USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 156 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0616) USER MOD Single : A 166 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.265) USER MOD Single : A 167 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -124:sc= -1.03 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 177:sc= -0.167 (180deg=-0.178) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4! C(o=-9.6!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.642 -3.677 -6.466 1.00 0.00 N ATOM 41 CA TYR A 146 4.260 -3.935 -5.972 1.00 0.00 C ATOM 42 C TYR A 146 3.357 -2.756 -6.338 1.00 0.00 C ATOM 43 O TYR A 146 3.786 -1.619 -6.370 1.00 0.00 O ATOM 44 CB TYR A 146 4.284 -4.097 -4.452 1.00 0.00 C ATOM 45 CG TYR A 146 5.130 -5.288 -4.081 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.934 -6.515 -4.729 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.102 -5.170 -3.080 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.713 -7.623 -4.376 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.878 -6.278 -2.725 1.00 0.00 C ATOM 50 CZ TYR A 146 6.685 -7.506 -3.372 1.00 0.00 C ATOM 51 OH TYR A 146 7.451 -8.599 -3.021 1.00 0.00 O ATOM 0 HA TYR A 146 3.877 -4.846 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.684 -3.196 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.270 -4.227 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.183 -6.606 -5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.252 -4.223 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.565 -8.568 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.626 -6.187 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 146 8.076 -8.346 -2.310 1.00 0.00 H new ATOM 61 N ARG A 147 2.110 -3.017 -6.612 1.00 0.00 N ATOM 62 CA ARG A 147 1.179 -1.912 -6.974 1.00 0.00 C ATOM 63 C ARG A 147 0.895 -1.054 -5.739 1.00 0.00 C ATOM 64 O ARG A 147 0.083 -1.401 -4.903 1.00 0.00 O ATOM 65 CB ARG A 147 -0.131 -2.504 -7.497 1.00 0.00 C ATOM 66 CG ARG A 147 0.093 -3.086 -8.893 1.00 0.00 C ATOM 67 CD ARG A 147 0.093 -4.612 -8.815 1.00 0.00 C ATOM 68 NE ARG A 147 -0.241 -5.177 -10.153 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.378 -4.881 -10.720 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.362 -4.409 -10.002 1.00 0.00 N ATOM 71 NH2 ARG A 147 -1.532 -5.057 -12.005 1.00 0.00 N ATOM 0 H ARG A 147 1.694 -3.948 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 147 1.634 -1.292 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.487 -3.281 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.902 -1.734 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.690 -2.746 -9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.041 -2.732 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.070 -4.970 -8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.632 -4.949 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 147 0.419 -5.795 -10.625 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.241 -4.272 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.251 -4.177 -10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.763 -5.426 -12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.421 -4.826 -12.449 1.00 0.00 H new ATOM 85 N GLY A 148 1.554 0.065 -5.618 1.00 0.00 N ATOM 86 CA GLY A 148 1.317 0.947 -4.438 1.00 0.00 C ATOM 87 C GLY A 148 2.628 1.168 -3.681 1.00 0.00 C ATOM 88 O GLY A 148 2.857 2.216 -3.110 1.00 0.00 O ATOM 0 H GLY A 148 2.246 0.408 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.910 1.904 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.577 0.494 -3.777 1.00 0.00 H new ATOM 92 N VAL A 149 3.489 0.188 -3.665 1.00 0.00 N ATOM 93 CA VAL A 149 4.781 0.343 -2.937 1.00 0.00 C ATOM 94 C VAL A 149 5.725 1.236 -3.743 1.00 0.00 C ATOM 95 O VAL A 149 5.878 1.079 -4.939 1.00 0.00 O ATOM 96 CB VAL A 149 5.423 -1.031 -2.742 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.721 -0.883 -1.946 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.460 -1.938 -1.975 1.00 0.00 C ATOM 0 H VAL A 149 3.354 -0.713 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 149 4.594 0.801 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 149 5.642 -1.469 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.177 -1.863 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.409 -0.236 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.503 -0.444 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.916 -2.918 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.242 -1.497 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.534 -2.046 -2.540 1.00 0.00 H new ATOM 108 N ARG A 150 6.364 2.170 -3.094 1.00 0.00 N ATOM 109 CA ARG A 150 7.305 3.073 -3.812 1.00 0.00 C ATOM 110 C ARG A 150 8.695 2.943 -3.189 1.00 0.00 C ATOM 111 O ARG A 150 8.943 3.419 -2.099 1.00 0.00 O ATOM 112 CB ARG A 150 6.823 4.519 -3.684 1.00 0.00 C ATOM 113 CG ARG A 150 5.936 4.870 -4.879 1.00 0.00 C ATOM 114 CD ARG A 150 6.785 5.527 -5.969 1.00 0.00 C ATOM 115 NE ARG A 150 6.212 6.860 -6.306 1.00 0.00 N ATOM 116 CZ ARG A 150 6.182 7.803 -5.405 1.00 0.00 C ATOM 117 NH1 ARG A 150 7.202 7.977 -4.610 1.00 0.00 N ATOM 118 NH2 ARG A 150 5.132 8.569 -5.296 1.00 0.00 N ATOM 0 H ARG A 150 6.274 2.347 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 150 7.346 2.798 -4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.267 4.647 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.677 5.195 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.459 3.971 -5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.139 5.545 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 150 7.814 5.637 -5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.810 4.895 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 150 5.843 7.035 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 150 8.022 7.376 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 150 7.179 8.714 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.333 8.431 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 150 5.109 9.306 -4.591 1.00 0.00 H new ATOM 132 N GLN A 151 9.605 2.299 -3.867 1.00 0.00 N ATOM 133 CA GLN A 151 10.975 2.139 -3.305 1.00 0.00 C ATOM 134 C GLN A 151 11.751 3.447 -3.463 1.00 0.00 C ATOM 135 O GLN A 151 11.378 4.313 -4.229 1.00 0.00 O ATOM 136 CB GLN A 151 11.704 1.017 -4.048 1.00 0.00 C ATOM 137 CG GLN A 151 11.958 1.444 -5.495 1.00 0.00 C ATOM 138 CD GLN A 151 13.433 1.230 -5.837 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.931 0.123 -5.766 1.00 0.00 O ATOM 140 NE2 GLN A 151 14.160 2.249 -6.207 1.00 0.00 N ATOM 0 H GLN A 151 9.459 1.877 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 151 10.905 1.887 -2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.649 0.792 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 151 11.108 0.105 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.329 0.866 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.691 2.492 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.743 3.178 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 151 15.145 2.116 -6.436 1.00 0.00 H new ATOM 149 N ARG A 152 12.827 3.597 -2.741 1.00 0.00 N ATOM 150 CA ARG A 152 13.629 4.848 -2.846 1.00 0.00 C ATOM 151 C ARG A 152 15.055 4.503 -3.283 1.00 0.00 C ATOM 152 O ARG A 152 15.399 3.344 -3.416 1.00 0.00 O ATOM 153 CB ARG A 152 13.669 5.544 -1.486 1.00 0.00 C ATOM 154 CG ARG A 152 12.944 6.889 -1.578 1.00 0.00 C ATOM 155 CD ARG A 152 13.380 7.784 -0.415 1.00 0.00 C ATOM 156 NE ARG A 152 12.177 8.263 0.321 1.00 0.00 N ATOM 157 CZ ARG A 152 11.214 8.861 -0.325 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.488 9.616 -1.353 1.00 0.00 N ATOM 159 NH2 ARG A 152 9.975 8.701 0.057 1.00 0.00 N ATOM 0 H ARG A 152 13.186 2.906 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 152 13.173 5.512 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.197 4.916 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.702 5.697 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 152 13.171 7.373 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.865 6.736 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 152 14.035 7.231 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 152 13.952 8.633 -0.790 1.00 0.00 H new ATOM 0 HE ARG A 152 12.106 8.124 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 152 12.455 9.739 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.735 10.083 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.761 8.109 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 152 9.221 9.168 -0.447 1.00 0.00 H new ATOM 173 N PRO A 153 15.845 5.525 -3.493 1.00 0.00 N ATOM 174 CA PRO A 153 17.247 5.374 -3.919 1.00 0.00 C ATOM 175 C PRO A 153 18.139 4.995 -2.731 1.00 0.00 C ATOM 176 O PRO A 153 19.198 4.425 -2.898 1.00 0.00 O ATOM 177 CB PRO A 153 17.611 6.763 -4.452 1.00 0.00 C ATOM 178 CG PRO A 153 16.623 7.756 -3.793 1.00 0.00 C ATOM 179 CD PRO A 153 15.411 6.928 -3.327 1.00 0.00 C ATOM 0 HA PRO A 153 17.384 4.586 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.641 7.017 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.528 6.796 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.091 8.266 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.317 8.526 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.155 7.146 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.527 7.145 -3.926 1.00 0.00 H new ATOM 187 N TRP A 154 17.721 5.307 -1.534 1.00 0.00 N ATOM 188 CA TRP A 154 18.553 4.963 -0.346 1.00 0.00 C ATOM 189 C TRP A 154 18.275 3.519 0.075 1.00 0.00 C ATOM 190 O TRP A 154 19.171 2.703 0.162 1.00 0.00 O ATOM 191 CB TRP A 154 18.208 5.904 0.810 1.00 0.00 C ATOM 192 CG TRP A 154 19.149 5.663 1.948 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.063 4.634 2.822 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.310 6.446 2.350 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.098 4.734 3.733 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.893 5.835 3.485 1.00 0.00 C ATOM 197 CE3 TRP A 154 20.908 7.616 1.845 1.00 0.00 C ATOM 198 CZ2 TRP A 154 22.030 6.365 4.097 1.00 0.00 C ATOM 199 CZ3 TRP A 154 22.053 8.154 2.458 1.00 0.00 C ATOM 200 CH2 TRP A 154 22.612 7.528 3.583 1.00 0.00 C ATOM 0 H TRP A 154 16.843 5.783 -1.328 1.00 0.00 H new ATOM 0 HA TRP A 154 19.607 5.070 -0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 154 18.276 6.941 0.481 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.180 5.739 1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 154 18.309 3.861 2.810 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.255 4.075 4.495 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.484 8.104 0.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 22.458 5.880 4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 22.504 9.052 2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 154 23.491 7.944 4.052 1.00 0.00 H new ATOM 211 N GLY A 155 17.038 3.195 0.337 1.00 0.00 N ATOM 212 CA GLY A 155 16.704 1.803 0.753 1.00 0.00 C ATOM 213 C GLY A 155 15.401 1.806 1.554 1.00 0.00 C ATOM 214 O GLY A 155 15.248 1.073 2.512 1.00 0.00 O ATOM 0 H GLY A 155 16.245 3.834 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.602 1.165 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.512 1.389 1.356 1.00 0.00 H new ATOM 218 N LYS A 156 14.459 2.620 1.167 1.00 0.00 N ATOM 219 CA LYS A 156 13.165 2.668 1.901 1.00 0.00 C ATOM 220 C LYS A 156 12.016 2.556 0.899 1.00 0.00 C ATOM 221 O LYS A 156 12.171 2.844 -0.271 1.00 0.00 O ATOM 222 CB LYS A 156 13.054 3.994 2.658 1.00 0.00 C ATOM 223 CG LYS A 156 13.739 3.866 4.021 1.00 0.00 C ATOM 224 CD LYS A 156 14.321 5.221 4.433 1.00 0.00 C ATOM 225 CE LYS A 156 15.832 5.088 4.636 1.00 0.00 C ATOM 226 NZ LYS A 156 16.101 4.261 5.846 1.00 0.00 N ATOM 0 H LYS A 156 14.530 3.255 0.372 1.00 0.00 H new ATOM 0 HA LYS A 156 13.116 1.842 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.517 4.794 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.006 4.262 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.023 3.524 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.531 3.118 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.111 5.967 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.849 5.567 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.288 4.628 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 156 16.282 6.074 4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 17.094 4.377 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.479 4.568 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 15.917 3.260 5.630 1.00 0.00 H new ATOM 240 N PHE A 157 10.863 2.143 1.343 1.00 0.00 N ATOM 241 CA PHE A 157 9.709 2.017 0.408 1.00 0.00 C ATOM 242 C PHE A 157 8.526 2.807 0.965 1.00 0.00 C ATOM 243 O PHE A 157 8.624 3.438 1.999 1.00 0.00 O ATOM 244 CB PHE A 157 9.324 0.543 0.266 1.00 0.00 C ATOM 245 CG PHE A 157 10.460 -0.210 -0.379 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.663 -0.383 0.316 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.313 -0.735 -1.669 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.721 -1.082 -0.279 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.371 -1.434 -2.265 1.00 0.00 C ATOM 250 CZ PHE A 157 12.575 -1.607 -1.569 1.00 0.00 C ATOM 0 H PHE A 157 10.669 1.887 2.311 1.00 0.00 H new ATOM 0 HA PHE A 157 9.983 2.411 -0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.100 0.118 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.421 0.448 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.775 0.022 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.385 -0.601 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.649 -1.216 0.257 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.259 -1.839 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.391 -2.146 -2.028 1.00 0.00 H new ATOM 260 N ALA A 158 7.409 2.787 0.292 1.00 0.00 N ATOM 261 CA ALA A 158 6.235 3.550 0.801 1.00 0.00 C ATOM 262 C ALA A 158 4.937 2.828 0.444 1.00 0.00 C ATOM 263 O ALA A 158 4.518 2.811 -0.697 1.00 0.00 O ATOM 264 CB ALA A 158 6.221 4.944 0.176 1.00 0.00 C ATOM 0 H ALA A 158 7.259 2.280 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 158 6.313 3.630 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.362 5.501 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.138 5.471 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.153 4.856 -0.908 1.00 0.00 H new ATOM 270 N ALA A 159 4.287 2.249 1.414 1.00 0.00 N ATOM 271 CA ALA A 159 3.005 1.548 1.135 1.00 0.00 C ATOM 272 C ALA A 159 1.887 2.589 1.061 1.00 0.00 C ATOM 273 O ALA A 159 1.486 3.155 2.059 1.00 0.00 O ATOM 274 CB ALA A 159 2.711 0.553 2.259 1.00 0.00 C ATOM 0 H ALA A 159 4.589 2.231 2.388 1.00 0.00 H new ATOM 0 HA ALA A 159 3.071 1.007 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.772 0.040 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.518 -0.177 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.634 1.087 3.206 1.00 0.00 H new ATOM 280 N GLU A 160 1.389 2.857 -0.117 1.00 0.00 N ATOM 281 CA GLU A 160 0.306 3.871 -0.255 1.00 0.00 C ATOM 282 C GLU A 160 -0.841 3.288 -1.083 1.00 0.00 C ATOM 283 O GLU A 160 -0.631 2.509 -1.993 1.00 0.00 O ATOM 284 CB GLU A 160 0.854 5.116 -0.960 1.00 0.00 C ATOM 285 CG GLU A 160 2.241 5.452 -0.409 1.00 0.00 C ATOM 286 CD GLU A 160 3.247 5.516 -1.561 1.00 0.00 C ATOM 287 OE1 GLU A 160 3.367 4.531 -2.271 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.879 6.548 -1.713 1.00 0.00 O ATOM 0 H GLU A 160 1.686 2.417 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.059 4.142 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.911 4.942 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.178 5.958 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 160 2.213 6.406 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.549 4.698 0.315 1.00 0.00 H new ATOM 295 N ILE A 161 -2.053 3.661 -0.777 1.00 0.00 N ATOM 296 CA ILE A 161 -3.213 3.135 -1.548 1.00 0.00 C ATOM 297 C ILE A 161 -4.166 4.285 -1.874 1.00 0.00 C ATOM 298 O ILE A 161 -4.183 5.297 -1.201 1.00 0.00 O ATOM 299 CB ILE A 161 -3.950 2.085 -0.714 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.093 1.491 -1.542 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.523 2.740 0.545 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.779 0.380 -0.744 1.00 0.00 C ATOM 0 H ILE A 161 -2.290 4.308 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.858 2.679 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.255 1.295 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.814 2.268 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.707 1.094 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -5.048 1.991 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.712 3.167 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.218 3.530 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.593 -0.042 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.055 -0.401 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.179 0.791 0.183 1.00 0.00 H new ATOM 314 N ARG A 162 -4.958 4.141 -2.899 1.00 0.00 N ATOM 315 CA ARG A 162 -5.905 5.232 -3.261 1.00 0.00 C ATOM 316 C ARG A 162 -7.196 5.077 -2.455 1.00 0.00 C ATOM 317 O ARG A 162 -7.757 4.003 -2.362 1.00 0.00 O ATOM 318 CB ARG A 162 -6.228 5.160 -4.753 1.00 0.00 C ATOM 319 CG ARG A 162 -7.374 6.124 -5.071 1.00 0.00 C ATOM 320 CD ARG A 162 -7.215 6.658 -6.495 1.00 0.00 C ATOM 321 NE ARG A 162 -8.408 6.276 -7.302 1.00 0.00 N ATOM 322 CZ ARG A 162 -8.254 5.793 -8.503 1.00 0.00 C ATOM 323 NH1 ARG A 162 -8.052 4.513 -8.672 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.301 6.587 -9.537 1.00 0.00 N ATOM 0 H ARG A 162 -4.991 3.318 -3.500 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.447 6.195 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.347 5.419 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.507 4.143 -5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -8.331 5.613 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.376 6.950 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.105 7.742 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.310 6.253 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 162 -9.345 6.392 -6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -8.015 3.892 -7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.932 4.135 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -8.458 7.586 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.180 6.209 -10.476 1.00 0.00 H new ATOM 338 N ASP A 163 -7.672 6.143 -1.873 1.00 0.00 N ATOM 339 CA ASP A 163 -8.926 6.060 -1.075 1.00 0.00 C ATOM 340 C ASP A 163 -9.862 7.203 -1.482 1.00 0.00 C ATOM 341 O ASP A 163 -9.665 8.332 -1.078 1.00 0.00 O ATOM 342 CB ASP A 163 -8.589 6.184 0.412 1.00 0.00 C ATOM 343 CG ASP A 163 -9.782 5.712 1.246 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.889 6.131 0.949 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.569 4.942 2.167 1.00 0.00 O ATOM 0 H ASP A 163 -7.246 7.069 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.415 5.104 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.708 5.587 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.347 7.218 0.656 1.00 0.00 H new ATOM 350 N PRO A 164 -10.855 6.878 -2.272 1.00 0.00 N ATOM 351 CA PRO A 164 -11.839 7.864 -2.751 1.00 0.00 C ATOM 352 C PRO A 164 -12.848 8.176 -1.643 1.00 0.00 C ATOM 353 O PRO A 164 -13.427 9.243 -1.596 1.00 0.00 O ATOM 354 CB PRO A 164 -12.511 7.159 -3.932 1.00 0.00 C ATOM 355 CG PRO A 164 -12.291 5.643 -3.717 1.00 0.00 C ATOM 356 CD PRO A 164 -11.093 5.504 -2.759 1.00 0.00 C ATOM 0 HA PRO A 164 -11.396 8.818 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.574 7.396 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.076 7.484 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -13.182 5.178 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -12.090 5.142 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.317 4.824 -1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.217 5.106 -3.272 1.00 0.00 H new ATOM 364 N ALA A 165 -13.058 7.250 -0.749 1.00 0.00 N ATOM 365 CA ALA A 165 -14.019 7.484 0.359 1.00 0.00 C ATOM 366 C ALA A 165 -13.474 8.577 1.281 1.00 0.00 C ATOM 367 O ALA A 165 -14.196 9.163 2.062 1.00 0.00 O ATOM 368 CB ALA A 165 -14.203 6.190 1.154 1.00 0.00 C ATOM 0 H ALA A 165 -12.602 6.338 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 165 -14.979 7.798 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -14.908 6.360 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.589 5.411 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.244 5.876 1.565 1.00 0.00 H new ATOM 374 N LYS A 166 -12.201 8.856 1.194 1.00 0.00 N ATOM 375 CA LYS A 166 -11.606 9.908 2.065 1.00 0.00 C ATOM 376 C LYS A 166 -11.688 11.263 1.358 1.00 0.00 C ATOM 377 O LYS A 166 -10.895 12.150 1.603 1.00 0.00 O ATOM 378 CB LYS A 166 -10.140 9.569 2.348 1.00 0.00 C ATOM 379 CG LYS A 166 -10.066 8.462 3.402 1.00 0.00 C ATOM 380 CD LYS A 166 -8.741 8.566 4.161 1.00 0.00 C ATOM 381 CE LYS A 166 -8.491 7.268 4.934 1.00 0.00 C ATOM 382 NZ LYS A 166 -9.625 7.019 5.868 1.00 0.00 N ATOM 0 H LYS A 166 -11.548 8.400 0.557 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.156 9.954 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -9.647 9.246 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -9.612 10.456 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -10.902 8.549 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.148 7.485 2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -7.924 8.749 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -8.769 9.411 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -8.387 6.434 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.556 7.338 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.344 6.309 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -9.879 7.905 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -10.445 6.669 5.333 1.00 0.00 H new ATOM 396 N ASN A 167 -12.642 11.431 0.481 1.00 0.00 N ATOM 397 CA ASN A 167 -12.771 12.729 -0.238 1.00 0.00 C ATOM 398 C ASN A 167 -11.680 12.831 -1.306 1.00 0.00 C ATOM 399 O ASN A 167 -11.048 13.856 -1.466 1.00 0.00 O ATOM 400 CB ASN A 167 -12.619 13.880 0.759 1.00 0.00 C ATOM 401 CG ASN A 167 -13.312 15.128 0.207 1.00 0.00 C ATOM 402 OD1 ASN A 167 -12.670 15.999 -0.345 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.605 15.251 0.333 1.00 0.00 N ATOM 0 H ASN A 167 -13.336 10.726 0.233 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.750 12.786 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.055 13.604 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -11.563 14.085 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.077 16.079 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.144 14.520 0.796 1.00 0.00 H new ATOM 410 N GLY A 168 -11.456 11.775 -2.040 1.00 0.00 N ATOM 411 CA GLY A 168 -10.406 11.811 -3.098 1.00 0.00 C ATOM 412 C GLY A 168 -9.061 12.176 -2.466 1.00 0.00 C ATOM 413 O GLY A 168 -8.352 13.039 -2.945 1.00 0.00 O ATOM 0 H GLY A 168 -11.954 10.889 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.338 10.841 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.670 12.540 -3.864 1.00 0.00 H new ATOM 417 N ALA A 169 -8.703 11.524 -1.394 1.00 0.00 N ATOM 418 CA ALA A 169 -7.405 11.834 -0.733 1.00 0.00 C ATOM 419 C ALA A 169 -6.500 10.601 -0.784 1.00 0.00 C ATOM 420 O ALA A 169 -6.961 9.479 -0.734 1.00 0.00 O ATOM 421 CB ALA A 169 -7.656 12.218 0.727 1.00 0.00 C ATOM 0 H ALA A 169 -9.253 10.790 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.922 12.663 -1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -6.707 12.445 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.303 13.095 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.138 11.388 1.244 1.00 0.00 H new ATOM 427 N ARG A 170 -5.214 10.801 -0.881 1.00 0.00 N ATOM 428 CA ARG A 170 -4.282 9.639 -0.930 1.00 0.00 C ATOM 429 C ARG A 170 -4.119 9.061 0.476 1.00 0.00 C ATOM 430 O ARG A 170 -4.305 9.746 1.462 1.00 0.00 O ATOM 431 CB ARG A 170 -2.921 10.096 -1.460 1.00 0.00 C ATOM 432 CG ARG A 170 -3.003 10.291 -2.975 1.00 0.00 C ATOM 433 CD ARG A 170 -2.076 11.433 -3.397 1.00 0.00 C ATOM 434 NE ARG A 170 -2.727 12.225 -4.478 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.012 12.692 -5.466 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.415 13.847 -5.351 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.898 12.006 -6.570 1.00 0.00 N ATOM 0 H ARG A 170 -4.769 11.718 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.687 8.874 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.625 11.028 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.158 9.356 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.719 9.371 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -4.029 10.515 -3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.858 12.074 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.124 11.033 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 170 -3.731 12.402 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.507 14.385 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -0.857 14.212 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.367 11.105 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.340 12.371 -7.342 1.00 0.00 H new ATOM 451 N VAL A 171 -3.778 7.806 0.580 1.00 0.00 N ATOM 452 CA VAL A 171 -3.611 7.192 1.927 1.00 0.00 C ATOM 453 C VAL A 171 -2.194 6.630 2.068 1.00 0.00 C ATOM 454 O VAL A 171 -1.952 5.462 1.833 1.00 0.00 O ATOM 455 CB VAL A 171 -4.644 6.071 2.102 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.204 5.114 3.215 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.993 6.689 2.474 1.00 0.00 C ATOM 0 H VAL A 171 -3.608 7.181 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.766 7.948 2.697 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.730 5.515 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.945 4.323 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.241 4.674 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.112 5.663 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.733 5.899 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.894 7.245 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.315 7.364 1.681 1.00 0.00 H new ATOM 467 N TRP A 172 -1.257 7.449 2.460 1.00 0.00 N ATOM 468 CA TRP A 172 0.139 6.959 2.628 1.00 0.00 C ATOM 469 C TRP A 172 0.215 6.105 3.896 1.00 0.00 C ATOM 470 O TRP A 172 0.356 6.614 4.990 1.00 0.00 O ATOM 471 CB TRP A 172 1.090 8.154 2.754 1.00 0.00 C ATOM 472 CG TRP A 172 2.501 7.668 2.892 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.988 6.980 3.952 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.614 7.824 1.963 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.325 6.706 3.733 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.757 7.203 2.524 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.744 8.438 0.702 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.982 7.190 1.860 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.978 8.427 0.029 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.095 7.804 0.607 1.00 0.00 C ATOM 0 H TRP A 172 -1.399 8.437 2.671 1.00 0.00 H new ATOM 0 HA TRP A 172 0.429 6.362 1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.001 8.795 1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.817 8.758 3.620 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.423 6.692 4.826 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.919 6.197 4.388 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.890 8.920 0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.839 6.709 2.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.067 8.900 -0.938 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.041 7.798 0.086 1.00 0.00 H new ATOM 491 N LEU A 173 0.117 4.811 3.759 1.00 0.00 N ATOM 492 CA LEU A 173 0.181 3.932 4.960 1.00 0.00 C ATOM 493 C LEU A 173 1.442 4.262 5.755 1.00 0.00 C ATOM 494 O LEU A 173 1.401 4.451 6.955 1.00 0.00 O ATOM 495 CB LEU A 173 0.219 2.466 4.526 1.00 0.00 C ATOM 496 CG LEU A 173 -1.033 2.143 3.709 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.711 1.053 2.683 1.00 0.00 C ATOM 498 CD2 LEU A 173 -2.136 1.648 4.645 1.00 0.00 C ATOM 0 H LEU A 173 -0.004 4.326 2.870 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.700 4.098 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.113 2.275 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.272 1.818 5.401 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.368 3.041 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.605 0.825 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 173 0.076 1.403 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.375 0.154 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -3.029 1.417 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.798 0.751 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -2.368 2.423 5.376 1.00 0.00 H new ATOM 510 N GLY A 174 2.565 4.336 5.096 1.00 0.00 N ATOM 511 CA GLY A 174 3.829 4.659 5.818 1.00 0.00 C ATOM 512 C GLY A 174 5.011 4.005 5.104 1.00 0.00 C ATOM 513 O GLY A 174 4.871 2.987 4.457 1.00 0.00 O ATOM 0 H GLY A 174 2.663 4.187 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 174 3.969 5.739 5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.772 4.305 6.847 1.00 0.00 H new ATOM 517 N THR A 175 6.177 4.581 5.218 1.00 0.00 N ATOM 518 CA THR A 175 7.366 3.987 4.547 1.00 0.00 C ATOM 519 C THR A 175 7.674 2.630 5.180 1.00 0.00 C ATOM 520 O THR A 175 7.097 2.258 6.183 1.00 0.00 O ATOM 521 CB THR A 175 8.570 4.918 4.716 1.00 0.00 C ATOM 522 OG1 THR A 175 9.188 4.667 5.971 1.00 0.00 O ATOM 523 CG2 THR A 175 8.107 6.373 4.654 1.00 0.00 C ATOM 0 H THR A 175 6.356 5.435 5.746 1.00 0.00 H new ATOM 0 HA THR A 175 7.160 3.857 3.485 1.00 0.00 H new ATOM 0 HB THR A 175 9.286 4.735 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 175 9.960 5.261 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.966 7.034 4.775 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.635 6.564 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.390 6.561 5.453 1.00 0.00 H new ATOM 531 N PHE A 176 8.574 1.885 4.603 1.00 0.00 N ATOM 532 CA PHE A 176 8.909 0.552 5.175 1.00 0.00 C ATOM 533 C PHE A 176 10.399 0.270 4.977 1.00 0.00 C ATOM 534 O PHE A 176 11.136 1.100 4.484 1.00 0.00 O ATOM 535 CB PHE A 176 8.081 -0.523 4.469 1.00 0.00 C ATOM 536 CG PHE A 176 6.665 -0.478 4.987 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.731 0.393 4.407 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.285 -1.302 6.055 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.418 0.437 4.893 1.00 0.00 C ATOM 540 CE2 PHE A 176 4.972 -1.258 6.541 1.00 0.00 C ATOM 541 CZ PHE A 176 4.039 -0.389 5.960 1.00 0.00 C ATOM 0 H PHE A 176 9.091 2.141 3.762 1.00 0.00 H new ATOM 0 HA PHE A 176 8.682 0.543 6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.092 -0.358 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.514 -1.507 4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.024 1.030 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.005 -1.971 6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.698 1.107 4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.679 -1.894 7.363 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.027 -0.356 6.335 1.00 0.00 H new ATOM 551 N GLU A 177 10.850 -0.893 5.360 1.00 0.00 N ATOM 552 CA GLU A 177 12.294 -1.222 5.194 1.00 0.00 C ATOM 553 C GLU A 177 12.521 -1.859 3.822 1.00 0.00 C ATOM 554 O GLU A 177 13.579 -1.735 3.236 1.00 0.00 O ATOM 555 CB GLU A 177 12.724 -2.200 6.289 1.00 0.00 C ATOM 556 CG GLU A 177 13.927 -1.628 7.042 1.00 0.00 C ATOM 557 CD GLU A 177 15.205 -1.900 6.246 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.206 -2.837 5.465 1.00 0.00 O ATOM 559 OE2 GLU A 177 16.161 -1.165 6.431 1.00 0.00 O ATOM 0 H GLU A 177 10.282 -1.629 5.780 1.00 0.00 H new ATOM 0 HA GLU A 177 12.884 -0.309 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 177 11.899 -2.375 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.981 -3.164 5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.800 -0.556 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 177 13.999 -2.080 8.031 1.00 0.00 H new ATOM 566 N THR A 178 11.537 -2.540 3.304 1.00 0.00 N ATOM 567 CA THR A 178 11.698 -3.183 1.970 1.00 0.00 C ATOM 568 C THR A 178 10.381 -3.092 1.198 1.00 0.00 C ATOM 569 O THR A 178 9.363 -2.703 1.735 1.00 0.00 O ATOM 570 CB THR A 178 12.079 -4.654 2.154 1.00 0.00 C ATOM 571 OG1 THR A 178 10.900 -5.424 2.353 1.00 0.00 O ATOM 572 CG2 THR A 178 12.997 -4.799 3.367 1.00 0.00 C ATOM 0 H THR A 178 10.629 -2.679 3.747 1.00 0.00 H new ATOM 0 HA THR A 178 12.483 -2.671 1.413 1.00 0.00 H new ATOM 0 HB THR A 178 12.600 -5.009 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 178 10.973 -5.923 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.267 -5.847 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.900 -4.208 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.480 -4.445 4.259 1.00 0.00 H new ATOM 580 N ALA A 179 10.391 -3.448 -0.057 1.00 0.00 N ATOM 581 CA ALA A 179 9.140 -3.383 -0.858 1.00 0.00 C ATOM 582 C ALA A 179 8.189 -4.491 -0.406 1.00 0.00 C ATOM 583 O ALA A 179 6.988 -4.366 -0.509 1.00 0.00 O ATOM 584 CB ALA A 179 9.469 -3.568 -2.339 1.00 0.00 C ATOM 0 H ALA A 179 11.213 -3.781 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 179 8.666 -2.412 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.551 -3.520 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.147 -2.778 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.944 -4.538 -2.488 1.00 0.00 H new ATOM 590 N GLU A 180 8.718 -5.575 0.094 1.00 0.00 N ATOM 591 CA GLU A 180 7.839 -6.690 0.550 1.00 0.00 C ATOM 592 C GLU A 180 7.079 -6.261 1.806 1.00 0.00 C ATOM 593 O GLU A 180 5.949 -6.650 2.021 1.00 0.00 O ATOM 594 CB GLU A 180 8.691 -7.922 0.864 1.00 0.00 C ATOM 595 CG GLU A 180 7.779 -9.088 1.250 1.00 0.00 C ATOM 596 CD GLU A 180 8.618 -10.209 1.866 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.832 -10.086 1.864 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.032 -11.173 2.332 1.00 0.00 O ATOM 0 H GLU A 180 9.719 -5.737 0.206 1.00 0.00 H new ATOM 0 HA GLU A 180 7.128 -6.934 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.295 -8.190 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.382 -7.702 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.023 -8.753 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.250 -9.456 0.371 1.00 0.00 H new ATOM 605 N ASP A 181 7.686 -5.461 2.635 1.00 0.00 N ATOM 606 CA ASP A 181 6.994 -5.006 3.872 1.00 0.00 C ATOM 607 C ASP A 181 5.975 -3.927 3.505 1.00 0.00 C ATOM 608 O ASP A 181 4.871 -3.904 4.012 1.00 0.00 O ATOM 609 CB ASP A 181 8.015 -4.429 4.857 1.00 0.00 C ATOM 610 CG ASP A 181 9.383 -5.082 4.635 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.411 -6.218 4.193 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.379 -4.432 4.912 1.00 0.00 O ATOM 0 H ASP A 181 8.632 -5.102 2.510 1.00 0.00 H new ATOM 0 HA ASP A 181 6.488 -5.852 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.092 -3.350 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.682 -4.601 5.881 1.00 0.00 H new ATOM 617 N ALA A 182 6.335 -3.036 2.621 1.00 0.00 N ATOM 618 CA ALA A 182 5.383 -1.965 2.216 1.00 0.00 C ATOM 619 C ALA A 182 4.274 -2.579 1.362 1.00 0.00 C ATOM 620 O ALA A 182 3.187 -2.046 1.261 1.00 0.00 O ATOM 621 CB ALA A 182 6.122 -0.899 1.405 1.00 0.00 C ATOM 0 H ALA A 182 7.246 -3.004 2.163 1.00 0.00 H new ATOM 0 HA ALA A 182 4.951 -1.504 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.423 -0.117 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.916 -0.466 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.554 -1.354 0.514 1.00 0.00 H new ATOM 627 N ALA A 183 4.539 -3.702 0.753 1.00 0.00 N ATOM 628 CA ALA A 183 3.497 -4.355 -0.087 1.00 0.00 C ATOM 629 C ALA A 183 2.534 -5.115 0.823 1.00 0.00 C ATOM 630 O ALA A 183 1.333 -5.072 0.645 1.00 0.00 O ATOM 631 CB ALA A 183 4.152 -5.332 -1.066 1.00 0.00 C ATOM 0 H ALA A 183 5.431 -4.195 0.801 1.00 0.00 H new ATOM 0 HA ALA A 183 2.956 -3.596 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.383 -5.805 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.845 -4.791 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.695 -6.096 -0.509 1.00 0.00 H new ATOM 637 N LEU A 184 3.052 -5.803 1.805 1.00 0.00 N ATOM 638 CA LEU A 184 2.161 -6.554 2.729 1.00 0.00 C ATOM 639 C LEU A 184 1.293 -5.554 3.488 1.00 0.00 C ATOM 640 O LEU A 184 0.133 -5.798 3.755 1.00 0.00 O ATOM 641 CB LEU A 184 3.003 -7.370 3.712 1.00 0.00 C ATOM 642 CG LEU A 184 2.316 -8.714 3.967 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.305 -9.853 3.714 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.830 -8.773 5.417 1.00 0.00 C ATOM 0 H LEU A 184 4.050 -5.876 2.005 1.00 0.00 H new ATOM 0 HA LEU A 184 1.528 -7.238 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.003 -7.530 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.121 -6.825 4.648 1.00 0.00 H new ATOM 0 HG LEU A 184 1.465 -8.818 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.814 -10.809 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 184 3.649 -9.813 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 184 4.158 -9.750 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.341 -9.730 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 184 2.681 -8.667 6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.122 -7.964 5.597 1.00 0.00 H new ATOM 656 N ALA A 185 1.842 -4.417 3.820 1.00 0.00 N ATOM 657 CA ALA A 185 1.042 -3.390 4.539 1.00 0.00 C ATOM 658 C ALA A 185 0.025 -2.808 3.560 1.00 0.00 C ATOM 659 O ALA A 185 -1.057 -2.396 3.933 1.00 0.00 O ATOM 660 CB ALA A 185 1.962 -2.278 5.046 1.00 0.00 C ATOM 0 H ALA A 185 2.809 -4.157 3.624 1.00 0.00 H new ATOM 0 HA ALA A 185 0.533 -3.839 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.371 -1.528 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.702 -2.700 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.470 -1.813 4.201 1.00 0.00 H new ATOM 666 N TYR A 186 0.366 -2.786 2.301 1.00 0.00 N ATOM 667 CA TYR A 186 -0.569 -2.250 1.276 1.00 0.00 C ATOM 668 C TYR A 186 -1.802 -3.147 1.216 1.00 0.00 C ATOM 669 O TYR A 186 -2.912 -2.686 1.045 1.00 0.00 O ATOM 670 CB TYR A 186 0.125 -2.251 -0.087 1.00 0.00 C ATOM 671 CG TYR A 186 -0.857 -1.845 -1.158 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.785 -2.776 -1.645 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.839 -0.542 -1.668 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.694 -2.402 -2.642 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.748 -0.168 -2.665 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.675 -1.097 -3.153 1.00 0.00 C ATOM 677 OH TYR A 186 -3.571 -0.729 -4.137 1.00 0.00 O ATOM 0 H TYR A 186 1.259 -3.119 1.937 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.863 -1.233 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.971 -1.563 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.523 -3.242 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.799 -3.782 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.124 0.175 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.410 -3.119 -3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.734 0.838 -3.058 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.424 0.209 -4.379 1.00 0.00 H new ATOM 687 N ASP A 187 -1.611 -4.429 1.359 1.00 0.00 N ATOM 688 CA ASP A 187 -2.761 -5.366 1.316 1.00 0.00 C ATOM 689 C ASP A 187 -3.700 -5.068 2.483 1.00 0.00 C ATOM 690 O ASP A 187 -4.900 -4.974 2.324 1.00 0.00 O ATOM 691 CB ASP A 187 -2.233 -6.795 1.434 1.00 0.00 C ATOM 692 CG ASP A 187 -1.270 -7.079 0.279 1.00 0.00 C ATOM 693 OD1 ASP A 187 -0.979 -6.157 -0.464 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.840 -8.215 0.157 1.00 0.00 O ATOM 0 H ASP A 187 -0.702 -4.867 1.504 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.305 -5.249 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.723 -6.928 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.061 -7.503 1.414 1.00 0.00 H new ATOM 699 N ARG A 188 -3.157 -4.919 3.658 1.00 0.00 N ATOM 700 CA ARG A 188 -4.007 -4.628 4.847 1.00 0.00 C ATOM 701 C ARG A 188 -4.896 -3.415 4.566 1.00 0.00 C ATOM 702 O ARG A 188 -6.063 -3.398 4.905 1.00 0.00 O ATOM 703 CB ARG A 188 -3.110 -4.331 6.051 1.00 0.00 C ATOM 704 CG ARG A 188 -2.432 -5.621 6.515 1.00 0.00 C ATOM 705 CD ARG A 188 -3.466 -6.527 7.186 1.00 0.00 C ATOM 706 NE ARG A 188 -2.816 -7.282 8.292 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.519 -7.666 9.323 1.00 0.00 C ATOM 708 NH1 ARG A 188 -4.040 -6.778 10.124 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.700 -8.937 9.551 1.00 0.00 N ATOM 0 H ARG A 188 -2.157 -4.986 3.848 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.636 -5.493 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.358 -3.589 5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.701 -3.907 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -1.981 -6.133 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.627 -5.391 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -4.292 -5.930 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.888 -7.219 6.457 1.00 0.00 H new ATOM 0 HE ARG A 188 -1.821 -7.500 8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -3.898 -5.784 9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -4.589 -7.078 10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -3.292 -9.631 8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.249 -9.238 10.356 1.00 0.00 H new ATOM 723 N ALA A 189 -4.355 -2.399 3.955 1.00 0.00 N ATOM 724 CA ALA A 189 -5.172 -1.188 3.659 1.00 0.00 C ATOM 725 C ALA A 189 -5.984 -1.418 2.383 1.00 0.00 C ATOM 726 O ALA A 189 -6.950 -0.731 2.118 1.00 0.00 O ATOM 727 CB ALA A 189 -4.249 0.016 3.466 1.00 0.00 C ATOM 0 H ALA A 189 -3.383 -2.354 3.648 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.850 -0.996 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.847 0.902 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.672 0.181 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.570 -0.176 2.635 1.00 0.00 H new ATOM 733 N ALA A 190 -5.602 -2.383 1.595 1.00 0.00 N ATOM 734 CA ALA A 190 -6.352 -2.663 0.339 1.00 0.00 C ATOM 735 C ALA A 190 -7.447 -3.692 0.626 1.00 0.00 C ATOM 736 O ALA A 190 -8.253 -4.009 -0.225 1.00 0.00 O ATOM 737 CB ALA A 190 -5.392 -3.217 -0.715 1.00 0.00 C ATOM 0 H ALA A 190 -4.801 -2.991 1.767 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.803 -1.743 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -5.940 -3.422 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.609 -2.485 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -4.941 -4.139 -0.348 1.00 0.00 H new ATOM 743 N PHE A 191 -7.483 -4.212 1.822 1.00 0.00 N ATOM 744 CA PHE A 191 -8.526 -5.212 2.173 1.00 0.00 C ATOM 745 C PHE A 191 -9.601 -4.522 3.011 1.00 0.00 C ATOM 746 O PHE A 191 -10.771 -4.838 2.929 1.00 0.00 O ATOM 747 CB PHE A 191 -7.888 -6.342 2.982 1.00 0.00 C ATOM 748 CG PHE A 191 -8.648 -7.627 2.756 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.327 -8.450 1.667 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.669 -8.001 3.639 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.028 -9.645 1.463 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.371 -9.196 3.433 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.050 -10.018 2.345 1.00 0.00 C ATOM 0 H PHE A 191 -6.831 -3.985 2.573 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.972 -5.626 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.846 -6.469 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.891 -6.089 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.540 -8.162 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.915 -7.368 4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.780 -10.279 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.159 -9.483 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.591 -10.939 2.186 1.00 0.00 H new ATOM 763 N ARG A 192 -9.207 -3.571 3.811 1.00 0.00 N ATOM 764 CA ARG A 192 -10.194 -2.842 4.654 1.00 0.00 C ATOM 765 C ARG A 192 -10.941 -1.835 3.782 1.00 0.00 C ATOM 766 O ARG A 192 -12.139 -1.664 3.891 1.00 0.00 O ATOM 767 CB ARG A 192 -9.459 -2.101 5.771 1.00 0.00 C ATOM 768 CG ARG A 192 -10.474 -1.414 6.687 1.00 0.00 C ATOM 769 CD ARG A 192 -10.168 -1.765 8.144 1.00 0.00 C ATOM 770 NE ARG A 192 -11.034 -0.953 9.044 1.00 0.00 N ATOM 771 CZ ARG A 192 -10.536 -0.432 10.133 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.649 0.522 10.052 1.00 0.00 N ATOM 773 NH2 ARG A 192 -10.925 -0.865 11.300 1.00 0.00 N ATOM 0 H ARG A 192 -8.239 -3.266 3.917 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.900 -3.548 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.851 -2.800 6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.780 -1.362 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.434 -0.334 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -11.485 -1.732 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -10.341 -2.827 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.117 -1.573 8.362 1.00 0.00 H new ATOM 0 HE ARG A 192 -12.015 -0.804 8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.345 0.860 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.259 0.930 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -11.618 -1.611 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -10.536 -0.458 12.151 1.00 0.00 H new ATOM 787 N MET A 193 -10.236 -1.168 2.913 1.00 0.00 N ATOM 788 CA MET A 193 -10.889 -0.169 2.023 1.00 0.00 C ATOM 789 C MET A 193 -11.722 -0.898 0.969 1.00 0.00 C ATOM 790 O MET A 193 -12.714 -0.389 0.487 1.00 0.00 O ATOM 791 CB MET A 193 -9.819 0.672 1.330 1.00 0.00 C ATOM 792 CG MET A 193 -9.967 2.134 1.753 1.00 0.00 C ATOM 793 SD MET A 193 -9.103 2.400 3.321 1.00 0.00 S ATOM 794 CE MET A 193 -7.470 2.731 2.619 1.00 0.00 C ATOM 0 H MET A 193 -9.230 -1.272 2.780 1.00 0.00 H new ATOM 0 HA MET A 193 -11.534 0.480 2.615 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.827 0.305 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.916 0.584 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.557 2.789 0.984 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.022 2.388 1.859 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.773 2.979 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.115 1.846 2.090 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.536 3.568 1.923 1.00 0.00 H new ATOM 804 N ARG A 194 -11.324 -2.085 0.606 1.00 0.00 N ATOM 805 CA ARG A 194 -12.091 -2.846 -0.418 1.00 0.00 C ATOM 806 C ARG A 194 -12.896 -3.952 0.266 1.00 0.00 C ATOM 807 O ARG A 194 -13.464 -4.810 -0.379 1.00 0.00 O ATOM 808 CB ARG A 194 -11.118 -3.460 -1.424 1.00 0.00 C ATOM 809 CG ARG A 194 -11.047 -2.573 -2.669 1.00 0.00 C ATOM 810 CD ARG A 194 -9.829 -2.963 -3.507 1.00 0.00 C ATOM 811 NE ARG A 194 -10.195 -2.943 -4.952 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.628 -4.031 -5.531 1.00 0.00 C ATOM 813 NH1 ARG A 194 -11.716 -4.610 -5.102 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.975 -4.536 -6.542 1.00 0.00 N ATOM 0 H ARG A 194 -10.501 -2.561 0.974 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.774 -2.176 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.129 -3.558 -0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.445 -4.463 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.957 -2.683 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.980 -1.525 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.008 -2.271 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.481 -3.956 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 194 -10.107 -2.080 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -12.228 -4.213 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -12.054 -5.460 -5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.127 -4.081 -6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -10.313 -5.386 -6.994 1.00 0.00 H new ATOM 828 N GLY A 195 -12.952 -3.935 1.570 1.00 0.00 N ATOM 829 CA GLY A 195 -13.723 -4.980 2.299 1.00 0.00 C ATOM 830 C GLY A 195 -13.157 -6.363 1.972 1.00 0.00 C ATOM 831 O GLY A 195 -12.052 -6.492 1.483 1.00 0.00 O ATOM 0 H GLY A 195 -12.496 -3.241 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.671 -4.800 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.775 -4.932 2.018 1.00 0.00 H new ATOM 835 N SER A 196 -13.906 -7.398 2.239 1.00 0.00 N ATOM 836 CA SER A 196 -13.412 -8.772 1.947 1.00 0.00 C ATOM 837 C SER A 196 -13.157 -8.918 0.446 1.00 0.00 C ATOM 838 O SER A 196 -13.650 -8.150 -0.356 1.00 0.00 O ATOM 839 CB SER A 196 -14.460 -9.794 2.384 1.00 0.00 C ATOM 840 OG SER A 196 -15.695 -9.503 1.744 1.00 0.00 O ATOM 0 H SER A 196 -14.840 -7.350 2.647 1.00 0.00 H new ATOM 0 HA SER A 196 -12.484 -8.945 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.132 -10.801 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.583 -9.766 3.467 1.00 0.00 H new ATOM 0 HG SER A 196 -16.369 -10.158 2.021 1.00 0.00 H new ATOM 846 N ARG A 197 -12.390 -9.901 0.062 1.00 0.00 N ATOM 847 CA ARG A 197 -12.103 -10.100 -1.385 1.00 0.00 C ATOM 848 C ARG A 197 -11.530 -8.811 -1.975 1.00 0.00 C ATOM 849 O ARG A 197 -12.240 -7.858 -2.221 1.00 0.00 O ATOM 850 CB ARG A 197 -13.397 -10.463 -2.117 1.00 0.00 C ATOM 851 CG ARG A 197 -13.392 -11.955 -2.456 1.00 0.00 C ATOM 852 CD ARG A 197 -13.261 -12.130 -3.969 1.00 0.00 C ATOM 853 NE ARG A 197 -14.576 -11.855 -4.612 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.712 -10.827 -5.405 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.300 -10.900 -6.642 1.00 0.00 N ATOM 856 NH2 ARG A 197 -15.258 -9.727 -4.963 1.00 0.00 N ATOM 0 H ARG A 197 -11.950 -10.575 0.689 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.379 -10.907 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -14.259 -10.224 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.489 -9.873 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.565 -12.452 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -14.311 -12.423 -2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.503 -11.452 -4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.934 -13.143 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.370 -12.470 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -13.873 -11.759 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.406 -10.098 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -15.579 -9.670 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -15.363 -8.925 -5.584 1.00 0.00 H new ATOM 870 N ALA A 198 -10.247 -8.777 -2.203 1.00 0.00 N ATOM 871 CA ALA A 198 -9.622 -7.554 -2.776 1.00 0.00 C ATOM 872 C ALA A 198 -8.382 -7.952 -3.576 1.00 0.00 C ATOM 873 O ALA A 198 -7.966 -9.094 -3.568 1.00 0.00 O ATOM 874 CB ALA A 198 -9.219 -6.609 -1.643 1.00 0.00 C ATOM 0 H ALA A 198 -9.603 -9.546 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.333 -7.050 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.761 -5.713 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.103 -6.330 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.505 -7.109 -0.989 1.00 0.00 H new ATOM 880 N LEU A 199 -7.785 -7.021 -4.267 1.00 0.00 N ATOM 881 CA LEU A 199 -6.571 -7.352 -5.063 1.00 0.00 C ATOM 882 C LEU A 199 -5.337 -6.757 -4.381 1.00 0.00 C ATOM 883 O LEU A 199 -5.175 -5.555 -4.309 1.00 0.00 O ATOM 884 CB LEU A 199 -6.705 -6.770 -6.470 1.00 0.00 C ATOM 885 CG LEU A 199 -5.814 -7.561 -7.427 1.00 0.00 C ATOM 886 CD1 LEU A 199 -4.349 -7.391 -7.018 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.191 -9.044 -7.366 1.00 0.00 C ATOM 0 H LEU A 199 -8.085 -6.047 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.465 -8.435 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.743 -6.816 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.417 -5.719 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 199 -5.953 -7.191 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -3.713 -7.955 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -4.080 -6.336 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -4.209 -7.761 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -5.556 -9.609 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.051 -9.413 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -7.235 -9.166 -7.656 1.00 0.00 H new ATOM 899 N LEU A 200 -4.468 -7.589 -3.878 1.00 0.00 N ATOM 900 CA LEU A 200 -3.246 -7.069 -3.198 1.00 0.00 C ATOM 901 C LEU A 200 -2.007 -7.679 -3.850 1.00 0.00 C ATOM 902 O LEU A 200 -2.101 -8.477 -4.762 1.00 0.00 O ATOM 903 CB LEU A 200 -3.262 -7.441 -1.706 1.00 0.00 C ATOM 904 CG LEU A 200 -4.556 -8.179 -1.350 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.412 -8.836 0.023 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.716 -7.182 -1.317 1.00 0.00 C ATOM 0 H LEU A 200 -4.550 -8.605 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.226 -5.983 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.402 -8.069 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.172 -6.540 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.753 -8.946 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.334 -9.360 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.585 -9.546 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.214 -8.071 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.638 -7.705 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.516 -6.416 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.821 -6.714 -2.296 1.00 0.00 H new ATOM 918 N ASN A 201 -0.843 -7.322 -3.383 1.00 0.00 N ATOM 919 CA ASN A 201 0.401 -7.896 -3.973 1.00 0.00 C ATOM 920 C ASN A 201 0.543 -9.337 -3.491 1.00 0.00 C ATOM 921 O ASN A 201 1.077 -10.188 -4.177 1.00 0.00 O ATOM 922 CB ASN A 201 1.626 -7.093 -3.521 1.00 0.00 C ATOM 923 CG ASN A 201 1.216 -5.659 -3.178 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.437 -5.204 -1.977 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.691 -4.947 -4.012 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.698 -6.660 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 201 0.338 -7.858 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.081 -7.567 -2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.378 -7.086 -4.310 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.518 -5.304 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.423 -3.993 -3.772 1.00 0.00 H new ATOM 932 N PHE A 202 0.057 -9.615 -2.312 1.00 0.00 N ATOM 933 CA PHE A 202 0.146 -10.995 -1.764 1.00 0.00 C ATOM 934 C PHE A 202 -1.254 -11.468 -1.355 1.00 0.00 C ATOM 935 O PHE A 202 -1.524 -11.657 -0.184 1.00 0.00 O ATOM 936 CB PHE A 202 1.062 -10.990 -0.536 1.00 0.00 C ATOM 937 CG PHE A 202 2.261 -10.115 -0.800 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.898 -10.159 -2.047 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.744 -9.267 0.204 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.016 -9.354 -2.290 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.863 -8.460 -0.041 1.00 0.00 C ATOM 942 CZ PHE A 202 4.499 -8.504 -1.288 1.00 0.00 C ATOM 0 H PHE A 202 -0.401 -8.939 -1.701 1.00 0.00 H new ATOM 0 HA PHE A 202 0.551 -11.668 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.517 -10.624 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.384 -12.006 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.526 -10.814 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.255 -9.235 1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.507 -9.388 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.235 -7.804 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.362 -7.882 -1.477 1.00 0.00 H new ATOM 952 N PRO A 203 -2.105 -11.646 -2.335 1.00 0.00 N ATOM 953 CA PRO A 203 -3.490 -12.098 -2.112 1.00 0.00 C ATOM 954 C PRO A 203 -3.518 -13.600 -1.821 1.00 0.00 C ATOM 955 O PRO A 203 -2.600 -14.323 -2.156 1.00 0.00 O ATOM 956 CB PRO A 203 -4.189 -11.785 -3.439 1.00 0.00 C ATOM 957 CG PRO A 203 -3.076 -11.705 -4.509 1.00 0.00 C ATOM 958 CD PRO A 203 -1.765 -11.418 -3.754 1.00 0.00 C ATOM 0 HA PRO A 203 -3.969 -11.614 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.913 -12.560 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.737 -10.845 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.006 -12.639 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.288 -10.917 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.964 -12.080 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.424 -10.396 -3.922 1.00 0.00 H new