7.010 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.007 -7.463 1.344 1.00 0.00 H new ATOM 699 N ARG A 188 -3.104 -5.103 3.898 1.00 0.00 N ATOM 700 CA ARG A 188 -3.935 -4.898 5.116 1.00 0.00 C ATOM 701 C ARG A 188 -4.804 -3.650 4.952 1.00 0.00 C ATOM 702 O ARG A 188 -5.939 -3.616 5.385 1.00 0.00 O ATOM 703 CB ARG A 188 -3.021 -4.728 6.332 1.00 0.00 C ATOM 704 CG ARG A 188 -3.770 -5.147 7.597 1.00 0.00 C ATOM 705 CD ARG A 188 -2.877 -6.058 8.442 1.00 0.00 C ATOM 706 NE ARG A 188 -2.003 -5.227 9.316 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.049 -5.371 10.612 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.937 -4.717 11.310 1.00 0.00 N ATOM 709 NH2 ARG A 188 -1.207 -6.168 11.210 1.00 0.00 N ATOM 0 H ARG A 188 -2.107 -5.232 4.073 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.580 -5.765 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.122 -5.333 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.698 -3.690 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.056 -4.266 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.691 -5.667 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.490 -6.723 9.050 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.268 -6.689 7.795 1.00 0.00 H new ATOM 0 HE ARG A 188 -1.368 -4.545 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.595 -4.093 10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -2.973 -4.830 12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -0.513 -6.679 10.664 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -1.243 -6.281 12.223 1.00 0.00 H new ATOM 723 N ALA A 189 -4.290 -2.622 4.336 1.00 0.00 N ATOM 724 CA ALA A 189 -5.106 -1.387 4.160 1.00 0.00 C ATOM 725 C ALA A 189 -5.915 -1.492 2.867 1.00 0.00 C ATOM 726 O ALA A 189 -6.941 -0.859 2.709 1.00 0.00 O ATOM 727 CB ALA A 189 -4.184 -0.167 4.089 1.00 0.00 C ATOM 0 H ALA A 189 -3.347 -2.582 3.949 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.784 -1.277 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.783 0.735 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.608 -0.092 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.503 -0.274 3.244 1.00 0.00 H new ATOM 733 N ALA A 190 -5.465 -2.296 1.946 1.00 0.00 N ATOM 734 CA ALA A 190 -6.208 -2.453 0.665 1.00 0.00 C ATOM 735 C ALA A 190 -7.132 -3.665 0.769 1.00 0.00 C ATOM 736 O ALA A 190 -7.744 -4.077 -0.195 1.00 0.00 O ATOM 737 CB ALA A 190 -5.215 -2.660 -0.480 1.00 0.00 C ATOM 0 H ALA A 190 -4.614 -2.852 2.025 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.799 -1.558 0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.759 -2.775 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.553 -1.797 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.624 -3.556 -0.291 1.00 0.00 H new ATOM 743 N PHE A 191 -7.241 -4.236 1.937 1.00 0.00 N ATOM 744 CA PHE A 191 -8.129 -5.414 2.115 1.00 0.00 C ATOM 745 C PHE A 191 -9.204 -5.053 3.134 1.00 0.00 C ATOM 746 O PHE A 191 -10.354 -5.424 3.008 1.00 0.00 O ATOM 747 CB PHE A 191 -7.306 -6.599 2.629 1.00 0.00 C ATOM 748 CG PHE A 191 -7.882 -7.909 2.156 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.104 -7.967 1.468 1.00 0.00 C ATOM 750 CD2 PHE A 191 -7.171 -9.077 2.418 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.607 -9.206 1.045 1.00 0.00 C ATOM 752 CE2 PHE A 191 -7.669 -10.315 1.998 1.00 0.00 C ATOM 753 CZ PHE A 191 -8.888 -10.381 1.310 1.00 0.00 C ATOM 0 H PHE A 191 -6.750 -3.934 2.778 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.590 -5.689 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.276 -6.506 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.281 -6.582 3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -9.655 -7.061 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -6.231 -9.027 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -10.547 -9.255 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -7.115 -11.219 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 191 -9.274 -11.336 0.984 1.00 0.00 H new ATOM 763 N ARG A 192 -8.833 -4.307 4.138 1.00 0.00 N ATOM 764 CA ARG A 192 -9.819 -3.888 5.165 1.00 0.00 C ATOM 765 C ARG A 192 -10.584 -2.686 4.626 1.00 0.00 C ATOM 766 O ARG A 192 -11.776 -2.547 4.815 1.00 0.00 O ATOM 767 CB ARG A 192 -9.078 -3.484 6.440 1.00 0.00 C ATOM 768 CG ARG A 192 -10.073 -2.917 7.454 1.00 0.00 C ATOM 769 CD ARG A 192 -9.402 -1.802 8.256 1.00 0.00 C ATOM 770 NE ARG A 192 -9.067 -2.305 9.618 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.523 -1.507 10.497 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.442 -0.227 10.257 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.057 -1.991 11.616 1.00 0.00 N ATOM 0 H ARG A 192 -7.882 -3.969 4.289 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.505 -4.705 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.564 -4.347 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.315 -2.741 6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.953 -2.531 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.416 -3.706 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.498 -1.467 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.066 -0.940 8.328 1.00 0.00 H new ATOM 0 HE ARG A 192 -9.263 -3.275 9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -8.804 0.152 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -8.017 0.395 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -8.118 -2.992 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.632 -1.368 12.303 1.00 0.00 H new ATOM 787 N MET A 193 -9.892 -1.815 3.949 1.00 0.00 N ATOM 788 CA MET A 193 -10.549 -0.609 3.380 1.00 0.00 C ATOM 789 C MET A 193 -11.288 -0.982 2.094 1.00 0.00 C ATOM 790 O MET A 193 -12.314 -0.418 1.772 1.00 0.00 O ATOM 791 CB MET A 193 -9.486 0.440 3.063 1.00 0.00 C ATOM 792 CG MET A 193 -10.165 1.758 2.689 1.00 0.00 C ATOM 793 SD MET A 193 -9.292 3.131 3.480 1.00 0.00 S ATOM 794 CE MET A 193 -7.732 2.966 2.576 1.00 0.00 C ATOM 0 H MET A 193 -8.892 -1.888 3.764 1.00 0.00 H new ATOM 0 HA MET A 193 -11.260 -0.209 4.103 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.835 0.586 3.925 1.00 0.00 H new ATOM 0 HB3 MET A 193 -8.856 0.098 2.242 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.162 1.887 1.607 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.208 1.745 3.006 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.367 3.954 2.296 1.00 0.00 H new ATOM 0 HE2 MET A 193 -6.995 2.473 3.210 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.894 2.371 1.677 1.00 0.00 H new ATOM 804 N ARG A 194 -10.776 -1.927 1.354 1.00 0.00 N ATOM 805 CA ARG A 194 -11.457 -2.326 0.091 1.00 0.00 C ATOM 806 C ARG A 194 -12.422 -3.472 0.381 1.00 0.00 C ATOM 807 O ARG A 194 -13.313 -3.754 -0.395 1.00 0.00 O ATOM 808 CB ARG A 194 -10.417 -2.784 -0.932 1.00 0.00 C ATOM 809 CG ARG A 194 -9.665 -1.568 -1.479 1.00 0.00 C ATOM 810 CD ARG A 194 -9.904 -1.457 -2.986 1.00 0.00 C ATOM 811 NE ARG A 194 -11.068 -0.564 -3.241 1.00 0.00 N ATOM 812 CZ ARG A 194 -11.781 -0.712 -4.325 1.00 0.00 C ATOM 813 NH1 ARG A 194 -11.195 -0.754 -5.490 1.00 0.00 N ATOM 814 NH2 ARG A 194 -13.080 -0.817 -4.244 1.00 0.00 N ATOM 0 H ARG A 194 -9.919 -2.438 1.568 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.006 -1.475 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -9.717 -3.479 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -10.905 -3.319 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.005 -0.661 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -8.599 -1.664 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.015 -1.062 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.090 -2.444 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 194 -11.309 0.164 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -10.180 -0.671 -5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.752 -0.870 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -13.539 -0.783 -3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -13.636 -0.933 -5.091 1.00 0.00 H new ATOM 828 N GLY A 195 -12.251 -4.133 1.493 1.00 0.00 N ATOM 829 CA GLY A 195 -13.158 -5.267 1.837 1.00 0.00 C ATOM 830 C GLY A 195 -13.413 -6.107 0.584 1.00 0.00 C ATOM 831 O GLY A 195 -12.636 -6.090 -0.350 1.00 0.00 O ATOM 0 H GLY A 195 -11.522 -3.937 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.710 -5.883 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.100 -4.887 2.233 1.00 0.00 H new ATOM 835 N SER A 196 -14.496 -6.836 0.550 1.00 0.00 N ATOM 836 CA SER A 196 -14.797 -7.668 -0.650 1.00 0.00 C ATOM 837 C SER A 196 -13.519 -8.366 -1.123 1.00 0.00 C ATOM 838 O SER A 196 -12.533 -8.423 -0.414 1.00 0.00 O ATOM 839 CB SER A 196 -15.334 -6.771 -1.766 1.00 0.00 C ATOM 840 OG SER A 196 -14.951 -5.426 -1.510 1.00 0.00 O ATOM 0 H SER A 196 -15.184 -6.891 1.301 1.00 0.00 H new ATOM 0 HA SER A 196 -15.545 -8.419 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.943 -7.096 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.420 -6.848 -1.820 1.00 0.00 H new ATOM 0 HG SER A 196 -13.979 -5.379 -1.396 1.00 0.00 H new ATOM 846 N ARG A 197 -13.524 -8.897 -2.316 1.00 0.00 N ATOM 847 CA ARG A 197 -12.307 -9.588 -2.830 1.00 0.00 C ATOM 848 C ARG A 197 -11.115 -8.633 -2.779 1.00 0.00 C ATOM 849 O ARG A 197 -10.112 -8.909 -2.152 1.00 0.00 O ATOM 850 CB ARG A 197 -12.542 -10.027 -4.278 1.00 0.00 C ATOM 851 CG ARG A 197 -13.012 -11.484 -4.302 1.00 0.00 C ATOM 852 CD ARG A 197 -12.280 -12.239 -5.415 1.00 0.00 C ATOM 853 NE ARG A 197 -12.397 -11.480 -6.693 1.00 0.00 N ATOM 854 CZ ARG A 197 -11.568 -11.721 -7.671 1.00 0.00 C ATOM 855 NH1 ARG A 197 -10.322 -11.346 -7.578 1.00 0.00 N ATOM 856 NH2 ARG A 197 -11.986 -12.337 -8.744 1.00 0.00 N ATOM 0 H ARG A 197 -14.318 -8.882 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 197 -12.100 -10.461 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.288 -9.386 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -11.623 -9.921 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.817 -11.956 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.089 -11.527 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.230 -12.368 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.704 -13.236 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 197 -13.124 -10.773 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -9.996 -10.864 -6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -9.674 -11.535 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -12.960 -12.630 -8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -11.338 -12.526 -9.509 1.00 0.00 H new ATOM 870 N ALA A 198 -11.216 -7.516 -3.440 1.00 0.00 N ATOM 871 CA ALA A 198 -10.086 -6.544 -3.438 1.00 0.00 C ATOM 872 C ALA A 198 -8.846 -7.214 -4.033 1.00 0.00 C ATOM 873 O ALA A 198 -8.869 -8.378 -4.383 1.00 0.00 O ATOM 874 CB ALA A 198 -9.793 -6.103 -2.002 1.00 0.00 C ATOM 0 H ALA A 198 -12.032 -7.232 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.351 -5.671 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.967 -5.392 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.679 -5.630 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -9.524 -6.972 -1.402 1.00 0.00 H new ATOM 880 N LEU A 199 -7.765 -6.495 -4.152 1.00 0.00 N ATOM 881 CA LEU A 199 -6.531 -7.101 -4.727 1.00 0.00 C ATOM 882 C LEU A 199 -5.307 -6.593 -3.962 1.00 0.00 C ATOM 883 O LEU A 199 -5.067 -5.404 -3.878 1.00 0.00 O ATOM 884 CB LEU A 199 -6.410 -6.712 -6.203 1.00 0.00 C ATOM 885 CG LEU A 199 -7.105 -7.765 -7.067 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.250 -7.239 -8.497 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.270 -9.046 -7.080 1.00 0.00 C ATOM 0 H LEU A 199 -7.682 -5.516 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.587 -8.186 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.861 -5.734 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.360 -6.631 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.092 -7.977 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -7.745 -7.990 -9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -7.845 -6.326 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -6.263 -7.026 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.765 -9.797 -7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.283 -8.833 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.166 -9.423 -6.062 1.00 0.00 H new ATOM 899 N LEU A 200 -4.533 -7.482 -3.404 1.00 0.00 N ATOM 900 CA LEU A 200 -3.324 -7.048 -2.644 1.00 0.00 C ATOM 901 C LEU A 200 -2.085 -7.719 -3.236 1.00 0.00 C ATOM 902 O LEU A 200 -2.163 -8.783 -3.818 1.00 0.00 O ATOM 903 CB LEU A 200 -3.443 -7.451 -1.166 1.00 0.00 C ATOM 904 CG LEU A 200 -4.842 -7.998 -0.871 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.873 -8.585 0.541 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.861 -6.862 -0.973 1.00 0.00 C ATOM 0 H LEU A 200 -4.684 -8.490 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.240 -5.964 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.693 -8.205 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.242 -6.589 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.089 -8.777 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.869 -8.975 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.144 -9.392 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.628 -7.807 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.859 -7.248 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.613 -6.085 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.838 -6.442 -1.979 1.00 0.00 H new ATOM 918 N ASN A 201 -0.938 -7.117 -3.079 1.00 0.00 N ATOM 919 CA ASN A 201 0.300 -7.749 -3.624 1.00 0.00 C ATOM 920 C ASN A 201 0.413 -9.152 -3.031 1.00 0.00 C ATOM 921 O ASN A 201 0.883 -10.075 -3.666 1.00 0.00 O ATOM 922 CB ASN A 201 1.550 -6.946 -3.233 1.00 0.00 C ATOM 923 CG ASN A 201 1.186 -5.494 -2.925 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.364 -5.046 -1.715 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.739 -4.765 -3.788 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.803 -6.225 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 201 0.237 -7.779 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.022 -7.400 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.278 -6.979 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.601 -5.120 -4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.502 -3.798 -3.566 1.00 0.00 H new ATOM 932 N PHE A 202 -0.027 -9.311 -1.811 1.00 0.00 N ATOM 933 CA PHE A 202 0.039 -10.645 -1.155 1.00 0.00 C ATOM 934 C PHE A 202 -1.377 -11.074 -0.754 1.00 0.00 C ATOM 935 O PHE A 202 -1.764 -10.939 0.390 1.00 0.00 O ATOM 936 CB PHE A 202 0.915 -10.559 0.099 1.00 0.00 C ATOM 937 CG PHE A 202 2.204 -9.843 -0.225 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.788 -9.988 -1.489 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.821 -9.042 0.744 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.987 -9.331 -1.786 1.00 0.00 C ATOM 941 CE2 PHE A 202 4.022 -8.385 0.448 1.00 0.00 C ATOM 942 CZ PHE A 202 4.606 -8.529 -0.817 1.00 0.00 C ATOM 0 H PHE A 202 -0.431 -8.569 -1.240 1.00 0.00 H new ATOM 0 HA PHE A 202 0.467 -11.372 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.383 -10.030 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.129 -11.560 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.313 -10.607 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.371 -8.931 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.436 -9.442 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.498 -7.767 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.532 -8.023 -1.046 1.00 0.00 H new ATOM 952 N PRO A 203 -2.110 -11.578 -1.715 1.00 0.00 N ATOM 953 CA PRO A 203 -3.495 -12.037 -1.500 1.00 0.00 C ATOM 954 C PRO A 203 -3.504 -13.396 -0.795 1.00 0.00 C ATOM 955 O PRO A 203 -3.375 -14.431 -1.417 1.00 0.00 O ATOM 956 CB PRO A 203 -4.060 -12.150 -2.919 1.00 0.00 C ATOM 957 CG PRO A 203 -2.843 -12.302 -3.862 1.00 0.00 C ATOM 958 CD PRO A 203 -1.626 -11.742 -3.101 1.00 0.00 C ATOM 0 HA PRO A 203 -4.077 -11.366 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.727 -13.008 -3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.643 -11.266 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.687 -13.347 -4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.003 -11.757 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.778 -12.425 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.295 -10.793 -3.522 1.00 0.00 H new