USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 105 GLN : amide:sc= -0.208 K(o=-0.21,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= -0.0433 (180deg=-0.268) USER MOD Single : A 76 LYS NZ :NH3+ -135:sc= 1.2 (180deg=1.03) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= 1.2 (180deg=-0.214) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 86:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ -136:sc= 1.79 (180deg=1.13) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 94 GLN : amide:sc= -0.627 K(o=-0.63,f=-1.5!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= -0.63! (180deg=-0.846!) USER MOD Single : A 99 LYS NZ :NH3+ -149:sc= 0.469 (180deg=-1.8!) USER MOD Single : A 101 TYR OH : rot 14:sc= 1.08 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 60:sc= 0.807 USER MOD Single : A 111 LYS NZ :NH3+ 149:sc= 0.866 (180deg=-2.07!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 164:sc= -0.0933 (180deg=-0.469) USER MOD Single : A 127 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A 128 TYR OH : rot -2:sc= 0.311 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.312 -5.254 -0.985 1.00 0.00 N ATOM 152 CA GLU A 71 7.993 -4.851 0.379 1.00 0.00 C ATOM 153 C GLU A 71 6.596 -5.338 0.787 1.00 0.00 C ATOM 154 O GLU A 71 5.960 -4.751 1.640 1.00 0.00 O ATOM 155 CB GLU A 71 8.065 -3.336 0.452 1.00 0.00 C ATOM 156 CG GLU A 71 9.393 -2.789 -0.032 1.00 0.00 C ATOM 157 CD GLU A 71 9.372 -1.304 -0.213 1.00 0.00 C ATOM 158 OE1 GLU A 71 8.528 -0.800 -0.996 1.00 0.00 O ATOM 159 OE2 GLU A 71 10.200 -0.597 0.386 1.00 0.00 O ATOM 0 HA GLU A 71 8.708 -5.299 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.261 -2.909 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.899 -3.018 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.173 -3.053 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.654 -3.263 -0.978 1.00 0.00 H new ATOM 166 N LYS A 72 6.186 -6.477 0.221 1.00 0.00 N ATOM 167 CA LYS A 72 4.876 -7.139 0.453 1.00 0.00 C ATOM 168 C LYS A 72 4.447 -7.241 1.940 1.00 0.00 C ATOM 169 O LYS A 72 3.261 -7.253 2.258 1.00 0.00 O ATOM 170 CB LYS A 72 4.855 -8.541 -0.237 1.00 0.00 C ATOM 171 CG LYS A 72 6.152 -9.397 -0.130 1.00 0.00 C ATOM 172 CD LYS A 72 6.541 -9.785 1.290 1.00 0.00 C ATOM 173 CE LYS A 72 7.813 -10.640 1.320 1.00 0.00 C ATOM 174 NZ LYS A 72 8.958 -9.995 0.609 1.00 0.00 N ATOM 0 H LYS A 72 6.771 -6.991 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 72 4.130 -6.487 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.033 -9.116 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.630 -8.396 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.021 -10.306 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.976 -8.842 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.695 -8.884 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.722 -10.336 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.094 -10.829 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.606 -11.608 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.833 -10.518 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.781 -10.006 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.058 -9.012 0.932 1.00 0.00 H new ATOM 188 N ALA A 73 5.415 -7.272 2.822 1.00 0.00 N ATOM 189 CA ALA A 73 5.162 -7.431 4.233 1.00 0.00 C ATOM 190 C ALA A 73 4.991 -6.076 4.911 1.00 0.00 C ATOM 191 O ALA A 73 4.267 -5.950 5.899 1.00 0.00 O ATOM 192 CB ALA A 73 6.298 -8.219 4.857 1.00 0.00 C ATOM 0 H ALA A 73 6.403 -7.188 2.582 1.00 0.00 H new ATOM 0 HA ALA A 73 4.231 -7.980 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.112 -8.342 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.364 -9.199 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.236 -7.683 4.712 1.00 0.00 H new ATOM 198 N ALA A 74 5.634 -5.066 4.346 1.00 0.00 N ATOM 199 CA ALA A 74 5.586 -3.714 4.870 1.00 0.00 C ATOM 200 C ALA A 74 4.357 -3.002 4.338 1.00 0.00 C ATOM 201 O ALA A 74 3.790 -2.135 5.010 1.00 0.00 O ATOM 202 CB ALA A 74 6.851 -2.953 4.498 1.00 0.00 C ATOM 0 H ALA A 74 6.206 -5.164 3.507 1.00 0.00 H new ATOM 0 HA ALA A 74 5.525 -3.757 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.798 -1.941 4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.719 -3.464 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.943 -2.909 3.413 1.00 0.00 H new ATOM 208 N VAL A 75 3.941 -3.391 3.127 1.00 0.00 N ATOM 209 CA VAL A 75 2.736 -2.853 2.496 1.00 0.00 C ATOM 210 C VAL A 75 1.540 -3.049 3.415 1.00 0.00 C ATOM 211 O VAL A 75 0.816 -2.106 3.719 1.00 0.00 O ATOM 212 CB VAL A 75 2.437 -3.530 1.124 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.171 -2.962 0.506 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.603 -3.368 0.160 1.00 0.00 C ATOM 0 H VAL A 75 4.430 -4.085 2.561 1.00 0.00 H new ATOM 0 HA VAL A 75 2.912 -1.792 2.319 1.00 0.00 H new ATOM 0 HB VAL A 75 2.292 -4.594 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.983 -3.449 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.329 -3.138 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.292 -1.890 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.362 -3.851 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.789 -2.308 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.494 -3.829 0.586 1.00 0.00 H new ATOM 224 N LYS A 76 1.394 -4.269 3.921 1.00 0.00 N ATOM 225 CA LYS A 76 0.283 -4.610 4.796 1.00 0.00 C ATOM 226 C LYS A 76 0.341 -3.854 6.118 1.00 0.00 C ATOM 227 O LYS A 76 -0.664 -3.709 6.785 1.00 0.00 O ATOM 228 CB LYS A 76 0.229 -6.106 5.074 1.00 0.00 C ATOM 229 CG LYS A 76 0.020 -6.972 3.849 1.00 0.00 C ATOM 230 CD LYS A 76 -0.130 -8.428 4.270 1.00 0.00 C ATOM 231 CE LYS A 76 -0.184 -9.390 3.085 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.294 -9.093 2.157 1.00 0.00 N ATOM 0 H LYS A 76 2.036 -5.040 3.738 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.622 -4.312 4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.158 -6.405 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.577 -6.301 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.869 -6.646 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.864 -6.865 3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.705 -8.702 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.039 -8.538 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.760 -9.344 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.289 -10.410 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.778 -9.977 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.969 -8.450 2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.918 -8.642 1.299 1.00 0.00 H new ATOM 246 N LYS A 77 1.512 -3.364 6.484 1.00 0.00 N ATOM 247 CA LYS A 77 1.659 -2.647 7.738 1.00 0.00 C ATOM 248 C LYS A 77 1.095 -1.259 7.600 1.00 0.00 C ATOM 249 O LYS A 77 0.333 -0.802 8.455 1.00 0.00 O ATOM 250 CB LYS A 77 3.120 -2.581 8.192 1.00 0.00 C ATOM 251 CG LYS A 77 3.794 -3.934 8.319 1.00 0.00 C ATOM 252 CD LYS A 77 3.055 -4.853 9.279 1.00 0.00 C ATOM 253 CE LYS A 77 3.710 -6.221 9.342 1.00 0.00 C ATOM 254 NZ LYS A 77 2.968 -7.145 10.240 1.00 0.00 N ATOM 0 H LYS A 77 2.368 -3.448 5.936 1.00 0.00 H new ATOM 0 HA LYS A 77 1.105 -3.194 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.682 -1.973 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.167 -2.073 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.849 -4.405 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.819 -3.797 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.040 -4.408 10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.018 -4.958 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.758 -6.648 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.736 -6.117 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.445 -8.069 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.943 -6.749 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.996 -7.264 9.890 1.00 0.00 H new ATOM 268 N MET A 78 1.417 -0.600 6.496 1.00 0.00 N ATOM 269 CA MET A 78 0.914 0.733 6.286 1.00 0.00 C ATOM 270 C MET A 78 -0.546 0.686 5.906 1.00 0.00 C ATOM 271 O MET A 78 -1.318 1.589 6.237 1.00 0.00 O ATOM 272 CB MET A 78 1.746 1.495 5.269 1.00 0.00 C ATOM 273 CG MET A 78 3.117 1.904 5.788 1.00 0.00 C ATOM 274 SD MET A 78 3.035 3.092 7.162 1.00 0.00 S ATOM 275 CE MET A 78 4.782 3.269 7.540 1.00 0.00 C ATOM 0 H MET A 78 2.012 -0.964 5.751 1.00 0.00 H new ATOM 0 HA MET A 78 0.999 1.283 7.223 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.873 0.878 4.380 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.201 2.388 4.962 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.655 1.015 6.116 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.692 2.341 4.972 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.906 3.969 8.366 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.194 2.299 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.308 3.646 6.663 1.00 0.00 H new ATOM 285 N ALA A 79 -0.924 -0.392 5.245 1.00 0.00 N ATOM 286 CA ALA A 79 -2.299 -0.647 4.884 1.00 0.00 C ATOM 287 C ALA A 79 -3.149 -0.782 6.149 1.00 0.00 C ATOM 288 O ALA A 79 -4.217 -0.170 6.277 1.00 0.00 O ATOM 289 CB ALA A 79 -2.383 -1.924 4.054 1.00 0.00 C ATOM 0 H ALA A 79 -0.277 -1.120 4.942 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.679 0.186 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.422 -2.114 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.787 -1.809 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.001 -2.762 4.636 1.00 0.00 H new ATOM 295 N LYS A 80 -2.637 -1.548 7.096 1.00 0.00 N ATOM 296 CA LYS A 80 -3.308 -1.795 8.355 1.00 0.00 C ATOM 297 C LYS A 80 -3.409 -0.501 9.167 1.00 0.00 C ATOM 298 O LYS A 80 -4.399 -0.276 9.899 1.00 0.00 O ATOM 299 CB LYS A 80 -2.554 -2.908 9.151 1.00 0.00 C ATOM 300 CG LYS A 80 -3.257 -3.399 10.420 1.00 0.00 C ATOM 301 CD LYS A 80 -3.077 -2.446 11.599 1.00 0.00 C ATOM 302 CE LYS A 80 -4.296 -2.477 12.503 1.00 0.00 C ATOM 303 NZ LYS A 80 -5.522 -2.035 11.765 1.00 0.00 N ATOM 0 H LYS A 80 -1.736 -2.019 7.010 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.322 -2.144 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.397 -3.760 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.569 -2.531 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.321 -3.522 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.868 -4.381 10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.189 -2.725 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.915 -1.432 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.443 -3.486 12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.132 -1.829 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.244 -1.724 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.280 -1.246 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.894 -2.828 11.204 1.00 0.00 H new ATOM 317 N ALA A 81 -2.403 0.320 9.063 1.00 0.00 N ATOM 318 CA ALA A 81 -2.362 1.556 9.794 1.00 0.00 C ATOM 319 C ALA A 81 -3.388 2.552 9.269 1.00 0.00 C ATOM 320 O ALA A 81 -4.125 3.131 10.050 1.00 0.00 O ATOM 321 CB ALA A 81 -0.964 2.120 9.799 1.00 0.00 C ATOM 0 H ALA A 81 -1.590 0.153 8.471 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.636 1.352 10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.951 3.056 10.357 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.286 1.408 10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.642 2.304 8.774 1.00 0.00 H new ATOM 327 N ILE A 82 -3.488 2.687 7.948 1.00 0.00 N ATOM 328 CA ILE A 82 -4.469 3.607 7.335 1.00 0.00 C ATOM 329 C ILE A 82 -5.894 3.083 7.542 1.00 0.00 C ATOM 330 O ILE A 82 -6.882 3.831 7.513 1.00 0.00 O ATOM 331 CB ILE A 82 -4.181 3.839 5.838 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.786 4.416 5.674 1.00 0.00 C ATOM 333 CG2 ILE A 82 -5.218 4.785 5.207 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.390 4.626 4.242 1.00 0.00 C ATOM 0 H ILE A 82 -2.910 2.179 7.278 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.375 4.572 7.834 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.247 2.880 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.731 5.368 6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.067 3.747 6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.986 4.927 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.213 4.351 5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.190 5.748 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.383 5.040 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.413 3.672 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.087 5.318 3.770 1.00 0.00 H new ATOM 346 N MET A 83 -5.983 1.788 7.753 1.00 0.00 N ATOM 347 CA MET A 83 -7.225 1.129 8.115 1.00 0.00 C ATOM 348 C MET A 83 -7.758 1.692 9.455 1.00 0.00 C ATOM 349 O MET A 83 -8.949 1.613 9.747 1.00 0.00 O ATOM 350 CB MET A 83 -6.983 -0.375 8.234 1.00 0.00 C ATOM 351 CG MET A 83 -8.114 -1.148 8.858 1.00 0.00 C ATOM 352 SD MET A 83 -7.586 -2.753 9.503 1.00 0.00 S ATOM 353 CE MET A 83 -9.170 -3.431 10.004 1.00 0.00 C ATOM 0 H MET A 83 -5.188 1.153 7.678 1.00 0.00 H new ATOM 0 HA MET A 83 -7.971 1.315 7.342 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.791 -0.778 7.240 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.081 -0.538 8.824 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.548 -0.560 9.667 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.899 -1.299 8.117 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.023 -4.425 10.426 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.623 -2.782 10.753 1.00 0.00 H new ATOM 0 HE3 MET A 83 -9.827 -3.499 9.137 1.00 0.00 H new ATOM 363 N ALA A 84 -6.865 2.223 10.259 1.00 0.00 N ATOM 364 CA ALA A 84 -7.232 2.846 11.505 1.00 0.00 C ATOM 365 C ALA A 84 -7.186 4.370 11.364 1.00 0.00 C ATOM 366 O ALA A 84 -8.196 5.066 11.569 1.00 0.00 O ATOM 367 CB ALA A 84 -6.308 2.378 12.624 1.00 0.00 C ATOM 0 H ALA A 84 -5.864 2.234 10.065 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.251 2.553 11.760 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.598 2.857 13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.386 1.296 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.279 2.646 12.382 1.00 0.00 H new ATOM 373 N ASP A 85 -6.043 4.862 10.933 1.00 0.00 N ATOM 374 CA ASP A 85 -5.777 6.298 10.837 1.00 0.00 C ATOM 375 C ASP A 85 -5.772 6.794 9.397 1.00 0.00 C ATOM 376 O ASP A 85 -5.091 6.241 8.547 1.00 0.00 O ATOM 377 CB ASP A 85 -4.434 6.657 11.486 1.00 0.00 C ATOM 378 CG ASP A 85 -4.053 8.097 11.191 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.713 9.007 11.718 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.129 8.331 10.370 1.00 0.00 O ATOM 0 H ASP A 85 -5.261 4.279 10.635 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.590 6.790 11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.496 6.507 12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.657 5.989 11.115 1.00 0.00 H new ATOM 385 N PRO A 86 -6.554 7.836 9.091 1.00 0.00 N ATOM 386 CA PRO A 86 -6.561 8.441 7.778 1.00 0.00 C ATOM 387 C PRO A 86 -5.647 9.687 7.684 1.00 0.00 C ATOM 388 O PRO A 86 -5.552 10.304 6.625 1.00 0.00 O ATOM 389 CB PRO A 86 -8.025 8.854 7.636 1.00 0.00 C ATOM 390 CG PRO A 86 -8.455 9.228 9.030 1.00 0.00 C ATOM 391 CD PRO A 86 -7.532 8.497 9.990 1.00 0.00 C ATOM 0 HA PRO A 86 -6.189 7.768 7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.135 9.693 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.630 8.038 7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.390 10.306 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.493 8.945 9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.043 9.185 10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.075 7.772 10.596 1.00 0.00 H new ATOM 399 N SER A 87 -4.969 10.025 8.767 1.00 0.00 N ATOM 400 CA SER A 87 -4.173 11.234 8.825 1.00 0.00 C ATOM 401 C SER A 87 -2.830 11.036 8.123 1.00 0.00 C ATOM 402 O SER A 87 -2.440 11.833 7.268 1.00 0.00 O ATOM 403 CB SER A 87 -3.955 11.632 10.280 1.00 0.00 C ATOM 404 OG SER A 87 -5.169 11.522 11.011 1.00 0.00 O ATOM 0 H SER A 87 -4.956 9.472 9.624 1.00 0.00 H new ATOM 0 HA SER A 87 -4.708 12.031 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.194 10.993 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.583 12.655 10.332 1.00 0.00 H new ATOM 0 HG SER A 87 -5.278 10.601 11.327 1.00 0.00 H new ATOM 410 N LYS A 88 -2.134 9.954 8.447 1.00 0.00 N ATOM 411 CA LYS A 88 -0.842 9.708 7.836 1.00 0.00 C ATOM 412 C LYS A 88 -0.950 9.092 6.454 1.00 0.00 C ATOM 413 O LYS A 88 0.058 8.887 5.788 1.00 0.00 O ATOM 414 CB LYS A 88 0.208 9.006 8.766 1.00 0.00 C ATOM 415 CG LYS A 88 -0.130 7.630 9.399 1.00 0.00 C ATOM 416 CD LYS A 88 -0.307 6.481 8.392 1.00 0.00 C ATOM 417 CE LYS A 88 0.836 6.388 7.372 1.00 0.00 C ATOM 418 NZ LYS A 88 2.196 6.258 7.947 1.00 0.00 N ATOM 0 H LYS A 88 -2.438 9.247 9.117 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.417 10.701 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.125 8.884 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.434 9.694 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.663 7.363 10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.047 7.729 9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.378 5.539 8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.249 6.614 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.652 5.532 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.810 7.277 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.849 6.888 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.174 6.520 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.520 5.274 7.853 1.00 0.00 H new ATOM 432 N ALA A 89 -2.180 8.770 6.063 1.00 0.00 N ATOM 433 CA ALA A 89 -2.515 8.115 4.788 1.00 0.00 C ATOM 434 C ALA A 89 -1.715 8.642 3.585 1.00 0.00 C ATOM 435 O ALA A 89 -1.211 7.841 2.783 1.00 0.00 O ATOM 436 CB ALA A 89 -4.003 8.239 4.515 1.00 0.00 C ATOM 0 H ALA A 89 -3.001 8.961 6.638 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.235 7.068 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.241 7.752 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.562 7.762 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.276 9.293 4.459 1.00 0.00 H new ATOM 442 N ASP A 90 -1.572 9.963 3.496 1.00 0.00 N ATOM 443 CA ASP A 90 -0.849 10.625 2.382 1.00 0.00 C ATOM 444 C ASP A 90 0.569 10.078 2.220 1.00 0.00 C ATOM 445 O ASP A 90 0.962 9.681 1.129 1.00 0.00 O ATOM 446 CB ASP A 90 -0.802 12.136 2.586 1.00 0.00 C ATOM 447 CG ASP A 90 -0.035 12.836 1.482 1.00 0.00 C ATOM 448 OD1 ASP A 90 -0.608 13.025 0.395 1.00 0.00 O ATOM 449 OD2 ASP A 90 1.143 13.178 1.706 1.00 0.00 O ATOM 0 H ASP A 90 -1.948 10.614 4.186 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.402 10.406 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.818 12.528 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.337 12.358 3.547 1.00 0.00 H new ATOM 454 N ASP A 91 1.282 9.960 3.342 1.00 0.00 N ATOM 455 CA ASP A 91 2.674 9.428 3.398 1.00 0.00 C ATOM 456 C ASP A 91 2.797 8.071 2.715 1.00 0.00 C ATOM 457 O ASP A 91 3.822 7.752 2.080 1.00 0.00 O ATOM 458 CB ASP A 91 3.165 9.344 4.879 1.00 0.00 C ATOM 459 CG ASP A 91 4.078 8.137 5.190 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.254 8.123 4.766 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.595 7.155 5.845 1.00 0.00 O ATOM 0 H ASP A 91 0.918 10.230 4.256 1.00 0.00 H new ATOM 0 HA ASP A 91 3.311 10.123 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.703 10.261 5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.295 9.302 5.534 1.00 0.00 H new ATOM 466 N VAL A 92 1.767 7.291 2.818 1.00 0.00 N ATOM 467 CA VAL A 92 1.759 5.991 2.221 1.00 0.00 C ATOM 468 C VAL A 92 1.380 6.109 0.771 1.00 0.00 C ATOM 469 O VAL A 92 2.038 5.551 -0.076 1.00 0.00 O ATOM 470 CB VAL A 92 0.786 5.054 2.940 1.00 0.00 C ATOM 471 CG1 VAL A 92 0.763 3.673 2.311 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.160 4.954 4.387 1.00 0.00 C ATOM 0 H VAL A 92 0.911 7.535 3.316 1.00 0.00 H new ATOM 0 HA VAL A 92 2.759 5.566 2.309 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.216 5.473 2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.060 3.039 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.453 3.753 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.759 3.234 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.466 4.286 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.173 4.560 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.114 5.943 4.844 1.00 0.00 H new ATOM 482 N TYR A 93 0.369 6.902 0.495 1.00 0.00 N ATOM 483 CA TYR A 93 -0.130 7.056 -0.862 1.00 0.00 C ATOM 484 C TYR A 93 0.947 7.601 -1.770 1.00 0.00 C ATOM 485 O TYR A 93 1.188 7.061 -2.833 1.00 0.00 O ATOM 486 CB TYR A 93 -1.344 7.985 -0.928 1.00 0.00 C ATOM 487 CG TYR A 93 -2.585 7.533 -0.193 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.726 6.240 0.283 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.628 8.417 0.008 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.866 5.844 0.939 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.771 8.031 0.661 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.885 6.740 1.126 1.00 0.00 C ATOM 493 OH TYR A 93 -6.024 6.344 1.783 1.00 0.00 O ATOM 0 H TYR A 93 -0.129 7.455 1.193 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.433 6.063 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.050 8.958 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.604 8.132 -1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.925 5.530 0.136 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.542 9.430 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.958 4.832 1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.576 8.735 0.809 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.650 7.096 1.835 1.00 0.00 H new ATOM 503 N GLN A 94 1.622 8.631 -1.304 1.00 0.00 N ATOM 504 CA GLN A 94 2.650 9.309 -2.070 1.00 0.00 C ATOM 505 C GLN A 94 3.858 8.400 -2.275 1.00 0.00 C ATOM 506 O GLN A 94 4.457 8.387 -3.331 1.00 0.00 O ATOM 507 CB GLN A 94 3.036 10.645 -1.372 1.00 0.00 C ATOM 508 CG GLN A 94 3.869 10.497 -0.115 1.00 0.00 C ATOM 509 CD GLN A 94 5.360 10.512 -0.363 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.849 11.143 -1.280 1.00 0.00 O ATOM 511 NE2 GLN A 94 6.079 9.810 0.460 1.00 0.00 N ATOM 0 H GLN A 94 1.472 9.025 -0.375 1.00 0.00 H new ATOM 0 HA GLN A 94 2.261 9.549 -3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.585 11.262 -2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.122 11.183 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.617 11.304 0.573 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.602 9.562 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.630 9.294 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.092 9.774 0.349 1.00 0.00 H new ATOM 520 N LYS A 95 4.145 7.583 -1.283 1.00 0.00 N ATOM 521 CA LYS A 95 5.318 6.749 -1.326 1.00 0.00 C ATOM 522 C LYS A 95 5.054 5.514 -2.145 1.00 0.00 C ATOM 523 O LYS A 95 5.862 5.078 -2.918 1.00 0.00 O ATOM 524 CB LYS A 95 5.737 6.360 0.053 1.00 0.00 C ATOM 525 CG LYS A 95 7.038 5.612 0.097 1.00 0.00 C ATOM 526 CD LYS A 95 7.227 4.873 1.395 1.00 0.00 C ATOM 527 CE LYS A 95 7.303 5.788 2.650 1.00 0.00 C ATOM 528 NZ LYS A 95 5.973 6.323 3.088 1.00 0.00 N ATOM 0 H LYS A 95 3.580 7.482 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 95 6.123 7.318 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.823 7.258 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.957 5.743 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.076 4.904 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.862 6.312 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.404 4.170 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.142 4.284 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.747 5.226 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.969 6.624 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.084 6.839 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.602 6.968 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.309 5.534 3.223 1.00 0.00 H new ATOM 542 N TRP A 96 3.890 4.970 -1.991 1.00 0.00 N ATOM 543 CA TRP A 96 3.479 3.832 -2.770 1.00 0.00 C ATOM 544 C TRP A 96 3.331 4.232 -4.211 1.00 0.00 C ATOM 545 O TRP A 96 3.389 3.413 -5.129 1.00 0.00 O ATOM 546 CB TRP A 96 2.264 3.159 -2.169 1.00 0.00 C ATOM 547 CG TRP A 96 2.654 2.083 -1.178 1.00 0.00 C ATOM 548 CD1 TRP A 96 2.495 0.771 -1.367 1.00 0.00 C ATOM 549 CD2 TRP A 96 3.325 2.214 0.104 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.946 0.060 -0.277 1.00 0.00 N ATOM 551 CE2 TRP A 96 3.470 0.919 0.625 1.00 0.00 C ATOM 552 CE3 TRP A 96 3.789 3.280 0.861 1.00 0.00 C ATOM 553 CZ2 TRP A 96 4.067 0.668 1.858 1.00 0.00 C ATOM 554 CZ3 TRP A 96 4.382 3.031 2.082 1.00 0.00 C ATOM 555 CH2 TRP A 96 4.516 1.734 2.566 1.00 0.00 C ATOM 0 H TRP A 96 3.192 5.297 -1.323 1.00 0.00 H new ATOM 0 HA TRP A 96 4.252 3.064 -2.744 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.644 3.905 -1.672 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.660 2.721 -2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 96 2.070 0.327 -2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.893 -0.953 -0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.687 4.292 0.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 4.169 -0.338 2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.749 3.858 2.672 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.987 1.573 3.524 1.00 0.00 H new ATOM 566 N ALA A 97 3.158 5.508 -4.390 1.00 0.00 N ATOM 567 CA ALA A 97 3.121 6.098 -5.689 1.00 0.00 C ATOM 568 C ALA A 97 4.533 6.191 -6.249 1.00 0.00 C ATOM 569 O ALA A 97 4.753 5.819 -7.417 1.00 0.00 O ATOM 570 CB ALA A 97 2.479 7.470 -5.662 1.00 0.00 C ATOM 0 H ALA A 97 3.037 6.174 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 97 2.512 5.463 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.469 7.887 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.456 7.386 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.049 8.125 -5.004 1.00 0.00 H new ATOM 576 N ASP A 98 5.501 6.635 -5.410 1.00 0.00 N ATOM 577 CA ASP A 98 6.902 6.819 -5.889 1.00 0.00 C ATOM 578 C ASP A 98 7.587 5.479 -6.099 1.00 0.00 C ATOM 579 O ASP A 98 8.303 5.282 -7.079 1.00 0.00 O ATOM 580 CB ASP A 98 7.783 7.745 -4.970 1.00 0.00 C ATOM 581 CG ASP A 98 8.364 7.085 -3.698 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.382 6.366 -3.798 1.00 0.00 O ATOM 583 OD2 ASP A 98 7.818 7.295 -2.604 1.00 0.00 O ATOM 0 H ASP A 98 5.350 6.867 -4.428 1.00 0.00 H new ATOM 0 HA ASP A 98 6.813 7.338 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.611 8.131 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.181 8.602 -4.668 1.00 0.00 H new ATOM 588 N LYS A 99 7.285 4.532 -5.224 1.00 0.00 N ATOM 589 CA LYS A 99 7.885 3.200 -5.252 1.00 0.00 C ATOM 590 C LYS A 99 7.324 2.331 -6.389 1.00 0.00 C ATOM 591 O LYS A 99 7.655 1.154 -6.500 1.00 0.00 O ATOM 592 CB LYS A 99 7.688 2.503 -3.900 1.00 0.00 C ATOM 593 CG LYS A 99 8.247 3.269 -2.706 1.00 0.00 C ATOM 594 CD LYS A 99 9.769 3.365 -2.709 1.00 0.00 C ATOM 595 CE LYS A 99 10.414 2.026 -2.414 1.00 0.00 C ATOM 596 NZ LYS A 99 9.949 1.500 -1.118 1.00 0.00 N ATOM 0 H LYS A 99 6.613 4.664 -4.468 1.00 0.00 H new ATOM 0 HA LYS A 99 8.951 3.328 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.622 2.338 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.160 1.521 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.827 4.275 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.923 2.782 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.109 3.727 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.089 4.095 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.174 1.318 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.499 2.134 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.703 0.931 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.707 2.292 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.108 0.906 -1.266 1.00 0.00 H new ATOM 610 N GLY A 100 6.448 2.903 -7.198 1.00 0.00 N ATOM 611 CA GLY A 100 5.958 2.220 -8.376 1.00 0.00 C ATOM 612 C GLY A 100 4.771 1.307 -8.140 1.00 0.00 C ATOM 613 O GLY A 100 4.257 0.702 -9.094 1.00 0.00 O ATOM 0 H GLY A 100 6.064 3.838 -7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.681 2.966 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.771 1.631 -8.801 1.00 0.00 H new ATOM 617 N TYR A 101 4.303 1.206 -6.904 1.00 0.00 N ATOM 618 CA TYR A 101 3.173 0.329 -6.630 1.00 0.00 C ATOM 619 C TYR A 101 1.918 0.854 -7.303 1.00 0.00 C ATOM 620 O TYR A 101 1.405 1.927 -6.986 1.00 0.00 O ATOM 621 CB TYR A 101 2.949 0.117 -5.125 1.00 0.00 C ATOM 622 CG TYR A 101 4.080 -0.623 -4.440 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.148 0.062 -3.901 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.078 -2.007 -4.346 1.00 0.00 C ATOM 625 CE1 TYR A 101 6.190 -0.601 -3.286 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.118 -2.684 -3.728 1.00 0.00 C ATOM 627 CZ TYR A 101 6.174 -1.972 -3.203 1.00 0.00 C ATOM 628 OH TYR A 101 7.216 -2.633 -2.585 1.00 0.00 O ATOM 0 H TYR A 101 4.675 1.705 -6.096 1.00 0.00 H new ATOM 0 HA TYR A 101 3.410 -0.648 -7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.818 1.087 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.022 -0.438 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.170 1.140 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.253 -2.566 -4.761 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.016 -0.043 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.100 -3.762 -3.659 1.00 0.00 H new ATOM 0 HH TYR A 101 7.753 -1.992 -2.074 1.00 0.00 H new ATOM 638 N THR A 102 1.455 0.111 -8.255 1.00 0.00 N ATOM 639 CA THR A 102 0.296 0.464 -8.996 1.00 0.00 C ATOM 640 C THR A 102 -0.901 -0.241 -8.377 1.00 0.00 C ATOM 641 O THR A 102 -0.788 -1.399 -8.009 1.00 0.00 O ATOM 642 CB THR A 102 0.484 0.042 -10.463 1.00 0.00 C ATOM 643 OG1 THR A 102 1.732 0.567 -10.935 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.640 0.586 -11.340 1.00 0.00 C ATOM 0 H THR A 102 1.880 -0.771 -8.541 1.00 0.00 H new ATOM 0 HA THR A 102 0.131 1.541 -8.969 1.00 0.00 H new ATOM 0 HB THR A 102 0.471 -1.047 -10.517 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.865 0.304 -11.869 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.481 0.272 -12.372 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.596 0.200 -10.987 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.647 1.675 -11.289 1.00 0.00 H new ATOM 652 N LEU A 103 -2.028 0.471 -8.287 1.00 0.00 N ATOM 653 CA LEU A 103 -3.277 0.015 -7.634 1.00 0.00 C ATOM 654 C LEU A 103 -3.635 -1.455 -7.972 1.00 0.00 C ATOM 655 O LEU A 103 -3.983 -2.236 -7.077 1.00 0.00 O ATOM 656 CB LEU A 103 -4.425 1.011 -8.011 1.00 0.00 C ATOM 657 CG LEU A 103 -5.802 0.906 -7.287 1.00 0.00 C ATOM 658 CD1 LEU A 103 -6.625 -0.293 -7.746 1.00 0.00 C ATOM 659 CD2 LEU A 103 -5.612 0.881 -5.779 1.00 0.00 C ATOM 0 H LEU A 103 -2.108 1.411 -8.676 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.132 0.020 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.047 2.021 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.610 0.907 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.369 1.796 -7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.572 -0.312 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.818 -0.214 -8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.074 -1.211 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.584 0.807 -5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.002 0.021 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.114 1.797 -5.460 1.00 0.00 H new ATOM 671 N THR A 104 -3.515 -1.828 -9.238 1.00 0.00 N ATOM 672 CA THR A 104 -3.839 -3.182 -9.670 1.00 0.00 C ATOM 673 C THR A 104 -2.911 -4.237 -9.012 1.00 0.00 C ATOM 674 O THR A 104 -3.381 -5.249 -8.510 1.00 0.00 O ATOM 675 CB THR A 104 -3.857 -3.311 -11.237 1.00 0.00 C ATOM 676 OG1 THR A 104 -4.177 -4.642 -11.636 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.532 -2.887 -11.866 1.00 0.00 C ATOM 0 H THR A 104 -3.195 -1.212 -9.986 1.00 0.00 H new ATOM 0 HA THR A 104 -4.851 -3.391 -9.324 1.00 0.00 H new ATOM 0 HB THR A 104 -4.631 -2.633 -11.597 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.184 -4.698 -12.614 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.593 -2.993 -12.949 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.326 -1.847 -11.615 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.729 -3.518 -11.484 1.00 0.00 H new ATOM 685 N GLN A 105 -1.620 -3.937 -8.922 1.00 0.00 N ATOM 686 CA GLN A 105 -0.651 -4.878 -8.363 1.00 0.00 C ATOM 687 C GLN A 105 -0.681 -4.780 -6.853 1.00 0.00 C ATOM 688 O GLN A 105 -0.442 -5.745 -6.140 1.00 0.00 O ATOM 689 CB GLN A 105 0.765 -4.567 -8.870 1.00 0.00 C ATOM 690 CG GLN A 105 0.891 -4.475 -10.386 1.00 0.00 C ATOM 691 CD GLN A 105 0.358 -5.704 -11.105 1.00 0.00 C ATOM 692 OE1 GLN A 105 -0.813 -5.768 -11.453 1.00 0.00 O ATOM 693 NE2 GLN A 105 1.205 -6.672 -11.332 1.00 0.00 N ATOM 0 H GLN A 105 -1.219 -3.051 -9.228 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.916 -5.887 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.094 -3.624 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.444 -5.339 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.353 -3.594 -10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.939 -4.333 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.174 -6.583 -11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.897 -7.516 -11.814 1.00 0.00 H new ATOM 702 N LEU A 106 -1.015 -3.595 -6.383 1.00 0.00 N ATOM 703 CA LEU A 106 -1.109 -3.295 -4.971 1.00 0.00 C ATOM 704 C LEU A 106 -2.218 -4.119 -4.334 1.00 0.00 C ATOM 705 O LEU A 106 -2.160 -4.464 -3.153 1.00 0.00 O ATOM 706 CB LEU A 106 -1.362 -1.800 -4.792 1.00 0.00 C ATOM 707 CG LEU A 106 -1.368 -1.260 -3.371 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.082 -1.617 -2.649 1.00 0.00 C ATOM 709 CD2 LEU A 106 -1.546 0.235 -3.409 1.00 0.00 C ATOM 0 H LEU A 106 -1.232 -2.800 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.174 -3.554 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.602 -1.259 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.324 -1.564 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.195 -1.714 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.112 -1.219 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.025 -2.701 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.766 -1.188 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.551 0.627 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.725 0.685 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.491 0.477 -3.895 1.00 0.00 H new ATOM 721 N SER A 107 -3.186 -4.484 -5.149 1.00 0.00 N ATOM 722 CA SER A 107 -4.289 -5.294 -4.722 1.00 0.00 C ATOM 723 C SER A 107 -3.815 -6.659 -4.229 1.00 0.00 C ATOM 724 O SER A 107 -4.410 -7.224 -3.317 1.00 0.00 O ATOM 725 CB SER A 107 -5.260 -5.480 -5.867 1.00 0.00 C ATOM 726 OG SER A 107 -5.782 -4.230 -6.322 1.00 0.00 O ATOM 0 H SER A 107 -3.222 -4.220 -6.134 1.00 0.00 H new ATOM 0 HA SER A 107 -4.784 -4.784 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.759 -5.987 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.080 -6.123 -5.548 1.00 0.00 H new ATOM 0 HG SER A 107 -5.046 -3.659 -6.625 1.00 0.00 H new ATOM 732 N ASP A 108 -2.725 -7.163 -4.799 1.00 0.00 N ATOM 733 CA ASP A 108 -2.222 -8.473 -4.418 1.00 0.00 C ATOM 734 C ASP A 108 -1.411 -8.371 -3.137 1.00 0.00 C ATOM 735 O ASP A 108 -1.469 -9.255 -2.267 1.00 0.00 O ATOM 736 CB ASP A 108 -1.382 -9.108 -5.524 1.00 0.00 C ATOM 737 CG ASP A 108 -1.057 -10.544 -5.191 1.00 0.00 C ATOM 738 OD1 ASP A 108 -1.910 -11.430 -5.434 1.00 0.00 O ATOM 739 OD2 ASP A 108 0.006 -10.824 -4.594 1.00 0.00 O ATOM 0 H ASP A 108 -2.180 -6.688 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.084 -9.118 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.923 -9.062 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.460 -8.543 -5.657 1.00 0.00 H new ATOM 744 N PHE A 109 -0.700 -7.258 -2.987 1.00 0.00 N ATOM 745 CA PHE A 109 0.088 -7.013 -1.787 1.00 0.00 C ATOM 746 C PHE A 109 -0.816 -6.854 -0.577 1.00 0.00 C ATOM 747 O PHE A 109 -0.441 -7.190 0.545 1.00 0.00 O ATOM 748 CB PHE A 109 1.025 -5.816 -1.951 1.00 0.00 C ATOM 749 CG PHE A 109 2.048 -6.019 -3.029 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.921 -7.087 -2.972 1.00 0.00 C ATOM 751 CD2 PHE A 109 2.117 -5.167 -4.106 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.848 -7.294 -3.967 1.00 0.00 C ATOM 753 CE2 PHE A 109 3.033 -5.363 -5.108 1.00 0.00 C ATOM 754 CZ PHE A 109 3.907 -6.429 -5.041 1.00 0.00 C ATOM 0 H PHE A 109 -0.654 -6.513 -3.682 1.00 0.00 H new ATOM 0 HA PHE A 109 0.722 -7.884 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.435 -4.928 -2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.533 -5.627 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.876 -7.769 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.438 -4.329 -4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.528 -8.131 -3.908 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.070 -4.685 -5.948 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.633 -6.586 -5.825 1.00 0.00 H new ATOM 764 N LEU A 110 -2.009 -6.350 -0.800 1.00 0.00 N ATOM 765 CA LEU A 110 -3.023 -6.311 0.235 1.00 0.00 C ATOM 766 C LEU A 110 -3.703 -7.671 0.325 1.00 0.00 C ATOM 767 O LEU A 110 -3.910 -8.205 1.425 1.00 0.00 O ATOM 768 CB LEU A 110 -4.039 -5.190 0.000 1.00 0.00 C ATOM 769 CG LEU A 110 -3.658 -3.795 0.515 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.407 -3.263 -0.153 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.812 -2.838 0.319 1.00 0.00 C ATOM 0 H LEU A 110 -2.304 -5.958 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.540 -6.090 1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.224 -5.118 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.980 -5.480 0.468 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.440 -3.884 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.176 -2.274 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.574 -3.937 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.570 -3.195 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.533 -1.851 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.056 -2.774 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.681 -3.198 0.870 1.00 0.00 H new ATOM 783 N LYS A 111 -3.980 -8.233 -0.852 1.00 0.00 N ATOM 784 CA LYS A 111 -4.553 -9.575 -1.072 1.00 0.00 C ATOM 785 C LYS A 111 -6.064 -9.574 -0.767 1.00 0.00 C ATOM 786 O LYS A 111 -6.664 -10.620 -0.504 1.00 0.00 O ATOM 787 CB LYS A 111 -3.776 -10.659 -0.247 1.00 0.00 C ATOM 788 CG LYS A 111 -4.021 -12.131 -0.649 1.00 0.00 C ATOM 789 CD LYS A 111 -3.430 -12.493 -2.029 1.00 0.00 C ATOM 790 CE LYS A 111 -1.898 -12.384 -2.048 1.00 0.00 C ATOM 791 NZ LYS A 111 -1.309 -12.812 -3.339 1.00 0.00 N ATOM 0 H LYS A 111 -3.804 -7.743 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.437 -9.839 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.709 -10.454 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.040 -10.543 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.586 -12.784 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.094 -12.324 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.724 -13.509 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.849 -11.832 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.609 -11.353 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.485 -12.994 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.438 -12.273 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.086 -13.827 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.989 -12.637 -4.106 1.00 0.00 H new ATOM 905 N TYR A 118 -8.385 -4.602 4.505 1.00 0.00 N ATOM 906 CA TYR A 118 -7.501 -3.520 4.045 1.00 0.00 C ATOM 907 C TYR A 118 -8.208 -2.783 2.964 1.00 0.00 C ATOM 908 O TYR A 118 -7.685 -1.906 2.321 1.00 0.00 O ATOM 909 CB TYR A 118 -6.175 -4.054 3.496 1.00 0.00 C ATOM 910 CG TYR A 118 -5.378 -4.870 4.467 1.00 0.00 C ATOM 911 CD1 TYR A 118 -4.896 -4.304 5.635 1.00 0.00 C ATOM 912 CD2 TYR A 118 -5.099 -6.208 4.213 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.161 -5.049 6.532 1.00 0.00 C ATOM 914 CE2 TYR A 118 -4.364 -6.959 5.105 1.00 0.00 C ATOM 915 CZ TYR A 118 -3.897 -6.375 6.264 1.00 0.00 C ATOM 916 OH TYR A 118 -3.165 -7.121 7.159 1.00 0.00 O ATOM 0 HA TYR A 118 -7.270 -2.874 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.381 -4.662 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -5.568 -3.211 3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.099 -3.264 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.463 -6.665 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.794 -4.596 7.441 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.155 -7.998 4.898 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.070 -8.036 6.821 1.00 0.00 H new ATOM 926 N ASP A 119 -9.410 -3.155 2.801 1.00 0.00 N ATOM 927 CA ASP A 119 -10.304 -2.652 1.805 1.00 0.00 C ATOM 928 C ASP A 119 -10.512 -1.149 1.997 1.00 0.00 C ATOM 929 O ASP A 119 -10.665 -0.402 1.035 1.00 0.00 O ATOM 930 CB ASP A 119 -11.608 -3.428 1.924 1.00 0.00 C ATOM 931 CG ASP A 119 -11.400 -4.954 1.846 1.00 0.00 C ATOM 932 OD1 ASP A 119 -10.574 -5.532 2.627 1.00 0.00 O ATOM 933 OD2 ASP A 119 -12.107 -5.610 1.143 1.00 0.00 O ATOM 0 H ASP A 119 -9.841 -3.867 3.391 1.00 0.00 H new ATOM 0 HA ASP A 119 -9.895 -2.787 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.090 -3.179 2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.286 -3.116 1.129 1.00 0.00 H new ATOM 938 N ARG A 120 -10.444 -0.708 3.265 1.00 0.00 N ATOM 939 CA ARG A 120 -10.518 0.714 3.598 1.00 0.00 C ATOM 940 C ARG A 120 -9.352 1.471 2.961 1.00 0.00 C ATOM 941 O ARG A 120 -9.536 2.507 2.332 1.00 0.00 O ATOM 942 CB ARG A 120 -10.515 0.939 5.134 1.00 0.00 C ATOM 943 CG ARG A 120 -10.367 2.418 5.525 1.00 0.00 C ATOM 944 CD ARG A 120 -10.459 2.644 7.026 1.00 0.00 C ATOM 945 NE ARG A 120 -9.878 3.949 7.404 1.00 0.00 N ATOM 946 CZ ARG A 120 -9.863 4.470 8.647 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.620 3.951 9.612 1.00 0.00 N ATOM 948 NH2 ARG A 120 -9.091 5.515 8.914 1.00 0.00 N ATOM 0 H ARG A 120 -10.338 -1.322 4.073 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.458 1.097 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.442 0.549 5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.699 0.368 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.408 2.790 5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.142 3.000 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.502 2.602 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.936 1.844 7.550 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.452 4.503 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.220 3.150 9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.600 4.354 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.511 5.922 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.077 5.912 9.853 1.00 0.00 H new ATOM 962 N VAL A 121 -8.162 0.926 3.100 1.00 0.00 N ATOM 963 CA VAL A 121 -6.991 1.589 2.589 1.00 0.00 C ATOM 964 C VAL A 121 -6.887 1.388 1.068 1.00 0.00 C ATOM 965 O VAL A 121 -6.400 2.252 0.360 1.00 0.00 O ATOM 966 CB VAL A 121 -5.684 1.149 3.328 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.356 -0.289 3.094 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.529 2.034 2.946 1.00 0.00 C ATOM 0 H VAL A 121 -7.985 0.033 3.559 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.100 2.655 2.787 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.868 1.262 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.441 -0.545 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.174 -0.912 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.214 -0.461 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.632 1.709 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.362 1.971 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.755 3.065 3.218 1.00 0.00 H new ATOM 978 N TYR A 122 -7.394 0.255 0.588 1.00 0.00 N ATOM 979 CA TYR A 122 -7.447 -0.064 -0.838 1.00 0.00 C ATOM 980 C TYR A 122 -8.247 0.988 -1.594 1.00 0.00 C ATOM 981 O TYR A 122 -7.806 1.486 -2.634 1.00 0.00 O ATOM 982 CB TYR A 122 -8.051 -1.466 -1.039 1.00 0.00 C ATOM 983 CG TYR A 122 -8.407 -1.820 -2.470 1.00 0.00 C ATOM 984 CD1 TYR A 122 -7.428 -2.067 -3.428 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.740 -1.894 -2.860 1.00 0.00 C ATOM 986 CE1 TYR A 122 -7.778 -2.380 -4.728 1.00 0.00 C ATOM 987 CE2 TYR A 122 -10.092 -2.206 -4.153 1.00 0.00 C ATOM 988 CZ TYR A 122 -9.112 -2.447 -5.083 1.00 0.00 C ATOM 989 OH TYR A 122 -9.469 -2.762 -6.391 1.00 0.00 O ATOM 0 H TYR A 122 -7.784 -0.476 1.184 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.433 -0.062 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.343 -2.205 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.950 -1.547 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.385 -2.014 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.515 -1.703 -2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.011 -2.572 -5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -11.133 -2.261 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 122 -10.446 -2.768 -6.471 1.00 0.00 H new ATOM 999 N ASN A 123 -9.411 1.333 -1.057 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.253 2.365 -1.658 1.00 0.00 C ATOM 1001 C ASN A 123 -9.523 3.704 -1.628 1.00 0.00 C ATOM 1002 O ASN A 123 -9.565 4.469 -2.592 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.602 2.471 -0.927 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.573 3.476 -1.566 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.360 4.106 -0.877 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.557 3.598 -2.880 1.00 0.00 N ATOM 0 H ASN A 123 -9.794 0.916 -0.209 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.456 2.090 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.072 1.488 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.422 2.761 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.212 4.229 -3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.890 3.061 -3.434 1.00 0.00 H new ATOM 1013 N GLY A 124 -8.813 3.946 -0.535 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.030 5.152 -0.394 1.00 0.00 C ATOM 1015 C GLY A 124 -6.918 5.237 -1.430 1.00 0.00 C ATOM 1016 O GLY A 124 -6.715 6.281 -2.042 1.00 0.00 O ATOM 0 H GLY A 124 -8.767 3.317 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.682 6.020 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -7.597 5.188 0.606 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.226 4.120 -1.659 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.137 4.042 -2.647 1.00 0.00 C ATOM 1022 C TYR A 125 -5.612 4.384 -4.060 1.00 0.00 C ATOM 1023 O TYR A 125 -4.826 4.806 -4.909 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.491 2.654 -2.691 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.664 2.238 -1.494 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.735 3.092 -0.920 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.786 0.960 -0.967 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.961 2.684 0.142 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -3.009 0.547 0.089 1.00 0.00 C ATOM 1030 CZ TYR A 125 -2.100 1.410 0.639 1.00 0.00 C ATOM 1031 OH TYR A 125 -1.322 0.995 1.696 1.00 0.00 O ATOM 0 H TYR A 125 -6.400 3.243 -1.168 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.403 4.778 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -5.283 1.917 -2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -3.855 2.605 -3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.617 4.091 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.505 0.277 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -1.246 3.363 0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -3.115 -0.453 0.483 1.00 0.00 H new ATOM 0 HH TYR A 125 -1.547 0.069 1.924 1.00 0.00 H new ATOM 1041 N MET A 126 -6.888 4.215 -4.303 1.00 0.00 N ATOM 1042 CA MET A 126 -7.458 4.470 -5.615 1.00 0.00 C ATOM 1043 C MET A 126 -7.393 5.950 -5.982 1.00 0.00 C ATOM 1044 O MET A 126 -7.396 6.294 -7.148 1.00 0.00 O ATOM 1045 CB MET A 126 -8.912 3.984 -5.692 1.00 0.00 C ATOM 1046 CG MET A 126 -9.092 2.487 -5.482 1.00 0.00 C ATOM 1047 SD MET A 126 -10.830 1.973 -5.488 1.00 0.00 S ATOM 1048 CE MET A 126 -11.330 2.452 -7.145 1.00 0.00 C ATOM 0 H MET A 126 -7.562 3.899 -3.606 1.00 0.00 H new ATOM 0 HA MET A 126 -6.858 3.910 -6.332 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.499 4.516 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.320 4.252 -6.667 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.557 1.949 -6.265 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.638 2.202 -4.533 1.00 0.00 H new ATOM 0 HE1 MET A 126 -12.267 1.956 -7.400 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.469 3.532 -7.185 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.559 2.159 -7.857 1.00 0.00 H new ATOM 1058 N THR A 127 -7.299 6.813 -4.984 1.00 0.00 N ATOM 1059 CA THR A 127 -7.334 8.241 -5.227 1.00 0.00 C ATOM 1060 C THR A 127 -5.983 8.810 -5.680 1.00 0.00 C ATOM 1061 O THR A 127 -5.935 9.671 -6.544 1.00 0.00 O ATOM 1062 CB THR A 127 -7.836 9.020 -3.986 1.00 0.00 C ATOM 1063 OG1 THR A 127 -6.983 8.762 -2.857 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.268 8.633 -3.641 1.00 0.00 C ATOM 0 H THR A 127 -7.198 6.549 -4.004 1.00 0.00 H new ATOM 0 HA THR A 127 -8.040 8.377 -6.046 1.00 0.00 H new ATOM 0 HB THR A 127 -7.810 10.083 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 127 -7.003 7.806 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.596 9.194 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 127 -9.920 8.862 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.315 7.566 -3.426 1.00 0.00 H new ATOM 1072 N TYR A 128 -4.882 8.306 -5.122 1.00 0.00 N ATOM 1073 CA TYR A 128 -3.579 8.907 -5.410 1.00 0.00 C ATOM 1074 C TYR A 128 -3.129 8.645 -6.825 1.00 0.00 C ATOM 1075 O TYR A 128 -2.560 9.510 -7.462 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.468 8.462 -4.417 1.00 0.00 C ATOM 1077 CG TYR A 128 -1.919 7.018 -4.572 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -1.009 6.686 -5.587 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -2.285 6.011 -3.704 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -0.511 5.413 -5.720 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -1.778 4.725 -3.844 1.00 0.00 C ATOM 1082 CZ TYR A 128 -0.898 4.439 -4.854 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.407 3.161 -4.999 1.00 0.00 O ATOM 0 H TYR A 128 -4.863 7.508 -4.487 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.730 9.979 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.631 9.154 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.856 8.570 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -0.692 7.451 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -2.977 6.225 -2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 128 0.187 5.186 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -2.078 3.949 -3.155 1.00 0.00 H new ATOM 0 HH TYR A 128 0.175 3.122 -5.786 1.00 0.00 H new ATOM 1093 N ARG A 129 -3.475 7.476 -7.330 1.00 0.00 N ATOM 1094 CA ARG A 129 -2.922 6.964 -8.580 1.00 0.00 C ATOM 1095 C ARG A 129 -3.552 7.659 -9.805 1.00 0.00 C ATOM 1096 O ARG A 129 -3.267 7.312 -10.947 1.00 0.00 O ATOM 1097 CB ARG A 129 -3.141 5.453 -8.623 1.00 0.00 C ATOM 1098 CG ARG A 129 -2.266 4.662 -9.598 1.00 0.00 C ATOM 1099 CD ARG A 129 -0.838 4.371 -9.075 1.00 0.00 C ATOM 1100 NE ARG A 129 0.109 5.502 -9.105 1.00 0.00 N ATOM 1101 CZ ARG A 129 1.436 5.396 -8.833 1.00 0.00 C ATOM 1102 NH1 ARG A 129 1.929 4.307 -8.229 1.00 0.00 N ATOM 1103 NH2 ARG A 129 2.253 6.391 -9.115 1.00 0.00 N ATOM 0 H ARG A 129 -4.148 6.850 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 129 -1.854 7.180 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -2.979 5.056 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.185 5.267 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -2.758 3.716 -9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -2.192 5.216 -10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -0.915 4.016 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -0.417 3.556 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.256 6.423 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.306 3.543 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.927 4.242 -8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.890 7.245 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.249 6.307 -8.909 1.00 0.00 H new ATOM 1117 N ASP A 130 -4.421 8.610 -9.532 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.050 9.436 -10.556 1.00 0.00 C ATOM 1119 C ASP A 130 -4.216 10.698 -10.754 1.00 0.00 C ATOM 1120 O ASP A 130 -4.129 11.252 -11.847 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.482 9.809 -10.111 1.00 0.00 C ATOM 1122 CG ASP A 130 -7.211 10.760 -11.064 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -7.708 10.294 -12.112 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -7.337 11.965 -10.725 1.00 0.00 O ATOM 0 H ASP A 130 -4.718 8.838 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.106 8.887 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.068 8.895 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.435 10.269 -9.124 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.521 11.102 -9.691 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.769 12.341 -9.721 1.00 0.00 C ATOM 1131 C TYR A 131 -1.274 12.085 -9.761 1.00 0.00 C ATOM 1132 O TYR A 131 -0.485 13.005 -10.003 1.00 0.00 O ATOM 1133 CB TYR A 131 -3.122 13.209 -8.507 1.00 0.00 C ATOM 1134 CG TYR A 131 -4.598 13.514 -8.399 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -5.198 14.428 -9.251 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -5.390 12.878 -7.452 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -6.547 14.699 -9.168 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -6.741 13.145 -7.358 1.00 0.00 C ATOM 1139 CZ TYR A 131 -7.314 14.053 -8.221 1.00 0.00 C ATOM 1140 OH TYR A 131 -8.659 14.321 -8.142 1.00 0.00 O ATOM 0 H TYR A 131 -3.467 10.591 -8.810 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.043 12.872 -10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -2.796 12.702 -7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -2.568 14.146 -8.565 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -4.599 14.936 -9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -4.942 12.163 -6.778 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -7.000 15.413 -9.840 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -7.344 12.646 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 131 -9.058 13.785 -7.425 1.00 0.00 H new ATOM 1150 N VAL A 132 -0.889 10.859 -9.509 1.00 0.00 N ATOM 1151 CA VAL A 132 0.488 10.470 -9.488 1.00 0.00 C ATOM 1152 C VAL A 132 0.580 8.969 -9.712 1.00 0.00 C ATOM 1153 O VAL A 132 -0.236 8.222 -9.137 1.00 0.00 O ATOM 1154 CB VAL A 132 1.219 10.913 -8.163 1.00 0.00 C ATOM 1155 CG1 VAL A 132 0.561 10.341 -6.913 1.00 0.00 C ATOM 1156 CG2 VAL A 132 2.706 10.567 -8.204 1.00 0.00 C ATOM 1157 OXT VAL A 132 1.477 8.515 -10.428 1.00 0.00 O ATOM 0 H VAL A 132 -1.537 10.097 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 132 1.009 10.986 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 132 1.123 11.997 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.104 10.677 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.472 10.684 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 132 0.580 9.252 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 132 3.180 10.886 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.826 9.490 -8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.175 11.078 -9.045 1.00 0.00 H new