USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 713 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 57 THR OG1 : rot 89:sc= 1.21 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -4.3! C(o=-3.1!,f=-2.9!) USER MOD Set 2.1: A 73 THR OG1 : rot -160:sc= -0.25 USER MOD Set 2.2: A 76 HIS :FLIP no HD1:sc= -1.35 F(o=-2.5!,f=-1.6) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -137:sc= -8.99! (180deg=-11.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.991) USER MOD Single : A 52 THR OG1 : rot -39:sc= 0.105 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0475 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -2.02! C(o=-2!,f=-5.6!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.064 F(o=-1.6,f=-0.064) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0451 (180deg=-0.267) USER MOD Single : A 71 GLN : amide:sc= -8.06! C(o=-8.1!,f=-8.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 164:sc= -0.117 (180deg=-0.742) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.25 F(o=-2.6!,f=-1.3) USER MOD Single : A 89 SER OG : rot 13:sc= 0.978 USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0319 (180deg=-0.215) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.297 F(o=-0.81,f=-0.3) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= -0.0141 (180deg=-0.117) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.0067 USER MOD Single : A 100 MET CE :methyl 130:sc= -0.607 (180deg=-2.06!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00471 USER MOD Single : A 106 CYS SG : rot 180:sc= -0.5 USER MOD Single : A 110 LYS NZ :NH3+ -151:sc= 1.23 (180deg=-0.187) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -3.29! C(o=-5!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.042 -2.265 2.599 1.00 0.41 N ATOM 224 CA MET A 44 -12.187 -2.095 3.762 1.00 0.41 C ATOM 225 C MET A 44 -11.060 -1.105 3.469 1.00 0.31 C ATOM 226 O MET A 44 -10.972 -0.064 4.106 1.00 0.28 O ATOM 227 CB MET A 44 -11.617 -3.447 4.199 1.00 0.50 C ATOM 228 CG MET A 44 -12.667 -4.388 4.758 1.00 0.82 C ATOM 229 SD MET A 44 -13.584 -3.671 6.136 1.00 1.59 S ATOM 230 CE MET A 44 -14.771 -4.975 6.445 1.00 1.62 C ATOM 0 HA MET A 44 -12.788 -1.689 4.576 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.131 -3.921 3.346 1.00 0.50 H new ATOM 0 HB3 MET A 44 -10.848 -3.282 4.954 1.00 0.50 H new ATOM 0 HG2 MET A 44 -13.364 -4.659 3.965 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.185 -5.308 5.088 1.00 0.82 H new ATOM 0 HE1 MET A 44 -15.419 -4.688 7.273 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.374 -5.137 5.552 1.00 1.62 H new ATOM 0 HE3 MET A 44 -14.244 -5.895 6.698 1.00 1.62 H new ATOM 240 N MET A 45 -10.213 -1.417 2.490 1.00 0.28 N ATOM 241 CA MET A 45 -9.131 -0.508 2.104 1.00 0.22 C ATOM 242 C MET A 45 -9.682 0.746 1.442 1.00 0.20 C ATOM 243 O MET A 45 -9.121 1.826 1.588 1.00 0.20 O ATOM 244 CB MET A 45 -8.142 -1.183 1.153 1.00 0.24 C ATOM 245 CG MET A 45 -8.737 -1.516 -0.206 1.00 0.32 C ATOM 246 SD MET A 45 -7.690 -2.586 -1.201 1.00 0.98 S ATOM 247 CE MET A 45 -6.312 -1.498 -1.486 1.00 0.22 C ATOM 0 H MET A 45 -10.252 -2.283 1.953 1.00 0.28 H new ATOM 0 HA MET A 45 -8.607 -0.234 3.020 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.281 -0.529 1.013 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.775 -2.100 1.614 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.704 -1.998 -0.063 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.920 -0.590 -0.751 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.998 -1.573 -2.527 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.608 -0.472 -1.269 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.484 -1.782 -0.836 1.00 0.22 H new ATOM 257 N SER A 46 -10.762 0.591 0.695 1.00 0.24 N ATOM 258 CA SER A 46 -11.405 1.715 0.041 1.00 0.30 C ATOM 259 C SER A 46 -11.650 2.842 1.042 1.00 0.27 C ATOM 260 O SER A 46 -11.248 3.987 0.815 1.00 0.30 O ATOM 261 CB SER A 46 -12.712 1.247 -0.587 1.00 0.39 C ATOM 262 OG SER A 46 -13.418 2.297 -1.220 1.00 0.53 O ATOM 0 H SER A 46 -11.213 -0.308 0.527 1.00 0.24 H new ATOM 0 HA SER A 46 -10.755 2.104 -0.743 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.501 0.465 -1.316 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.342 0.803 0.183 1.00 0.39 H new ATOM 0 HG SER A 46 -14.247 1.947 -1.608 1.00 0.53 H new ATOM 268 N GLN A 47 -12.307 2.519 2.148 1.00 0.25 N ATOM 269 CA GLN A 47 -12.514 3.495 3.204 1.00 0.27 C ATOM 270 C GLN A 47 -11.239 3.704 4.029 1.00 0.24 C ATOM 271 O GLN A 47 -10.782 4.834 4.189 1.00 0.29 O ATOM 272 CB GLN A 47 -13.703 3.115 4.108 1.00 0.30 C ATOM 273 CG GLN A 47 -13.541 1.797 4.851 1.00 0.33 C ATOM 274 CD GLN A 47 -14.697 1.500 5.787 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.836 1.893 5.538 1.00 1.10 O ATOM 276 NE2 GLN A 47 -14.409 0.804 6.875 1.00 1.11 N ATOM 0 H GLN A 47 -12.702 1.597 2.335 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.759 4.442 2.722 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.857 3.911 4.837 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.604 3.064 3.497 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.449 0.987 4.127 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.614 1.820 5.423 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -13.451 0.496 7.045 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.145 0.575 7.544 1.00 1.11 H new ATOM 285 N ALA A 48 -10.649 2.613 4.521 1.00 0.21 N ATOM 286 CA ALA A 48 -9.554 2.698 5.483 1.00 0.22 C ATOM 287 C ALA A 48 -8.275 3.212 4.855 1.00 0.20 C ATOM 288 O ALA A 48 -7.707 4.187 5.331 1.00 0.22 O ATOM 289 CB ALA A 48 -9.291 1.351 6.135 1.00 0.24 C ATOM 0 H ALA A 48 -10.913 1.661 4.268 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.870 3.412 6.243 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.471 1.445 6.846 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.188 1.018 6.657 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.026 0.622 5.369 1.00 0.24 H new ATOM 295 N LEU A 49 -7.837 2.584 3.772 1.00 0.18 N ATOM 296 CA LEU A 49 -6.531 2.869 3.202 1.00 0.18 C ATOM 297 C LEU A 49 -6.487 4.263 2.627 1.00 0.19 C ATOM 298 O LEU A 49 -5.614 5.060 2.960 1.00 0.21 O ATOM 299 CB LEU A 49 -6.203 1.894 2.075 1.00 0.23 C ATOM 300 CG LEU A 49 -4.990 1.007 2.297 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.626 0.347 0.992 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.809 1.790 2.859 1.00 0.58 C ATOM 0 H LEU A 49 -8.370 1.873 3.271 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.805 2.770 4.009 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.071 1.255 1.909 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -6.048 2.465 1.160 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.241 0.248 3.038 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.756 -0.293 1.138 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.465 -0.255 0.642 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.394 1.111 0.250 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -2.963 1.118 3.003 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.531 2.580 2.161 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.088 2.232 3.815 1.00 0.58 H new ATOM 314 N LYS A 50 -7.429 4.543 1.746 1.00 0.19 N ATOM 315 CA LYS A 50 -7.417 5.788 1.011 1.00 0.21 C ATOM 316 C LYS A 50 -7.528 6.983 1.965 1.00 0.23 C ATOM 317 O LYS A 50 -7.022 8.070 1.684 1.00 0.27 O ATOM 318 CB LYS A 50 -8.534 5.793 -0.033 1.00 0.22 C ATOM 319 CG LYS A 50 -8.538 4.539 -0.900 1.00 0.20 C ATOM 320 CD LYS A 50 -7.182 4.300 -1.562 1.00 0.21 C ATOM 321 CE LYS A 50 -6.876 5.335 -2.636 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.584 5.044 -3.910 1.00 0.55 N ATOM 0 H LYS A 50 -8.209 3.925 1.524 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.466 5.880 0.486 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.496 5.884 0.471 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.425 6.670 -0.671 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.801 3.676 -0.289 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.306 4.631 -1.668 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.400 4.324 -0.803 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.166 3.304 -2.005 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.165 6.324 -2.279 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.801 5.362 -2.817 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.164 5.607 -4.677 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.495 4.032 -4.134 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.590 5.289 -3.812 1.00 0.55 H new ATOM 336 N ALA A 51 -8.198 6.767 3.091 1.00 0.22 N ATOM 337 CA ALA A 51 -8.277 7.769 4.146 1.00 0.23 C ATOM 338 C ALA A 51 -6.999 7.808 4.988 1.00 0.23 C ATOM 339 O ALA A 51 -6.476 8.882 5.289 1.00 0.26 O ATOM 340 CB ALA A 51 -9.484 7.516 5.034 1.00 0.25 C ATOM 0 H ALA A 51 -8.697 5.901 3.297 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.388 8.741 3.665 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.526 8.274 5.816 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.393 7.562 4.434 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.400 6.529 5.490 1.00 0.25 H new ATOM 346 N THR A 52 -6.488 6.626 5.334 1.00 0.21 N ATOM 347 CA THR A 52 -5.406 6.493 6.309 1.00 0.22 C ATOM 348 C THR A 52 -4.069 7.006 5.783 1.00 0.21 C ATOM 349 O THR A 52 -3.116 7.134 6.546 1.00 0.23 O ATOM 350 CB THR A 52 -5.233 5.018 6.751 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.451 4.943 7.949 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.559 4.191 5.664 1.00 0.18 C ATOM 0 H THR A 52 -6.811 5.738 4.948 1.00 0.21 H new ATOM 0 HA THR A 52 -5.697 7.108 7.160 1.00 0.22 H new ATOM 0 HB THR A 52 -6.228 4.613 6.936 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.724 5.599 7.907 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.452 3.161 6.004 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.168 4.213 4.760 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.574 4.606 5.449 1.00 0.18 H new ATOM 360 N PHE A 53 -4.000 7.320 4.496 1.00 0.23 N ATOM 361 CA PHE A 53 -2.726 7.640 3.863 1.00 0.27 C ATOM 362 C PHE A 53 -1.986 8.776 4.561 1.00 0.32 C ATOM 363 O PHE A 53 -0.764 8.872 4.456 1.00 0.34 O ATOM 364 CB PHE A 53 -2.910 7.980 2.388 1.00 0.31 C ATOM 365 CG PHE A 53 -3.261 6.793 1.550 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.623 5.582 1.747 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.228 6.881 0.571 1.00 0.36 C ATOM 368 CE1 PHE A 53 -2.945 4.482 0.980 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.552 5.784 -0.197 1.00 0.39 C ATOM 370 CZ PHE A 53 -3.909 4.582 0.005 1.00 0.38 C ATOM 0 H PHE A 53 -4.806 7.360 3.872 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.115 6.742 3.954 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.694 8.731 2.290 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.992 8.427 2.007 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.864 5.497 2.510 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.736 7.819 0.405 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.440 3.542 1.145 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.312 5.866 -0.960 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.161 3.723 -0.599 1.00 0.38 H new ATOM 380 N SER A 54 -2.711 9.611 5.286 1.00 0.36 N ATOM 381 CA SER A 54 -2.104 10.718 5.998 1.00 0.44 C ATOM 382 C SER A 54 -1.166 10.223 7.100 1.00 0.39 C ATOM 383 O SER A 54 -0.320 10.968 7.575 1.00 0.46 O ATOM 384 CB SER A 54 -3.196 11.611 6.579 1.00 0.55 C ATOM 385 OG SER A 54 -4.248 10.830 7.124 1.00 1.37 O ATOM 0 H SER A 54 -3.723 9.541 5.396 1.00 0.36 H new ATOM 0 HA SER A 54 -1.504 11.296 5.295 1.00 0.44 H new ATOM 0 HB2 SER A 54 -2.774 12.252 7.353 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.589 12.266 5.801 1.00 0.55 H new ATOM 0 HG SER A 54 -4.937 11.421 7.493 1.00 1.37 H new ATOM 391 N GLY A 55 -1.339 8.978 7.525 1.00 0.31 N ATOM 392 CA GLY A 55 -0.441 8.386 8.499 1.00 0.28 C ATOM 393 C GLY A 55 1.009 8.332 8.042 1.00 0.22 C ATOM 394 O GLY A 55 1.870 9.013 8.602 1.00 0.25 O ATOM 0 H GLY A 55 -2.090 8.364 7.210 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.499 8.956 9.427 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.779 7.375 8.724 1.00 0.28 H new ATOM 398 N PHE A 56 1.282 7.539 7.013 1.00 0.15 N ATOM 399 CA PHE A 56 2.662 7.308 6.589 1.00 0.12 C ATOM 400 C PHE A 56 3.168 8.438 5.722 1.00 0.13 C ATOM 401 O PHE A 56 4.267 8.909 5.912 1.00 0.17 O ATOM 402 CB PHE A 56 2.819 6.001 5.821 1.00 0.13 C ATOM 403 CG PHE A 56 4.253 5.691 5.496 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.063 5.047 6.418 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.799 6.065 4.279 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.386 4.781 6.132 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.123 5.801 3.989 1.00 0.26 C ATOM 408 CZ PHE A 56 6.917 5.161 4.917 1.00 0.28 C ATOM 0 H PHE A 56 0.578 7.049 6.461 1.00 0.15 H new ATOM 0 HA PHE A 56 3.251 7.252 7.505 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.399 5.185 6.410 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.244 6.056 4.896 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.653 4.750 7.372 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.182 6.569 3.549 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.005 4.276 6.858 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.536 6.096 3.036 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.954 4.957 4.693 1.00 0.28 H new ATOM 418 N THR A 57 2.349 8.871 4.782 1.00 0.16 N ATOM 419 CA THR A 57 2.749 9.915 3.829 1.00 0.24 C ATOM 420 C THR A 57 3.193 11.188 4.564 1.00 0.26 C ATOM 421 O THR A 57 3.994 11.976 4.059 1.00 0.35 O ATOM 422 CB THR A 57 1.590 10.256 2.888 1.00 0.32 C ATOM 423 OG1 THR A 57 0.919 9.045 2.501 1.00 0.39 O ATOM 424 CG2 THR A 57 2.085 10.982 1.645 1.00 0.46 C ATOM 0 H THR A 57 1.400 8.522 4.650 1.00 0.16 H new ATOM 0 HA THR A 57 3.587 9.529 3.248 1.00 0.24 H new ATOM 0 HB THR A 57 0.901 10.915 3.416 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.216 8.838 3.152 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.239 11.211 0.996 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.579 11.909 1.937 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.791 10.347 1.110 1.00 0.46 H new ATOM 432 N LYS A 58 2.680 11.348 5.778 1.00 0.24 N ATOM 433 CA LYS A 58 3.023 12.484 6.629 1.00 0.31 C ATOM 434 C LYS A 58 4.380 12.251 7.280 1.00 0.29 C ATOM 435 O LYS A 58 5.242 13.131 7.296 1.00 0.31 O ATOM 436 CB LYS A 58 1.960 12.666 7.709 1.00 0.39 C ATOM 437 CG LYS A 58 2.263 13.756 8.723 1.00 0.50 C ATOM 438 CD LYS A 58 1.397 13.595 9.962 1.00 1.34 C ATOM 439 CE LYS A 58 1.702 12.288 10.675 1.00 1.93 C ATOM 440 NZ LYS A 58 0.761 12.018 11.794 1.00 2.52 N ATOM 0 H LYS A 58 2.017 10.698 6.200 1.00 0.24 H new ATOM 0 HA LYS A 58 3.068 13.384 6.016 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.008 12.891 7.228 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.834 11.721 8.238 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.316 13.717 9.002 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.088 14.734 8.276 1.00 0.50 H new ATOM 0 HD2 LYS A 58 1.567 14.431 10.640 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.344 13.622 9.680 1.00 1.34 H new ATOM 0 HE2 LYS A 58 1.655 11.468 9.959 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.721 12.317 11.060 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.011 11.116 12.248 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 0.823 12.786 12.493 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 -0.210 11.963 11.425 1.00 2.52 H new ATOM 454 N GLU A 59 4.573 11.039 7.789 1.00 0.26 N ATOM 455 CA GLU A 59 5.788 10.703 8.513 1.00 0.25 C ATOM 456 C GLU A 59 6.897 10.352 7.524 1.00 0.21 C ATOM 457 O GLU A 59 8.074 10.381 7.856 1.00 0.24 O ATOM 458 CB GLU A 59 5.534 9.549 9.490 1.00 0.31 C ATOM 459 CG GLU A 59 6.256 8.261 9.138 1.00 0.43 C ATOM 460 CD GLU A 59 6.083 7.195 10.200 1.00 0.76 C ATOM 461 OE1 GLU A 59 6.557 7.403 11.340 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.466 6.150 9.910 1.00 0.97 O ATOM 0 H GLU A 59 3.902 10.275 7.712 1.00 0.26 H new ATOM 0 HA GLU A 59 6.104 11.567 9.098 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.838 9.861 10.489 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.463 9.352 9.530 1.00 0.31 H new ATOM 0 HG2 GLU A 59 5.881 7.886 8.186 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.318 8.468 9.004 1.00 0.43 H new ATOM 469 N GLN A 60 6.492 10.018 6.309 1.00 0.19 N ATOM 470 CA GLN A 60 7.409 9.790 5.204 1.00 0.19 C ATOM 471 C GLN A 60 8.272 11.023 5.042 1.00 0.22 C ATOM 472 O GLN A 60 9.489 10.949 4.973 1.00 0.23 O ATOM 473 CB GLN A 60 6.600 9.536 3.928 1.00 0.21 C ATOM 474 CG GLN A 60 7.328 8.764 2.847 1.00 0.28 C ATOM 475 CD GLN A 60 6.394 8.387 1.713 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.191 8.214 1.917 1.00 0.90 O ATOM 477 NE2 GLN A 60 6.931 8.254 0.516 1.00 0.26 N ATOM 0 H GLN A 60 5.510 9.897 6.060 1.00 0.19 H new ATOM 0 HA GLN A 60 8.042 8.924 5.397 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.694 8.992 4.194 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.287 10.496 3.518 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.150 9.365 2.459 1.00 0.28 H new ATOM 0 HG3 GLN A 60 7.767 7.862 3.274 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.931 8.405 0.386 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.346 8.000 -0.280 1.00 0.26 H new ATOM 486 N GLN A 61 7.606 12.161 5.052 1.00 0.28 N ATOM 487 CA GLN A 61 8.272 13.454 4.988 1.00 0.34 C ATOM 488 C GLN A 61 9.179 13.645 6.198 1.00 0.34 C ATOM 489 O GLN A 61 10.300 14.144 6.085 1.00 0.37 O ATOM 490 CB GLN A 61 7.224 14.563 4.947 1.00 0.45 C ATOM 491 CG GLN A 61 6.233 14.397 3.808 1.00 0.58 C ATOM 492 CD GLN A 61 6.904 14.416 2.450 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.390 13.263 2.014 1.00 1.23 O flip ATOM 494 NE2 GLN A 61 7.000 15.459 1.806 1.00 1.12 N flip ATOM 0 H GLN A 61 6.589 12.219 5.105 1.00 0.28 H new ATOM 0 HA GLN A 61 8.883 13.494 4.086 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.683 14.580 5.893 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.725 15.526 4.849 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.696 13.456 3.932 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.492 15.195 3.855 1.00 0.58 H new ATOM 0 HE21 GLN A 61 6.612 16.326 2.178 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.468 15.458 0.900 1.00 1.12 H new ATOM 503 N ARG A 62 8.677 13.224 7.350 1.00 0.34 N ATOM 504 CA ARG A 62 9.393 13.334 8.613 1.00 0.39 C ATOM 505 C ARG A 62 10.660 12.480 8.603 1.00 0.36 C ATOM 506 O ARG A 62 11.744 12.959 8.917 1.00 0.41 O ATOM 507 CB ARG A 62 8.472 12.891 9.748 1.00 0.44 C ATOM 508 CG ARG A 62 9.067 13.060 11.130 1.00 0.58 C ATOM 509 CD ARG A 62 9.338 14.519 11.445 1.00 1.13 C ATOM 510 NE ARG A 62 9.917 14.679 12.772 1.00 1.93 N ATOM 511 CZ ARG A 62 10.136 15.854 13.355 1.00 2.74 C ATOM 512 NH1 ARG A 62 9.806 16.985 12.740 1.00 2.99 N ATOM 513 NH2 ARG A 62 10.676 15.900 14.564 1.00 3.73 N ATOM 0 H ARG A 62 7.756 12.794 7.435 1.00 0.34 H new ATOM 0 HA ARG A 62 9.691 14.372 8.760 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.544 13.460 9.692 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.212 11.843 9.602 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.385 12.647 11.874 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.996 12.493 11.199 1.00 0.58 H new ATOM 0 HD2 ARG A 62 10.015 14.934 10.699 1.00 1.13 H new ATOM 0 HD3 ARG A 62 8.409 15.085 11.382 1.00 1.13 H new ATOM 0 HE ARG A 62 10.171 13.836 13.287 1.00 1.93 H new ATOM 0 HH11 ARG A 62 9.381 16.956 11.813 1.00 2.99 H new ATOM 0 HH12 ARG A 62 9.978 17.882 13.195 1.00 2.99 H new ATOM 0 HH21 ARG A 62 10.923 15.035 15.046 1.00 3.73 H new ATOM 0 HH22 ARG A 62 10.845 16.800 15.013 1.00 3.73 H new ATOM 527 N LEU A 63 10.503 11.219 8.219 1.00 0.30 N ATOM 528 CA LEU A 63 11.609 10.265 8.152 1.00 0.32 C ATOM 529 C LEU A 63 12.500 10.523 6.953 1.00 0.31 C ATOM 530 O LEU A 63 13.360 9.707 6.620 1.00 0.37 O ATOM 531 CB LEU A 63 11.072 8.835 8.109 1.00 0.33 C ATOM 532 CG LEU A 63 10.275 8.400 9.342 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.728 6.995 9.152 1.00 1.01 C ATOM 534 CD2 LEU A 63 11.142 8.473 10.593 1.00 0.65 C ATOM 0 H LEU A 63 9.603 10.826 7.944 1.00 0.30 H new ATOM 0 HA LEU A 63 12.213 10.396 9.050 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.437 8.729 7.230 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.912 8.152 7.980 1.00 0.33 H new ATOM 0 HG LEU A 63 9.435 9.083 9.468 1.00 0.40 H new ATOM 0 HD11 LEU A 63 9.164 6.701 10.037 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.073 6.974 8.281 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.554 6.300 9.001 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.558 8.160 11.459 1.00 0.65 H new ATOM 0 HD22 LEU A 63 12.003 7.814 10.478 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.486 9.497 10.738 1.00 0.65 H new ATOM 546 N GLY A 64 12.282 11.659 6.313 1.00 0.28 N ATOM 547 CA GLY A 64 13.091 12.043 5.179 1.00 0.30 C ATOM 548 C GLY A 64 12.927 11.080 4.039 1.00 0.27 C ATOM 549 O GLY A 64 13.771 11.006 3.145 1.00 0.33 O ATOM 0 H GLY A 64 11.553 12.327 6.562 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.812 13.045 4.854 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.139 12.084 5.475 1.00 0.30 H new ATOM 553 N ILE A 65 11.833 10.337 4.075 1.00 0.22 N ATOM 554 CA ILE A 65 11.561 9.350 3.068 1.00 0.20 C ATOM 555 C ILE A 65 10.926 10.023 1.859 1.00 0.21 C ATOM 556 O ILE A 65 9.868 10.642 1.974 1.00 0.23 O ATOM 557 CB ILE A 65 10.623 8.222 3.562 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.185 7.561 4.822 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.423 7.180 2.462 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.369 6.380 5.301 1.00 0.20 C ATOM 0 H ILE A 65 11.120 10.407 4.801 1.00 0.22 H new ATOM 0 HA ILE A 65 12.515 8.891 2.809 1.00 0.20 H new ATOM 0 HB ILE A 65 9.657 8.663 3.809 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.205 7.231 4.625 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.238 8.303 5.619 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.761 6.392 2.823 1.00 0.19 H new ATOM 0 HG22 ILE A 65 9.979 7.655 1.587 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.386 6.748 2.190 1.00 0.19 H new ATOM 0 HD11 ILE A 65 10.826 5.961 6.198 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.355 6.707 5.530 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.337 5.619 4.521 1.00 0.20 H new ATOM 572 N PRO A 66 11.597 9.957 0.705 1.00 0.24 N ATOM 573 CA PRO A 66 11.063 10.479 -0.551 1.00 0.27 C ATOM 574 C PRO A 66 9.638 9.994 -0.804 1.00 0.22 C ATOM 575 O PRO A 66 9.315 8.840 -0.520 1.00 0.23 O ATOM 576 CB PRO A 66 11.993 9.914 -1.621 1.00 0.35 C ATOM 577 CG PRO A 66 13.174 9.319 -0.918 1.00 0.26 C ATOM 578 CD PRO A 66 12.945 9.399 0.560 1.00 0.31 C ATOM 0 HA PRO A 66 11.020 11.568 -0.543 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.480 9.159 -2.216 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.310 10.699 -2.307 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.312 8.282 -1.223 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.084 9.855 -1.189 1.00 0.26 H new ATOM 0 HD2 PRO A 66 13.017 8.416 1.024 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.689 10.034 1.041 1.00 0.31 H new ATOM 586 N LYS A 67 8.797 10.887 -1.331 1.00 0.25 N ATOM 587 CA LYS A 67 7.381 10.593 -1.573 1.00 0.27 C ATOM 588 C LYS A 67 7.195 9.494 -2.612 1.00 0.25 C ATOM 589 O LYS A 67 6.176 8.809 -2.618 1.00 0.36 O ATOM 590 CB LYS A 67 6.647 11.854 -2.042 1.00 0.43 C ATOM 591 CG LYS A 67 6.657 12.979 -1.024 1.00 1.04 C ATOM 592 CD LYS A 67 6.005 14.247 -1.561 1.00 1.15 C ATOM 593 CE LYS A 67 4.510 14.071 -1.789 1.00 1.67 C ATOM 594 NZ LYS A 67 3.786 13.756 -0.529 1.00 2.42 N ATOM 0 H LYS A 67 9.076 11.830 -1.601 1.00 0.25 H new ATOM 0 HA LYS A 67 6.962 10.246 -0.628 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.105 12.208 -2.966 1.00 0.43 H new ATOM 0 HB3 LYS A 67 5.614 11.597 -2.276 1.00 0.43 H new ATOM 0 HG2 LYS A 67 6.134 12.657 -0.124 1.00 1.04 H new ATOM 0 HG3 LYS A 67 7.685 13.196 -0.735 1.00 1.04 H new ATOM 0 HD2 LYS A 67 6.170 15.064 -0.859 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.483 14.531 -2.499 1.00 1.15 H new ATOM 0 HE2 LYS A 67 4.100 14.983 -2.224 1.00 1.67 H new ATOM 0 HE3 LYS A 67 4.345 13.271 -2.511 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 2.765 13.893 -0.672 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 3.968 12.768 -0.262 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 4.118 14.386 0.229 1.00 2.42 H new ATOM 608 N ASP A 68 8.180 9.336 -3.483 1.00 0.28 N ATOM 609 CA ASP A 68 8.112 8.359 -4.556 1.00 0.28 C ATOM 610 C ASP A 68 8.481 6.988 -4.015 1.00 0.21 C ATOM 611 O ASP A 68 9.147 6.899 -2.995 1.00 0.23 O ATOM 612 CB ASP A 68 9.073 8.804 -5.667 1.00 0.39 C ATOM 613 CG ASP A 68 9.185 7.821 -6.806 1.00 1.12 C ATOM 614 OD1 ASP A 68 8.264 7.767 -7.638 1.00 1.65 O ATOM 615 OD2 ASP A 68 10.185 7.084 -6.867 1.00 1.88 O ATOM 0 H ASP A 68 9.044 9.878 -3.466 1.00 0.28 H new ATOM 0 HA ASP A 68 7.104 8.293 -4.964 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.739 9.764 -6.060 1.00 0.39 H new ATOM 0 HB3 ASP A 68 10.062 8.962 -5.237 1.00 0.39 H new ATOM 620 N PRO A 69 7.995 5.897 -4.624 1.00 0.19 N ATOM 621 CA PRO A 69 8.403 4.547 -4.259 1.00 0.20 C ATOM 622 C PRO A 69 9.345 3.865 -5.266 1.00 0.26 C ATOM 623 O PRO A 69 9.674 2.704 -5.095 1.00 0.65 O ATOM 624 CB PRO A 69 7.056 3.856 -4.259 1.00 0.40 C ATOM 625 CG PRO A 69 6.329 4.465 -5.419 1.00 0.37 C ATOM 626 CD PRO A 69 6.902 5.857 -5.607 1.00 0.22 C ATOM 0 HA PRO A 69 8.974 4.519 -3.331 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.162 2.778 -4.377 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.523 4.023 -3.323 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.464 3.865 -6.319 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.257 4.510 -5.224 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.266 6.010 -6.623 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.158 6.630 -5.415 1.00 0.22 H new ATOM 634 N ARG A 70 9.769 4.581 -6.303 1.00 0.20 N ATOM 635 CA ARG A 70 10.611 4.006 -7.369 1.00 0.26 C ATOM 636 C ARG A 70 12.103 4.274 -7.145 1.00 0.19 C ATOM 637 O ARG A 70 12.930 4.003 -8.016 1.00 0.27 O ATOM 638 CB ARG A 70 10.211 4.550 -8.746 1.00 0.46 C ATOM 639 CG ARG A 70 9.026 3.841 -9.385 1.00 0.96 C ATOM 640 CD ARG A 70 7.698 4.252 -8.771 1.00 0.87 C ATOM 641 NE ARG A 70 7.428 5.674 -8.993 1.00 1.06 N ATOM 642 CZ ARG A 70 6.687 6.167 -9.987 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.080 5.359 -10.849 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.550 7.483 -10.110 1.00 1.79 N ATOM 0 H ARG A 70 9.546 5.567 -6.436 1.00 0.20 H new ATOM 0 HA ARG A 70 10.445 2.929 -7.335 1.00 0.26 H new ATOM 0 HB2 ARG A 70 9.975 5.610 -8.649 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.068 4.474 -9.415 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.011 4.058 -10.453 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.152 2.763 -9.280 1.00 0.96 H new ATOM 0 HD2 ARG A 70 6.895 3.655 -9.203 1.00 0.87 H new ATOM 0 HD3 ARG A 70 7.710 4.044 -7.701 1.00 0.87 H new ATOM 0 HE ARG A 70 7.838 6.339 -8.337 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.177 4.348 -10.756 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.517 5.750 -11.604 1.00 1.89 H new ATOM 0 HH21 ARG A 70 7.010 8.108 -9.447 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.985 7.868 -10.867 1.00 1.79 H new ATOM 658 N GLN A 71 12.431 4.805 -5.983 1.00 0.16 N ATOM 659 CA GLN A 71 13.807 5.197 -5.670 1.00 0.16 C ATOM 660 C GLN A 71 14.146 4.925 -4.209 1.00 0.15 C ATOM 661 O GLN A 71 15.155 5.403 -3.694 1.00 0.18 O ATOM 662 CB GLN A 71 14.064 6.685 -6.013 1.00 0.20 C ATOM 663 CG GLN A 71 13.060 7.692 -5.450 1.00 0.38 C ATOM 664 CD GLN A 71 12.412 7.234 -4.172 1.00 0.26 C ATOM 665 OE1 GLN A 71 12.932 7.439 -3.084 1.00 0.89 O ATOM 666 NE2 GLN A 71 11.273 6.598 -4.305 1.00 0.29 N ATOM 0 H GLN A 71 11.764 4.979 -5.231 1.00 0.16 H new ATOM 0 HA GLN A 71 14.461 4.586 -6.291 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.057 6.953 -5.652 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.081 6.788 -7.098 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.567 8.640 -5.273 1.00 0.38 H new ATOM 0 HG3 GLN A 71 12.287 7.879 -6.195 1.00 0.38 H new ATOM 0 HE21 GLN A 71 10.877 6.450 -5.233 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.783 6.251 -3.480 1.00 0.29 H new ATOM 675 N TRP A 72 13.304 4.142 -3.559 1.00 0.12 N ATOM 676 CA TRP A 72 13.422 3.879 -2.139 1.00 0.11 C ATOM 677 C TRP A 72 14.515 2.862 -1.849 1.00 0.12 C ATOM 678 O TRP A 72 15.004 2.175 -2.741 1.00 0.14 O ATOM 679 CB TRP A 72 12.095 3.298 -1.640 1.00 0.11 C ATOM 680 CG TRP A 72 11.088 4.298 -1.175 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.268 5.628 -0.926 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.726 4.014 -0.878 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.085 6.184 -0.499 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.122 5.211 -0.468 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.958 2.857 -0.932 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.779 5.277 -0.111 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.632 2.923 -0.578 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.053 4.123 -0.175 1.00 0.10 C ATOM 0 H TRP A 72 12.517 3.670 -4.004 1.00 0.12 H new ATOM 0 HA TRP A 72 13.669 4.815 -1.638 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.652 2.709 -2.443 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.305 2.612 -0.820 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.199 6.163 -1.046 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.947 7.163 -0.246 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.396 1.921 -1.247 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.328 6.206 0.205 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 7.028 2.028 -0.613 1.00 0.10 H new ATOM 0 HH2 TRP A 72 6.007 4.141 0.093 1.00 0.10 H new ATOM 699 N THR A 73 14.943 2.817 -0.607 1.00 0.14 N ATOM 700 CA THR A 73 15.760 1.725 -0.127 1.00 0.15 C ATOM 701 C THR A 73 14.853 0.633 0.425 1.00 0.15 C ATOM 702 O THR A 73 13.642 0.851 0.545 1.00 0.16 O ATOM 703 CB THR A 73 16.705 2.213 0.983 1.00 0.18 C ATOM 704 OG1 THR A 73 15.929 2.754 2.065 1.00 0.19 O ATOM 705 CG2 THR A 73 17.652 3.285 0.463 1.00 0.21 C ATOM 0 H THR A 73 14.737 3.529 0.093 1.00 0.14 H new ATOM 0 HA THR A 73 16.358 1.335 -0.951 1.00 0.15 H new ATOM 0 HB THR A 73 17.296 1.365 1.328 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.494 3.339 2.612 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.309 3.612 1.269 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.251 2.877 -0.351 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.075 4.135 0.098 1.00 0.21 H new ATOM 713 N GLU A 74 15.405 -0.519 0.778 1.00 0.17 N ATOM 714 CA GLU A 74 14.608 -1.558 1.417 1.00 0.20 C ATOM 715 C GLU A 74 14.041 -1.033 2.732 1.00 0.19 C ATOM 716 O GLU A 74 12.958 -1.428 3.156 1.00 0.28 O ATOM 717 CB GLU A 74 15.423 -2.837 1.654 1.00 0.29 C ATOM 718 CG GLU A 74 16.711 -2.638 2.439 1.00 1.25 C ATOM 719 CD GLU A 74 17.882 -2.244 1.562 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.002 -1.050 1.215 1.00 2.67 O ATOM 721 OE2 GLU A 74 18.690 -3.129 1.215 1.00 1.99 O ATOM 0 H GLU A 74 16.387 -0.757 0.636 1.00 0.17 H new ATOM 0 HA GLU A 74 13.789 -1.818 0.747 1.00 0.20 H new ATOM 0 HB2 GLU A 74 14.798 -3.556 2.185 1.00 0.29 H new ATOM 0 HB3 GLU A 74 15.668 -3.279 0.688 1.00 0.29 H new ATOM 0 HG2 GLU A 74 16.555 -1.868 3.195 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.954 -3.559 2.968 1.00 1.25 H new ATOM 728 N THR A 75 14.761 -0.092 3.334 1.00 0.18 N ATOM 729 CA THR A 75 14.331 0.538 4.570 1.00 0.21 C ATOM 730 C THR A 75 13.042 1.319 4.342 1.00 0.17 C ATOM 731 O THR A 75 12.081 1.185 5.098 1.00 0.20 O ATOM 732 CB THR A 75 15.415 1.497 5.101 1.00 0.29 C ATOM 733 OG1 THR A 75 16.653 0.795 5.252 1.00 0.47 O ATOM 734 CG2 THR A 75 15.008 2.102 6.434 1.00 0.47 C ATOM 0 H THR A 75 15.653 0.251 2.979 1.00 0.18 H new ATOM 0 HA THR A 75 14.159 -0.248 5.306 1.00 0.21 H new ATOM 0 HB THR A 75 15.535 2.305 4.379 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.339 1.409 5.588 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.792 2.774 6.783 1.00 0.47 H new ATOM 0 HG22 THR A 75 14.080 2.660 6.312 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.860 1.307 7.164 1.00 0.47 H new ATOM 742 N HIS A 76 13.022 2.108 3.271 1.00 0.14 N ATOM 743 CA HIS A 76 11.887 2.975 2.984 1.00 0.12 C ATOM 744 C HIS A 76 10.700 2.155 2.480 1.00 0.10 C ATOM 745 O HIS A 76 9.558 2.396 2.874 1.00 0.10 O ATOM 746 CB HIS A 76 12.273 4.065 1.973 1.00 0.14 C ATOM 747 CG HIS A 76 13.318 5.008 2.482 1.00 0.15 C ATOM 748 ND1 HIS A 76 13.595 5.424 3.739 1.00 0.20 N flip ATOM 749 CD2 HIS A 76 14.224 5.646 1.664 1.00 0.16 C flip ATOM 750 CE1 HIS A 76 14.654 6.289 3.655 1.00 0.22 C flip ATOM 751 NE2 HIS A 76 15.015 6.403 2.392 1.00 0.19 N flip ATOM 0 H HIS A 76 13.779 2.164 2.589 1.00 0.14 H new ATOM 0 HA HIS A 76 11.590 3.469 3.909 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.636 3.591 1.061 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.382 4.633 1.705 1.00 0.14 H new ATOM 0 HD2 HIS A 76 14.277 5.541 0.590 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.118 6.796 4.488 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.778 6.980 2.040 1.00 0.19 H new ATOM 760 N VAL A 77 10.981 1.168 1.628 1.00 0.09 N ATOM 761 CA VAL A 77 9.949 0.311 1.086 1.00 0.07 C ATOM 762 C VAL A 77 9.276 -0.471 2.203 1.00 0.08 C ATOM 763 O VAL A 77 8.073 -0.363 2.396 1.00 0.08 O ATOM 764 CB VAL A 77 10.522 -0.668 0.033 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.489 -1.717 -0.352 1.00 0.09 C ATOM 766 CG2 VAL A 77 11.001 0.089 -1.202 1.00 0.08 C ATOM 0 H VAL A 77 11.923 0.949 1.303 1.00 0.09 H new ATOM 0 HA VAL A 77 9.213 0.947 0.594 1.00 0.07 H new ATOM 0 HB VAL A 77 11.376 -1.179 0.477 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.916 -2.393 -1.093 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.199 -2.284 0.533 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.611 -1.226 -0.772 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.400 -0.618 -1.930 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.165 0.631 -1.643 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.781 0.795 -0.916 1.00 0.08 H new ATOM 776 N ARG A 78 10.064 -1.224 2.964 1.00 0.09 N ATOM 777 CA ARG A 78 9.518 -2.084 4.008 1.00 0.11 C ATOM 778 C ARG A 78 8.837 -1.272 5.102 1.00 0.10 C ATOM 779 O ARG A 78 7.905 -1.755 5.744 1.00 0.14 O ATOM 780 CB ARG A 78 10.601 -2.974 4.607 1.00 0.18 C ATOM 781 CG ARG A 78 11.211 -3.932 3.599 1.00 0.37 C ATOM 782 CD ARG A 78 12.177 -4.896 4.260 1.00 0.40 C ATOM 783 NE ARG A 78 13.047 -5.545 3.281 1.00 1.11 N ATOM 784 CZ ARG A 78 13.971 -6.458 3.586 1.00 1.43 C ATOM 785 NH1 ARG A 78 14.071 -6.926 4.824 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.785 -6.919 2.645 1.00 2.21 N ATOM 0 H ARG A 78 11.080 -1.256 2.878 1.00 0.09 H new ATOM 0 HA ARG A 78 8.766 -2.720 3.541 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.388 -2.347 5.025 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.177 -3.546 5.432 1.00 0.18 H new ATOM 0 HG2 ARG A 78 10.419 -4.493 3.103 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.732 -3.366 2.827 1.00 0.37 H new ATOM 0 HD2 ARG A 78 12.785 -4.360 4.988 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.617 -5.654 4.808 1.00 0.40 H new ATOM 0 HE ARG A 78 12.941 -5.283 2.301 1.00 1.11 H new ATOM 0 HH11 ARG A 78 13.439 -6.588 5.550 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.780 -7.624 5.050 1.00 1.57 H new ATOM 0 HH21 ARG A 78 14.705 -6.575 1.688 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.491 -7.617 2.879 1.00 2.21 H new ATOM 800 N ASP A 79 9.295 -0.039 5.299 1.00 0.11 N ATOM 801 CA ASP A 79 8.665 0.879 6.246 1.00 0.12 C ATOM 802 C ASP A 79 7.213 1.089 5.858 1.00 0.11 C ATOM 803 O ASP A 79 6.283 0.889 6.650 1.00 0.12 O ATOM 804 CB ASP A 79 9.375 2.230 6.223 1.00 0.16 C ATOM 805 CG ASP A 79 9.353 2.920 7.570 1.00 0.57 C ATOM 806 OD1 ASP A 79 8.248 3.129 8.118 1.00 1.05 O ATOM 807 OD2 ASP A 79 10.431 3.271 8.085 1.00 0.95 O ATOM 0 H ASP A 79 10.104 0.350 4.814 1.00 0.11 H new ATOM 0 HA ASP A 79 8.731 0.449 7.245 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.409 2.088 5.908 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.901 2.873 5.481 1.00 0.16 H new ATOM 812 N TRP A 80 7.031 1.439 4.598 1.00 0.10 N ATOM 813 CA TRP A 80 5.726 1.716 4.045 1.00 0.09 C ATOM 814 C TRP A 80 4.959 0.416 3.850 1.00 0.09 C ATOM 815 O TRP A 80 3.729 0.372 3.957 1.00 0.09 O ATOM 816 CB TRP A 80 5.941 2.446 2.723 1.00 0.09 C ATOM 817 CG TRP A 80 4.865 2.258 1.714 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.760 3.026 1.534 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.821 1.236 0.720 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.035 2.543 0.473 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.668 1.445 -0.038 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.654 0.165 0.402 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.326 0.626 -1.105 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.311 -0.653 -0.651 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.157 -0.417 -1.398 1.00 0.10 C ATOM 0 H TRP A 80 7.793 1.539 3.928 1.00 0.10 H new ATOM 0 HA TRP A 80 5.133 2.338 4.716 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.043 3.512 2.927 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.884 2.112 2.291 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.493 3.884 2.133 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.163 2.940 0.122 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.553 -0.020 0.972 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.433 0.808 -1.684 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.945 -1.490 -0.902 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.916 -1.071 -2.223 1.00 0.10 H new ATOM 836 N VAL A 81 5.720 -0.641 3.600 1.00 0.10 N ATOM 837 CA VAL A 81 5.186 -1.975 3.416 1.00 0.11 C ATOM 838 C VAL A 81 4.427 -2.398 4.664 1.00 0.11 C ATOM 839 O VAL A 81 3.235 -2.698 4.618 1.00 0.11 O ATOM 840 CB VAL A 81 6.336 -2.972 3.110 1.00 0.13 C ATOM 841 CG1 VAL A 81 6.009 -4.386 3.552 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.674 -2.959 1.629 1.00 0.14 C ATOM 0 H VAL A 81 6.736 -0.591 3.519 1.00 0.10 H new ATOM 0 HA VAL A 81 4.498 -1.976 2.570 1.00 0.11 H new ATOM 0 HB VAL A 81 7.201 -2.640 3.684 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.845 -5.044 3.315 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.830 -4.399 4.627 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.116 -4.733 3.031 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.482 -3.664 1.434 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.795 -3.246 1.053 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.988 -1.957 1.336 1.00 0.14 H new ATOM 852 N MET A 82 5.115 -2.395 5.785 1.00 0.11 N ATOM 853 CA MET A 82 4.474 -2.726 7.040 1.00 0.12 C ATOM 854 C MET A 82 3.519 -1.642 7.513 1.00 0.11 C ATOM 855 O MET A 82 2.738 -1.902 8.402 1.00 0.12 O ATOM 856 CB MET A 82 5.476 -3.039 8.140 1.00 0.15 C ATOM 857 CG MET A 82 6.448 -1.912 8.431 1.00 0.13 C ATOM 858 SD MET A 82 7.217 -2.071 10.054 1.00 0.49 S ATOM 859 CE MET A 82 7.530 -3.832 10.091 1.00 0.42 C ATOM 0 H MET A 82 6.107 -2.170 5.854 1.00 0.11 H new ATOM 0 HA MET A 82 3.895 -3.626 6.835 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.933 -3.281 9.054 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.041 -3.928 7.860 1.00 0.15 H new ATOM 0 HG2 MET A 82 7.223 -1.897 7.665 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.923 -0.959 8.372 1.00 0.13 H new ATOM 0 HE1 MET A 82 8.245 -4.058 10.882 1.00 0.42 H new ATOM 0 HE2 MET A 82 6.598 -4.363 10.282 1.00 0.42 H new ATOM 0 HE3 MET A 82 7.939 -4.149 9.132 1.00 0.42 H new ATOM 869 N TRP A 83 3.572 -0.427 6.973 1.00 0.09 N ATOM 870 CA TRP A 83 2.655 0.598 7.458 1.00 0.09 C ATOM 871 C TRP A 83 1.214 0.291 7.062 1.00 0.09 C ATOM 872 O TRP A 83 0.353 0.159 7.929 1.00 0.11 O ATOM 873 CB TRP A 83 3.036 2.004 6.987 1.00 0.09 C ATOM 874 CG TRP A 83 2.036 3.023 7.422 1.00 0.10 C ATOM 875 CD1 TRP A 83 1.971 3.643 8.632 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.941 3.519 6.652 1.00 0.11 C ATOM 877 NE1 TRP A 83 0.903 4.504 8.657 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.258 4.446 7.453 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.479 3.272 5.359 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.866 5.125 6.999 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.633 3.947 4.911 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.293 4.864 5.727 1.00 0.15 C ATOM 0 H TRP A 83 4.210 -0.137 6.232 1.00 0.09 H new ATOM 0 HA TRP A 83 2.736 0.581 8.545 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.018 2.266 7.382 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.116 2.014 5.900 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.657 3.481 9.450 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.634 5.092 9.446 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.986 2.563 4.721 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.384 5.834 7.629 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.000 3.764 3.912 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.162 5.380 5.346 1.00 0.15 H new ATOM 893 N ALA A 84 0.936 0.172 5.771 1.00 0.09 N ATOM 894 CA ALA A 84 -0.425 -0.141 5.348 1.00 0.10 C ATOM 895 C ALA A 84 -0.837 -1.464 5.975 1.00 0.10 C ATOM 896 O ALA A 84 -1.968 -1.646 6.419 1.00 0.12 O ATOM 897 CB ALA A 84 -0.536 -0.186 3.829 1.00 0.12 C ATOM 0 H ALA A 84 1.612 0.283 5.016 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.101 0.645 5.686 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.562 -0.421 3.546 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.259 0.783 3.415 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.133 -0.952 3.438 1.00 0.12 H new ATOM 903 N VAL A 85 0.133 -2.360 6.044 1.00 0.10 N ATOM 904 CA VAL A 85 -0.016 -3.636 6.713 1.00 0.11 C ATOM 905 C VAL A 85 -0.361 -3.488 8.205 1.00 0.13 C ATOM 906 O VAL A 85 -1.385 -3.999 8.652 1.00 0.14 O ATOM 907 CB VAL A 85 1.276 -4.473 6.524 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.465 -5.510 7.626 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.260 -5.151 5.166 1.00 0.14 C ATOM 0 H VAL A 85 1.055 -2.218 5.632 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.859 -4.154 6.256 1.00 0.11 H new ATOM 0 HB VAL A 85 2.119 -3.785 6.583 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.384 -6.069 7.446 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.529 -5.008 8.591 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.618 -6.196 7.629 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.171 -5.737 5.041 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.393 -5.809 5.098 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.204 -4.395 4.383 1.00 0.14 H new ATOM 919 N ASN A 86 0.475 -2.803 8.977 1.00 0.15 N ATOM 920 CA ASN A 86 0.298 -2.763 10.428 1.00 0.19 C ATOM 921 C ASN A 86 -0.872 -1.879 10.843 1.00 0.23 C ATOM 922 O ASN A 86 -1.440 -2.066 11.919 1.00 0.27 O ATOM 923 CB ASN A 86 1.585 -2.363 11.174 1.00 0.23 C ATOM 924 CG ASN A 86 1.800 -0.864 11.311 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.453 -0.120 10.288 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 2.303 -0.388 12.328 1.00 0.32 N flip ATOM 0 H ASN A 86 1.274 -2.273 8.630 1.00 0.15 H new ATOM 0 HA ASN A 86 0.061 -3.785 10.724 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.564 -2.806 12.170 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.440 -2.793 10.652 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.560 -0.999 13.104 1.00 0.32 H new ATOM 0 HD22 ASN A 86 2.463 0.617 12.395 1.00 0.32 H new ATOM 933 N GLU A 87 -1.253 -0.938 9.982 1.00 0.24 N ATOM 934 CA GLU A 87 -2.384 -0.072 10.269 1.00 0.31 C ATOM 935 C GLU A 87 -3.657 -0.872 10.040 1.00 0.28 C ATOM 936 O GLU A 87 -4.674 -0.684 10.708 1.00 0.35 O ATOM 937 CB GLU A 87 -2.363 1.167 9.368 1.00 0.38 C ATOM 938 CG GLU A 87 -3.174 2.333 9.914 1.00 1.23 C ATOM 939 CD GLU A 87 -2.483 3.042 11.069 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.038 2.358 12.015 1.00 2.15 O ATOM 941 OE2 GLU A 87 -2.400 4.288 11.053 1.00 1.08 O ATOM 0 H GLU A 87 -0.796 -0.760 9.088 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.334 0.274 11.302 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -1.330 1.487 9.229 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.748 0.897 8.385 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -3.358 3.048 9.113 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -4.146 1.969 10.246 1.00 1.23 H new ATOM 948 N PHE A 88 -3.565 -1.786 9.080 1.00 0.23 N ATOM 949 CA PHE A 88 -4.648 -2.693 8.743 1.00 0.23 C ATOM 950 C PHE A 88 -4.636 -3.945 9.610 1.00 0.25 C ATOM 951 O PHE A 88 -5.465 -4.838 9.425 1.00 0.30 O ATOM 952 CB PHE A 88 -4.516 -3.114 7.286 1.00 0.24 C ATOM 953 CG PHE A 88 -5.453 -2.397 6.366 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.790 -2.752 6.321 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.005 -1.378 5.550 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.665 -2.100 5.479 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.875 -0.722 4.705 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.207 -1.083 4.669 1.00 0.45 C ATOM 0 H PHE A 88 -2.728 -1.916 8.511 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.585 -2.164 8.917 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.492 -2.937 6.957 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -4.695 -4.186 7.209 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.152 -3.549 6.953 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -3.964 -1.092 5.574 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.706 -2.385 5.454 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.514 0.075 4.071 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.889 -0.570 4.007 1.00 0.45 H new ATOM 968 N SER A 89 -3.685 -4.002 10.547 1.00 0.27 N ATOM 969 CA SER A 89 -3.445 -5.181 11.370 1.00 0.34 C ATOM 970 C SER A 89 -3.296 -6.435 10.508 1.00 0.36 C ATOM 971 O SER A 89 -3.783 -7.505 10.866 1.00 0.48 O ATOM 972 CB SER A 89 -4.544 -5.365 12.440 1.00 0.45 C ATOM 973 OG SER A 89 -5.842 -5.485 11.874 1.00 1.07 O ATOM 0 H SER A 89 -3.058 -3.224 10.754 1.00 0.27 H new ATOM 0 HA SER A 89 -2.504 -5.023 11.897 1.00 0.34 H new ATOM 0 HB2 SER A 89 -4.326 -6.254 13.031 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.527 -4.516 13.123 1.00 0.45 H new ATOM 0 HG SER A 89 -5.765 -5.635 10.909 1.00 1.07 H new ATOM 979 N LEU A 90 -2.601 -6.302 9.375 1.00 0.31 N ATOM 980 CA LEU A 90 -2.363 -7.437 8.502 1.00 0.40 C ATOM 981 C LEU A 90 -1.300 -8.303 9.142 1.00 0.59 C ATOM 982 O LEU A 90 -1.447 -9.518 9.243 1.00 1.23 O ATOM 983 CB LEU A 90 -1.900 -6.941 7.126 1.00 0.33 C ATOM 984 CG LEU A 90 -2.788 -5.849 6.524 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.283 -5.436 5.159 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.234 -6.324 6.433 1.00 0.27 C ATOM 0 H LEU A 90 -2.199 -5.423 9.049 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.276 -8.016 8.363 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.882 -6.560 7.213 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.866 -7.787 6.439 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.748 -4.980 7.181 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -2.930 -4.659 4.751 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.267 -5.052 5.248 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.288 -6.299 4.493 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.850 -5.534 6.003 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.287 -7.210 5.801 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.601 -6.567 7.430 1.00 0.27 H new ATOM 998 N LYS A 91 -0.246 -7.621 9.594 1.00 0.24 N ATOM 999 CA LYS A 91 0.760 -8.161 10.510 1.00 0.39 C ATOM 1000 C LYS A 91 1.223 -9.583 10.175 1.00 0.26 C ATOM 1001 O LYS A 91 1.662 -10.319 11.060 1.00 0.39 O ATOM 1002 CB LYS A 91 0.205 -8.094 11.931 1.00 0.78 C ATOM 1003 CG LYS A 91 -0.223 -6.686 12.329 1.00 1.31 C ATOM 1004 CD LYS A 91 -1.002 -6.664 13.632 1.00 1.49 C ATOM 1005 CE LYS A 91 -0.153 -7.101 14.812 1.00 1.91 C ATOM 1006 NZ LYS A 91 1.015 -6.205 15.033 1.00 2.48 N ATOM 0 H LYS A 91 -0.064 -6.654 9.326 1.00 0.24 H new ATOM 0 HA LYS A 91 1.654 -7.546 10.407 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.649 -8.766 12.015 1.00 0.78 H new ATOM 0 HB3 LYS A 91 0.962 -8.451 12.630 1.00 0.78 H new ATOM 0 HG2 LYS A 91 0.660 -6.055 12.426 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.835 -6.257 11.536 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -1.380 -5.657 13.811 1.00 1.49 H new ATOM 0 HD3 LYS A 91 -1.869 -7.320 13.547 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.768 -7.120 15.712 1.00 1.91 H new ATOM 0 HE3 LYS A 91 0.200 -8.119 14.645 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 1.435 -6.405 15.963 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 1.724 -6.370 14.291 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.703 -5.213 15.000 1.00 2.48 H new ATOM 1020 N GLY A 92 1.149 -9.964 8.907 1.00 0.26 N ATOM 1021 CA GLY A 92 1.598 -11.272 8.492 1.00 0.31 C ATOM 1022 C GLY A 92 2.233 -11.198 7.126 1.00 0.31 C ATOM 1023 O GLY A 92 1.975 -12.027 6.251 1.00 0.47 O ATOM 0 H GLY A 92 0.782 -9.382 8.154 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.315 -11.664 9.213 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.756 -11.964 8.472 1.00 0.31 H new ATOM 1027 N VAL A 93 3.049 -10.173 6.949 1.00 0.21 N ATOM 1028 CA VAL A 93 3.747 -9.934 5.710 1.00 0.21 C ATOM 1029 C VAL A 93 5.151 -10.487 5.815 1.00 0.20 C ATOM 1030 O VAL A 93 5.851 -10.246 6.801 1.00 0.22 O ATOM 1031 CB VAL A 93 3.758 -8.420 5.375 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.146 -7.910 5.031 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.814 -8.150 4.226 1.00 0.23 C ATOM 0 H VAL A 93 3.243 -9.480 7.672 1.00 0.21 H new ATOM 0 HA VAL A 93 3.231 -10.443 4.896 1.00 0.21 H new ATOM 0 HB VAL A 93 3.431 -7.886 6.267 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.097 -6.845 4.805 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.813 -8.071 5.878 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.526 -8.448 4.163 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.822 -7.086 3.991 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.133 -8.717 3.352 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.805 -8.452 4.506 1.00 0.23 H new ATOM 1043 N ASP A 94 5.550 -11.265 4.827 1.00 0.21 N ATOM 1044 CA ASP A 94 6.896 -11.783 4.806 1.00 0.24 C ATOM 1045 C ASP A 94 7.812 -10.686 4.310 1.00 0.21 C ATOM 1046 O ASP A 94 7.865 -10.399 3.115 1.00 0.20 O ATOM 1047 CB ASP A 94 7.009 -13.017 3.916 1.00 0.32 C ATOM 1048 CG ASP A 94 8.290 -13.781 4.180 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.377 -13.246 3.892 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.212 -14.909 4.713 1.00 1.10 O ATOM 0 H ASP A 94 4.966 -11.547 4.039 1.00 0.21 H new ATOM 0 HA ASP A 94 7.180 -12.092 5.812 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.153 -13.670 4.088 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.974 -12.715 2.869 1.00 0.32 H new ATOM 1055 N PHE A 95 8.523 -10.070 5.236 1.00 0.23 N ATOM 1056 CA PHE A 95 9.312 -8.890 4.929 1.00 0.24 C ATOM 1057 C PHE A 95 10.472 -9.264 4.028 1.00 0.23 C ATOM 1058 O PHE A 95 11.089 -8.414 3.388 1.00 0.28 O ATOM 1059 CB PHE A 95 9.825 -8.237 6.213 1.00 0.29 C ATOM 1060 CG PHE A 95 8.730 -7.932 7.197 1.00 0.37 C ATOM 1061 CD1 PHE A 95 7.865 -6.872 6.985 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.576 -8.697 8.341 1.00 0.41 C ATOM 1063 CE1 PHE A 95 6.866 -6.580 7.894 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.581 -8.411 9.253 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.691 -7.382 9.003 1.00 0.61 C ATOM 0 H PHE A 95 8.571 -10.368 6.210 1.00 0.23 H new ATOM 0 HA PHE A 95 8.678 -8.171 4.410 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.554 -8.897 6.683 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.346 -7.314 5.961 1.00 0.29 H new ATOM 0 HD1 PHE A 95 7.972 -6.266 6.098 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.243 -9.527 8.521 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.224 -5.726 7.737 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.497 -8.990 10.161 1.00 0.52 H new ATOM 0 HZ PHE A 95 5.862 -7.207 9.673 1.00 0.61 H new ATOM 1075 N GLN A 96 10.750 -10.552 3.984 1.00 0.21 N ATOM 1076 CA GLN A 96 11.811 -11.077 3.151 1.00 0.24 C ATOM 1077 C GLN A 96 11.311 -11.259 1.727 1.00 0.21 C ATOM 1078 O GLN A 96 12.084 -11.173 0.773 1.00 0.25 O ATOM 1079 CB GLN A 96 12.315 -12.405 3.701 1.00 0.33 C ATOM 1080 CG GLN A 96 13.658 -12.826 3.138 1.00 1.06 C ATOM 1081 CD GLN A 96 14.738 -11.780 3.359 1.00 1.50 C ATOM 1082 OE1 GLN A 96 14.887 -10.868 2.410 1.00 2.08 O flip ATOM 1083 NE2 GLN A 96 15.434 -11.791 4.373 1.00 1.93 N flip ATOM 0 H GLN A 96 10.249 -11.260 4.522 1.00 0.21 H new ATOM 0 HA GLN A 96 12.637 -10.366 3.151 1.00 0.24 H new ATOM 0 HB2 GLN A 96 12.392 -12.333 4.786 1.00 0.33 H new ATOM 0 HB3 GLN A 96 11.580 -13.181 3.484 1.00 0.33 H new ATOM 0 HG2 GLN A 96 13.965 -13.763 3.602 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.556 -13.018 2.070 1.00 1.06 H new ATOM 0 HE21 GLN A 96 15.290 -12.509 5.083 1.00 1.93 H new ATOM 0 HE22 GLN A 96 16.155 -11.082 4.504 1.00 1.93 H new ATOM 1092 N LYS A 97 10.013 -11.511 1.582 1.00 0.18 N ATOM 1093 CA LYS A 97 9.406 -11.563 0.265 1.00 0.19 C ATOM 1094 C LYS A 97 9.252 -10.132 -0.213 1.00 0.17 C ATOM 1095 O LYS A 97 9.342 -9.834 -1.401 1.00 0.20 O ATOM 1096 CB LYS A 97 8.035 -12.261 0.304 1.00 0.23 C ATOM 1097 CG LYS A 97 7.691 -13.046 -0.961 1.00 0.26 C ATOM 1098 CD LYS A 97 7.581 -12.147 -2.183 1.00 0.25 C ATOM 1099 CE LYS A 97 7.195 -12.926 -3.430 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.180 -13.987 -3.766 1.00 1.43 N ATOM 0 H LYS A 97 9.370 -11.680 2.356 1.00 0.18 H new ATOM 0 HA LYS A 97 10.036 -12.140 -0.413 1.00 0.19 H new ATOM 0 HB2 LYS A 97 8.011 -12.940 1.156 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.263 -11.510 0.472 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.456 -13.803 -1.136 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.749 -13.574 -0.814 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.839 -11.371 -1.996 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.533 -11.644 -2.350 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.214 -13.379 -3.283 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.106 -12.238 -4.271 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 7.966 -14.374 -4.707 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.138 -13.583 -3.767 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.126 -14.748 -3.059 1.00 1.43 H new ATOM 1114 N PHE A 98 9.093 -9.243 0.757 1.00 0.16 N ATOM 1115 CA PHE A 98 8.959 -7.821 0.507 1.00 0.16 C ATOM 1116 C PHE A 98 10.331 -7.171 0.358 1.00 0.20 C ATOM 1117 O PHE A 98 10.518 -5.987 0.652 1.00 0.22 O ATOM 1118 CB PHE A 98 8.181 -7.162 1.638 1.00 0.15 C ATOM 1119 CG PHE A 98 6.703 -7.194 1.415 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.937 -8.272 1.824 1.00 0.13 C ATOM 1121 CD2 PHE A 98 6.078 -6.133 0.788 1.00 0.11 C ATOM 1122 CE1 PHE A 98 4.577 -8.288 1.605 1.00 0.13 C ATOM 1123 CE2 PHE A 98 4.721 -6.142 0.568 1.00 0.11 C ATOM 1124 CZ PHE A 98 3.968 -7.221 0.979 1.00 0.12 C ATOM 0 H PHE A 98 9.054 -9.493 1.745 1.00 0.16 H new ATOM 0 HA PHE A 98 8.411 -7.682 -0.425 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.414 -7.666 2.576 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.506 -6.127 1.743 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.410 -9.108 2.319 1.00 0.13 H new ATOM 0 HD2 PHE A 98 6.664 -5.285 0.466 1.00 0.11 H new ATOM 0 HE1 PHE A 98 3.988 -9.136 1.923 1.00 0.13 H new ATOM 0 HE2 PHE A 98 4.247 -5.307 0.075 1.00 0.11 H new ATOM 0 HZ PHE A 98 2.901 -7.231 0.811 1.00 0.12 H new ATOM 1134 N CYS A 99 11.293 -7.960 -0.092 1.00 0.26 N ATOM 1135 CA CYS A 99 12.643 -7.482 -0.289 1.00 0.31 C ATOM 1136 C CYS A 99 12.735 -6.670 -1.569 1.00 0.23 C ATOM 1137 O CYS A 99 13.174 -7.168 -2.607 1.00 0.27 O ATOM 1138 CB CYS A 99 13.603 -8.664 -0.363 1.00 0.45 C ATOM 1139 SG CYS A 99 15.349 -8.204 -0.434 1.00 1.20 S ATOM 0 H CYS A 99 11.157 -8.943 -0.328 1.00 0.26 H new ATOM 0 HA CYS A 99 12.915 -6.845 0.553 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.443 -9.302 0.506 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.360 -9.259 -1.244 1.00 0.45 H new ATOM 0 HG CYS A 99 16.079 -9.278 -0.492 1.00 1.20 H new ATOM 1145 N MET A 100 12.312 -5.424 -1.497 1.00 0.19 N ATOM 1146 CA MET A 100 12.453 -4.519 -2.615 1.00 0.16 C ATOM 1147 C MET A 100 13.163 -3.255 -2.198 1.00 0.17 C ATOM 1148 O MET A 100 12.936 -2.729 -1.108 1.00 0.20 O ATOM 1149 CB MET A 100 11.094 -4.121 -3.210 1.00 0.22 C ATOM 1150 CG MET A 100 10.393 -5.209 -4.002 1.00 0.22 C ATOM 1151 SD MET A 100 9.513 -6.381 -2.952 1.00 0.13 S ATOM 1152 CE MET A 100 8.370 -5.287 -2.108 1.00 0.18 C ATOM 0 H MET A 100 11.868 -5.017 -0.674 1.00 0.19 H new ATOM 0 HA MET A 100 13.034 -5.053 -3.367 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.439 -3.805 -2.399 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.238 -3.257 -3.859 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.689 -4.750 -4.696 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.128 -5.746 -4.602 1.00 0.22 H new ATOM 0 HE1 MET A 100 7.361 -5.693 -2.176 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.657 -5.200 -1.060 1.00 0.18 H new ATOM 0 HE3 MET A 100 8.397 -4.302 -2.575 1.00 0.18 H new ATOM 1162 N SER A 101 14.036 -2.788 -3.064 1.00 0.16 N ATOM 1163 CA SER A 101 14.423 -1.403 -3.054 1.00 0.18 C ATOM 1164 C SER A 101 13.326 -0.683 -3.815 1.00 0.14 C ATOM 1165 O SER A 101 12.525 -1.347 -4.450 1.00 0.15 O ATOM 1166 CB SER A 101 15.787 -1.216 -3.724 1.00 0.24 C ATOM 1167 OG SER A 101 15.805 -1.837 -4.997 1.00 1.26 O ATOM 0 H SER A 101 14.489 -3.352 -3.783 1.00 0.16 H new ATOM 0 HA SER A 101 14.531 -1.011 -2.043 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.004 -0.153 -3.829 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.569 -1.641 -3.095 1.00 0.24 H new ATOM 0 HG SER A 101 16.683 -1.707 -5.412 1.00 1.26 H new ATOM 1173 N GLY A 102 13.236 0.621 -3.736 1.00 0.13 N ATOM 1174 CA GLY A 102 12.167 1.318 -4.416 1.00 0.14 C ATOM 1175 C GLY A 102 12.074 0.981 -5.895 1.00 0.14 C ATOM 1176 O GLY A 102 10.980 0.778 -6.424 1.00 0.16 O ATOM 0 H GLY A 102 13.879 1.217 -3.216 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.220 1.074 -3.935 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.314 2.392 -4.304 1.00 0.14 H new ATOM 1180 N ALA A 103 13.213 0.915 -6.576 1.00 0.17 N ATOM 1181 CA ALA A 103 13.221 0.524 -7.977 1.00 0.21 C ATOM 1182 C ALA A 103 12.628 -0.869 -8.144 1.00 0.21 C ATOM 1183 O ALA A 103 11.886 -1.133 -9.089 1.00 0.25 O ATOM 1184 CB ALA A 103 14.635 0.571 -8.536 1.00 0.26 C ATOM 0 H ALA A 103 14.131 1.125 -6.185 1.00 0.17 H new ATOM 0 HA ALA A 103 12.607 1.230 -8.535 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.622 0.275 -9.585 1.00 0.26 H new ATOM 0 HB2 ALA A 103 15.027 1.584 -8.450 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.271 -0.113 -7.974 1.00 0.26 H new ATOM 1190 N ALA A 104 12.948 -1.745 -7.204 1.00 0.19 N ATOM 1191 CA ALA A 104 12.407 -3.092 -7.189 1.00 0.20 C ATOM 1192 C ALA A 104 10.925 -3.061 -6.832 1.00 0.16 C ATOM 1193 O ALA A 104 10.124 -3.790 -7.422 1.00 0.17 O ATOM 1194 CB ALA A 104 13.176 -3.954 -6.202 1.00 0.22 C ATOM 0 H ALA A 104 13.587 -1.542 -6.435 1.00 0.19 H new ATOM 0 HA ALA A 104 12.513 -3.526 -8.183 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.761 -4.962 -6.199 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.225 -3.994 -6.494 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.094 -3.525 -5.203 1.00 0.22 H new ATOM 1200 N LEU A 105 10.575 -2.231 -5.845 1.00 0.12 N ATOM 1201 CA LEU A 105 9.190 -1.988 -5.461 1.00 0.09 C ATOM 1202 C LEU A 105 8.318 -1.693 -6.662 1.00 0.12 C ATOM 1203 O LEU A 105 7.184 -2.118 -6.751 1.00 0.13 O ATOM 1204 CB LEU A 105 9.120 -0.796 -4.501 1.00 0.09 C ATOM 1205 CG LEU A 105 7.734 -0.535 -3.942 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.271 -1.714 -3.108 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.714 0.732 -3.125 1.00 0.14 C ATOM 0 H LEU A 105 11.252 -1.708 -5.290 1.00 0.12 H new ATOM 0 HA LEU A 105 8.822 -2.893 -4.978 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.808 -0.968 -3.673 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.465 0.097 -5.022 1.00 0.09 H new ATOM 0 HG LEU A 105 7.046 -0.409 -4.778 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.275 -1.512 -2.714 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.241 -2.609 -3.729 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.964 -1.869 -2.281 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.710 0.898 -2.735 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.415 0.641 -2.295 1.00 0.14 H new ATOM 0 HD23 LEU A 105 8.003 1.575 -3.753 1.00 0.14 H new ATOM 1219 N CYS A 106 8.837 -0.880 -7.526 1.00 0.21 N ATOM 1220 CA CYS A 106 8.200 -0.605 -8.792 1.00 0.31 C ATOM 1221 C CYS A 106 8.253 -1.802 -9.740 1.00 0.34 C ATOM 1222 O CYS A 106 7.217 -2.258 -10.233 1.00 0.40 O ATOM 1223 CB CYS A 106 8.883 0.588 -9.429 1.00 0.39 C ATOM 1224 SG CYS A 106 8.266 1.013 -11.074 1.00 0.74 S ATOM 0 H CYS A 106 9.716 -0.383 -7.381 1.00 0.21 H new ATOM 0 HA CYS A 106 7.147 -0.393 -8.606 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.763 1.452 -8.775 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.952 0.386 -9.497 1.00 0.39 H new ATOM 0 HG CYS A 106 8.913 2.045 -11.527 1.00 0.74 H new ATOM 1230 N ALA A 107 9.464 -2.297 -9.995 1.00 0.33 N ATOM 1231 CA ALA A 107 9.705 -3.349 -10.986 1.00 0.41 C ATOM 1232 C ALA A 107 8.834 -4.591 -10.810 1.00 0.38 C ATOM 1233 O ALA A 107 8.600 -5.314 -11.780 1.00 0.46 O ATOM 1234 CB ALA A 107 11.170 -3.742 -10.965 1.00 0.47 C ATOM 0 H ALA A 107 10.309 -1.980 -9.519 1.00 0.33 H new ATOM 0 HA ALA A 107 9.428 -2.924 -11.951 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.347 -4.525 -11.703 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.783 -2.873 -11.203 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.433 -4.111 -9.974 1.00 0.47 H new ATOM 1240 N LEU A 108 8.372 -4.872 -9.595 1.00 0.29 N ATOM 1241 CA LEU A 108 7.497 -6.021 -9.388 1.00 0.26 C ATOM 1242 C LEU A 108 6.207 -5.898 -10.200 1.00 0.26 C ATOM 1243 O LEU A 108 5.751 -6.864 -10.811 1.00 0.28 O ATOM 1244 CB LEU A 108 7.194 -6.254 -7.891 1.00 0.21 C ATOM 1245 CG LEU A 108 6.950 -5.017 -7.011 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.600 -4.353 -7.294 1.00 0.21 C ATOM 1247 CD2 LEU A 108 7.058 -5.412 -5.548 1.00 0.19 C ATOM 0 H LEU A 108 8.583 -4.333 -8.755 1.00 0.29 H new ATOM 0 HA LEU A 108 8.035 -6.897 -9.750 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.314 -6.893 -7.822 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.027 -6.811 -7.463 1.00 0.21 H new ATOM 0 HG LEU A 108 7.714 -4.278 -7.252 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.478 -3.485 -6.646 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.562 -4.036 -8.336 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.797 -5.065 -7.102 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.886 -4.537 -4.921 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.312 -6.174 -5.321 1.00 0.19 H new ATOM 0 HD23 LEU A 108 8.054 -5.809 -5.351 1.00 0.19 H new ATOM 1259 N GLY A 109 5.645 -4.704 -10.236 1.00 0.27 N ATOM 1260 CA GLY A 109 4.380 -4.507 -10.901 1.00 0.32 C ATOM 1261 C GLY A 109 3.230 -5.104 -10.116 1.00 0.27 C ATOM 1262 O GLY A 109 3.442 -5.784 -9.109 1.00 0.23 O ATOM 0 H GLY A 109 6.044 -3.865 -9.815 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.207 -3.440 -11.044 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.417 -4.959 -11.892 1.00 0.32 H new ATOM 1266 N LYS A 110 2.018 -4.828 -10.575 1.00 0.33 N ATOM 1267 CA LYS A 110 0.807 -5.359 -9.956 1.00 0.36 C ATOM 1268 C LYS A 110 0.956 -6.851 -9.681 1.00 0.26 C ATOM 1269 O LYS A 110 0.893 -7.300 -8.535 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.380 -5.157 -10.913 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.757 -5.054 -10.262 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.104 -6.226 -9.347 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.049 -7.600 -10.025 1.00 0.39 C ATOM 1274 NZ LYS A 110 -2.854 -7.665 -11.274 1.00 0.67 N ATOM 0 H LYS A 110 1.844 -4.232 -11.384 1.00 0.33 H new ATOM 0 HA LYS A 110 0.638 -4.834 -9.016 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -0.205 -4.249 -11.490 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.396 -5.986 -11.620 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -1.806 -4.130 -9.686 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -2.512 -4.982 -11.045 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.418 -6.225 -8.500 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.106 -6.073 -8.946 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.012 -7.844 -10.255 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.408 -8.357 -9.328 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.190 -8.638 -11.420 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -3.670 -7.025 -11.195 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -2.266 -7.377 -12.082 1.00 0.67 H new ATOM 1288 N GLU A 111 1.146 -7.598 -10.759 1.00 0.25 N ATOM 1289 CA GLU A 111 1.146 -9.057 -10.737 1.00 0.31 C ATOM 1290 C GLU A 111 2.084 -9.622 -9.682 1.00 0.27 C ATOM 1291 O GLU A 111 1.726 -10.543 -8.955 1.00 0.39 O ATOM 1292 CB GLU A 111 1.520 -9.606 -12.121 1.00 0.48 C ATOM 1293 CG GLU A 111 0.443 -9.415 -13.189 1.00 1.39 C ATOM 1294 CD GLU A 111 0.025 -7.966 -13.369 1.00 1.95 C ATOM 1295 OE1 GLU A 111 0.914 -7.091 -13.463 1.00 2.54 O ATOM 1296 OE2 GLU A 111 -1.192 -7.699 -13.434 1.00 2.46 O ATOM 0 H GLU A 111 1.307 -7.205 -11.686 1.00 0.25 H new ATOM 0 HA GLU A 111 0.137 -9.375 -10.476 1.00 0.31 H new ATOM 0 HB2 GLU A 111 2.436 -9.120 -12.456 1.00 0.48 H new ATOM 0 HB3 GLU A 111 1.739 -10.670 -12.029 1.00 0.48 H new ATOM 0 HG2 GLU A 111 0.812 -9.800 -14.140 1.00 1.39 H new ATOM 0 HG3 GLU A 111 -0.432 -10.008 -12.923 1.00 1.39 H new ATOM 1303 N CYS A 112 3.275 -9.069 -9.591 1.00 0.21 N ATOM 1304 CA CYS A 112 4.254 -9.589 -8.661 1.00 0.18 C ATOM 1305 C CYS A 112 3.909 -9.182 -7.238 1.00 0.15 C ATOM 1306 O CYS A 112 3.881 -10.028 -6.357 1.00 0.17 O ATOM 1307 CB CYS A 112 5.663 -9.137 -9.029 1.00 0.21 C ATOM 1308 SG CYS A 112 6.976 -9.916 -8.061 1.00 1.36 S ATOM 0 H CYS A 112 3.586 -8.269 -10.142 1.00 0.21 H new ATOM 0 HA CYS A 112 4.230 -10.677 -8.723 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.834 -9.346 -10.085 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.729 -8.056 -8.904 1.00 0.21 H new ATOM 0 HG CYS A 112 8.130 -9.465 -8.454 1.00 1.36 H new ATOM 1314 N PHE A 113 3.634 -7.893 -7.018 1.00 0.13 N ATOM 1315 CA PHE A 113 3.327 -7.394 -5.678 1.00 0.12 C ATOM 1316 C PHE A 113 2.183 -8.174 -5.025 1.00 0.13 C ATOM 1317 O PHE A 113 2.267 -8.568 -3.863 1.00 0.14 O ATOM 1318 CB PHE A 113 2.979 -5.897 -5.708 1.00 0.12 C ATOM 1319 CG PHE A 113 3.252 -5.218 -4.397 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.479 -5.512 -3.294 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.310 -4.324 -4.251 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.738 -4.936 -2.074 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.577 -3.753 -3.028 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.791 -4.059 -1.939 1.00 0.10 C ATOM 0 H PHE A 113 3.618 -7.181 -7.748 1.00 0.13 H new ATOM 0 HA PHE A 113 4.226 -7.539 -5.079 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.556 -5.409 -6.494 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.926 -5.777 -5.964 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.657 -6.206 -3.391 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.925 -4.077 -5.104 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.117 -5.171 -1.222 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.403 -3.065 -2.922 1.00 0.13 H new ATOM 0 HZ PHE A 113 4.001 -3.611 -0.979 1.00 0.10 H new ATOM 1334 N LEU A 114 1.104 -8.394 -5.746 1.00 0.14 N ATOM 1335 CA LEU A 114 -0.038 -9.055 -5.150 1.00 0.17 C ATOM 1336 C LEU A 114 0.169 -10.555 -5.053 1.00 0.22 C ATOM 1337 O LEU A 114 -0.534 -11.241 -4.318 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.326 -8.719 -5.863 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.792 -7.292 -5.613 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -0.752 -6.287 -6.051 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -3.112 -7.031 -6.298 1.00 0.50 C ATOM 0 H LEU A 114 0.993 -8.131 -6.725 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.128 -8.671 -4.134 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.191 -8.868 -6.934 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.104 -9.411 -5.540 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.934 -7.174 -4.539 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -1.117 -5.278 -5.858 1.00 0.54 H new ATOM 0 HD12 LEU A 114 0.170 -6.452 -5.494 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -0.558 -6.405 -7.117 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -3.425 -6.005 -6.105 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -3.001 -7.181 -7.372 1.00 0.50 H new ATOM 0 HD23 LEU A 114 -3.864 -7.719 -5.912 1.00 0.50 H new ATOM 1353 N GLU A 115 1.109 -11.064 -5.827 1.00 0.22 N ATOM 1354 CA GLU A 115 1.580 -12.422 -5.631 1.00 0.28 C ATOM 1355 C GLU A 115 2.618 -12.457 -4.511 1.00 0.27 C ATOM 1356 O GLU A 115 2.979 -13.515 -3.995 1.00 0.37 O ATOM 1357 CB GLU A 115 2.193 -12.974 -6.910 1.00 0.37 C ATOM 1358 CG GLU A 115 1.165 -13.402 -7.937 1.00 0.48 C ATOM 1359 CD GLU A 115 0.376 -14.615 -7.495 1.00 1.33 C ATOM 1360 OE1 GLU A 115 0.997 -15.651 -7.179 1.00 2.21 O ATOM 1361 OE2 GLU A 115 -0.870 -14.537 -7.460 1.00 1.81 O ATOM 0 H GLU A 115 1.559 -10.562 -6.592 1.00 0.22 H new ATOM 0 HA GLU A 115 0.726 -13.042 -5.358 1.00 0.28 H new ATOM 0 HB2 GLU A 115 2.840 -12.216 -7.350 1.00 0.37 H new ATOM 0 HB3 GLU A 115 2.824 -13.827 -6.662 1.00 0.37 H new ATOM 0 HG2 GLU A 115 0.480 -12.576 -8.127 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.667 -13.622 -8.879 1.00 0.48 H new ATOM 1368 N LEU A 116 3.072 -11.271 -4.143 1.00 0.20 N ATOM 1369 CA LEU A 116 4.152 -11.081 -3.188 1.00 0.19 C ATOM 1370 C LEU A 116 3.612 -11.014 -1.761 1.00 0.22 C ATOM 1371 O LEU A 116 4.314 -11.327 -0.800 1.00 0.26 O ATOM 1372 CB LEU A 116 4.909 -9.810 -3.594 1.00 0.15 C ATOM 1373 CG LEU A 116 5.557 -8.991 -2.488 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.932 -8.526 -2.924 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.693 -7.795 -2.167 1.00 0.16 C ATOM 0 H LEU A 116 2.693 -10.396 -4.506 1.00 0.20 H new ATOM 0 HA LEU A 116 4.839 -11.927 -3.203 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.688 -10.095 -4.301 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.214 -9.162 -4.129 1.00 0.15 H new ATOM 0 HG LEU A 116 5.658 -9.613 -1.598 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.388 -7.940 -2.126 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.557 -9.392 -3.141 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.841 -7.910 -3.819 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.160 -7.211 -1.374 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.583 -7.176 -3.057 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.711 -8.134 -1.837 1.00 0.16 H new ATOM 1387 N ALA A 117 2.359 -10.614 -1.641 1.00 0.21 N ATOM 1388 CA ALA A 117 1.646 -10.652 -0.371 1.00 0.22 C ATOM 1389 C ALA A 117 0.296 -11.325 -0.596 1.00 0.23 C ATOM 1390 O ALA A 117 0.021 -11.761 -1.711 1.00 0.26 O ATOM 1391 CB ALA A 117 1.460 -9.241 0.188 1.00 0.22 C ATOM 0 H ALA A 117 1.805 -10.254 -2.418 1.00 0.21 H new ATOM 0 HA ALA A 117 2.224 -11.219 0.359 1.00 0.22 H new ATOM 0 HB1 ALA A 117 0.925 -9.293 1.136 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.435 -8.781 0.346 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.886 -8.642 -0.519 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.553 -11.473 0.435 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.954 -11.828 0.217 1.00 0.25 C ATOM 1399 C PRO A 118 -2.589 -10.884 -0.799 1.00 0.22 C ATOM 1400 O PRO A 118 -2.298 -9.692 -0.805 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.588 -11.622 1.585 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.476 -11.838 2.555 1.00 0.32 C ATOM 1403 CD PRO A 118 -0.222 -11.367 1.868 1.00 0.29 C ATOM 0 HA PRO A 118 -2.081 -12.839 -0.170 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -3.007 -10.620 1.680 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.403 -12.326 1.754 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.649 -11.280 3.475 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.398 -12.890 2.830 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.028 -10.344 2.147 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.636 -11.987 2.129 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.438 -11.430 -1.657 1.00 0.28 N ATOM 1412 CA ASP A 119 -4.019 -10.692 -2.787 1.00 0.32 C ATOM 1413 C ASP A 119 -4.706 -9.385 -2.382 1.00 0.31 C ATOM 1414 O ASP A 119 -4.838 -8.486 -3.210 1.00 0.41 O ATOM 1415 CB ASP A 119 -5.007 -11.569 -3.564 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.209 -11.988 -2.738 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -7.130 -11.163 -2.565 1.00 1.26 O ATOM 1418 OD2 ASP A 119 -6.243 -13.142 -2.256 1.00 0.95 O ATOM 0 H ASP A 119 -3.749 -12.399 -1.596 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.175 -10.425 -3.424 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -5.350 -11.026 -4.445 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.490 -12.460 -3.920 1.00 0.41 H new ATOM 1423 N PHE A 120 -5.134 -9.260 -1.128 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.783 -8.035 -0.682 1.00 0.32 C ATOM 1425 C PHE A 120 -4.725 -7.085 -0.169 1.00 0.22 C ATOM 1426 O PHE A 120 -4.778 -5.887 -0.397 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.831 -8.326 0.399 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.592 -7.118 0.873 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -8.105 -6.200 -0.028 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.807 -6.916 2.227 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.812 -5.101 0.417 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.512 -5.816 2.675 1.00 1.97 C ATOM 1433 CZ PHE A 120 -9.016 -4.908 1.768 1.00 1.86 C ATOM 0 H PHE A 120 -5.044 -9.982 -0.413 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.308 -7.578 -1.521 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.540 -9.057 0.012 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.335 -8.785 1.254 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.951 -6.345 -1.087 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.419 -7.627 2.941 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -9.207 -4.390 -0.294 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.668 -5.667 3.733 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.569 -4.048 2.114 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.742 -7.663 0.485 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.667 -6.927 1.114 1.00 0.17 C ATOM 1445 C VAL A 121 -1.678 -6.418 0.086 1.00 0.15 C ATOM 1446 O VAL A 121 -1.188 -5.295 0.191 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.965 -7.830 2.124 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.792 -7.122 2.779 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.991 -8.287 3.139 1.00 0.22 C ATOM 0 H VAL A 121 -3.666 -8.674 0.597 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.086 -6.061 1.626 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.545 -8.699 1.618 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.314 -7.793 3.493 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.070 -6.831 2.016 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.148 -6.233 3.299 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.513 -8.935 3.873 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.416 -7.419 3.643 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.784 -8.836 2.632 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.381 -7.251 -0.900 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.564 -6.819 -1.999 1.00 0.19 C ATOM 1461 C GLY A 122 -1.195 -5.645 -2.701 1.00 0.16 C ATOM 1462 O GLY A 122 -0.508 -4.716 -3.064 1.00 0.14 O ATOM 0 H GLY A 122 -1.695 -8.220 -0.953 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.426 -6.543 -1.636 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.428 -7.640 -2.703 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.517 -5.685 -2.859 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.254 -4.605 -3.503 1.00 0.19 C ATOM 1468 C ASP A 123 -3.399 -3.423 -2.554 1.00 0.13 C ATOM 1469 O ASP A 123 -3.375 -2.278 -2.976 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.630 -5.097 -3.944 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.403 -4.061 -4.734 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -4.910 -3.627 -5.797 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.515 -3.693 -4.309 1.00 1.07 O ATOM 0 H ASP A 123 -3.101 -6.461 -2.546 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.698 -4.280 -4.382 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.512 -5.995 -4.551 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.208 -5.381 -3.064 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.584 -3.719 -1.275 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.542 -2.709 -0.223 1.00 0.10 C ATOM 1480 C ILE A 124 -2.254 -1.904 -0.312 1.00 0.09 C ATOM 1481 O ILE A 124 -2.270 -0.687 -0.519 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.679 -3.358 1.183 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.152 -3.577 1.518 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.017 -2.507 2.263 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.371 -4.356 2.796 1.00 0.22 C ATOM 0 H ILE A 124 -3.767 -4.664 -0.936 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.387 -2.036 -0.368 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.167 -4.320 1.157 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.645 -2.609 1.603 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.629 -4.106 0.693 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.134 -2.993 3.232 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -1.956 -2.395 2.039 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.488 -1.524 2.291 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.440 -4.474 2.972 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.907 -5.338 2.707 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -4.923 -3.818 3.631 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.145 -2.588 -0.164 1.00 0.08 N ATOM 1498 CA LEU A 125 0.142 -1.968 -0.314 1.00 0.08 C ATOM 1499 C LEU A 125 0.320 -1.413 -1.719 1.00 0.09 C ATOM 1500 O LEU A 125 0.813 -0.309 -1.881 1.00 0.10 O ATOM 1501 CB LEU A 125 1.225 -2.969 0.049 1.00 0.08 C ATOM 1502 CG LEU A 125 1.584 -2.973 1.524 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.435 -4.178 1.864 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.316 -1.691 1.866 1.00 0.09 C ATOM 0 H LEU A 125 -1.112 -3.582 0.062 1.00 0.08 H new ATOM 0 HA LEU A 125 0.219 -1.119 0.365 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.895 -3.967 -0.238 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.120 -2.749 -0.533 1.00 0.08 H new ATOM 0 HG LEU A 125 0.669 -3.033 2.114 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.681 -4.162 2.926 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.884 -5.090 1.633 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.354 -4.152 1.278 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.575 -1.691 2.925 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.226 -1.621 1.270 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.674 -0.837 1.650 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.138 -2.145 -2.727 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.032 -1.688 -4.110 1.00 0.10 C ATOM 1518 C TRP A 126 -0.813 -0.390 -4.320 1.00 0.11 C ATOM 1519 O TRP A 126 -0.383 0.476 -5.076 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.509 -2.762 -5.095 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.531 -2.277 -6.502 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.634 -1.996 -7.240 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.601 -1.992 -7.325 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.258 -1.524 -8.477 1.00 0.25 N ATOM 1525 CE2 TRP A 126 0.112 -1.518 -8.552 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.982 -2.084 -7.139 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.959 -1.135 -9.589 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.820 -1.706 -8.170 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.307 -1.233 -9.380 1.00 0.25 C ATOM 0 H TRP A 126 -0.585 -3.055 -2.615 1.00 0.09 H new ATOM 0 HA TRP A 126 1.022 -1.494 -4.307 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.145 -3.631 -5.024 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.509 -3.091 -4.812 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.653 -2.123 -6.907 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -1.894 -1.227 -9.217 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.388 -2.444 -6.205 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.565 -0.773 -10.527 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.890 -1.777 -8.038 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.988 -0.939 -10.165 1.00 0.25 H new ATOM 1540 N GLU A 127 -1.958 -0.253 -3.659 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.702 0.995 -3.700 1.00 0.12 C ATOM 1542 C GLU A 127 -1.850 2.121 -3.186 1.00 0.12 C ATOM 1543 O GLU A 127 -1.593 3.066 -3.901 1.00 0.14 O ATOM 1544 CB GLU A 127 -3.993 0.931 -2.889 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.238 0.808 -3.745 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.525 2.031 -4.589 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.714 2.358 -5.473 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.582 2.663 -4.375 1.00 1.43 O ATOM 0 H GLU A 127 -2.386 -0.986 -3.094 1.00 0.11 H new ATOM 0 HA GLU A 127 -2.971 1.170 -4.742 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -3.944 0.081 -2.209 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.071 1.827 -2.274 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.133 -0.057 -4.400 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.094 0.616 -3.098 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.394 2.025 -1.947 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.543 3.076 -1.414 1.00 0.11 C ATOM 1557 C HIS A 128 0.708 3.210 -2.260 1.00 0.10 C ATOM 1558 O HIS A 128 1.222 4.304 -2.398 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.179 2.852 0.056 1.00 0.11 C ATOM 1560 CG HIS A 128 0.332 4.102 0.726 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.737 4.146 2.043 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.483 5.366 0.251 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.111 5.379 2.348 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.968 6.135 1.279 1.00 0.15 N ATOM 0 H HIS A 128 -1.591 1.255 -1.308 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.111 4.005 -1.456 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.056 2.490 0.592 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.580 2.072 0.123 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.262 5.703 -0.751 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.472 5.709 3.311 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.183 7.131 1.224 1.00 0.15 H new ATOM 1573 N LEU A 129 1.182 2.115 -2.834 1.00 0.10 N ATOM 1574 CA LEU A 129 2.277 2.164 -3.781 1.00 0.12 C ATOM 1575 C LEU A 129 1.912 3.103 -4.915 1.00 0.15 C ATOM 1576 O LEU A 129 2.685 3.993 -5.281 1.00 0.18 O ATOM 1577 CB LEU A 129 2.566 0.746 -4.298 1.00 0.11 C ATOM 1578 CG LEU A 129 3.759 0.590 -5.240 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.818 1.616 -4.922 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.354 -0.796 -5.097 1.00 0.13 C ATOM 0 H LEU A 129 0.821 1.178 -2.657 1.00 0.10 H new ATOM 0 HA LEU A 129 3.180 2.541 -3.301 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.724 0.096 -3.438 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.676 0.383 -4.813 1.00 0.11 H new ATOM 0 HG LEU A 129 3.411 0.737 -6.262 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.661 1.492 -5.602 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.402 2.617 -5.039 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.157 1.482 -3.895 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.204 -0.899 -5.772 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.687 -0.945 -4.070 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.600 -1.543 -5.346 1.00 0.13 H new ATOM 1592 N GLU A 130 0.710 2.924 -5.431 1.00 0.17 N ATOM 1593 CA GLU A 130 0.204 3.773 -6.478 1.00 0.23 C ATOM 1594 C GLU A 130 -0.006 5.187 -5.945 1.00 0.25 C ATOM 1595 O GLU A 130 0.344 6.165 -6.584 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.100 3.188 -7.048 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.475 3.690 -8.440 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.070 5.087 -8.449 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.214 5.253 -7.979 1.00 1.73 O ATOM 1600 OE2 GLU A 130 -1.415 6.018 -8.964 1.00 1.80 O ATOM 0 H GLU A 130 0.066 2.190 -5.135 1.00 0.17 H new ATOM 0 HA GLU A 130 0.931 3.822 -7.288 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -1.010 2.102 -7.081 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.915 3.419 -6.362 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.586 3.680 -9.071 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -2.190 2.998 -8.885 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.555 5.272 -4.755 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.785 6.539 -4.081 1.00 0.21 C ATOM 1609 C ILE A 131 0.532 7.324 -3.876 1.00 0.22 C ATOM 1610 O ILE A 131 0.575 8.534 -4.065 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.507 6.290 -2.732 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.034 6.187 -2.919 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.206 7.385 -1.716 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.501 5.196 -3.966 1.00 0.23 C ATOM 0 H ILE A 131 -0.859 4.459 -4.219 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.424 7.155 -4.714 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.125 5.342 -2.353 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.481 5.916 -1.963 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.417 7.173 -3.182 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.731 7.172 -0.785 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.133 7.421 -1.527 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.538 8.346 -2.108 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.590 5.204 -4.015 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.092 5.473 -4.938 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.157 4.196 -3.700 1.00 0.23 H new ATOM 1626 N LEU A 132 1.605 6.633 -3.507 1.00 0.18 N ATOM 1627 CA LEU A 132 2.907 7.287 -3.338 1.00 0.20 C ATOM 1628 C LEU A 132 3.378 7.884 -4.652 1.00 0.25 C ATOM 1629 O LEU A 132 3.987 8.948 -4.687 1.00 0.29 O ATOM 1630 CB LEU A 132 3.976 6.314 -2.870 1.00 0.21 C ATOM 1631 CG LEU A 132 3.641 5.495 -1.642 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.215 4.117 -1.834 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.194 6.131 -0.372 1.00 0.25 C ATOM 0 H LEU A 132 1.605 5.630 -3.320 1.00 0.18 H new ATOM 0 HA LEU A 132 2.766 8.063 -2.585 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.198 5.629 -3.688 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.887 6.877 -2.669 1.00 0.21 H new ATOM 0 HG LEU A 132 2.559 5.447 -1.524 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.988 3.504 -0.962 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.777 3.661 -2.722 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.296 4.187 -1.957 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.933 5.514 0.488 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.279 6.209 -0.447 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.767 7.126 -0.247 1.00 0.25 H new ATOM 1645 N GLN A 133 3.099 7.185 -5.737 1.00 0.28 N ATOM 1646 CA GLN A 133 3.523 7.652 -7.040 1.00 0.38 C ATOM 1647 C GLN A 133 2.511 8.667 -7.560 1.00 0.37 C ATOM 1648 O GLN A 133 2.841 9.529 -8.376 1.00 0.47 O ATOM 1649 CB GLN A 133 3.725 6.478 -8.012 1.00 0.58 C ATOM 1650 CG GLN A 133 2.451 5.908 -8.607 1.00 0.79 C ATOM 1651 CD GLN A 133 2.524 4.408 -8.834 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.198 3.701 -7.936 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 1.950 3.886 -9.786 1.00 0.31 N flip ATOM 0 H GLN A 133 2.587 6.303 -5.741 1.00 0.28 H new ATOM 0 HA GLN A 133 4.491 8.145 -6.954 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.372 6.807 -8.825 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.252 5.680 -7.489 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.615 6.130 -7.943 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.245 6.404 -9.555 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.442 4.465 -10.455 1.00 0.31 H new ATOM 0 HE22 GLN A 133 1.981 2.874 -9.908 1.00 0.31 H new