USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 140 CYS SG : rot 180:sc= -0.368 USER MOD Set 1.2: B 143 CYS SG : rot 86:sc= 0.658 USER MOD Set 1.3: B 155 HIS : no HE2:sc= -4.53! C(o=-5.5!,f=-12!) USER MOD Set 1.4: B 161 HIS : no HE2:sc= -1.21 K(o=-5.5,f=-10!) USER MOD Set 2.1: B 129 CYS SG : rot 10:sc= -0.0467 USER MOD Set 2.2: B 151 CYS SG : rot 180:sc= -1.32 USER MOD Set 3.1: A 129 CYS SG : rot -156:sc= -1.01 USER MOD Set 3.2: A 132 CYS SG : rot 155:sc= 0.272 USER MOD Set 3.3: A 148 CYS SG : rot -41:sc= 0.81 USER MOD Set 3.4: A 151 CYS SG : rot 65:sc= 1.86 USER MOD Set 4.1: A 140 CYS SG : rot 180:sc= -0.574 USER MOD Set 4.2: A 143 CYS SG : rot 68:sc= 0.608 USER MOD Set 4.3: A 155 HIS : no HE2:sc= -1.33 K(o=-2.9,f=-9.8!) USER MOD Set 4.4: A 161 HIS : no HE2:sc= -1.64 K(o=-2.9,f=-8.4!) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot -66:sc= 0.46 USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 CYS SG : rot 180:sc= 0 USER MOD Single : B 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 SER OG : rot -103:sc= 0.906 USER MOD Single : B 145 GLN :FLIP amide:sc= -0.0412 F(o=-0.8,f=-0.041) USER MOD Single : B 148 CYS SG : rot -54:sc= -4.2! USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN :FLIP amide:sc= -0.148 F(o=-0.72,f=-0.15) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.540 0.736 -10.344 1.00 0.00 N ATOM 137 CA ALA A 127 74.591 0.120 -8.986 1.00 0.00 C ATOM 138 C ALA A 127 75.329 1.043 -8.011 1.00 0.00 C ATOM 139 O ALA A 127 76.457 0.791 -7.639 1.00 0.00 O ATOM 140 CB ALA A 127 75.361 -1.187 -9.174 1.00 0.00 C ATOM 0 HA ALA A 127 73.597 -0.047 -8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 127 75.442 -1.702 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 127 74.832 -1.822 -9.884 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.359 -0.970 -9.555 1.00 0.00 H new ATOM 146 N VAL A 128 74.700 2.107 -7.594 1.00 0.00 N ATOM 147 CA VAL A 128 75.368 3.040 -6.641 1.00 0.00 C ATOM 148 C VAL A 128 74.349 3.616 -5.657 1.00 0.00 C ATOM 149 O VAL A 128 73.157 3.594 -5.896 1.00 0.00 O ATOM 150 CB VAL A 128 75.963 4.148 -7.507 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.213 3.623 -8.214 1.00 0.00 C ATOM 152 CG2 VAL A 128 74.936 4.599 -8.546 1.00 0.00 C ATOM 0 H VAL A 128 73.754 2.371 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 128 76.132 2.537 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 128 76.230 4.996 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 128 77.640 4.412 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 128 77.946 3.308 -7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 128 76.946 2.774 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.365 5.390 -9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 128 74.663 3.754 -9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.047 4.975 -8.040 1.00 0.00 H new ATOM 162 N CYS A 129 74.812 4.126 -4.548 1.00 0.00 N ATOM 163 CA CYS A 129 73.877 4.701 -3.535 1.00 0.00 C ATOM 164 C CYS A 129 72.863 5.630 -4.202 1.00 0.00 C ATOM 165 O CYS A 129 73.079 6.125 -5.290 1.00 0.00 O ATOM 166 CB CYS A 129 74.763 5.491 -2.573 1.00 0.00 C ATOM 167 SG CYS A 129 73.811 5.933 -1.097 1.00 0.00 S ATOM 0 H CYS A 129 75.800 4.170 -4.298 1.00 0.00 H new ATOM 0 HA CYS A 129 73.307 3.924 -3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.633 4.897 -2.293 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.135 6.391 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 129 74.346 6.974 -0.532 1.00 0.00 H new ATOM 172 N THR A 130 71.759 5.873 -3.552 1.00 0.00 N ATOM 173 CA THR A 130 70.731 6.773 -4.141 1.00 0.00 C ATOM 174 C THR A 130 71.035 8.226 -3.763 1.00 0.00 C ATOM 175 O THR A 130 70.642 9.151 -4.445 1.00 0.00 O ATOM 176 CB THR A 130 69.405 6.322 -3.526 1.00 0.00 C ATOM 177 OG1 THR A 130 68.331 6.975 -4.188 1.00 0.00 O ATOM 178 CG2 THR A 130 69.383 6.678 -2.039 1.00 0.00 C ATOM 0 H THR A 130 71.525 5.486 -2.638 1.00 0.00 H new ATOM 0 HA THR A 130 70.708 6.722 -5.230 1.00 0.00 H new ATOM 0 HB THR A 130 69.300 5.243 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.481 6.686 -3.796 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.438 6.356 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.207 6.175 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.489 7.756 -1.921 1.00 0.00 H new ATOM 186 N ARG A 131 71.734 8.430 -2.680 1.00 0.00 N ATOM 187 CA ARG A 131 72.072 9.819 -2.257 1.00 0.00 C ATOM 188 C ARG A 131 73.483 10.177 -2.729 1.00 0.00 C ATOM 189 O ARG A 131 73.716 11.234 -3.280 1.00 0.00 O ATOM 190 CB ARG A 131 72.006 9.796 -0.730 1.00 0.00 C ATOM 191 CG ARG A 131 71.273 11.043 -0.230 1.00 0.00 C ATOM 192 CD ARG A 131 72.216 11.875 0.643 1.00 0.00 C ATOM 193 NE ARG A 131 71.408 12.238 1.841 1.00 0.00 N ATOM 194 CZ ARG A 131 72.002 12.613 2.941 1.00 0.00 C ATOM 195 NH1 ARG A 131 73.037 11.952 3.383 1.00 0.00 N1+ ATOM 196 NH2 ARG A 131 71.561 13.650 3.600 1.00 0.00 N ATOM 0 H ARG A 131 72.086 7.693 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 131 71.394 10.560 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 131 71.489 8.898 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 131 73.012 9.761 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 131 70.925 11.636 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 131 70.391 10.754 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 131 73.102 11.305 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 131 72.562 12.764 0.115 1.00 0.00 H new ATOM 0 HE ARG A 131 70.390 12.193 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 131 73.382 11.142 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 131 73.501 12.246 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 131 70.752 14.167 3.255 1.00 0.00 H new ATOM 0 HH22 ARG A 131 72.025 13.943 4.460 1.00 0.00 H new ATOM 210 N CYS A 132 74.425 9.298 -2.521 1.00 0.00 N ATOM 211 CA CYS A 132 75.822 9.579 -2.960 1.00 0.00 C ATOM 212 C CYS A 132 75.965 9.297 -4.457 1.00 0.00 C ATOM 213 O CYS A 132 76.809 9.859 -5.127 1.00 0.00 O ATOM 214 CB CYS A 132 76.691 8.617 -2.148 1.00 0.00 C ATOM 215 SG CYS A 132 76.240 8.726 -0.398 1.00 0.00 S ATOM 0 H CYS A 132 74.287 8.396 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 132 76.108 10.619 -2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.555 7.597 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.745 8.863 -2.279 1.00 0.00 H new ATOM 0 HG CYS A 132 76.546 7.613 0.199 1.00 0.00 H new ATOM 220 N LYS A 133 75.146 8.427 -4.982 1.00 0.00 N ATOM 221 CA LYS A 133 75.227 8.098 -6.435 1.00 0.00 C ATOM 222 C LYS A 133 76.545 7.375 -6.747 1.00 0.00 C ATOM 223 O LYS A 133 76.901 7.179 -7.891 1.00 0.00 O ATOM 224 CB LYS A 133 75.109 9.461 -7.150 1.00 0.00 C ATOM 225 CG LYS A 133 76.440 9.905 -7.783 1.00 0.00 C ATOM 226 CD LYS A 133 76.498 9.430 -9.238 1.00 0.00 C ATOM 227 CE LYS A 133 77.956 9.211 -9.649 1.00 0.00 C ATOM 228 NZ LYS A 133 77.924 9.131 -11.138 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.422 7.928 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 133 74.443 7.417 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.344 9.398 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.779 10.216 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.531 10.990 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.278 9.492 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 133 75.935 8.504 -9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.033 10.168 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.590 10.031 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.357 8.296 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 78.888 8.981 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.318 8.338 -11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 77.544 10.018 -11.525 1.00 0.00 H new ATOM 242 N GLU A 134 77.266 6.961 -5.737 1.00 0.00 N ATOM 243 CA GLU A 134 78.551 6.245 -5.979 1.00 0.00 C ATOM 244 C GLU A 134 79.148 5.770 -4.653 1.00 0.00 C ATOM 245 O GLU A 134 78.635 6.062 -3.591 1.00 0.00 O ATOM 246 CB GLU A 134 79.468 7.279 -6.631 1.00 0.00 C ATOM 247 CG GLU A 134 79.745 8.412 -5.643 1.00 0.00 C ATOM 248 CD GLU A 134 80.499 9.537 -6.355 1.00 0.00 C ATOM 249 OE1 GLU A 134 81.430 9.231 -7.082 1.00 0.00 O ATOM 250 OE2 GLU A 134 80.133 10.684 -6.162 1.00 0.00 O1- ATOM 0 H GLU A 134 77.019 7.089 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 134 78.417 5.364 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.404 6.810 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.003 7.675 -7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 134 78.808 8.790 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.332 8.041 -4.803 1.00 0.00 H new ATOM 257 N SER A 135 80.231 5.046 -4.708 1.00 0.00 N ATOM 258 CA SER A 135 80.869 4.555 -3.451 1.00 0.00 C ATOM 259 C SER A 135 79.929 3.592 -2.716 1.00 0.00 C ATOM 260 O SER A 135 79.894 3.547 -1.503 1.00 0.00 O ATOM 261 CB SER A 135 81.118 5.817 -2.622 1.00 0.00 C ATOM 262 OG SER A 135 80.102 5.949 -1.637 1.00 0.00 O ATOM 0 H SER A 135 80.704 4.772 -5.569 1.00 0.00 H new ATOM 0 HA SER A 135 81.790 4.003 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 135 82.096 5.763 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.127 6.694 -3.270 1.00 0.00 H new ATOM 0 HG SER A 135 79.241 6.114 -2.075 1.00 0.00 H new ATOM 268 N ALA A 136 79.167 2.819 -3.443 1.00 0.00 N ATOM 269 CA ALA A 136 78.232 1.862 -2.783 1.00 0.00 C ATOM 270 C ALA A 136 78.213 0.527 -3.535 1.00 0.00 C ATOM 271 O ALA A 136 78.113 0.487 -4.745 1.00 0.00 O ATOM 272 CB ALA A 136 76.863 2.536 -2.859 1.00 0.00 C ATOM 0 H ALA A 136 79.151 2.809 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 136 78.526 1.641 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.115 1.894 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 136 76.898 3.491 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.598 2.704 -3.903 1.00 0.00 H new ATOM 278 N ASP A 137 78.306 -0.565 -2.826 1.00 0.00 N ATOM 279 CA ASP A 137 78.291 -1.897 -3.498 1.00 0.00 C ATOM 280 C ASP A 137 77.215 -2.791 -2.877 1.00 0.00 C ATOM 281 O ASP A 137 77.301 -4.002 -2.918 1.00 0.00 O ATOM 282 CB ASP A 137 79.681 -2.483 -3.251 1.00 0.00 C ATOM 283 CG ASP A 137 80.046 -3.432 -4.394 1.00 0.00 C ATOM 284 OD1 ASP A 137 79.188 -4.202 -4.795 1.00 0.00 O1- ATOM 285 OD2 ASP A 137 81.177 -3.376 -4.847 1.00 0.00 O ATOM 0 H ASP A 137 78.392 -0.593 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 137 78.065 -1.819 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.417 -1.682 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.698 -3.017 -2.301 1.00 0.00 H new ATOM 290 N PHE A 138 76.202 -2.204 -2.298 1.00 0.00 N ATOM 291 CA PHE A 138 75.124 -3.023 -1.674 1.00 0.00 C ATOM 292 C PHE A 138 73.766 -2.337 -1.846 1.00 0.00 C ATOM 293 O PHE A 138 73.658 -1.127 -1.793 1.00 0.00 O ATOM 294 CB PHE A 138 75.495 -3.108 -0.193 1.00 0.00 C ATOM 295 CG PHE A 138 76.388 -4.303 0.038 1.00 0.00 C ATOM 296 CD1 PHE A 138 77.776 -4.172 -0.080 1.00 0.00 C ATOM 297 CD2 PHE A 138 75.826 -5.541 0.370 1.00 0.00 C ATOM 298 CE1 PHE A 138 78.604 -5.280 0.135 1.00 0.00 C ATOM 299 CE2 PHE A 138 76.655 -6.649 0.585 1.00 0.00 C ATOM 300 CZ PHE A 138 78.044 -6.518 0.467 1.00 0.00 C ATOM 0 H PHE A 138 76.075 -1.194 -2.230 1.00 0.00 H new ATOM 0 HA PHE A 138 75.041 -4.009 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 138 76.004 -2.196 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.593 -3.192 0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 138 78.208 -3.216 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 138 74.755 -5.642 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 138 79.675 -5.179 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 138 76.223 -7.605 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.683 -7.373 0.632 1.00 0.00 H new ATOM 310 N TRP A 139 72.729 -3.102 -2.049 1.00 0.00 N ATOM 311 CA TRP A 139 71.376 -2.498 -2.220 1.00 0.00 C ATOM 312 C TRP A 139 70.362 -3.219 -1.328 1.00 0.00 C ATOM 313 O TRP A 139 70.441 -4.413 -1.121 1.00 0.00 O ATOM 314 CB TRP A 139 71.035 -2.697 -3.699 1.00 0.00 C ATOM 315 CG TRP A 139 70.012 -3.780 -3.840 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.680 -3.615 -3.677 1.00 0.00 C ATOM 317 CD2 TRP A 139 70.215 -5.184 -4.173 1.00 0.00 C ATOM 318 NE1 TRP A 139 68.051 -4.829 -3.884 1.00 0.00 N ATOM 319 CE2 TRP A 139 68.954 -5.827 -4.193 1.00 0.00 C ATOM 320 CE3 TRP A 139 71.357 -5.955 -4.454 1.00 0.00 C ATOM 321 CZ2 TRP A 139 68.831 -7.187 -4.483 1.00 0.00 C ATOM 322 CZ3 TRP A 139 71.237 -7.323 -4.747 1.00 0.00 C ATOM 323 CH2 TRP A 139 69.976 -7.938 -4.761 1.00 0.00 C ATOM 0 H TRP A 139 72.759 -4.120 -2.104 1.00 0.00 H new ATOM 0 HA TRP A 139 71.353 -1.445 -1.939 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.655 -1.767 -4.123 1.00 0.00 H new ATOM 0 HB3 TRP A 139 71.934 -2.958 -4.257 1.00 0.00 H new ATOM 0 HD1 TRP A 139 68.188 -2.687 -3.426 1.00 0.00 H new ATOM 0 HE1 TRP A 139 67.043 -4.970 -3.817 1.00 0.00 H new ATOM 0 HE3 TRP A 139 72.333 -5.492 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 67.858 -7.655 -4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 72.121 -7.905 -4.963 1.00 0.00 H new ATOM 0 HH2 TRP A 139 69.890 -8.991 -4.986 1.00 0.00 H new ATOM 334 N CYS A 140 69.410 -2.501 -0.795 1.00 0.00 N ATOM 335 CA CYS A 140 68.393 -3.144 0.086 1.00 0.00 C ATOM 336 C CYS A 140 67.339 -3.865 -0.758 1.00 0.00 C ATOM 337 O CYS A 140 66.810 -3.320 -1.707 1.00 0.00 O ATOM 338 CB CYS A 140 67.759 -1.990 0.864 1.00 0.00 C ATOM 339 SG CYS A 140 67.848 -2.337 2.638 1.00 0.00 S ATOM 0 H CYS A 140 69.293 -1.497 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 140 68.833 -3.890 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 140 68.277 -1.058 0.639 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.720 -1.860 0.560 1.00 0.00 H new ATOM 0 HG CYS A 140 67.311 -1.356 3.300 1.00 0.00 H new ATOM 344 N PHE A 141 67.027 -5.085 -0.418 1.00 0.00 N ATOM 345 CA PHE A 141 66.004 -5.839 -1.200 1.00 0.00 C ATOM 346 C PHE A 141 64.598 -5.400 -0.787 1.00 0.00 C ATOM 347 O PHE A 141 63.708 -5.280 -1.606 1.00 0.00 O ATOM 348 CB PHE A 141 66.235 -7.307 -0.843 1.00 0.00 C ATOM 349 CG PHE A 141 65.226 -8.165 -1.569 1.00 0.00 C ATOM 350 CD1 PHE A 141 63.988 -8.443 -0.977 1.00 0.00 C ATOM 351 CD2 PHE A 141 65.528 -8.682 -2.834 1.00 0.00 C ATOM 352 CE1 PHE A 141 63.052 -9.237 -1.650 1.00 0.00 C ATOM 353 CE2 PHE A 141 64.592 -9.476 -3.508 1.00 0.00 C ATOM 354 CZ PHE A 141 63.354 -9.754 -2.915 1.00 0.00 C ATOM 0 H PHE A 141 67.435 -5.593 0.367 1.00 0.00 H new ATOM 0 HA PHE A 141 66.090 -5.663 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 141 67.247 -7.605 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 141 66.142 -7.450 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 141 63.755 -8.045 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 141 66.483 -8.469 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 141 62.097 -9.451 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 141 64.825 -9.874 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 141 62.632 -10.367 -3.434 1.00 0.00 H new ATOM 364 N GLU A 142 64.390 -5.155 0.478 1.00 0.00 N ATOM 365 CA GLU A 142 63.042 -4.721 0.942 1.00 0.00 C ATOM 366 C GLU A 142 62.759 -3.293 0.471 1.00 0.00 C ATOM 367 O GLU A 142 61.749 -3.021 -0.147 1.00 0.00 O ATOM 368 CB GLU A 142 63.108 -4.779 2.468 1.00 0.00 C ATOM 369 CG GLU A 142 62.697 -6.172 2.945 1.00 0.00 C ATOM 370 CD GLU A 142 61.423 -6.069 3.785 1.00 0.00 C ATOM 371 OE1 GLU A 142 61.539 -5.822 4.974 1.00 0.00 O ATOM 372 OE2 GLU A 142 60.352 -6.237 3.224 1.00 0.00 O1- ATOM 0 H GLU A 142 65.095 -5.237 1.210 1.00 0.00 H new ATOM 0 HA GLU A 142 62.246 -5.352 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 142 64.118 -4.550 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.449 -4.026 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 142 62.529 -6.826 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 142 63.499 -6.617 3.534 1.00 0.00 H new ATOM 379 N CYS A 143 63.645 -2.379 0.759 1.00 0.00 N ATOM 380 CA CYS A 143 63.430 -0.968 0.328 1.00 0.00 C ATOM 381 C CYS A 143 63.748 -0.811 -1.162 1.00 0.00 C ATOM 382 O CYS A 143 63.349 0.148 -1.792 1.00 0.00 O ATOM 383 CB CYS A 143 64.404 -0.145 1.172 1.00 0.00 C ATOM 384 SG CYS A 143 64.218 -0.592 2.916 1.00 0.00 S ATOM 0 H CYS A 143 64.509 -2.548 1.274 1.00 0.00 H new ATOM 0 HA CYS A 143 62.397 -0.649 0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.428 -0.327 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.211 0.919 1.036 1.00 0.00 H new ATOM 0 HG CYS A 143 64.625 -1.814 3.097 1.00 0.00 H new ATOM 389 N GLU A 144 64.465 -1.743 -1.731 1.00 0.00 N ATOM 390 CA GLU A 144 64.804 -1.641 -3.180 1.00 0.00 C ATOM 391 C GLU A 144 65.606 -0.364 -3.443 1.00 0.00 C ATOM 392 O GLU A 144 65.435 0.290 -4.453 1.00 0.00 O ATOM 393 CB GLU A 144 63.457 -1.588 -3.901 1.00 0.00 C ATOM 394 CG GLU A 144 62.491 -2.585 -3.257 1.00 0.00 C ATOM 395 CD GLU A 144 61.742 -3.350 -4.350 1.00 0.00 C ATOM 396 OE1 GLU A 144 62.384 -3.775 -5.297 1.00 0.00 O ATOM 397 OE2 GLU A 144 60.538 -3.499 -4.222 1.00 0.00 O1- ATOM 0 H GLU A 144 64.830 -2.569 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 144 65.414 -2.477 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 144 63.044 -0.581 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.589 -1.824 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 144 63.040 -3.281 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 144 61.783 -2.059 -2.616 1.00 0.00 H new ATOM 404 N GLN A 145 66.477 -0.003 -2.542 1.00 0.00 N ATOM 405 CA GLN A 145 67.287 1.233 -2.742 1.00 0.00 C ATOM 406 C GLN A 145 68.776 0.927 -2.558 1.00 0.00 C ATOM 407 O GLN A 145 69.148 -0.027 -1.903 1.00 0.00 O ATOM 408 CB GLN A 145 66.802 2.202 -1.664 1.00 0.00 C ATOM 409 CG GLN A 145 65.524 2.898 -2.139 1.00 0.00 C ATOM 410 CD GLN A 145 65.449 4.298 -1.526 1.00 0.00 C ATOM 411 OE1 GLN A 145 65.527 5.286 -2.229 1.00 0.00 O ATOM 412 NE2 GLN A 145 65.300 4.426 -0.236 1.00 0.00 N ATOM 0 H GLN A 145 66.663 -0.509 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 145 67.170 1.645 -3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 145 66.612 1.664 -0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 145 67.574 2.942 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 145 65.516 2.965 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 145 64.650 2.315 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 145 65.234 3.597 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 145 65.249 5.355 0.182 1.00 0.00 H new ATOM 421 N LEU A 146 69.632 1.729 -3.129 1.00 0.00 N ATOM 422 CA LEU A 146 71.095 1.484 -2.984 1.00 0.00 C ATOM 423 C LEU A 146 71.648 2.287 -1.804 1.00 0.00 C ATOM 424 O LEU A 146 71.129 3.330 -1.454 1.00 0.00 O ATOM 425 CB LEU A 146 71.711 1.966 -4.298 1.00 0.00 C ATOM 426 CG LEU A 146 71.127 1.162 -5.461 1.00 0.00 C ATOM 427 CD1 LEU A 146 70.673 2.119 -6.565 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.195 0.214 -6.014 1.00 0.00 C ATOM 0 H LEU A 146 69.382 2.543 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 146 71.322 0.436 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.509 3.028 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 146 72.794 1.849 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 146 70.274 0.582 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 146 70.257 1.547 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 146 69.913 2.794 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 146 71.526 2.699 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 146 71.779 -0.359 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.049 0.793 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 146 72.519 -0.468 -5.228 1.00 0.00 H new ATOM 440 N LEU A 147 72.694 1.813 -1.187 1.00 0.00 N ATOM 441 CA LEU A 147 73.274 2.552 -0.030 1.00 0.00 C ATOM 442 C LEU A 147 74.790 2.347 0.025 1.00 0.00 C ATOM 443 O LEU A 147 75.287 1.254 -0.163 1.00 0.00 O ATOM 444 CB LEU A 147 72.607 1.944 1.204 1.00 0.00 C ATOM 445 CG LEU A 147 71.196 2.516 1.357 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.526 1.895 2.585 1.00 0.00 C ATOM 447 CD2 LEU A 147 71.276 4.034 1.532 1.00 0.00 C ATOM 0 H LEU A 147 73.172 0.946 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 147 73.102 3.626 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 147 72.562 0.859 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.197 2.162 2.094 1.00 0.00 H new ATOM 0 HG LEU A 147 70.611 2.284 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.521 2.301 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.469 0.814 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 147 71.111 2.127 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 147 70.271 4.441 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.860 4.267 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.754 4.476 0.658 1.00 0.00 H new ATOM 459 N CYS A 148 75.528 3.392 0.285 1.00 0.00 N ATOM 460 CA CYS A 148 77.011 3.256 0.356 1.00 0.00 C ATOM 461 C CYS A 148 77.411 2.578 1.670 1.00 0.00 C ATOM 462 O CYS A 148 76.650 2.543 2.616 1.00 0.00 O ATOM 463 CB CYS A 148 77.543 4.691 0.300 1.00 0.00 C ATOM 464 SG CYS A 148 77.064 5.575 1.803 1.00 0.00 S ATOM 0 H CYS A 148 75.169 4.332 0.451 1.00 0.00 H new ATOM 0 HA CYS A 148 77.414 2.645 -0.451 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.628 4.683 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.146 5.203 -0.577 1.00 0.00 H new ATOM 0 HG CYS A 148 75.841 5.266 2.117 1.00 0.00 H new ATOM 469 N ALA A 149 78.595 2.032 1.732 1.00 0.00 N ATOM 470 CA ALA A 149 79.038 1.352 2.984 1.00 0.00 C ATOM 471 C ALA A 149 78.776 2.247 4.198 1.00 0.00 C ATOM 472 O ALA A 149 78.604 1.775 5.304 1.00 0.00 O ATOM 473 CB ALA A 149 80.538 1.122 2.801 1.00 0.00 C ATOM 0 H ALA A 149 79.274 2.027 0.971 1.00 0.00 H new ATOM 0 HA ALA A 149 78.500 0.420 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 149 80.940 0.624 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 149 80.706 0.497 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 149 81.039 2.080 2.665 1.00 0.00 H new ATOM 479 N LYS A 150 78.738 3.535 3.999 1.00 0.00 N ATOM 480 CA LYS A 150 78.483 4.459 5.142 1.00 0.00 C ATOM 481 C LYS A 150 77.013 4.376 5.564 1.00 0.00 C ATOM 482 O LYS A 150 76.675 4.578 6.713 1.00 0.00 O ATOM 483 CB LYS A 150 78.812 5.853 4.609 1.00 0.00 C ATOM 484 CG LYS A 150 80.013 6.417 5.368 1.00 0.00 C ATOM 485 CD LYS A 150 79.522 7.272 6.537 1.00 0.00 C ATOM 486 CE LYS A 150 79.551 6.446 7.824 1.00 0.00 C ATOM 487 NZ LYS A 150 79.324 7.432 8.916 1.00 0.00 N1+ ATOM 0 H LYS A 150 78.872 3.989 3.095 1.00 0.00 H new ATOM 0 HA LYS A 150 79.082 4.210 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.032 5.804 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 150 77.952 6.512 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 150 80.639 5.604 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 150 80.630 7.017 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 150 80.152 8.155 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 150 78.509 7.625 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 150 78.778 5.678 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 150 80.507 5.936 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 79.330 6.942 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 80.079 8.147 8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 78.404 7.897 8.778 1.00 0.00 H new ATOM 501 N CYS A 151 76.138 4.082 4.641 1.00 0.00 N ATOM 502 CA CYS A 151 74.691 3.988 4.987 1.00 0.00 C ATOM 503 C CYS A 151 74.315 2.539 5.308 1.00 0.00 C ATOM 504 O CYS A 151 73.564 2.270 6.225 1.00 0.00 O ATOM 505 CB CYS A 151 73.952 4.467 3.738 1.00 0.00 C ATOM 506 SG CYS A 151 74.309 6.220 3.458 1.00 0.00 S ATOM 0 H CYS A 151 76.363 3.903 3.662 1.00 0.00 H new ATOM 0 HA CYS A 151 74.439 4.584 5.864 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.260 3.880 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 151 72.879 4.318 3.858 1.00 0.00 H new ATOM 0 HG CYS A 151 75.574 6.369 3.199 1.00 0.00 H new ATOM 511 N PHE A 152 74.830 1.602 4.561 1.00 0.00 N ATOM 512 CA PHE A 152 74.500 0.172 4.824 1.00 0.00 C ATOM 513 C PHE A 152 74.958 -0.227 6.230 1.00 0.00 C ATOM 514 O PHE A 152 74.204 -0.781 7.005 1.00 0.00 O ATOM 515 CB PHE A 152 75.272 -0.616 3.766 1.00 0.00 C ATOM 516 CG PHE A 152 75.061 -2.095 3.990 1.00 0.00 C ATOM 517 CD1 PHE A 152 73.801 -2.573 4.367 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.127 -2.987 3.820 1.00 0.00 C ATOM 519 CE1 PHE A 152 73.606 -3.944 4.576 1.00 0.00 C ATOM 520 CE2 PHE A 152 75.932 -4.357 4.028 1.00 0.00 C ATOM 521 CZ PHE A 152 74.671 -4.836 4.406 1.00 0.00 C ATOM 0 H PHE A 152 75.465 1.764 3.780 1.00 0.00 H new ATOM 0 HA PHE A 152 73.428 -0.019 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 152 74.933 -0.336 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.334 -0.376 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 152 72.979 -1.885 4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.099 -2.618 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 152 72.634 -4.313 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 152 76.754 -5.045 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 152 74.521 -5.893 4.566 1.00 0.00 H new ATOM 531 N GLU A 153 76.188 0.052 6.565 1.00 0.00 N ATOM 532 CA GLU A 153 76.690 -0.310 7.920 1.00 0.00 C ATOM 533 C GLU A 153 75.767 0.267 8.996 1.00 0.00 C ATOM 534 O GLU A 153 75.399 -0.404 9.938 1.00 0.00 O ATOM 535 CB GLU A 153 78.080 0.320 8.007 1.00 0.00 C ATOM 536 CG GLU A 153 78.535 0.351 9.466 1.00 0.00 C ATOM 537 CD GLU A 153 80.064 0.340 9.523 1.00 0.00 C ATOM 538 OE1 GLU A 153 80.669 1.128 8.814 1.00 0.00 O1- ATOM 539 OE2 GLU A 153 80.604 -0.457 10.272 1.00 0.00 O ATOM 0 H GLU A 153 76.866 0.514 5.959 1.00 0.00 H new ATOM 0 HA GLU A 153 76.722 -1.388 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.788 -0.251 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 153 78.059 1.331 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 153 78.148 1.242 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 153 78.134 -0.510 10.002 1.00 0.00 H new ATOM 546 N ALA A 154 75.389 1.510 8.860 1.00 0.00 N ATOM 547 CA ALA A 154 74.487 2.128 9.874 1.00 0.00 C ATOM 548 C ALA A 154 73.093 1.503 9.786 1.00 0.00 C ATOM 549 O ALA A 154 72.422 1.314 10.782 1.00 0.00 O ATOM 550 CB ALA A 154 74.435 3.611 9.506 1.00 0.00 C ATOM 0 H ALA A 154 75.665 2.123 8.093 1.00 0.00 H new ATOM 0 HA ALA A 154 74.841 1.975 10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.789 4.138 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 154 75.439 4.032 9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 154 74.040 3.722 8.496 1.00 0.00 H new ATOM 556 N HIS A 155 72.652 1.177 8.602 1.00 0.00 N ATOM 557 CA HIS A 155 71.303 0.560 8.451 1.00 0.00 C ATOM 558 C HIS A 155 71.251 -0.778 9.191 1.00 0.00 C ATOM 559 O HIS A 155 70.428 -0.988 10.060 1.00 0.00 O ATOM 560 CB HIS A 155 71.130 0.350 6.946 1.00 0.00 C ATOM 561 CG HIS A 155 69.703 -0.028 6.654 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.643 0.821 6.927 1.00 0.00 N ATOM 563 CD2 HIS A 155 69.147 -1.160 6.111 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.513 0.194 6.551 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.764 -1.018 6.048 1.00 0.00 N ATOM 0 H HIS A 155 73.167 1.311 7.732 1.00 0.00 H new ATOM 0 HA HIS A 155 70.512 1.184 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.394 1.261 6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.804 -0.433 6.597 1.00 0.00 H new ATOM 0 HD1 HIS A 155 68.707 1.752 7.338 1.00 0.00 H new ATOM 0 HD2 HIS A 155 69.699 -2.028 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.524 0.619 6.644 1.00 0.00 H new ATOM 573 N GLN A 156 72.127 -1.684 8.854 1.00 0.00 N ATOM 574 CA GLN A 156 72.135 -3.009 9.537 1.00 0.00 C ATOM 575 C GLN A 156 72.340 -2.825 11.043 1.00 0.00 C ATOM 576 O GLN A 156 72.014 -3.688 11.834 1.00 0.00 O ATOM 577 CB GLN A 156 73.315 -3.760 8.922 1.00 0.00 C ATOM 578 CG GLN A 156 73.153 -5.261 9.174 1.00 0.00 C ATOM 579 CD GLN A 156 74.166 -6.031 8.323 1.00 0.00 C ATOM 580 OE1 GLN A 156 75.249 -6.340 8.780 1.00 0.00 O ATOM 581 NE2 GLN A 156 73.859 -6.355 7.098 1.00 0.00 N ATOM 0 H GLN A 156 72.839 -1.564 8.134 1.00 0.00 H new ATOM 0 HA GLN A 156 71.196 -3.548 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 156 73.366 -3.564 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.250 -3.407 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 156 73.306 -5.482 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 156 72.139 -5.575 8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 156 72.950 -6.096 6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 156 74.528 -6.868 6.523 1.00 0.00 H new ATOM 590 N TRP A 157 72.880 -1.708 11.446 1.00 0.00 N ATOM 591 CA TRP A 157 73.109 -1.470 12.901 1.00 0.00 C ATOM 592 C TRP A 157 71.898 -0.764 13.519 1.00 0.00 C ATOM 593 O TRP A 157 71.517 -1.034 14.641 1.00 0.00 O ATOM 594 CB TRP A 157 74.344 -0.571 12.963 1.00 0.00 C ATOM 595 CG TRP A 157 74.832 -0.488 14.374 1.00 0.00 C ATOM 596 CD1 TRP A 157 75.117 -1.552 15.161 1.00 0.00 C ATOM 597 CD2 TRP A 157 75.097 0.698 15.177 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.540 -1.092 16.396 1.00 0.00 N ATOM 599 CE2 TRP A 157 75.545 0.288 16.455 1.00 0.00 C ATOM 600 CE3 TRP A 157 74.993 2.078 14.923 1.00 0.00 C ATOM 601 CZ2 TRP A 157 75.879 1.213 17.445 1.00 0.00 C ATOM 602 CZ3 TRP A 157 75.328 3.012 15.917 1.00 0.00 C ATOM 603 CH2 TRP A 157 75.770 2.580 17.176 1.00 0.00 C ATOM 0 H TRP A 157 73.173 -0.949 10.831 1.00 0.00 H new ATOM 0 HA TRP A 157 73.251 -2.398 13.455 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.128 -0.968 12.319 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.101 0.425 12.592 1.00 0.00 H new ATOM 0 HD1 TRP A 157 75.029 -2.589 14.873 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.815 -1.698 17.169 1.00 0.00 H new ATOM 0 HE3 TRP A 157 74.653 2.421 13.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 76.219 0.875 18.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 75.245 4.069 15.711 1.00 0.00 H new ATOM 0 HH2 TRP A 157 76.026 3.303 17.937 1.00 0.00 H new ATOM 614 N PHE A 158 71.292 0.138 12.797 1.00 0.00 N ATOM 615 CA PHE A 158 70.106 0.859 13.345 1.00 0.00 C ATOM 616 C PHE A 158 68.958 -0.121 13.592 1.00 0.00 C ATOM 617 O PHE A 158 68.277 -0.056 14.596 1.00 0.00 O ATOM 618 CB PHE A 158 69.724 1.869 12.263 1.00 0.00 C ATOM 619 CG PHE A 158 70.032 3.265 12.747 1.00 0.00 C ATOM 620 CD1 PHE A 158 71.358 3.707 12.810 1.00 0.00 C ATOM 621 CD2 PHE A 158 68.991 4.117 13.136 1.00 0.00 C ATOM 622 CE1 PHE A 158 71.645 5.002 13.259 1.00 0.00 C ATOM 623 CE2 PHE A 158 69.277 5.411 13.586 1.00 0.00 C ATOM 624 CZ PHE A 158 70.604 5.853 13.647 1.00 0.00 C ATOM 0 H PHE A 158 71.566 0.408 11.852 1.00 0.00 H new ATOM 0 HA PHE A 158 70.321 1.342 14.298 1.00 0.00 H new ATOM 0 HB2 PHE A 158 70.274 1.661 11.346 1.00 0.00 H new ATOM 0 HB3 PHE A 158 68.664 1.780 12.026 1.00 0.00 H new ATOM 0 HD1 PHE A 158 72.161 3.049 12.512 1.00 0.00 H new ATOM 0 HD2 PHE A 158 67.967 3.776 13.089 1.00 0.00 H new ATOM 0 HE1 PHE A 158 72.668 5.344 13.306 1.00 0.00 H new ATOM 0 HE2 PHE A 158 68.474 6.068 13.886 1.00 0.00 H new ATOM 0 HZ PHE A 158 70.825 6.852 13.994 1.00 0.00 H new ATOM 634 N LEU A 159 68.736 -1.029 12.681 1.00 0.00 N ATOM 635 CA LEU A 159 67.631 -2.013 12.861 1.00 0.00 C ATOM 636 C LEU A 159 67.961 -3.315 12.126 1.00 0.00 C ATOM 637 O LEU A 159 69.015 -3.457 11.539 1.00 0.00 O ATOM 638 CB LEU A 159 66.388 -1.349 12.255 1.00 0.00 C ATOM 639 CG LEU A 159 66.780 -0.507 11.035 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.415 -1.408 9.972 1.00 0.00 C ATOM 641 CD2 LEU A 159 65.530 0.157 10.455 1.00 0.00 C ATOM 0 H LEU A 159 69.272 -1.132 11.820 1.00 0.00 H new ATOM 0 HA LEU A 159 67.477 -2.268 13.909 1.00 0.00 H new ATOM 0 HB2 LEU A 159 65.665 -2.111 11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 159 65.903 -0.719 13.001 1.00 0.00 H new ATOM 0 HG LEU A 159 67.496 0.258 11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.693 -0.808 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 159 68.304 -1.885 10.384 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.700 -2.173 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 159 65.806 0.756 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 159 64.817 -0.610 10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 159 65.075 0.799 11.210 1.00 0.00 H new ATOM 653 N LYS A 160 67.072 -4.270 12.158 1.00 0.00 N ATOM 654 CA LYS A 160 67.340 -5.563 11.465 1.00 0.00 C ATOM 655 C LYS A 160 66.774 -5.534 10.043 1.00 0.00 C ATOM 656 O LYS A 160 65.577 -5.541 9.841 1.00 0.00 O ATOM 657 CB LYS A 160 66.622 -6.619 12.306 1.00 0.00 C ATOM 658 CG LYS A 160 67.383 -6.833 13.615 1.00 0.00 C ATOM 659 CD LYS A 160 66.606 -7.808 14.503 1.00 0.00 C ATOM 660 CE LYS A 160 67.356 -8.007 15.822 1.00 0.00 C ATOM 661 NZ LYS A 160 66.906 -9.337 16.318 1.00 0.00 N1+ ATOM 0 H LYS A 160 66.172 -4.211 12.634 1.00 0.00 H new ATOM 0 HA LYS A 160 68.407 -5.768 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 160 65.601 -6.300 12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 160 66.557 -7.556 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 160 68.379 -7.226 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 160 67.516 -5.882 14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 160 65.605 -7.422 14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 160 66.486 -8.764 13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 160 68.435 -7.986 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.118 -7.218 16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 67.376 -9.548 17.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 65.876 -9.325 16.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 67.152 -10.069 15.621 1.00 0.00 H new ATOM 675 N HIS A 161 67.628 -5.504 9.057 1.00 0.00 N ATOM 676 CA HIS A 161 67.141 -5.478 7.648 1.00 0.00 C ATOM 677 C HIS A 161 67.869 -6.538 6.818 1.00 0.00 C ATOM 678 O HIS A 161 68.832 -7.133 7.260 1.00 0.00 O ATOM 679 CB HIS A 161 67.475 -4.077 7.137 1.00 0.00 C ATOM 680 CG HIS A 161 66.318 -3.549 6.331 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.314 -2.781 6.896 1.00 0.00 N ATOM 682 CD2 HIS A 161 65.994 -3.674 5.003 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.441 -2.474 5.919 1.00 0.00 C ATOM 684 NE2 HIS A 161 64.808 -2.994 4.745 1.00 0.00 N ATOM 0 H HIS A 161 68.642 -5.496 9.166 1.00 0.00 H new ATOM 0 HA HIS A 161 66.075 -5.694 7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 161 67.682 -3.412 7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.376 -4.107 6.524 1.00 0.00 H new ATOM 0 HD1 HIS A 161 65.248 -2.499 7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 161 66.572 -4.217 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 161 63.552 -1.879 6.066 1.00 0.00 H new ATOM 692 N GLU A 162 67.416 -6.780 5.617 1.00 0.00 N ATOM 693 CA GLU A 162 68.084 -7.802 4.761 1.00 0.00 C ATOM 694 C GLU A 162 68.441 -7.201 3.400 1.00 0.00 C ATOM 695 O GLU A 162 67.581 -6.922 2.588 1.00 0.00 O ATOM 696 CB GLU A 162 67.053 -8.919 4.600 1.00 0.00 C ATOM 697 CG GLU A 162 67.684 -10.256 4.996 1.00 0.00 C ATOM 698 CD GLU A 162 67.364 -11.308 3.932 1.00 0.00 C ATOM 699 OE1 GLU A 162 67.401 -10.967 2.760 1.00 0.00 O1- ATOM 700 OE2 GLU A 162 67.088 -12.434 4.307 1.00 0.00 O ATOM 0 H GLU A 162 66.614 -6.315 5.192 1.00 0.00 H new ATOM 0 HA GLU A 162 69.013 -8.165 5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 162 66.182 -8.717 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.704 -8.961 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 162 68.763 -10.144 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 162 67.303 -10.577 5.966 1.00 0.00 H new ATOM 707 N ALA A 163 69.705 -6.999 3.144 1.00 0.00 N ATOM 708 CA ALA A 163 70.117 -6.417 1.835 1.00 0.00 C ATOM 709 C ALA A 163 71.168 -7.307 1.168 1.00 0.00 C ATOM 710 O ALA A 163 71.773 -8.150 1.799 1.00 0.00 O ATOM 711 CB ALA A 163 70.710 -5.050 2.178 1.00 0.00 C ATOM 0 H ALA A 163 70.470 -7.212 3.784 1.00 0.00 H new ATOM 0 HA ALA A 163 69.283 -6.335 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.038 -4.556 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 163 69.954 -4.438 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.562 -5.180 2.846 1.00 0.00 H new ATOM 717 N ARG A 164 71.390 -7.127 -0.105 1.00 0.00 N ATOM 718 CA ARG A 164 72.402 -7.964 -0.812 1.00 0.00 C ATOM 719 C ARG A 164 73.419 -7.070 -1.529 1.00 0.00 C ATOM 720 O ARG A 164 73.165 -5.905 -1.761 1.00 0.00 O ATOM 721 CB ARG A 164 71.600 -8.783 -1.824 1.00 0.00 C ATOM 722 CG ARG A 164 70.649 -9.724 -1.084 1.00 0.00 C ATOM 723 CD ARG A 164 71.391 -11.008 -0.711 1.00 0.00 C ATOM 724 NE ARG A 164 70.382 -12.093 -0.872 1.00 0.00 N ATOM 725 CZ ARG A 164 69.979 -12.767 0.170 1.00 0.00 C ATOM 726 NH1 ARG A 164 69.400 -12.149 1.162 1.00 0.00 N1+ ATOM 727 NH2 ARG A 164 70.154 -14.060 0.219 1.00 0.00 N ATOM 0 H ARG A 164 70.915 -6.437 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 164 72.965 -8.599 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 164 71.035 -8.119 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 164 72.275 -9.357 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 164 70.266 -9.239 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 164 69.789 -9.957 -1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 164 72.252 -11.170 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 164 71.766 -10.965 0.312 1.00 0.00 H new ATOM 0 HE ARG A 164 70.007 -12.308 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 164 69.262 -11.139 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 164 69.085 -12.676 1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 164 70.606 -14.543 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 164 69.839 -14.587 1.034 1.00 0.00 H new ATOM 741 N PRO A 165 74.538 -7.655 -1.857 1.00 0.00 N ATOM 742 CA PRO A 165 75.612 -6.908 -2.560 1.00 0.00 C ATOM 743 C PRO A 165 75.200 -6.616 -4.005 1.00 0.00 C ATOM 744 O PRO A 165 74.231 -7.151 -4.506 1.00 0.00 O ATOM 745 CB PRO A 165 76.799 -7.865 -2.517 1.00 0.00 C ATOM 746 CG PRO A 165 76.191 -9.225 -2.380 1.00 0.00 C ATOM 747 CD PRO A 165 74.907 -9.053 -1.611 1.00 0.00 C ATOM 0 HA PRO A 165 75.832 -5.942 -2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.400 -7.790 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.458 -7.640 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 165 75.999 -9.663 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.868 -9.900 -1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 165 74.135 -9.738 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 165 75.048 -9.249 -0.548 1.00 0.00 H new ATOM 755 N LEU A 166 75.931 -5.771 -4.680 1.00 0.00 N ATOM 756 CA LEU A 166 75.582 -5.449 -6.094 1.00 0.00 C ATOM 757 C LEU A 166 76.300 -6.406 -7.051 1.00 0.00 C ATOM 758 O LEU A 166 76.421 -6.142 -8.231 1.00 0.00 O ATOM 759 CB LEU A 166 76.069 -4.015 -6.305 1.00 0.00 C ATOM 760 CG LEU A 166 75.204 -3.056 -5.484 1.00 0.00 C ATOM 761 CD1 LEU A 166 75.759 -1.636 -5.607 1.00 0.00 C ATOM 762 CD2 LEU A 166 73.766 -3.090 -6.006 1.00 0.00 C ATOM 0 H LEU A 166 76.753 -5.290 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 166 74.514 -5.551 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 166 77.113 -3.927 -6.006 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.017 -3.754 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 166 75.217 -3.361 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 166 75.143 -0.953 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 166 76.783 -1.612 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 166 75.747 -1.330 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 166 73.150 -2.407 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 166 73.752 -2.786 -7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 166 73.370 -4.102 -5.917 1.00 0.00 H new ATOM 774 N ALA A 167 76.776 -7.516 -6.554 1.00 0.00 N ATOM 775 CA ALA A 167 77.483 -8.484 -7.439 1.00 0.00 C ATOM 776 C ALA A 167 76.695 -9.794 -7.522 1.00 0.00 C ATOM 777 O ALA A 167 76.333 -10.376 -6.519 1.00 0.00 O ATOM 778 CB ALA A 167 78.841 -8.714 -6.776 1.00 0.00 C ATOM 0 H ALA A 167 76.706 -7.793 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 167 77.588 -8.111 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.422 -9.418 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.378 -7.768 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 167 78.693 -9.120 -5.775 1.00 0.00 H new ATOM 936 N ALA B 127 89.691 7.911 -3.197 1.00 0.00 N ATOM 937 CA ALA B 127 88.751 7.420 -2.148 1.00 0.00 C ATOM 938 C ALA B 127 87.926 6.243 -2.678 1.00 0.00 C ATOM 939 O ALA B 127 86.713 6.244 -2.613 1.00 0.00 O ATOM 940 CB ALA B 127 87.846 8.613 -1.839 1.00 0.00 C ATOM 0 HA ALA B 127 89.275 7.063 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA B 127 87.123 8.332 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.451 9.445 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.318 8.913 -2.744 1.00 0.00 H new ATOM 946 N VAL B 128 88.574 5.235 -3.198 1.00 0.00 N ATOM 947 CA VAL B 128 87.821 4.059 -3.724 1.00 0.00 C ATOM 948 C VAL B 128 88.614 2.772 -3.491 1.00 0.00 C ATOM 949 O VAL B 128 89.810 2.797 -3.274 1.00 0.00 O ATOM 950 CB VAL B 128 87.643 4.322 -5.218 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.575 5.397 -5.417 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.967 4.792 -5.824 1.00 0.00 C ATOM 0 H VAL B 128 89.589 5.175 -3.281 1.00 0.00 H new ATOM 0 HA VAL B 128 86.861 3.933 -3.223 1.00 0.00 H new ATOM 0 HB VAL B 128 87.332 3.402 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.445 5.588 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.631 5.056 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.886 6.315 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.834 4.978 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL B 128 89.286 5.711 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.726 4.022 -5.682 1.00 0.00 H new ATOM 962 N CYS B 129 87.955 1.647 -3.530 1.00 0.00 N ATOM 963 CA CYS B 129 88.665 0.354 -3.305 1.00 0.00 C ATOM 964 C CYS B 129 89.913 0.266 -4.182 1.00 0.00 C ATOM 965 O CYS B 129 89.975 0.838 -5.250 1.00 0.00 O ATOM 966 CB CYS B 129 87.661 -0.722 -3.709 1.00 0.00 C ATOM 967 SG CYS B 129 88.298 -2.350 -3.240 1.00 0.00 S ATOM 0 H CYS B 129 86.954 1.566 -3.708 1.00 0.00 H new ATOM 0 HA CYS B 129 88.996 0.246 -2.272 1.00 0.00 H new ATOM 0 HB2 CYS B 129 86.703 -0.541 -3.222 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.485 -0.685 -4.784 1.00 0.00 H new ATOM 0 HG CYS B 129 89.350 -2.205 -2.490 1.00 0.00 H new ATOM 972 N THR B 130 90.906 -0.455 -3.743 1.00 0.00 N ATOM 973 CA THR B 130 92.141 -0.586 -4.562 1.00 0.00 C ATOM 974 C THR B 130 91.913 -1.620 -5.669 1.00 0.00 C ATOM 975 O THR B 130 92.543 -1.586 -6.707 1.00 0.00 O ATOM 976 CB THR B 130 93.225 -1.057 -3.590 1.00 0.00 C ATOM 977 OG1 THR B 130 94.462 -1.167 -4.282 1.00 0.00 O ATOM 978 CG2 THR B 130 92.843 -2.418 -3.009 1.00 0.00 C ATOM 0 H THR B 130 90.916 -0.957 -2.855 1.00 0.00 H new ATOM 0 HA THR B 130 92.424 0.349 -5.046 1.00 0.00 H new ATOM 0 HB THR B 130 93.321 -0.335 -2.779 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.158 -1.467 -3.661 1.00 0.00 H new ATOM 0 HG21 THR B 130 93.618 -2.749 -2.318 1.00 0.00 H new ATOM 0 HG22 THR B 130 91.895 -2.334 -2.478 1.00 0.00 H new ATOM 0 HG23 THR B 130 92.743 -3.143 -3.817 1.00 0.00 H new ATOM 986 N ARG B 131 91.001 -2.531 -5.454 1.00 0.00 N ATOM 987 CA ARG B 131 90.712 -3.563 -6.490 1.00 0.00 C ATOM 988 C ARG B 131 89.536 -3.107 -7.357 1.00 0.00 C ATOM 989 O ARG B 131 89.651 -2.981 -8.560 1.00 0.00 O ATOM 990 CB ARG B 131 90.345 -4.823 -5.707 1.00 0.00 C ATOM 991 CG ARG B 131 91.389 -5.910 -5.972 1.00 0.00 C ATOM 992 CD ARG B 131 91.477 -6.176 -7.476 1.00 0.00 C ATOM 993 NE ARG B 131 92.003 -7.566 -7.587 1.00 0.00 N ATOM 994 CZ ARG B 131 92.022 -8.166 -8.745 1.00 0.00 C ATOM 995 NH1 ARG B 131 92.305 -7.491 -9.826 1.00 0.00 N ATOM 996 NH2 ARG B 131 91.756 -9.442 -8.825 1.00 0.00 N1+ ATOM 0 H ARG B 131 90.443 -2.604 -4.603 1.00 0.00 H new ATOM 0 HA ARG B 131 91.558 -3.735 -7.156 1.00 0.00 H new ATOM 0 HB2 ARG B 131 90.298 -4.601 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG B 131 89.356 -5.173 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG B 131 92.361 -5.597 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG B 131 91.119 -6.825 -5.445 1.00 0.00 H new ATOM 0 HD2 ARG B 131 90.501 -6.083 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG B 131 92.139 -5.462 -7.966 1.00 0.00 H new ATOM 0 HE ARG B 131 92.348 -8.048 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG B 131 92.511 -6.494 -9.765 1.00 0.00 H new ATOM 0 HH12 ARG B 131 92.320 -7.961 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG B 131 91.533 -9.970 -7.981 1.00 0.00 H new ATOM 0 HH22 ARG B 131 91.771 -9.910 -9.731 1.00 0.00 H new ATOM 1010 N CYS B 132 88.405 -2.847 -6.754 1.00 0.00 N ATOM 1011 CA CYS B 132 87.229 -2.387 -7.549 1.00 0.00 C ATOM 1012 C CYS B 132 87.489 -0.973 -8.073 1.00 0.00 C ATOM 1013 O CYS B 132 86.971 -0.572 -9.095 1.00 0.00 O ATOM 1014 CB CYS B 132 86.052 -2.394 -6.571 1.00 0.00 C ATOM 1015 SG CYS B 132 85.496 -4.096 -6.309 1.00 0.00 S ATOM 0 H CYS B 132 88.246 -2.933 -5.750 1.00 0.00 H new ATOM 0 HA CYS B 132 87.032 -3.023 -8.412 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.351 -1.948 -5.623 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.235 -1.790 -6.964 1.00 0.00 H new ATOM 0 HG CYS B 132 84.498 -4.103 -5.476 1.00 0.00 H new ATOM 1020 N LYS B 133 88.303 -0.225 -7.378 1.00 0.00 N ATOM 1021 CA LYS B 133 88.630 1.162 -7.821 1.00 0.00 C ATOM 1022 C LYS B 133 87.409 2.082 -7.715 1.00 0.00 C ATOM 1023 O LYS B 133 87.437 3.207 -8.169 1.00 0.00 O ATOM 1024 CB LYS B 133 89.124 1.005 -9.276 1.00 0.00 C ATOM 1025 CG LYS B 133 88.099 1.526 -10.298 1.00 0.00 C ATOM 1026 CD LYS B 133 88.405 2.989 -10.631 1.00 0.00 C ATOM 1027 CE LYS B 133 87.100 3.725 -10.946 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.470 4.734 -11.977 1.00 0.00 N1+ ATOM 0 H LYS B 133 88.760 -0.518 -6.514 1.00 0.00 H new ATOM 0 HA LYS B 133 89.388 1.631 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.063 1.544 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.331 -0.046 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.134 0.921 -11.204 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.090 1.438 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS B 133 88.910 3.466 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS B 133 89.082 3.045 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS B 133 86.339 3.039 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.690 4.202 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.627 5.281 -12.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 88.191 5.377 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 87.851 4.250 -12.815 1.00 0.00 H new ATOM 1042 N GLU B 134 86.338 1.631 -7.107 1.00 0.00 N ATOM 1043 CA GLU B 134 85.139 2.518 -6.988 1.00 0.00 C ATOM 1044 C GLU B 134 84.030 1.845 -6.179 1.00 0.00 C ATOM 1045 O GLU B 134 84.093 0.675 -5.864 1.00 0.00 O ATOM 1046 CB GLU B 134 84.662 2.746 -8.423 1.00 0.00 C ATOM 1047 CG GLU B 134 84.219 1.412 -9.028 1.00 0.00 C ATOM 1048 CD GLU B 134 84.473 1.425 -10.536 1.00 0.00 C ATOM 1049 OE1 GLU B 134 83.999 2.341 -11.189 1.00 0.00 O1- ATOM 1050 OE2 GLU B 134 85.137 0.519 -11.014 1.00 0.00 O ATOM 0 H GLU B 134 86.242 0.703 -6.694 1.00 0.00 H new ATOM 0 HA GLU B 134 85.387 3.447 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.835 3.456 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.464 3.181 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU B 134 84.765 0.591 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU B 134 83.161 1.244 -8.828 1.00 0.00 H new ATOM 1057 N SER B 135 83.003 2.588 -5.857 1.00 0.00 N ATOM 1058 CA SER B 135 81.863 2.018 -5.081 1.00 0.00 C ATOM 1059 C SER B 135 82.310 1.625 -3.671 1.00 0.00 C ATOM 1060 O SER B 135 81.709 0.784 -3.033 1.00 0.00 O ATOM 1061 CB SER B 135 81.421 0.782 -5.868 1.00 0.00 C ATOM 1062 OG SER B 135 80.035 0.883 -6.166 1.00 0.00 O ATOM 0 H SER B 135 82.905 3.574 -6.101 1.00 0.00 H new ATOM 0 HA SER B 135 81.053 2.738 -4.962 1.00 0.00 H new ATOM 0 HB2 SER B 135 81.997 0.699 -6.789 1.00 0.00 H new ATOM 0 HB3 SER B 135 81.615 -0.120 -5.288 1.00 0.00 H new ATOM 0 HG SER B 135 79.527 0.304 -5.560 1.00 0.00 H new ATOM 1068 N ALA B 136 83.362 2.221 -3.178 1.00 0.00 N ATOM 1069 CA ALA B 136 83.841 1.870 -1.808 1.00 0.00 C ATOM 1070 C ALA B 136 83.477 2.985 -0.823 1.00 0.00 C ATOM 1071 O ALA B 136 82.857 3.963 -1.181 1.00 0.00 O ATOM 1072 CB ALA B 136 85.360 1.754 -1.934 1.00 0.00 C ATOM 0 H ALA B 136 83.909 2.933 -3.662 1.00 0.00 H new ATOM 0 HA ALA B 136 83.389 0.950 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA B 136 85.787 1.497 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.607 0.976 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA B 136 85.771 2.706 -2.271 1.00 0.00 H new ATOM 1078 N ASP B 137 83.865 2.849 0.416 1.00 0.00 N ATOM 1079 CA ASP B 137 83.547 3.909 1.416 1.00 0.00 C ATOM 1080 C ASP B 137 84.275 3.630 2.733 1.00 0.00 C ATOM 1081 O ASP B 137 83.801 3.974 3.798 1.00 0.00 O ATOM 1082 CB ASP B 137 82.033 3.832 1.613 1.00 0.00 C ATOM 1083 CG ASP B 137 81.401 5.172 1.232 1.00 0.00 C ATOM 1084 OD1 ASP B 137 81.903 5.801 0.316 1.00 0.00 O ATOM 1085 OD2 ASP B 137 80.426 5.545 1.865 1.00 0.00 O1- ATOM 0 H ASP B 137 84.387 2.052 0.779 1.00 0.00 H new ATOM 0 HA ASP B 137 83.863 4.897 1.082 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.616 3.033 1.000 1.00 0.00 H new ATOM 0 HB3 ASP B 137 81.802 3.591 2.651 1.00 0.00 H new ATOM 1090 N PHE B 138 85.423 3.012 2.669 1.00 0.00 N ATOM 1091 CA PHE B 138 86.180 2.713 3.918 1.00 0.00 C ATOM 1092 C PHE B 138 87.653 2.457 3.596 1.00 0.00 C ATOM 1093 O PHE B 138 87.983 1.817 2.617 1.00 0.00 O ATOM 1094 CB PHE B 138 85.535 1.447 4.482 1.00 0.00 C ATOM 1095 CG PHE B 138 84.313 1.820 5.284 1.00 0.00 C ATOM 1096 CD1 PHE B 138 84.453 2.495 6.502 1.00 0.00 C ATOM 1097 CD2 PHE B 138 83.038 1.494 4.807 1.00 0.00 C ATOM 1098 CE1 PHE B 138 83.318 2.844 7.243 1.00 0.00 C ATOM 1099 CE2 PHE B 138 81.904 1.842 5.547 1.00 0.00 C ATOM 1100 CZ PHE B 138 82.043 2.518 6.766 1.00 0.00 C ATOM 0 H PHE B 138 85.869 2.701 1.806 1.00 0.00 H new ATOM 0 HA PHE B 138 86.145 3.541 4.626 1.00 0.00 H new ATOM 0 HB2 PHE B 138 85.259 0.774 3.670 1.00 0.00 H new ATOM 0 HB3 PHE B 138 86.247 0.913 5.111 1.00 0.00 H new ATOM 0 HD1 PHE B 138 85.437 2.747 6.870 1.00 0.00 H new ATOM 0 HD2 PHE B 138 82.930 0.973 3.867 1.00 0.00 H new ATOM 0 HE1 PHE B 138 83.426 3.365 8.183 1.00 0.00 H new ATOM 0 HE2 PHE B 138 80.921 1.590 5.179 1.00 0.00 H new ATOM 0 HZ PHE B 138 81.167 2.787 7.337 1.00 0.00 H new ATOM 1110 N TRP B 139 88.540 2.946 4.416 1.00 0.00 N ATOM 1111 CA TRP B 139 89.990 2.723 4.161 1.00 0.00 C ATOM 1112 C TRP B 139 90.673 2.238 5.441 1.00 0.00 C ATOM 1113 O TRP B 139 90.453 2.766 6.512 1.00 0.00 O ATOM 1114 CB TRP B 139 90.535 4.087 3.720 1.00 0.00 C ATOM 1115 CG TRP B 139 91.327 4.712 4.826 1.00 0.00 C ATOM 1116 CD1 TRP B 139 92.598 4.383 5.159 1.00 0.00 C ATOM 1117 CD2 TRP B 139 90.929 5.777 5.737 1.00 0.00 C ATOM 1118 NE1 TRP B 139 92.999 5.170 6.223 1.00 0.00 N ATOM 1119 CE2 TRP B 139 92.007 6.046 6.614 1.00 0.00 C ATOM 1120 CE3 TRP B 139 89.747 6.526 5.888 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 91.916 7.023 7.606 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 89.653 7.511 6.884 1.00 0.00 C ATOM 1123 CH2 TRP B 139 90.734 7.759 7.743 1.00 0.00 C ATOM 0 H TRP B 139 88.324 3.490 5.251 1.00 0.00 H new ATOM 0 HA TRP B 139 90.171 1.962 3.402 1.00 0.00 H new ATOM 0 HB2 TRP B 139 91.163 3.967 2.837 1.00 0.00 H new ATOM 0 HB3 TRP B 139 89.710 4.742 3.439 1.00 0.00 H new ATOM 0 HD1 TRP B 139 93.200 3.629 4.673 1.00 0.00 H new ATOM 0 HE1 TRP B 139 93.916 5.110 6.665 1.00 0.00 H new ATOM 0 HE3 TRP B 139 88.908 6.342 5.234 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 92.752 7.210 8.264 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 88.742 8.082 6.990 1.00 0.00 H new ATOM 0 HH2 TRP B 139 90.654 8.517 8.509 1.00 0.00 H new ATOM 1134 N CYS B 140 91.493 1.231 5.338 1.00 0.00 N ATOM 1135 CA CYS B 140 92.184 0.704 6.549 1.00 0.00 C ATOM 1136 C CYS B 140 93.248 1.696 7.029 1.00 0.00 C ATOM 1137 O CYS B 140 94.032 2.205 6.252 1.00 0.00 O ATOM 1138 CB CYS B 140 92.834 -0.602 6.096 1.00 0.00 C ATOM 1139 SG CYS B 140 91.669 -1.968 6.324 1.00 0.00 S ATOM 0 H CYS B 140 91.716 0.749 4.467 1.00 0.00 H new ATOM 0 HA CYS B 140 91.497 0.551 7.381 1.00 0.00 H new ATOM 0 HB2 CYS B 140 93.126 -0.531 5.048 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.743 -0.786 6.669 1.00 0.00 H new ATOM 0 HG CYS B 140 92.222 -3.079 5.937 1.00 0.00 H new ATOM 1144 N PHE B 141 93.282 1.969 8.305 1.00 0.00 N ATOM 1145 CA PHE B 141 94.295 2.924 8.836 1.00 0.00 C ATOM 1146 C PHE B 141 95.673 2.257 8.884 1.00 0.00 C ATOM 1147 O PHE B 141 96.677 2.860 8.562 1.00 0.00 O ATOM 1148 CB PHE B 141 93.813 3.267 10.246 1.00 0.00 C ATOM 1149 CG PHE B 141 94.937 3.915 11.019 1.00 0.00 C ATOM 1150 CD1 PHE B 141 95.687 4.941 10.433 1.00 0.00 C ATOM 1151 CD2 PHE B 141 95.229 3.490 12.320 1.00 0.00 C ATOM 1152 CE1 PHE B 141 96.729 5.543 11.148 1.00 0.00 C ATOM 1153 CE2 PHE B 141 96.270 4.091 13.036 1.00 0.00 C ATOM 1154 CZ PHE B 141 97.021 5.117 12.450 1.00 0.00 C ATOM 0 H PHE B 141 92.652 1.572 9.002 1.00 0.00 H new ATOM 0 HA PHE B 141 94.395 3.813 8.213 1.00 0.00 H new ATOM 0 HB2 PHE B 141 92.957 3.940 10.196 1.00 0.00 H new ATOM 0 HB3 PHE B 141 93.479 2.364 10.757 1.00 0.00 H new ATOM 0 HD1 PHE B 141 95.462 5.268 9.429 1.00 0.00 H new ATOM 0 HD2 PHE B 141 94.650 2.698 12.772 1.00 0.00 H new ATOM 0 HE1 PHE B 141 97.307 6.335 10.696 1.00 0.00 H new ATOM 0 HE2 PHE B 141 96.494 3.764 14.040 1.00 0.00 H new ATOM 0 HZ PHE B 141 97.826 5.580 13.002 1.00 0.00 H new ATOM 1164 N GLU B 142 95.726 1.015 9.283 1.00 0.00 N ATOM 1165 CA GLU B 142 97.037 0.308 9.349 1.00 0.00 C ATOM 1166 C GLU B 142 97.486 -0.109 7.945 1.00 0.00 C ATOM 1167 O GLU B 142 98.598 0.157 7.533 1.00 0.00 O ATOM 1168 CB GLU B 142 96.781 -0.924 10.218 1.00 0.00 C ATOM 1169 CG GLU B 142 97.342 -0.684 11.621 1.00 0.00 C ATOM 1170 CD GLU B 142 98.457 -1.693 11.904 1.00 0.00 C ATOM 1171 OE1 GLU B 142 99.100 -2.117 10.958 1.00 0.00 O ATOM 1172 OE2 GLU B 142 98.648 -2.026 13.062 1.00 0.00 O1- ATOM 0 H GLU B 142 94.919 0.460 9.566 1.00 0.00 H new ATOM 0 HA GLU B 142 97.825 0.939 9.759 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.712 -1.128 10.272 1.00 0.00 H new ATOM 0 HB3 GLU B 142 97.251 -1.801 9.772 1.00 0.00 H new ATOM 0 HG2 GLU B 142 97.728 0.332 11.701 1.00 0.00 H new ATOM 0 HG3 GLU B 142 96.550 -0.784 12.363 1.00 0.00 H new ATOM 1179 N CYS B 143 96.628 -0.759 7.205 1.00 0.00 N ATOM 1180 CA CYS B 143 97.008 -1.191 5.828 1.00 0.00 C ATOM 1181 C CYS B 143 97.216 0.031 4.927 1.00 0.00 C ATOM 1182 O CYS B 143 97.858 -0.046 3.899 1.00 0.00 O ATOM 1183 CB CYS B 143 95.827 -2.028 5.332 1.00 0.00 C ATOM 1184 SG CYS B 143 95.481 -3.349 6.521 1.00 0.00 S ATOM 0 H CYS B 143 95.682 -1.009 7.493 1.00 0.00 H new ATOM 0 HA CYS B 143 97.940 -1.756 5.817 1.00 0.00 H new ATOM 0 HB2 CYS B 143 94.947 -1.397 5.207 1.00 0.00 H new ATOM 0 HB3 CYS B 143 96.055 -2.454 4.355 1.00 0.00 H new ATOM 0 HG CYS B 143 94.692 -2.900 7.451 1.00 0.00 H new ATOM 1189 N GLU B 144 96.676 1.158 5.307 1.00 0.00 N ATOM 1190 CA GLU B 144 96.842 2.388 4.477 1.00 0.00 C ATOM 1191 C GLU B 144 96.296 2.162 3.064 1.00 0.00 C ATOM 1192 O GLU B 144 96.738 2.774 2.113 1.00 0.00 O ATOM 1193 CB GLU B 144 98.350 2.641 4.437 1.00 0.00 C ATOM 1194 CG GLU B 144 98.920 2.550 5.854 1.00 0.00 C ATOM 1195 CD GLU B 144 99.685 3.835 6.178 1.00 0.00 C ATOM 1196 OE1 GLU B 144 100.462 4.265 5.342 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 99.480 4.366 7.257 1.00 0.00 O ATOM 0 H GLU B 144 96.126 1.281 6.157 1.00 0.00 H new ATOM 0 HA GLU B 144 96.297 3.236 4.890 1.00 0.00 H new ATOM 0 HB2 GLU B 144 98.835 1.910 3.791 1.00 0.00 H new ATOM 0 HB3 GLU B 144 98.553 3.625 4.014 1.00 0.00 H new ATOM 0 HG2 GLU B 144 98.114 2.402 6.573 1.00 0.00 H new ATOM 0 HG3 GLU B 144 99.583 1.689 5.937 1.00 0.00 H new ATOM 1204 N GLN B 145 95.334 1.290 2.919 1.00 0.00 N ATOM 1205 CA GLN B 145 94.761 1.035 1.566 1.00 0.00 C ATOM 1206 C GLN B 145 93.242 1.229 1.591 1.00 0.00 C ATOM 1207 O GLN B 145 92.623 1.218 2.636 1.00 0.00 O ATOM 1208 CB GLN B 145 95.116 -0.419 1.249 1.00 0.00 C ATOM 1209 CG GLN B 145 94.403 -1.352 2.230 1.00 0.00 C ATOM 1210 CD GLN B 145 94.546 -2.798 1.752 1.00 0.00 C ATOM 1211 OE1 GLN B 145 93.478 -3.536 1.615 1.00 0.00 O flip ATOM 1212 NE2 GLN B 145 95.641 -3.261 1.499 1.00 0.00 N flip ATOM 0 H GLN B 145 94.922 0.745 3.676 1.00 0.00 H new ATOM 0 HA GLN B 145 95.155 1.720 0.815 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.824 -0.660 0.227 1.00 0.00 H new ATOM 0 HB3 GLN B 145 96.195 -0.562 1.315 1.00 0.00 H new ATOM 0 HG2 GLN B 145 94.829 -1.243 3.227 1.00 0.00 H new ATOM 0 HG3 GLN B 145 93.349 -1.084 2.303 1.00 0.00 H new ATOM 0 HE21 GLN B 145 96.476 -2.684 1.606 1.00 0.00 H new ATOM 0 HE22 GLN B 145 95.725 -4.226 1.180 1.00 0.00 H new ATOM 1221 N LEU B 146 92.638 1.407 0.448 1.00 0.00 N ATOM 1222 CA LEU B 146 91.160 1.602 0.410 1.00 0.00 C ATOM 1223 C LEU B 146 90.455 0.254 0.251 1.00 0.00 C ATOM 1224 O LEU B 146 91.057 -0.730 -0.131 1.00 0.00 O ATOM 1225 CB LEU B 146 90.909 2.488 -0.809 1.00 0.00 C ATOM 1226 CG LEU B 146 91.689 3.796 -0.654 1.00 0.00 C ATOM 1227 CD1 LEU B 146 93.005 3.700 -1.429 1.00 0.00 C ATOM 1228 CD2 LEU B 146 90.855 4.955 -1.204 1.00 0.00 C ATOM 0 H LEU B 146 93.103 1.426 -0.460 1.00 0.00 H new ATOM 0 HA LEU B 146 90.778 2.053 1.326 1.00 0.00 H new ATOM 0 HB2 LEU B 146 91.219 1.972 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.844 2.696 -0.908 1.00 0.00 H new ATOM 0 HG LEU B 146 91.901 3.970 0.401 1.00 0.00 H new ATOM 0 HD11 LEU B 146 93.561 4.631 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU B 146 93.599 2.874 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU B 146 92.794 3.526 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU B 146 91.410 5.887 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU B 146 90.642 4.782 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU B 146 89.918 5.023 -0.651 1.00 0.00 H new ATOM 1240 N LEU B 147 89.183 0.201 0.538 1.00 0.00 N ATOM 1241 CA LEU B 147 88.443 -1.085 0.402 1.00 0.00 C ATOM 1242 C LEU B 147 86.972 -0.811 0.091 1.00 0.00 C ATOM 1243 O LEU B 147 86.403 0.163 0.541 1.00 0.00 O ATOM 1244 CB LEU B 147 88.583 -1.775 1.760 1.00 0.00 C ATOM 1245 CG LEU B 147 89.965 -2.428 1.874 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.077 -3.147 3.219 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.148 -3.439 0.740 1.00 0.00 C ATOM 0 H LEU B 147 88.625 0.992 0.860 1.00 0.00 H new ATOM 0 HA LEU B 147 88.834 -1.702 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.447 -1.049 2.562 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.804 -2.529 1.877 1.00 0.00 H new ATOM 0 HG LEU B 147 90.736 -1.661 1.804 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.059 -3.612 3.302 1.00 0.00 H new ATOM 0 HD12 LEU B 147 89.946 -2.428 4.028 1.00 0.00 H new ATOM 0 HD13 LEU B 147 89.305 -3.914 3.287 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.131 -3.903 0.821 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.377 -4.207 0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 147 90.066 -2.928 -0.219 1.00 0.00 H new ATOM 1259 N CYS B 148 86.359 -1.661 -0.681 1.00 0.00 N ATOM 1260 CA CYS B 148 84.928 -1.454 -1.033 1.00 0.00 C ATOM 1261 C CYS B 148 84.017 -2.154 -0.020 1.00 0.00 C ATOM 1262 O CYS B 148 84.453 -2.987 0.748 1.00 0.00 O ATOM 1263 CB CYS B 148 84.785 -2.089 -2.411 1.00 0.00 C ATOM 1264 SG CYS B 148 83.969 -0.951 -3.543 1.00 0.00 S ATOM 0 H CYS B 148 86.788 -2.493 -1.085 1.00 0.00 H new ATOM 0 HA CYS B 148 84.644 -0.402 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS B 148 85.768 -2.356 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS B 148 84.210 -3.012 -2.336 1.00 0.00 H new ATOM 0 HG CYS B 148 82.839 -0.564 -3.030 1.00 0.00 H new ATOM 1269 N ALA B 149 82.755 -1.822 -0.015 1.00 0.00 N ATOM 1270 CA ALA B 149 81.816 -2.469 0.946 1.00 0.00 C ATOM 1271 C ALA B 149 81.978 -3.991 0.902 1.00 0.00 C ATOM 1272 O ALA B 149 81.980 -4.654 1.920 1.00 0.00 O ATOM 1273 CB ALA B 149 80.421 -2.066 0.469 1.00 0.00 C ATOM 0 H ALA B 149 82.333 -1.131 -0.635 1.00 0.00 H new ATOM 0 HA ALA B 149 82.001 -2.160 1.975 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.671 -2.504 1.127 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.330 -0.980 0.487 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.266 -2.426 -0.548 1.00 0.00 H new ATOM 1279 N LYS B 150 82.117 -4.549 -0.269 1.00 0.00 N ATOM 1280 CA LYS B 150 82.279 -6.028 -0.374 1.00 0.00 C ATOM 1281 C LYS B 150 83.686 -6.440 0.072 1.00 0.00 C ATOM 1282 O LYS B 150 83.931 -7.580 0.413 1.00 0.00 O ATOM 1283 CB LYS B 150 82.074 -6.345 -1.856 1.00 0.00 C ATOM 1284 CG LYS B 150 82.924 -7.558 -2.240 1.00 0.00 C ATOM 1285 CD LYS B 150 82.316 -8.239 -3.467 1.00 0.00 C ATOM 1286 CE LYS B 150 83.110 -7.844 -4.714 1.00 0.00 C ATOM 1287 NZ LYS B 150 82.756 -8.871 -5.734 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.126 -4.047 -1.157 1.00 0.00 H new ATOM 0 HA LYS B 150 81.574 -6.566 0.260 1.00 0.00 H new ATOM 0 HB2 LYS B 150 81.021 -6.548 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS B 150 82.352 -5.485 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS B 150 83.946 -7.246 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS B 150 82.972 -8.260 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS B 150 82.331 -9.322 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS B 150 81.272 -7.946 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS B 150 82.843 -6.843 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS B 150 84.182 -7.838 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 83.262 -8.669 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 83.028 -9.813 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 81.731 -8.849 -5.908 1.00 0.00 H new ATOM 1301 N CYS B 151 84.612 -5.521 0.074 1.00 0.00 N ATOM 1302 CA CYS B 151 85.999 -5.863 0.501 1.00 0.00 C ATOM 1303 C CYS B 151 86.173 -5.584 1.998 1.00 0.00 C ATOM 1304 O CYS B 151 86.676 -6.406 2.741 1.00 0.00 O ATOM 1305 CB CYS B 151 86.909 -4.947 -0.324 1.00 0.00 C ATOM 1306 SG CYS B 151 86.257 -4.786 -2.007 1.00 0.00 S ATOM 0 H CYS B 151 84.469 -4.549 -0.201 1.00 0.00 H new ATOM 0 HA CYS B 151 86.232 -6.916 0.342 1.00 0.00 H new ATOM 0 HB2 CYS B 151 86.974 -3.966 0.146 1.00 0.00 H new ATOM 0 HB3 CYS B 151 87.920 -5.354 -0.353 1.00 0.00 H new ATOM 0 HG CYS B 151 87.030 -4.003 -2.699 1.00 0.00 H new ATOM 1311 N PHE B 152 85.759 -4.430 2.443 1.00 0.00 N ATOM 1312 CA PHE B 152 85.895 -4.087 3.888 1.00 0.00 C ATOM 1313 C PHE B 152 85.008 -4.999 4.740 1.00 0.00 C ATOM 1314 O PHE B 152 85.429 -5.518 5.754 1.00 0.00 O ATOM 1315 CB PHE B 152 85.430 -2.634 3.988 1.00 0.00 C ATOM 1316 CG PHE B 152 84.867 -2.373 5.365 1.00 0.00 C ATOM 1317 CD1 PHE B 152 85.727 -2.239 6.461 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.483 -2.262 5.544 1.00 0.00 C ATOM 1319 CE1 PHE B 152 85.204 -1.994 7.737 1.00 0.00 C ATOM 1320 CE2 PHE B 152 82.959 -2.017 6.818 1.00 0.00 C ATOM 1321 CZ PHE B 152 83.819 -1.884 7.915 1.00 0.00 C ATOM 0 H PHE B 152 85.330 -3.706 1.866 1.00 0.00 H new ATOM 0 HA PHE B 152 86.914 -4.217 4.251 1.00 0.00 H new ATOM 0 HB2 PHE B 152 86.265 -1.961 3.792 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.673 -2.432 3.231 1.00 0.00 H new ATOM 0 HD1 PHE B 152 86.795 -2.325 6.323 1.00 0.00 H new ATOM 0 HD2 PHE B 152 82.819 -2.366 4.698 1.00 0.00 H new ATOM 0 HE1 PHE B 152 85.868 -1.890 8.583 1.00 0.00 H new ATOM 0 HE2 PHE B 152 81.891 -1.930 6.955 1.00 0.00 H new ATOM 0 HZ PHE B 152 83.414 -1.697 8.899 1.00 0.00 H new ATOM 1331 N GLU B 153 83.782 -5.199 4.338 1.00 0.00 N ATOM 1332 CA GLU B 153 82.874 -6.078 5.130 1.00 0.00 C ATOM 1333 C GLU B 153 83.513 -7.455 5.333 1.00 0.00 C ATOM 1334 O GLU B 153 83.516 -7.993 6.422 1.00 0.00 O ATOM 1335 CB GLU B 153 81.600 -6.196 4.291 1.00 0.00 C ATOM 1336 CG GLU B 153 80.472 -6.757 5.157 1.00 0.00 C ATOM 1337 CD GLU B 153 80.236 -8.226 4.799 1.00 0.00 C ATOM 1338 OE1 GLU B 153 81.105 -9.033 5.090 1.00 0.00 O ATOM 1339 OE2 GLU B 153 79.192 -8.520 4.242 1.00 0.00 O1- ATOM 0 H GLU B 153 83.371 -4.793 3.498 1.00 0.00 H new ATOM 0 HA GLU B 153 82.672 -5.673 6.121 1.00 0.00 H new ATOM 0 HB2 GLU B 153 81.319 -5.219 3.897 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.774 -6.847 3.435 1.00 0.00 H new ATOM 0 HG2 GLU B 153 80.729 -6.666 6.212 1.00 0.00 H new ATOM 0 HG3 GLU B 153 79.559 -6.182 5.001 1.00 0.00 H new ATOM 1346 N ALA B 154 84.058 -8.028 4.293 1.00 0.00 N ATOM 1347 CA ALA B 154 84.696 -9.369 4.433 1.00 0.00 C ATOM 1348 C ALA B 154 85.878 -9.290 5.404 1.00 0.00 C ATOM 1349 O ALA B 154 86.071 -10.156 6.232 1.00 0.00 O ATOM 1350 CB ALA B 154 85.176 -9.727 3.027 1.00 0.00 C ATOM 0 H ALA B 154 84.089 -7.627 3.356 1.00 0.00 H new ATOM 0 HA ALA B 154 84.009 -10.117 4.830 1.00 0.00 H new ATOM 0 HB1 ALA B 154 85.659 -10.704 3.045 1.00 0.00 H new ATOM 0 HB2 ALA B 154 84.324 -9.756 2.348 1.00 0.00 H new ATOM 0 HB3 ALA B 154 85.888 -8.977 2.684 1.00 0.00 H new ATOM 1356 N HIS B 155 86.669 -8.256 5.306 1.00 0.00 N ATOM 1357 CA HIS B 155 87.837 -8.121 6.226 1.00 0.00 C ATOM 1358 C HIS B 155 87.359 -8.037 7.679 1.00 0.00 C ATOM 1359 O HIS B 155 87.751 -8.824 8.521 1.00 0.00 O ATOM 1360 CB HIS B 155 88.515 -6.814 5.809 1.00 0.00 C ATOM 1361 CG HIS B 155 89.875 -6.725 6.444 1.00 0.00 C ATOM 1362 ND1 HIS B 155 90.743 -7.805 6.489 1.00 0.00 N ATOM 1363 CD2 HIS B 155 90.533 -5.689 7.061 1.00 0.00 C ATOM 1364 CE1 HIS B 155 91.864 -7.397 7.113 1.00 0.00 C ATOM 1365 NE2 HIS B 155 91.789 -6.116 7.482 1.00 0.00 N ATOM 0 H HIS B 155 86.558 -7.500 4.630 1.00 0.00 H new ATOM 0 HA HIS B 155 88.515 -8.973 6.164 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.606 -6.770 4.724 1.00 0.00 H new ATOM 0 HB3 HIS B 155 87.905 -5.963 6.112 1.00 0.00 H new ATOM 0 HD1 HIS B 155 90.565 -8.738 6.117 1.00 0.00 H new ATOM 0 HD2 HIS B 155 90.136 -4.694 7.199 1.00 0.00 H new ATOM 0 HE1 HIS B 155 92.721 -8.030 7.293 1.00 0.00 H new ATOM 1373 N GLN B 156 86.513 -7.089 7.977 1.00 0.00 N ATOM 1374 CA GLN B 156 86.006 -6.948 9.372 1.00 0.00 C ATOM 1375 C GLN B 156 85.399 -8.268 9.854 1.00 0.00 C ATOM 1376 O GLN B 156 85.280 -8.511 11.038 1.00 0.00 O ATOM 1377 CB GLN B 156 84.932 -5.862 9.292 1.00 0.00 C ATOM 1378 CG GLN B 156 84.858 -5.119 10.628 1.00 0.00 C ATOM 1379 CD GLN B 156 83.774 -4.042 10.552 1.00 0.00 C ATOM 1380 OE1 GLN B 156 84.074 -2.808 10.857 1.00 0.00 O flip ATOM 1381 NE2 GLN B 156 82.643 -4.325 10.212 1.00 0.00 N flip ATOM 0 H GLN B 156 86.150 -6.405 7.313 1.00 0.00 H new ATOM 0 HA GLN B 156 86.798 -6.690 10.075 1.00 0.00 H new ATOM 0 HB2 GLN B 156 85.165 -5.164 8.488 1.00 0.00 H new ATOM 0 HB3 GLN B 156 83.965 -6.308 9.058 1.00 0.00 H new ATOM 0 HG2 GLN B 156 84.635 -5.818 11.434 1.00 0.00 H new ATOM 0 HG3 GLN B 156 85.822 -4.665 10.858 1.00 0.00 H new ATOM 0 HE21 GLN B 156 82.408 -5.289 9.974 1.00 0.00 H new ATOM 0 HE22 GLN B 156 81.928 -3.599 10.165 1.00 0.00 H new ATOM 1390 N TRP B 157 85.015 -9.125 8.947 1.00 0.00 N ATOM 1391 CA TRP B 157 84.418 -10.427 9.361 1.00 0.00 C ATOM 1392 C TRP B 157 85.477 -11.529 9.297 1.00 0.00 C ATOM 1393 O TRP B 157 85.388 -12.531 9.979 1.00 0.00 O ATOM 1394 CB TRP B 157 83.301 -10.693 8.353 1.00 0.00 C ATOM 1395 CG TRP B 157 82.338 -11.680 8.931 1.00 0.00 C ATOM 1396 CD1 TRP B 157 82.316 -13.002 8.645 1.00 0.00 C ATOM 1397 CD2 TRP B 157 81.262 -11.451 9.888 1.00 0.00 C ATOM 1398 NE1 TRP B 157 81.296 -13.598 9.364 1.00 0.00 N ATOM 1399 CE2 TRP B 157 80.618 -12.684 10.144 1.00 0.00 C ATOM 1400 CE3 TRP B 157 80.788 -10.305 10.550 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 79.541 -12.777 11.028 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 79.705 -10.395 11.440 1.00 0.00 C ATOM 1403 CH2 TRP B 157 79.083 -11.628 11.678 1.00 0.00 C ATOM 0 H TRP B 157 85.089 -8.981 7.940 1.00 0.00 H new ATOM 0 HA TRP B 157 84.040 -10.405 10.383 1.00 0.00 H new ATOM 0 HB2 TRP B 157 82.785 -9.764 8.111 1.00 0.00 H new ATOM 0 HB3 TRP B 157 83.719 -11.078 7.423 1.00 0.00 H new ATOM 0 HD1 TRP B 157 82.986 -13.509 7.966 1.00 0.00 H new ATOM 0 HE1 TRP B 157 81.072 -14.592 9.323 1.00 0.00 H new ATOM 0 HE3 TRP B 157 81.259 -9.350 10.373 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 79.066 -13.730 11.208 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 79.349 -9.508 11.944 1.00 0.00 H new ATOM 0 HH2 TRP B 157 78.250 -11.690 12.363 1.00 0.00 H new ATOM 1414 N PHE B 158 86.483 -11.350 8.484 1.00 0.00 N ATOM 1415 CA PHE B 158 87.550 -12.385 8.381 1.00 0.00 C ATOM 1416 C PHE B 158 88.450 -12.339 9.617 1.00 0.00 C ATOM 1417 O PHE B 158 89.160 -13.280 9.914 1.00 0.00 O ATOM 1418 CB PHE B 158 88.343 -12.018 7.126 1.00 0.00 C ATOM 1419 CG PHE B 158 88.158 -13.094 6.083 1.00 0.00 C ATOM 1420 CD1 PHE B 158 86.876 -13.399 5.613 1.00 0.00 C ATOM 1421 CD2 PHE B 158 89.270 -13.785 5.585 1.00 0.00 C ATOM 1422 CE1 PHE B 158 86.704 -14.396 4.646 1.00 0.00 C ATOM 1423 CE2 PHE B 158 89.097 -14.782 4.618 1.00 0.00 C ATOM 1424 CZ PHE B 158 87.814 -15.088 4.148 1.00 0.00 C ATOM 0 H PHE B 158 86.612 -10.533 7.888 1.00 0.00 H new ATOM 0 HA PHE B 158 87.141 -13.394 8.322 1.00 0.00 H new ATOM 0 HB2 PHE B 158 88.005 -11.057 6.737 1.00 0.00 H new ATOM 0 HB3 PHE B 158 89.400 -11.910 7.369 1.00 0.00 H new ATOM 0 HD1 PHE B 158 86.019 -12.865 5.996 1.00 0.00 H new ATOM 0 HD2 PHE B 158 90.260 -13.549 5.947 1.00 0.00 H new ATOM 0 HE1 PHE B 158 85.714 -14.632 4.284 1.00 0.00 H new ATOM 0 HE2 PHE B 158 89.954 -15.316 4.234 1.00 0.00 H new ATOM 0 HZ PHE B 158 87.681 -15.857 3.402 1.00 0.00 H new ATOM 1434 N LEU B 159 88.432 -11.253 10.337 1.00 0.00 N ATOM 1435 CA LEU B 159 89.293 -11.155 11.548 1.00 0.00 C ATOM 1436 C LEU B 159 88.942 -9.892 12.344 1.00 0.00 C ATOM 1437 O LEU B 159 87.796 -9.495 12.417 1.00 0.00 O ATOM 1438 CB LEU B 159 90.707 -11.076 10.990 1.00 0.00 C ATOM 1439 CG LEU B 159 90.800 -9.862 10.077 1.00 0.00 C ATOM 1440 CD1 LEU B 159 91.772 -8.840 10.669 1.00 0.00 C ATOM 1441 CD2 LEU B 159 91.294 -10.312 8.712 1.00 0.00 C ATOM 0 H LEU B 159 87.860 -10.431 10.140 1.00 0.00 H new ATOM 0 HA LEU B 159 89.167 -11.994 12.233 1.00 0.00 H new ATOM 0 HB2 LEU B 159 91.430 -10.996 11.802 1.00 0.00 H new ATOM 0 HB3 LEU B 159 90.947 -11.984 10.438 1.00 0.00 H new ATOM 0 HG LEU B 159 89.819 -9.398 9.980 1.00 0.00 H new ATOM 0 HD11 LEU B 159 91.834 -7.973 10.011 1.00 0.00 H new ATOM 0 HD12 LEU B 159 91.416 -8.526 11.650 1.00 0.00 H new ATOM 0 HD13 LEU B 159 92.759 -9.292 10.768 1.00 0.00 H new ATOM 0 HD21 LEU B 159 91.365 -9.450 8.048 1.00 0.00 H new ATOM 0 HD22 LEU B 159 92.276 -10.773 8.814 1.00 0.00 H new ATOM 0 HD23 LEU B 159 90.595 -11.036 8.293 1.00 0.00 H new ATOM 1453 N LYS B 160 89.915 -9.257 12.942 1.00 0.00 N ATOM 1454 CA LYS B 160 89.628 -8.022 13.729 1.00 0.00 C ATOM 1455 C LYS B 160 90.408 -6.837 13.155 1.00 0.00 C ATOM 1456 O LYS B 160 91.616 -6.768 13.260 1.00 0.00 O ATOM 1457 CB LYS B 160 90.100 -8.339 15.148 1.00 0.00 C ATOM 1458 CG LYS B 160 89.194 -9.411 15.758 1.00 0.00 C ATOM 1459 CD LYS B 160 88.767 -8.979 17.163 1.00 0.00 C ATOM 1460 CE LYS B 160 87.693 -9.936 17.684 1.00 0.00 C ATOM 1461 NZ LYS B 160 88.204 -10.400 19.004 1.00 0.00 N1+ ATOM 0 H LYS B 160 90.895 -9.540 12.920 1.00 0.00 H new ATOM 0 HA LYS B 160 88.573 -7.750 13.702 1.00 0.00 H new ATOM 0 HB2 LYS B 160 91.133 -8.687 15.130 1.00 0.00 H new ATOM 0 HB3 LYS B 160 90.078 -7.437 15.760 1.00 0.00 H new ATOM 0 HG2 LYS B 160 88.316 -9.561 15.130 1.00 0.00 H new ATOM 0 HG3 LYS B 160 89.720 -10.364 15.803 1.00 0.00 H new ATOM 0 HD2 LYS B 160 89.627 -8.980 17.833 1.00 0.00 H new ATOM 0 HD3 LYS B 160 88.382 -7.960 17.141 1.00 0.00 H new ATOM 0 HE2 LYS B 160 86.731 -9.433 17.787 1.00 0.00 H new ATOM 0 HE3 LYS B 160 87.544 -10.773 17.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 87.522 -11.062 19.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 89.117 -10.880 18.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 88.330 -9.582 19.634 1.00 0.00 H new ATOM 1475 N HIS B 161 89.728 -5.904 12.548 1.00 0.00 N ATOM 1476 CA HIS B 161 90.434 -4.726 11.970 1.00 0.00 C ATOM 1477 C HIS B 161 89.594 -3.461 12.156 1.00 0.00 C ATOM 1478 O HIS B 161 88.381 -3.507 12.186 1.00 0.00 O ATOM 1479 CB HIS B 161 90.593 -5.049 10.484 1.00 0.00 C ATOM 1480 CG HIS B 161 91.969 -4.650 10.026 1.00 0.00 C ATOM 1481 ND1 HIS B 161 93.102 -5.360 10.389 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.409 -3.620 9.232 1.00 0.00 C ATOM 1483 CE1 HIS B 161 94.160 -4.753 9.819 1.00 0.00 C ATOM 1484 NE2 HIS B 161 93.793 -3.687 9.102 1.00 0.00 N ATOM 0 H HIS B 161 88.715 -5.906 12.427 1.00 0.00 H new ATOM 0 HA HIS B 161 91.394 -4.543 12.453 1.00 0.00 H new ATOM 0 HB2 HIS B 161 90.437 -6.114 10.314 1.00 0.00 H new ATOM 0 HB3 HIS B 161 89.838 -4.520 9.903 1.00 0.00 H new ATOM 0 HD1 HIS B 161 93.130 -6.191 10.980 1.00 0.00 H new ATOM 0 HD2 HIS B 161 91.777 -2.871 8.777 1.00 0.00 H new ATOM 0 HE1 HIS B 161 95.181 -5.087 9.928 1.00 0.00 H new ATOM 1492 N GLU B 162 90.231 -2.330 12.279 1.00 0.00 N ATOM 1493 CA GLU B 162 89.471 -1.061 12.460 1.00 0.00 C ATOM 1494 C GLU B 162 89.726 -0.125 11.276 1.00 0.00 C ATOM 1495 O GLU B 162 90.788 0.451 11.145 1.00 0.00 O ATOM 1496 CB GLU B 162 90.012 -0.454 13.754 1.00 0.00 C ATOM 1497 CG GLU B 162 89.493 -1.261 14.945 1.00 0.00 C ATOM 1498 CD GLU B 162 90.149 -0.753 16.230 1.00 0.00 C ATOM 1499 OE1 GLU B 162 90.798 0.278 16.173 1.00 0.00 O1- ATOM 1500 OE2 GLU B 162 89.990 -1.403 17.250 1.00 0.00 O ATOM 0 H GLU B 162 91.246 -2.229 12.262 1.00 0.00 H new ATOM 0 HA GLU B 162 88.395 -1.225 12.510 1.00 0.00 H new ATOM 0 HB2 GLU B 162 91.102 -0.459 13.744 1.00 0.00 H new ATOM 0 HB3 GLU B 162 89.699 0.586 13.840 1.00 0.00 H new ATOM 0 HG2 GLU B 162 88.409 -1.168 15.016 1.00 0.00 H new ATOM 0 HG3 GLU B 162 89.714 -2.319 14.805 1.00 0.00 H new ATOM 1507 N ALA B 163 88.760 0.029 10.413 1.00 0.00 N ATOM 1508 CA ALA B 163 88.948 0.924 9.237 1.00 0.00 C ATOM 1509 C ALA B 163 88.134 2.207 9.412 1.00 0.00 C ATOM 1510 O ALA B 163 87.158 2.243 10.135 1.00 0.00 O ATOM 1511 CB ALA B 163 88.435 0.122 8.043 1.00 0.00 C ATOM 0 H ALA B 163 87.849 -0.426 10.471 1.00 0.00 H new ATOM 0 HA ALA B 163 89.988 1.224 9.109 1.00 0.00 H new ATOM 0 HB1 ALA B 163 88.540 0.715 7.134 1.00 0.00 H new ATOM 0 HB2 ALA B 163 89.014 -0.796 7.946 1.00 0.00 H new ATOM 0 HB3 ALA B 163 87.385 -0.126 8.195 1.00 0.00 H new ATOM 1517 N ARG B 164 88.530 3.260 8.754 1.00 0.00 N ATOM 1518 CA ARG B 164 87.783 4.543 8.879 1.00 0.00 C ATOM 1519 C ARG B 164 87.029 4.842 7.580 1.00 0.00 C ATOM 1520 O ARG B 164 87.409 4.384 6.521 1.00 0.00 O ATOM 1521 CB ARG B 164 88.857 5.600 9.134 1.00 0.00 C ATOM 1522 CG ARG B 164 89.546 5.313 10.469 1.00 0.00 C ATOM 1523 CD ARG B 164 88.603 5.672 11.619 1.00 0.00 C ATOM 1524 NE ARG B 164 88.805 7.133 11.833 1.00 0.00 N ATOM 1525 CZ ARG B 164 88.141 7.753 12.769 1.00 0.00 C ATOM 1526 NH1 ARG B 164 88.293 7.403 14.018 1.00 0.00 N ATOM 1527 NH2 ARG B 164 87.328 8.725 12.459 1.00 0.00 N1+ ATOM 0 H ARG B 164 89.340 3.288 8.134 1.00 0.00 H new ATOM 0 HA ARG B 164 87.041 4.516 9.677 1.00 0.00 H new ATOM 0 HB2 ARG B 164 89.588 5.593 8.326 1.00 0.00 H new ATOM 0 HB3 ARG B 164 88.409 6.593 9.150 1.00 0.00 H new ATOM 0 HG2 ARG B 164 89.824 4.261 10.528 1.00 0.00 H new ATOM 0 HG3 ARG B 164 90.467 5.891 10.546 1.00 0.00 H new ATOM 0 HD2 ARG B 164 87.567 5.449 11.366 1.00 0.00 H new ATOM 0 HD3 ARG B 164 88.841 5.104 12.518 1.00 0.00 H new ATOM 0 HE ARG B 164 89.462 7.648 11.248 1.00 0.00 H new ATOM 0 HH11 ARG B 164 88.931 6.645 14.261 1.00 0.00 H new ATOM 0 HH12 ARG B 164 87.774 7.888 14.750 1.00 0.00 H new ATOM 0 HH21 ARG B 164 87.211 9.001 11.484 1.00 0.00 H new ATOM 0 HH22 ARG B 164 86.809 9.209 13.192 1.00 0.00 H new ATOM 1541 N PRO B 165 85.977 5.603 7.710 1.00 0.00 N ATOM 1542 CA PRO B 165 85.151 5.972 6.534 1.00 0.00 C ATOM 1543 C PRO B 165 85.894 6.981 5.655 1.00 0.00 C ATOM 1544 O PRO B 165 86.770 7.688 6.110 1.00 0.00 O ATOM 1545 CB PRO B 165 83.907 6.601 7.155 1.00 0.00 C ATOM 1546 CG PRO B 165 84.354 7.098 8.495 1.00 0.00 C ATOM 1547 CD PRO B 165 85.463 6.187 8.954 1.00 0.00 C ATOM 0 HA PRO B 165 84.917 5.124 5.890 1.00 0.00 H new ATOM 0 HB2 PRO B 165 83.526 7.415 6.538 1.00 0.00 H new ATOM 0 HB3 PRO B 165 83.102 5.872 7.252 1.00 0.00 H new ATOM 0 HG2 PRO B 165 84.704 8.128 8.427 1.00 0.00 H new ATOM 0 HG3 PRO B 165 83.528 7.088 9.206 1.00 0.00 H new ATOM 0 HD2 PRO B 165 86.238 6.738 9.487 1.00 0.00 H new ATOM 0 HD3 PRO B 165 85.094 5.419 9.633 1.00 0.00 H new ATOM 1555 N LEU B 166 85.551 7.054 4.398 1.00 0.00 N ATOM 1556 CA LEU B 166 86.239 8.020 3.493 1.00 0.00 C ATOM 1557 C LEU B 166 85.469 9.343 3.446 1.00 0.00 C ATOM 1558 O LEU B 166 85.612 10.123 2.527 1.00 0.00 O ATOM 1559 CB LEU B 166 86.235 7.349 2.119 1.00 0.00 C ATOM 1560 CG LEU B 166 87.180 6.145 2.134 1.00 0.00 C ATOM 1561 CD1 LEU B 166 86.910 5.270 0.908 1.00 0.00 C ATOM 1562 CD2 LEU B 166 88.629 6.634 2.103 1.00 0.00 C ATOM 0 H LEU B 166 84.825 6.488 3.958 1.00 0.00 H new ATOM 0 HA LEU B 166 87.249 8.253 3.830 1.00 0.00 H new ATOM 0 HB2 LEU B 166 85.225 7.029 1.862 1.00 0.00 H new ATOM 0 HB3 LEU B 166 86.548 8.060 1.355 1.00 0.00 H new ATOM 0 HG LEU B 166 87.013 5.562 3.040 1.00 0.00 H new ATOM 0 HD11 LEU B 166 87.583 4.412 0.918 1.00 0.00 H new ATOM 0 HD12 LEU B 166 85.877 4.922 0.930 1.00 0.00 H new ATOM 0 HD13 LEU B 166 87.077 5.852 0.002 1.00 0.00 H new ATOM 0 HD21 LEU B 166 89.303 5.777 2.114 1.00 0.00 H new ATOM 0 HD22 LEU B 166 88.797 7.216 1.197 1.00 0.00 H new ATOM 0 HD23 LEU B 166 88.821 7.258 2.976 1.00 0.00 H new