USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 68 THR OG1 : rot -59:sc= 0.161 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.092 X(o=0.069,f=0.038) USER MOD Single : A 28 MET CE :methyl 161:sc= -0.0507 (180deg=-0.629) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 32 MET CE :methyl -172:sc= -1.46 (180deg=-1.63!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 150:sc= -0.138 USER MOD Single : A 41 SER OG : rot 139:sc= -0.876 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 49 THR OG1 : rot 177:sc= -0.515 USER MOD Single : A 53 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.65) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.22) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 69 MET CE :methyl 138:sc= -1.31 (180deg=-2.85) USER MOD Single : A 75 ASN : amide:sc= -2.24 K(o=-2.2,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 288 N PHE A 23 2.576 2.338 -1.787 1.00 0.00 N ATOM 289 CA PHE A 23 2.513 2.622 -0.359 1.00 0.00 C ATOM 290 C PHE A 23 1.207 3.324 -0.002 1.00 0.00 C ATOM 291 O PHE A 23 0.661 3.125 1.083 1.00 0.00 O ATOM 292 CB PHE A 23 3.701 3.489 0.063 1.00 0.00 C ATOM 293 CG PHE A 23 5.025 2.783 -0.022 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.161 1.479 0.429 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.133 3.423 -0.553 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.377 0.829 0.353 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.352 2.777 -0.631 1.00 0.00 C ATOM 298 CZ PHE A 23 7.475 1.479 -0.179 1.00 0.00 C ATOM 0 HA PHE A 23 2.555 1.674 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.732 4.378 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.546 3.829 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.306 0.966 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.043 4.438 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.470 -0.186 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.208 3.288 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.427 0.972 -0.241 1.00 0.00 H new ATOM 308 N LEU A 24 0.714 4.146 -0.921 1.00 0.00 N ATOM 309 CA LEU A 24 -0.527 4.880 -0.704 1.00 0.00 C ATOM 310 C LEU A 24 -1.734 3.953 -0.802 1.00 0.00 C ATOM 311 O LEU A 24 -1.698 2.941 -1.500 1.00 0.00 O ATOM 312 CB LEU A 24 -0.659 6.014 -1.722 1.00 0.00 C ATOM 313 CG LEU A 24 0.228 7.231 -1.455 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.328 8.101 -2.698 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.311 8.035 -0.281 1.00 0.00 C ATOM 0 H LEU A 24 1.155 4.321 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.497 5.303 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.424 5.622 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.699 6.340 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 24 1.228 6.880 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.963 8.962 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.759 7.521 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.667 8.444 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.332 8.897 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.321 8.376 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.330 7.408 0.611 1.00 0.00 H new ATOM 327 N ASP A 25 -2.803 4.308 -0.096 1.00 0.00 N ATOM 328 CA ASP A 25 -4.024 3.510 -0.102 1.00 0.00 C ATOM 329 C ASP A 25 -4.917 3.896 -1.279 1.00 0.00 C ATOM 330 O ASP A 25 -5.074 5.077 -1.587 1.00 0.00 O ATOM 331 CB ASP A 25 -4.783 3.698 1.213 1.00 0.00 C ATOM 332 CG ASP A 25 -5.848 2.639 1.424 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.955 2.792 0.865 1.00 0.00 O ATOM 334 OD2 ASP A 25 -5.576 1.658 2.148 1.00 0.00 O ATOM 0 H ASP A 25 -2.848 5.143 0.488 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.747 2.461 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.078 3.670 2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.248 4.684 1.223 1.00 0.00 H new ATOM 339 N PRO A 26 -5.519 2.903 -1.958 1.00 0.00 N ATOM 340 CA PRO A 26 -6.400 3.156 -3.106 1.00 0.00 C ATOM 341 C PRO A 26 -7.653 3.932 -2.716 1.00 0.00 C ATOM 342 O PRO A 26 -8.243 4.630 -3.541 1.00 0.00 O ATOM 343 CB PRO A 26 -6.772 1.753 -3.596 1.00 0.00 C ATOM 344 CG PRO A 26 -6.542 0.862 -2.424 1.00 0.00 C ATOM 345 CD PRO A 26 -5.394 1.464 -1.667 1.00 0.00 C ATOM 0 HA PRO A 26 -5.909 3.767 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.810 1.712 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.157 1.455 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.433 0.801 -1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.308 -0.153 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.465 1.261 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.437 1.066 -2.004 1.00 0.00 H new ATOM 353 N ILE A 27 -8.057 3.805 -1.456 1.00 0.00 N ATOM 354 CA ILE A 27 -9.243 4.494 -0.961 1.00 0.00 C ATOM 355 C ILE A 27 -8.866 5.652 -0.044 1.00 0.00 C ATOM 356 O ILE A 27 -9.291 6.788 -0.255 1.00 0.00 O ATOM 357 CB ILE A 27 -10.173 3.532 -0.198 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.406 2.259 -1.013 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.496 4.214 0.119 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.286 1.246 -0.313 1.00 0.00 C ATOM 0 H ILE A 27 -7.581 3.232 -0.760 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.769 4.883 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.694 3.257 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.861 2.526 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.443 1.799 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.142 3.521 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.313 5.094 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.982 4.515 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.408 0.369 -0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.822 0.950 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.262 1.688 -0.113 1.00 0.00 H new ATOM 372 N MET A 28 -8.068 5.356 0.978 1.00 0.00 N ATOM 373 CA MET A 28 -7.637 6.372 1.930 1.00 0.00 C ATOM 374 C MET A 28 -6.692 7.375 1.274 1.00 0.00 C ATOM 375 O MET A 28 -6.620 8.533 1.685 1.00 0.00 O ATOM 376 CB MET A 28 -6.950 5.717 3.129 1.00 0.00 C ATOM 377 CG MET A 28 -7.907 5.348 4.251 1.00 0.00 C ATOM 378 SD MET A 28 -8.076 6.657 5.479 1.00 0.00 S ATOM 379 CE MET A 28 -9.557 7.479 4.896 1.00 0.00 C ATOM 0 H MET A 28 -7.707 4.421 1.167 1.00 0.00 H new ATOM 0 HA MET A 28 -8.522 6.908 2.272 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.432 4.818 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.191 6.396 3.518 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.886 5.123 3.829 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.554 4.440 4.740 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.983 8.076 5.702 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.307 8.128 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.284 6.734 4.574 1.00 0.00 H new ATOM 389 N SER A 29 -5.970 6.925 0.252 1.00 0.00 N ATOM 390 CA SER A 29 -5.031 7.789 -0.455 1.00 0.00 C ATOM 391 C SER A 29 -3.953 8.310 0.488 1.00 0.00 C ATOM 392 O SER A 29 -3.444 9.418 0.315 1.00 0.00 O ATOM 393 CB SER A 29 -5.771 8.962 -1.100 1.00 0.00 C ATOM 394 OG SER A 29 -5.157 9.345 -2.319 1.00 0.00 O ATOM 0 H SER A 29 -6.017 5.970 -0.104 1.00 0.00 H new ATOM 0 HA SER A 29 -4.550 7.198 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.809 8.684 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.784 9.809 -0.414 1.00 0.00 H new ATOM 0 HG SER A 29 -5.650 10.095 -2.712 1.00 0.00 H new ATOM 400 N THR A 30 -3.607 7.504 1.487 1.00 0.00 N ATOM 401 CA THR A 30 -2.588 7.885 2.460 1.00 0.00 C ATOM 402 C THR A 30 -1.592 6.750 2.674 1.00 0.00 C ATOM 403 O THR A 30 -1.742 5.665 2.112 1.00 0.00 O ATOM 404 CB THR A 30 -3.239 8.265 3.790 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.140 7.259 4.214 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.003 9.570 3.731 1.00 0.00 C ATOM 0 H THR A 30 -4.017 6.583 1.644 1.00 0.00 H new ATOM 0 HA THR A 30 -2.051 8.748 2.068 1.00 0.00 H new ATOM 0 HB THR A 30 -2.414 8.377 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.544 7.521 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.440 9.780 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.324 10.377 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.796 9.494 2.987 1.00 0.00 H new ATOM 414 N LEU A 31 -0.574 7.007 3.489 1.00 0.00 N ATOM 415 CA LEU A 31 0.447 6.007 3.778 1.00 0.00 C ATOM 416 C LEU A 31 -0.175 4.751 4.380 1.00 0.00 C ATOM 417 O LEU A 31 -1.070 4.831 5.221 1.00 0.00 O ATOM 418 CB LEU A 31 1.496 6.580 4.735 1.00 0.00 C ATOM 419 CG LEU A 31 2.898 5.986 4.589 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.566 6.501 3.324 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.742 6.312 5.812 1.00 0.00 C ATOM 0 H LEU A 31 -0.434 7.900 3.961 1.00 0.00 H new ATOM 0 HA LEU A 31 0.930 5.737 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.556 7.657 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.156 6.423 5.759 1.00 0.00 H new ATOM 0 HG LEU A 31 2.809 4.902 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.562 6.068 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.970 6.218 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.645 7.587 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.737 5.882 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.824 7.394 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.271 5.894 6.701 1.00 0.00 H new ATOM 433 N MET A 32 0.305 3.591 3.943 1.00 0.00 N ATOM 434 CA MET A 32 -0.207 2.318 4.437 1.00 0.00 C ATOM 435 C MET A 32 0.772 1.682 5.420 1.00 0.00 C ATOM 436 O MET A 32 1.986 1.734 5.224 1.00 0.00 O ATOM 437 CB MET A 32 -0.469 1.363 3.272 1.00 0.00 C ATOM 438 CG MET A 32 -1.680 1.743 2.436 1.00 0.00 C ATOM 439 SD MET A 32 -2.202 0.421 1.327 1.00 0.00 S ATOM 440 CE MET A 32 -0.850 0.408 0.154 1.00 0.00 C ATOM 0 H MET A 32 1.047 3.506 3.248 1.00 0.00 H new ATOM 0 HA MET A 32 -1.145 2.510 4.958 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.411 1.336 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.609 0.355 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.506 2.004 3.098 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.448 2.632 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.093 -0.258 -0.674 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.689 1.417 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.056 0.057 0.647 1.00 0.00 H new ATOM 450 N CYS A 33 0.235 1.079 6.476 1.00 0.00 N ATOM 451 CA CYS A 33 1.060 0.431 7.488 1.00 0.00 C ATOM 452 C CYS A 33 0.983 -1.087 7.360 1.00 0.00 C ATOM 453 O CYS A 33 2.002 -1.759 7.203 1.00 0.00 O ATOM 454 CB CYS A 33 0.618 0.859 8.889 1.00 0.00 C ATOM 455 SG CYS A 33 1.927 0.776 10.134 1.00 0.00 S ATOM 0 H CYS A 33 -0.768 1.026 6.653 1.00 0.00 H new ATOM 0 HA CYS A 33 2.093 0.740 7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.240 1.880 8.843 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.211 0.226 9.206 1.00 0.00 H new ATOM 0 HG CYS A 33 1.457 1.159 11.284 1.00 0.00 H new ATOM 461 N ASP A 34 -0.233 -1.620 7.428 1.00 0.00 N ATOM 462 CA ASP A 34 -0.444 -3.059 7.319 1.00 0.00 C ATOM 463 C ASP A 34 -1.297 -3.390 6.095 1.00 0.00 C ATOM 464 O ASP A 34 -2.483 -3.690 6.217 1.00 0.00 O ATOM 465 CB ASP A 34 -1.117 -3.594 8.584 1.00 0.00 C ATOM 466 CG ASP A 34 -0.125 -3.845 9.703 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.709 -4.765 9.562 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.181 -3.122 10.720 1.00 0.00 O ATOM 0 H ASP A 34 -1.087 -1.077 7.558 1.00 0.00 H new ATOM 0 HA ASP A 34 0.528 -3.538 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.869 -2.881 8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.639 -4.522 8.350 1.00 0.00 H new ATOM 473 N PRO A 35 -0.697 -3.337 4.893 1.00 0.00 N ATOM 474 CA PRO A 35 -1.406 -3.631 3.643 1.00 0.00 C ATOM 475 C PRO A 35 -1.755 -5.110 3.507 1.00 0.00 C ATOM 476 O PRO A 35 -0.878 -5.971 3.552 1.00 0.00 O ATOM 477 CB PRO A 35 -0.408 -3.216 2.562 1.00 0.00 C ATOM 478 CG PRO A 35 0.927 -3.337 3.211 1.00 0.00 C ATOM 479 CD PRO A 35 0.716 -2.986 4.658 1.00 0.00 C ATOM 0 HA PRO A 35 -2.360 -3.108 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.482 -3.861 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.592 -2.196 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.321 -4.348 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.649 -2.665 2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.384 -3.550 5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.904 -1.929 4.847 1.00 0.00 H new ATOM 487 N VAL A 36 -3.042 -5.395 3.336 1.00 0.00 N ATOM 488 CA VAL A 36 -3.508 -6.767 3.189 1.00 0.00 C ATOM 489 C VAL A 36 -3.990 -7.033 1.767 1.00 0.00 C ATOM 490 O VAL A 36 -4.613 -6.175 1.142 1.00 0.00 O ATOM 491 CB VAL A 36 -4.652 -7.080 4.173 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.139 -7.085 5.605 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.788 -6.082 4.009 1.00 0.00 C ATOM 0 H VAL A 36 -3.780 -4.693 3.296 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.660 -7.415 3.411 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.038 -8.074 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.961 -7.308 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.364 -7.844 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.724 -6.107 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.586 -6.320 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.419 -5.075 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.174 -6.134 2.991 1.00 0.00 H new ATOM 503 N VAL A 37 -3.699 -8.227 1.261 1.00 0.00 N ATOM 504 CA VAL A 37 -4.102 -8.604 -0.088 1.00 0.00 C ATOM 505 C VAL A 37 -5.518 -9.168 -0.104 1.00 0.00 C ATOM 506 O VAL A 37 -5.857 -10.045 0.692 1.00 0.00 O ATOM 507 CB VAL A 37 -3.143 -9.646 -0.694 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.424 -9.835 -2.176 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.695 -9.237 -0.467 1.00 0.00 C ATOM 0 H VAL A 37 -3.186 -8.950 1.765 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.068 -7.696 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.310 -10.599 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.736 -10.575 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.449 -10.179 -2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.288 -8.887 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.033 -9.986 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.511 -8.272 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.502 -9.160 0.603 1.00 0.00 H new ATOM 519 N LEU A 38 -6.342 -8.661 -1.015 1.00 0.00 N ATOM 520 CA LEU A 38 -7.722 -9.115 -1.135 1.00 0.00 C ATOM 521 C LEU A 38 -7.836 -10.234 -2.170 1.00 0.00 C ATOM 522 O LEU A 38 -7.652 -10.001 -3.365 1.00 0.00 O ATOM 523 CB LEU A 38 -8.631 -7.949 -1.529 1.00 0.00 C ATOM 524 CG LEU A 38 -8.447 -6.675 -0.703 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.060 -5.481 -1.419 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.059 -6.844 0.679 1.00 0.00 C ATOM 0 H LEU A 38 -6.078 -7.935 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.038 -9.503 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.457 -7.711 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.668 -8.272 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.379 -6.491 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.919 -4.584 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.575 -5.348 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.126 -5.654 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.919 -5.928 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.125 -7.052 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.573 -7.673 1.193 1.00 0.00 H new ATOM 538 N PRO A 39 -8.140 -11.468 -1.730 1.00 0.00 N ATOM 539 CA PRO A 39 -8.272 -12.617 -2.634 1.00 0.00 C ATOM 540 C PRO A 39 -9.485 -12.505 -3.557 1.00 0.00 C ATOM 541 O PRO A 39 -9.628 -13.284 -4.499 1.00 0.00 O ATOM 542 CB PRO A 39 -8.434 -13.805 -1.684 1.00 0.00 C ATOM 543 CG PRO A 39 -8.978 -13.217 -0.429 1.00 0.00 C ATOM 544 CD PRO A 39 -8.376 -11.844 -0.324 1.00 0.00 C ATOM 0 HA PRO A 39 -7.416 -12.701 -3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.112 -14.552 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.481 -14.303 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.066 -13.165 -0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.714 -13.827 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.051 -11.146 0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.450 -11.854 0.251 1.00 0.00 H new ATOM 552 N SER A 40 -10.357 -11.540 -3.280 1.00 0.00 N ATOM 553 CA SER A 40 -11.555 -11.342 -4.089 1.00 0.00 C ATOM 554 C SER A 40 -11.326 -10.280 -5.163 1.00 0.00 C ATOM 555 O SER A 40 -11.498 -10.543 -6.354 1.00 0.00 O ATOM 556 CB SER A 40 -12.734 -10.939 -3.199 1.00 0.00 C ATOM 557 OG SER A 40 -13.841 -11.799 -3.401 1.00 0.00 O ATOM 0 H SER A 40 -10.257 -10.885 -2.504 1.00 0.00 H new ATOM 0 HA SER A 40 -11.785 -12.285 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.431 -10.970 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.023 -9.911 -3.417 1.00 0.00 H new ATOM 0 HG SER A 40 -14.359 -11.866 -2.572 1.00 0.00 H new ATOM 563 N SER A 41 -10.945 -9.082 -4.735 1.00 0.00 N ATOM 564 CA SER A 41 -10.702 -7.980 -5.661 1.00 0.00 C ATOM 565 C SER A 41 -9.257 -7.972 -6.157 1.00 0.00 C ATOM 566 O SER A 41 -8.936 -7.304 -7.139 1.00 0.00 O ATOM 567 CB SER A 41 -11.027 -6.644 -4.991 1.00 0.00 C ATOM 568 OG SER A 41 -10.121 -6.368 -3.937 1.00 0.00 O ATOM 0 H SER A 41 -10.797 -8.848 -3.753 1.00 0.00 H new ATOM 0 HA SER A 41 -11.355 -8.123 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.985 -5.844 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.045 -6.667 -4.603 1.00 0.00 H new ATOM 0 HG SER A 41 -9.875 -5.420 -3.957 1.00 0.00 H new ATOM 574 N ARG A 42 -8.387 -8.712 -5.474 1.00 0.00 N ATOM 575 CA ARG A 42 -6.979 -8.778 -5.852 1.00 0.00 C ATOM 576 C ARG A 42 -6.327 -7.402 -5.758 1.00 0.00 C ATOM 577 O ARG A 42 -5.397 -7.092 -6.503 1.00 0.00 O ATOM 578 CB ARG A 42 -6.833 -9.328 -7.272 1.00 0.00 C ATOM 579 CG ARG A 42 -7.281 -10.775 -7.414 1.00 0.00 C ATOM 580 CD ARG A 42 -8.633 -10.877 -8.100 1.00 0.00 C ATOM 581 NE ARG A 42 -9.465 -11.927 -7.517 1.00 0.00 N ATOM 582 CZ ARG A 42 -9.310 -13.224 -7.776 1.00 0.00 C ATOM 583 NH1 ARG A 42 -8.356 -13.633 -8.604 1.00 0.00 N ATOM 584 NH2 ARG A 42 -10.109 -14.114 -7.205 1.00 0.00 N ATOM 0 H ARG A 42 -8.632 -9.273 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.474 -9.450 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.414 -8.708 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.790 -9.248 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.539 -11.332 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.336 -11.238 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.151 -9.921 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.487 -11.078 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.207 -11.651 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.737 -12.953 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.242 -14.628 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.843 -13.806 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.990 -15.107 -7.403 1.00 0.00 H new ATOM 598 N VAL A 43 -6.822 -6.581 -4.837 1.00 0.00 N ATOM 599 CA VAL A 43 -6.288 -5.238 -4.644 1.00 0.00 C ATOM 600 C VAL A 43 -5.668 -5.089 -3.259 1.00 0.00 C ATOM 601 O VAL A 43 -6.239 -5.529 -2.262 1.00 0.00 O ATOM 602 CB VAL A 43 -7.381 -4.168 -4.825 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.775 -2.773 -4.799 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.148 -4.401 -6.118 1.00 0.00 C ATOM 0 H VAL A 43 -7.592 -6.822 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.518 -5.090 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.082 -4.248 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.563 -2.031 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.277 -2.610 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.050 -2.676 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.916 -3.635 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.461 -4.351 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.617 -5.384 -6.090 1.00 0.00 H new ATOM 614 N THR A 44 -4.496 -4.466 -3.205 1.00 0.00 N ATOM 615 CA THR A 44 -3.797 -4.260 -1.941 1.00 0.00 C ATOM 616 C THR A 44 -4.360 -3.054 -1.197 1.00 0.00 C ATOM 617 O THR A 44 -4.309 -1.927 -1.692 1.00 0.00 O ATOM 618 CB THR A 44 -2.300 -4.070 -2.186 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.918 -4.636 -3.427 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.434 -4.692 -1.112 1.00 0.00 C ATOM 0 H THR A 44 -4.010 -4.095 -4.021 1.00 0.00 H new ATOM 0 HA THR A 44 -3.947 -5.146 -1.324 1.00 0.00 H new ATOM 0 HB THR A 44 -2.142 -2.992 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.957 -4.502 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.384 -4.521 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.669 -4.240 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.625 -5.764 -1.066 1.00 0.00 H new ATOM 628 N VAL A 45 -4.895 -3.297 -0.005 1.00 0.00 N ATOM 629 CA VAL A 45 -5.466 -2.232 0.809 1.00 0.00 C ATOM 630 C VAL A 45 -5.056 -2.378 2.270 1.00 0.00 C ATOM 631 O VAL A 45 -4.732 -3.474 2.727 1.00 0.00 O ATOM 632 CB VAL A 45 -7.004 -2.218 0.719 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.454 -1.854 -0.687 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.577 -3.563 1.139 1.00 0.00 C ATOM 0 H VAL A 45 -4.945 -4.224 0.419 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.078 -1.292 0.417 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.382 -1.459 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.543 -1.849 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.076 -0.865 -0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.066 -2.587 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.664 -3.533 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.192 -4.343 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.286 -3.778 2.167 1.00 0.00 H new ATOM 644 N ASP A 46 -5.068 -1.267 2.998 1.00 0.00 N ATOM 645 CA ASP A 46 -4.696 -1.272 4.408 1.00 0.00 C ATOM 646 C ASP A 46 -5.604 -2.200 5.208 1.00 0.00 C ATOM 647 O ASP A 46 -6.783 -2.356 4.892 1.00 0.00 O ATOM 648 CB ASP A 46 -4.760 0.148 4.978 1.00 0.00 C ATOM 649 CG ASP A 46 -3.414 0.629 5.483 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.571 -0.224 5.832 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.202 1.859 5.530 1.00 0.00 O ATOM 0 H ASP A 46 -5.331 -0.351 2.635 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.674 -1.641 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.121 0.830 4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.483 0.177 5.794 1.00 0.00 H new ATOM 656 N ARG A 47 -5.047 -2.814 6.248 1.00 0.00 N ATOM 657 CA ARG A 47 -5.805 -3.726 7.096 1.00 0.00 C ATOM 658 C ARG A 47 -7.012 -3.023 7.710 1.00 0.00 C ATOM 659 O ARG A 47 -8.047 -3.643 7.955 1.00 0.00 O ATOM 660 CB ARG A 47 -4.911 -4.289 8.203 1.00 0.00 C ATOM 661 CG ARG A 47 -5.258 -5.715 8.601 1.00 0.00 C ATOM 662 CD ARG A 47 -6.434 -5.758 9.567 1.00 0.00 C ATOM 663 NE ARG A 47 -6.098 -6.451 10.809 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.516 -5.867 11.855 1.00 0.00 C ATOM 665 NH1 ARG A 47 -5.191 -4.580 11.812 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.256 -6.572 12.947 1.00 0.00 N ATOM 0 H ARG A 47 -4.072 -2.696 6.523 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.163 -4.547 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.873 -4.256 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.987 -3.647 9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.498 -6.294 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.390 -6.186 9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.754 -4.741 9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.277 -6.258 9.090 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.323 -7.443 10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.387 -4.032 10.974 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.746 -4.139 12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.502 -7.561 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.810 -6.125 13.748 1.00 0.00 H new ATOM 680 N SER A 48 -6.872 -1.724 7.955 1.00 0.00 N ATOM 681 CA SER A 48 -7.950 -0.935 8.539 1.00 0.00 C ATOM 682 C SER A 48 -8.899 -0.429 7.460 1.00 0.00 C ATOM 683 O SER A 48 -10.106 -0.323 7.681 1.00 0.00 O ATOM 684 CB SER A 48 -7.378 0.245 9.327 1.00 0.00 C ATOM 685 OG SER A 48 -6.273 0.821 8.652 1.00 0.00 O ATOM 0 H SER A 48 -6.022 -1.196 7.758 1.00 0.00 H new ATOM 0 HA SER A 48 -8.511 -1.578 9.218 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.152 0.998 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.069 -0.090 10.317 1.00 0.00 H new ATOM 0 HG SER A 48 -5.927 1.574 9.175 1.00 0.00 H new ATOM 691 N THR A 49 -8.348 -0.119 6.291 1.00 0.00 N ATOM 692 CA THR A 49 -9.148 0.375 5.175 1.00 0.00 C ATOM 693 C THR A 49 -10.196 -0.653 4.763 1.00 0.00 C ATOM 694 O THR A 49 -11.305 -0.298 4.364 1.00 0.00 O ATOM 695 CB THR A 49 -8.249 0.710 3.985 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.199 1.576 4.378 1.00 0.00 O ATOM 697 CG2 THR A 49 -8.990 1.376 2.845 1.00 0.00 C ATOM 0 H THR A 49 -7.351 -0.201 6.091 1.00 0.00 H new ATOM 0 HA THR A 49 -9.660 1.281 5.499 1.00 0.00 H new ATOM 0 HB THR A 49 -7.862 -0.247 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.602 1.733 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.294 1.587 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.777 0.713 2.486 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.433 2.308 3.195 1.00 0.00 H new ATOM 705 N ILE A 50 -9.838 -1.928 4.867 1.00 0.00 N ATOM 706 CA ILE A 50 -10.748 -3.008 4.507 1.00 0.00 C ATOM 707 C ILE A 50 -11.681 -3.346 5.665 1.00 0.00 C ATOM 708 O ILE A 50 -12.858 -3.643 5.462 1.00 0.00 O ATOM 709 CB ILE A 50 -9.977 -4.277 4.088 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.949 -5.359 3.609 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.129 -4.792 5.242 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.678 -4.994 2.335 1.00 0.00 C ATOM 0 H ILE A 50 -8.924 -2.238 5.198 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.339 -2.659 3.660 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.313 -4.021 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.398 -6.286 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.680 -5.553 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.592 -5.687 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.413 -4.025 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.773 -5.033 6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.349 -5.806 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.256 -4.084 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.955 -4.829 1.536 1.00 0.00 H new ATOM 724 N ALA A 51 -11.146 -3.298 6.882 1.00 0.00 N ATOM 725 CA ALA A 51 -11.929 -3.597 8.074 1.00 0.00 C ATOM 726 C ALA A 51 -13.139 -2.675 8.182 1.00 0.00 C ATOM 727 O ALA A 51 -14.231 -3.107 8.551 1.00 0.00 O ATOM 728 CB ALA A 51 -11.059 -3.483 9.319 1.00 0.00 C ATOM 0 H ALA A 51 -10.173 -3.055 7.067 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.294 -4.621 7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.656 -3.709 10.202 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.231 -4.189 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.666 -2.469 9.396 1.00 0.00 H new ATOM 734 N ARG A 52 -12.937 -1.402 7.859 1.00 0.00 N ATOM 735 CA ARG A 52 -14.011 -0.418 7.918 1.00 0.00 C ATOM 736 C ARG A 52 -15.150 -0.801 6.978 1.00 0.00 C ATOM 737 O ARG A 52 -16.320 -0.559 7.272 1.00 0.00 O ATOM 738 CB ARG A 52 -13.480 0.971 7.556 1.00 0.00 C ATOM 739 CG ARG A 52 -14.431 2.099 7.920 1.00 0.00 C ATOM 740 CD ARG A 52 -13.709 3.232 8.631 1.00 0.00 C ATOM 741 NE ARG A 52 -14.405 4.508 8.478 1.00 0.00 N ATOM 742 CZ ARG A 52 -15.565 4.796 9.063 1.00 0.00 C ATOM 743 NH1 ARG A 52 -16.163 3.903 9.842 1.00 0.00 N ATOM 744 NH2 ARG A 52 -16.128 5.980 8.871 1.00 0.00 N ATOM 0 H ARG A 52 -12.039 -1.028 7.554 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.396 -0.397 8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.529 1.131 8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.280 1.007 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.907 2.480 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.225 1.714 8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.617 2.994 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.697 3.322 8.235 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.976 5.220 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.733 2.991 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.052 4.129 10.288 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.672 6.671 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.017 6.201 9.319 1.00 0.00 H new ATOM 758 N HIS A 53 -14.798 -1.402 5.847 1.00 0.00 N ATOM 759 CA HIS A 53 -15.788 -1.822 4.862 1.00 0.00 C ATOM 760 C HIS A 53 -16.421 -3.155 5.255 1.00 0.00 C ATOM 761 O HIS A 53 -17.535 -3.469 4.839 1.00 0.00 O ATOM 762 CB HIS A 53 -15.146 -1.939 3.479 1.00 0.00 C ATOM 763 CG HIS A 53 -16.140 -1.990 2.361 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.111 -1.036 2.151 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.301 -2.911 1.376 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.816 -1.399 1.071 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.364 -2.530 0.563 1.00 0.00 N ATOM 0 H HIS A 53 -13.833 -1.610 5.589 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.571 -1.065 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.480 -1.090 3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.530 -2.838 3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.699 -3.798 1.245 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.647 -0.839 0.668 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -17.720 -3.023 -0.256 1.00 0.00 H new ATOM 775 N LEU A 54 -15.703 -3.933 6.060 1.00 0.00 N ATOM 776 CA LEU A 54 -16.197 -5.231 6.508 1.00 0.00 C ATOM 777 C LEU A 54 -16.839 -5.126 7.888 1.00 0.00 C ATOM 778 O LEU A 54 -16.824 -6.082 8.663 1.00 0.00 O ATOM 779 CB LEU A 54 -15.057 -6.250 6.541 1.00 0.00 C ATOM 780 CG LEU A 54 -14.348 -6.475 5.204 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.269 -7.537 5.344 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.350 -6.869 4.130 1.00 0.00 C ATOM 0 H LEU A 54 -14.779 -3.688 6.415 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.955 -5.565 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.320 -5.924 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.453 -7.204 6.889 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.873 -5.541 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.776 -7.683 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.535 -7.215 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.721 -8.475 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.829 -7.025 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.854 -7.790 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.087 -6.075 4.011 1.00 0.00 H new ATOM 794 N LEU A 55 -17.403 -3.960 8.189 1.00 0.00 N ATOM 795 CA LEU A 55 -18.050 -3.734 9.475 1.00 0.00 C ATOM 796 C LEU A 55 -19.491 -4.233 9.453 1.00 0.00 C ATOM 797 O LEU A 55 -19.916 -4.975 10.339 1.00 0.00 O ATOM 798 CB LEU A 55 -18.019 -2.247 9.833 1.00 0.00 C ATOM 799 CG LEU A 55 -16.638 -1.696 10.193 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.689 -0.183 10.341 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.123 -2.342 11.471 1.00 0.00 C ATOM 0 H LEU A 55 -17.424 -3.158 7.559 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.501 -4.294 10.232 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.412 -1.678 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.692 -2.077 10.674 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.949 -1.938 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.698 0.191 10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.014 0.264 9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.392 0.082 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.140 -1.938 11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.812 -2.131 12.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.048 -3.420 11.329 1.00 0.00 H new ATOM 813 N SER A 56 -20.238 -3.821 8.435 1.00 0.00 N ATOM 814 CA SER A 56 -21.633 -4.226 8.294 1.00 0.00 C ATOM 815 C SER A 56 -21.811 -5.150 7.094 1.00 0.00 C ATOM 816 O SER A 56 -22.632 -6.067 7.121 1.00 0.00 O ATOM 817 CB SER A 56 -22.530 -2.997 8.145 1.00 0.00 C ATOM 818 OG SER A 56 -22.758 -2.376 9.398 1.00 0.00 O ATOM 0 H SER A 56 -19.901 -3.206 7.694 1.00 0.00 H new ATOM 0 HA SER A 56 -21.921 -4.769 9.194 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.066 -2.285 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.482 -3.290 7.702 1.00 0.00 H new ATOM 0 HG SER A 56 -23.333 -1.592 9.275 1.00 0.00 H new ATOM 824 N ASP A 57 -21.037 -4.903 6.043 1.00 0.00 N ATOM 825 CA ASP A 57 -21.108 -5.713 4.832 1.00 0.00 C ATOM 826 C ASP A 57 -19.782 -6.422 4.574 1.00 0.00 C ATOM 827 O ASP A 57 -18.794 -5.795 4.195 1.00 0.00 O ATOM 828 CB ASP A 57 -21.473 -4.839 3.631 1.00 0.00 C ATOM 829 CG ASP A 57 -22.751 -4.053 3.855 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.840 -4.661 3.795 1.00 0.00 O ATOM 831 OD2 ASP A 57 -22.661 -2.830 4.091 1.00 0.00 O ATOM 0 H ASP A 57 -20.353 -4.148 6.005 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.882 -6.467 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.656 -4.148 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.587 -5.468 2.748 1.00 0.00 H new ATOM 836 N GLN A 58 -19.770 -7.735 4.784 1.00 0.00 N ATOM 837 CA GLN A 58 -18.566 -8.531 4.575 1.00 0.00 C ATOM 838 C GLN A 58 -18.315 -8.762 3.087 1.00 0.00 C ATOM 839 O GLN A 58 -18.629 -9.824 2.553 1.00 0.00 O ATOM 840 CB GLN A 58 -18.685 -9.873 5.298 1.00 0.00 C ATOM 841 CG GLN A 58 -18.174 -9.840 6.730 1.00 0.00 C ATOM 842 CD GLN A 58 -19.264 -10.115 7.747 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.035 -11.064 7.606 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.333 -9.284 8.780 1.00 0.00 N ATOM 0 H GLN A 58 -20.580 -8.269 5.098 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.721 -7.978 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.730 -10.183 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.130 -10.627 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.381 -10.578 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.733 -8.864 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.673 -8.510 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.046 -9.419 9.497 1.00 0.00 H new ATOM 853 N THR A 59 -17.747 -7.759 2.426 1.00 0.00 N ATOM 854 CA THR A 59 -17.453 -7.852 1.000 1.00 0.00 C ATOM 855 C THR A 59 -16.365 -6.861 0.602 1.00 0.00 C ATOM 856 O THR A 59 -15.950 -6.024 1.404 1.00 0.00 O ATOM 857 CB THR A 59 -18.718 -7.596 0.179 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.420 -6.472 0.679 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.675 -8.769 0.173 1.00 0.00 C ATOM 0 H THR A 59 -17.481 -6.872 2.854 1.00 0.00 H new ATOM 0 HA THR A 59 -17.093 -8.860 0.795 1.00 0.00 H new ATOM 0 HB THR A 59 -18.372 -7.425 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.225 -6.323 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.551 -8.521 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.179 -9.641 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.986 -8.990 1.194 1.00 0.00 H new ATOM 867 N ASP A 60 -15.906 -6.961 -0.642 1.00 0.00 N ATOM 868 CA ASP A 60 -14.866 -6.072 -1.146 1.00 0.00 C ATOM 869 C ASP A 60 -15.475 -4.789 -1.710 1.00 0.00 C ATOM 870 O ASP A 60 -16.537 -4.820 -2.332 1.00 0.00 O ATOM 871 CB ASP A 60 -14.039 -6.778 -2.224 1.00 0.00 C ATOM 872 CG ASP A 60 -12.680 -7.215 -1.715 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.051 -6.442 -0.962 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.244 -8.330 -2.070 1.00 0.00 O ATOM 0 H ASP A 60 -16.238 -7.648 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.213 -5.808 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.586 -7.649 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.908 -6.109 -3.074 1.00 0.00 H new ATOM 879 N PRO A 61 -14.811 -3.639 -1.499 1.00 0.00 N ATOM 880 CA PRO A 61 -15.298 -2.347 -1.989 1.00 0.00 C ATOM 881 C PRO A 61 -15.059 -2.154 -3.485 1.00 0.00 C ATOM 882 O PRO A 61 -15.485 -1.154 -4.063 1.00 0.00 O ATOM 883 CB PRO A 61 -14.476 -1.343 -1.183 1.00 0.00 C ATOM 884 CG PRO A 61 -13.193 -2.047 -0.906 1.00 0.00 C ATOM 885 CD PRO A 61 -13.537 -3.507 -0.764 1.00 0.00 C ATOM 0 HA PRO A 61 -16.376 -2.244 -1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.311 -0.424 -1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.984 -1.065 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.481 -1.892 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.728 -1.666 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.762 -4.144 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.647 -3.793 0.282 1.00 0.00 H new ATOM 893 N PHE A 62 -14.374 -3.110 -4.109 1.00 0.00 N ATOM 894 CA PHE A 62 -14.082 -3.029 -5.536 1.00 0.00 C ATOM 895 C PHE A 62 -14.787 -4.141 -6.307 1.00 0.00 C ATOM 896 O PHE A 62 -15.364 -3.904 -7.369 1.00 0.00 O ATOM 897 CB PHE A 62 -12.573 -3.108 -5.775 1.00 0.00 C ATOM 898 CG PHE A 62 -11.769 -2.255 -4.835 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.721 -0.880 -4.996 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.064 -2.830 -3.790 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.982 -0.094 -4.132 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.323 -2.049 -2.924 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.282 -0.678 -3.095 1.00 0.00 C ATOM 0 H PHE A 62 -14.013 -3.946 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.454 -2.071 -5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.252 -4.145 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.360 -2.805 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.267 -0.417 -5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.094 -3.901 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.952 0.977 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.776 -2.509 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.704 -0.065 -2.419 1.00 0.00 H new ATOM 913 N ASN A 63 -14.733 -5.356 -5.771 1.00 0.00 N ATOM 914 CA ASN A 63 -15.362 -6.505 -6.415 1.00 0.00 C ATOM 915 C ASN A 63 -16.762 -6.751 -5.861 1.00 0.00 C ATOM 916 O ASN A 63 -17.626 -7.292 -6.553 1.00 0.00 O ATOM 917 CB ASN A 63 -14.501 -7.755 -6.228 1.00 0.00 C ATOM 918 CG ASN A 63 -14.542 -8.671 -7.436 1.00 0.00 C ATOM 919 OD1 ASN A 63 -14.880 -8.246 -8.540 1.00 0.00 O ATOM 920 ND2 ASN A 63 -14.197 -9.937 -7.230 1.00 0.00 N ATOM 0 H ASN A 63 -14.261 -5.571 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.450 -6.285 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.470 -7.457 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.844 -8.301 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.206 -10.600 -8.005 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.923 -10.246 -6.297 1.00 0.00 H new ATOM 927 N ARG A 64 -16.982 -6.357 -4.610 1.00 0.00 N ATOM 928 CA ARG A 64 -18.280 -6.542 -3.968 1.00 0.00 C ATOM 929 C ARG A 64 -18.599 -8.025 -3.806 1.00 0.00 C ATOM 930 O ARG A 64 -19.761 -8.428 -3.836 1.00 0.00 O ATOM 931 CB ARG A 64 -19.381 -5.857 -4.782 1.00 0.00 C ATOM 932 CG ARG A 64 -20.668 -5.640 -4.002 1.00 0.00 C ATOM 933 CD ARG A 64 -21.078 -4.176 -3.991 1.00 0.00 C ATOM 934 NE ARG A 64 -21.729 -3.781 -5.238 1.00 0.00 N ATOM 935 CZ ARG A 64 -21.882 -2.516 -5.625 1.00 0.00 C ATOM 936 NH1 ARG A 64 -21.433 -1.524 -4.868 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.487 -2.244 -6.773 1.00 0.00 N ATOM 0 H ARG A 64 -16.280 -5.908 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.235 -6.087 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.014 -4.894 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.598 -6.460 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -21.466 -6.238 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.536 -5.989 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.754 -3.995 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -20.198 -3.554 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.087 -4.517 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.967 -1.728 -3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -21.553 -0.557 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -22.835 -3.003 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -22.605 -1.275 -7.070 1.00 0.00 H new ATOM 951 N SER A 65 -17.557 -8.831 -3.633 1.00 0.00 N ATOM 952 CA SER A 65 -17.722 -10.271 -3.464 1.00 0.00 C ATOM 953 C SER A 65 -17.551 -10.667 -1.999 1.00 0.00 C ATOM 954 O SER A 65 -17.066 -9.878 -1.188 1.00 0.00 O ATOM 955 CB SER A 65 -16.712 -11.023 -4.334 1.00 0.00 C ATOM 956 OG SER A 65 -17.332 -11.551 -5.494 1.00 0.00 O ATOM 0 H SER A 65 -16.589 -8.512 -3.606 1.00 0.00 H new ATOM 0 HA SER A 65 -18.731 -10.540 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.905 -10.350 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.262 -11.832 -3.758 1.00 0.00 H new ATOM 0 HG SER A 65 -16.666 -12.025 -6.034 1.00 0.00 H new ATOM 962 N PRO A 66 -17.947 -11.900 -1.639 1.00 0.00 N ATOM 963 CA PRO A 66 -17.833 -12.396 -0.262 1.00 0.00 C ATOM 964 C PRO A 66 -16.391 -12.398 0.233 1.00 0.00 C ATOM 965 O PRO A 66 -15.579 -13.222 -0.188 1.00 0.00 O ATOM 966 CB PRO A 66 -18.375 -13.830 -0.340 1.00 0.00 C ATOM 967 CG PRO A 66 -18.324 -14.190 -1.786 1.00 0.00 C ATOM 968 CD PRO A 66 -18.534 -12.908 -2.538 1.00 0.00 C ATOM 0 HA PRO A 66 -18.377 -11.764 0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.770 -14.512 0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.393 -13.887 0.044 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.365 -14.640 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.095 -14.919 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.037 -12.923 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.591 -12.717 -2.724 1.00 0.00 H new ATOM 976 N LEU A 67 -16.080 -11.469 1.131 1.00 0.00 N ATOM 977 CA LEU A 67 -14.734 -11.360 1.685 1.00 0.00 C ATOM 978 C LEU A 67 -14.781 -11.210 3.203 1.00 0.00 C ATOM 979 O LEU A 67 -15.686 -10.576 3.746 1.00 0.00 O ATOM 980 CB LEU A 67 -13.999 -10.170 1.066 1.00 0.00 C ATOM 981 CG LEU A 67 -12.594 -9.919 1.614 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.559 -10.677 0.796 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.283 -8.429 1.620 1.00 0.00 C ATOM 0 H LEU A 67 -16.741 -10.781 1.491 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.194 -12.276 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.930 -10.326 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.598 -9.273 1.220 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.554 -10.283 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.565 -10.486 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.771 -11.745 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.599 -10.343 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.279 -8.268 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.341 -8.041 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.006 -7.909 2.248 1.00 0.00 H new ATOM 995 N THR A 68 -13.800 -11.796 3.880 1.00 0.00 N ATOM 996 CA THR A 68 -13.727 -11.727 5.335 1.00 0.00 C ATOM 997 C THR A 68 -12.304 -11.423 5.794 1.00 0.00 C ATOM 998 O THR A 68 -11.355 -11.532 5.017 1.00 0.00 O ATOM 999 CB THR A 68 -14.205 -13.040 5.955 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.781 -14.146 5.178 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.710 -13.125 6.090 1.00 0.00 C ATOM 0 H THR A 68 -13.044 -12.324 3.445 1.00 0.00 H new ATOM 0 HA THR A 68 -14.378 -10.919 5.668 1.00 0.00 H new ATOM 0 HB THR A 68 -13.764 -13.065 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.133 -14.060 4.268 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.982 -14.081 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.065 -12.314 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.169 -13.041 5.105 1.00 0.00 H new ATOM 1009 N MET A 69 -12.163 -11.040 7.058 1.00 0.00 N ATOM 1010 CA MET A 69 -10.854 -10.720 7.618 1.00 0.00 C ATOM 1011 C MET A 69 -9.916 -11.922 7.540 1.00 0.00 C ATOM 1012 O MET A 69 -8.698 -11.766 7.465 1.00 0.00 O ATOM 1013 CB MET A 69 -10.996 -10.261 9.071 1.00 0.00 C ATOM 1014 CG MET A 69 -10.073 -9.110 9.437 1.00 0.00 C ATOM 1015 SD MET A 69 -10.905 -7.511 9.391 1.00 0.00 S ATOM 1016 CE MET A 69 -10.156 -6.781 7.938 1.00 0.00 C ATOM 0 H MET A 69 -12.938 -10.943 7.714 1.00 0.00 H new ATOM 0 HA MET A 69 -10.424 -9.910 7.028 1.00 0.00 H new ATOM 0 HB2 MET A 69 -12.028 -9.959 9.249 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.792 -11.104 9.731 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.669 -9.277 10.436 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.227 -9.095 8.750 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.921 -6.273 7.351 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.395 -6.062 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.695 -7.563 7.334 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.492 -13.121 7.560 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.706 -14.347 7.493 1.00 0.00 C ATOM 1028 C ASP A 70 -9.192 -14.586 6.076 1.00 0.00 C ATOM 1029 O ASP A 70 -8.089 -15.098 5.883 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.543 -15.541 7.953 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.468 -15.757 9.452 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -9.341 -15.783 9.991 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -11.534 -15.899 10.085 1.00 0.00 O ATOM 0 H ASP A 70 -11.499 -13.268 7.622 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.849 -14.237 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.582 -15.386 7.663 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.200 -16.440 7.442 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.999 -14.213 5.088 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.628 -14.388 3.689 1.00 0.00 C ATOM 1040 C GLN A 71 -8.428 -13.518 3.331 1.00 0.00 C ATOM 1041 O GLN A 71 -7.453 -13.996 2.751 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.809 -14.046 2.780 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.839 -15.160 2.676 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.013 -14.787 1.793 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.092 -14.452 2.282 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.810 -14.845 0.481 1.00 0.00 N ATOM 0 H GLN A 71 -10.915 -13.787 5.231 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.354 -15.432 3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.296 -13.146 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.434 -13.815 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.361 -16.056 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.203 -15.408 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.900 -15.128 0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.564 -14.607 -0.163 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.506 -12.238 3.680 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.427 -11.300 3.396 1.00 0.00 C ATOM 1057 C ILE A 72 -6.188 -11.620 4.225 1.00 0.00 C ATOM 1058 O ILE A 72 -6.290 -11.999 5.392 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.856 -9.847 3.676 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.295 -9.693 5.133 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.975 -9.435 2.731 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.218 -9.129 6.032 1.00 0.00 C ATOM 0 H ILE A 72 -9.306 -11.827 4.160 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.190 -11.403 2.337 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.002 -9.191 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.169 -9.042 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.604 -10.666 5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.268 -8.406 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.627 -9.511 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.832 -10.093 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.599 -9.047 7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.352 -9.790 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.925 -8.142 5.674 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.017 -11.466 3.613 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.757 -11.739 4.295 1.00 0.00 C ATOM 1076 C ARG A 73 -2.817 -10.539 4.202 1.00 0.00 C ATOM 1077 O ARG A 73 -2.919 -9.730 3.279 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.085 -12.974 3.693 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.920 -14.239 3.809 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.550 -15.251 2.736 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.839 -16.622 3.152 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.931 -17.648 2.311 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.755 -17.465 1.009 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.197 -18.862 2.773 1.00 0.00 N ATOM 0 H ARG A 73 -4.915 -11.154 2.647 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.975 -11.928 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.872 -12.785 2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.127 -13.134 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.776 -14.682 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.977 -13.987 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.099 -15.027 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.489 -15.159 2.502 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.978 -16.802 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.548 -16.534 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.827 -18.256 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.331 -19.009 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.268 -19.649 2.128 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.882 -10.409 5.160 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.921 -9.303 5.180 1.00 0.00 C ATOM 1100 C PRO A 74 0.113 -9.414 4.064 1.00 0.00 C ATOM 1101 O PRO A 74 0.768 -10.446 3.911 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.248 -9.441 6.548 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.381 -10.884 6.889 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.689 -11.331 6.296 1.00 0.00 C ATOM 0 HA PRO A 74 -1.406 -8.339 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.798 -9.138 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.733 -8.811 7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.450 -11.460 6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.371 -11.032 7.969 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.647 -12.370 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.503 -11.257 7.017 1.00 0.00 H new ATOM 1112 N ASN A 75 0.255 -8.346 3.287 1.00 0.00 N ATOM 1113 CA ASN A 75 1.209 -8.324 2.184 1.00 0.00 C ATOM 1114 C ASN A 75 2.629 -8.110 2.698 1.00 0.00 C ATOM 1115 O ASN A 75 3.098 -6.976 2.801 1.00 0.00 O ATOM 1116 CB ASN A 75 0.842 -7.222 1.188 1.00 0.00 C ATOM 1117 CG ASN A 75 1.081 -7.640 -0.250 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.175 -8.829 -0.556 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.183 -6.661 -1.141 1.00 0.00 N ATOM 0 H ASN A 75 -0.278 -7.484 3.400 1.00 0.00 H new ATOM 0 HA ASN A 75 1.167 -9.289 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.207 -6.955 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.428 -6.329 1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.346 -6.881 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.099 -5.689 -0.843 1.00 0.00 H new ATOM 1126 N THR A 76 3.308 -9.206 3.018 1.00 0.00 N ATOM 1127 CA THR A 76 4.675 -9.139 3.522 1.00 0.00 C ATOM 1128 C THR A 76 5.602 -8.489 2.499 1.00 0.00 C ATOM 1129 O THR A 76 6.534 -7.770 2.860 1.00 0.00 O ATOM 1130 CB THR A 76 5.182 -10.540 3.868 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.099 -11.421 4.108 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.074 -10.567 5.091 1.00 0.00 C ATOM 0 H THR A 76 2.934 -10.152 2.937 1.00 0.00 H new ATOM 0 HA THR A 76 4.673 -8.527 4.424 1.00 0.00 H new ATOM 0 HB THR A 76 5.765 -10.858 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.444 -12.312 4.326 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.399 -11.590 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.945 -9.935 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.520 -10.196 5.953 1.00 0.00 H new ATOM 1140 N GLU A 77 5.341 -8.746 1.222 1.00 0.00 N ATOM 1141 CA GLU A 77 6.154 -8.186 0.148 1.00 0.00 C ATOM 1142 C GLU A 77 6.066 -6.663 0.138 1.00 0.00 C ATOM 1143 O GLU A 77 7.020 -5.980 -0.235 1.00 0.00 O ATOM 1144 CB GLU A 77 5.705 -8.745 -1.204 1.00 0.00 C ATOM 1145 CG GLU A 77 6.586 -9.873 -1.717 1.00 0.00 C ATOM 1146 CD GLU A 77 7.067 -9.641 -3.136 1.00 0.00 C ATOM 1147 OE1 GLU A 77 6.349 -10.035 -4.079 1.00 0.00 O ATOM 1148 OE2 GLU A 77 8.163 -9.064 -3.305 1.00 0.00 O ATOM 0 H GLU A 77 4.573 -9.338 0.905 1.00 0.00 H new ATOM 0 HA GLU A 77 7.191 -8.471 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.680 -9.106 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.697 -7.938 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.448 -9.983 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.031 -10.810 -1.675 1.00 0.00 H new ATOM 1155 N LEU A 78 4.917 -6.138 0.549 1.00 0.00 N ATOM 1156 CA LEU A 78 4.706 -4.695 0.586 1.00 0.00 C ATOM 1157 C LEU A 78 5.123 -4.119 1.936 1.00 0.00 C ATOM 1158 O LEU A 78 5.722 -3.045 2.004 1.00 0.00 O ATOM 1159 CB LEU A 78 3.239 -4.365 0.309 1.00 0.00 C ATOM 1160 CG LEU A 78 2.950 -2.890 0.023 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.622 -2.456 -1.270 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.450 -2.643 -0.042 1.00 0.00 C ATOM 0 H LEU A 78 4.118 -6.689 0.861 1.00 0.00 H new ATOM 0 HA LEU A 78 5.325 -4.243 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.904 -4.957 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.644 -4.676 1.168 1.00 0.00 H new ATOM 0 HG LEU A 78 3.360 -2.294 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.406 -1.404 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.700 -2.595 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.243 -3.057 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.263 -1.589 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.016 -3.249 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.995 -2.914 0.911 1.00 0.00 H new ATOM 1174 N LYS A 79 4.804 -4.839 3.007 1.00 0.00 N ATOM 1175 CA LYS A 79 5.145 -4.398 4.355 1.00 0.00 C ATOM 1176 C LYS A 79 6.649 -4.185 4.496 1.00 0.00 C ATOM 1177 O LYS A 79 7.097 -3.335 5.265 1.00 0.00 O ATOM 1178 CB LYS A 79 4.666 -5.422 5.386 1.00 0.00 C ATOM 1179 CG LYS A 79 4.175 -4.796 6.682 1.00 0.00 C ATOM 1180 CD LYS A 79 4.913 -5.355 7.888 1.00 0.00 C ATOM 1181 CE LYS A 79 4.785 -4.436 9.094 1.00 0.00 C ATOM 1182 NZ LYS A 79 4.919 -5.181 10.377 1.00 0.00 N ATOM 0 H LYS A 79 4.310 -5.730 2.968 1.00 0.00 H new ATOM 0 HA LYS A 79 4.643 -3.447 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.861 -6.015 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.482 -6.109 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.312 -3.715 6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.106 -4.978 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.515 -6.339 8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.966 -5.489 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.550 -3.661 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.819 -3.933 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.826 -4.519 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.174 -5.904 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.851 -5.641 10.416 1.00 0.00 H new ATOM 1196 N GLU A 80 7.425 -4.962 3.747 1.00 0.00 N ATOM 1197 CA GLU A 80 8.878 -4.858 3.788 1.00 0.00 C ATOM 1198 C GLU A 80 9.354 -3.603 3.062 1.00 0.00 C ATOM 1199 O GLU A 80 10.371 -3.013 3.424 1.00 0.00 O ATOM 1200 CB GLU A 80 9.516 -6.098 3.158 1.00 0.00 C ATOM 1201 CG GLU A 80 9.479 -7.323 4.056 1.00 0.00 C ATOM 1202 CD GLU A 80 10.696 -8.211 3.882 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.789 -7.815 4.335 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.554 -9.302 3.291 1.00 0.00 O ATOM 0 H GLU A 80 7.071 -5.671 3.104 1.00 0.00 H new ATOM 0 HA GLU A 80 9.184 -4.790 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.002 -6.326 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.552 -5.874 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.412 -7.004 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.579 -7.900 3.841 1.00 0.00 H new ATOM 1211 N LYS A 81 8.611 -3.203 2.035 1.00 0.00 N ATOM 1212 CA LYS A 81 8.957 -2.019 1.257 1.00 0.00 C ATOM 1213 C LYS A 81 8.682 -0.746 2.051 1.00 0.00 C ATOM 1214 O LYS A 81 9.374 0.259 1.890 1.00 0.00 O ATOM 1215 CB LYS A 81 8.168 -1.997 -0.054 1.00 0.00 C ATOM 1216 CG LYS A 81 8.677 -2.991 -1.085 1.00 0.00 C ATOM 1217 CD LYS A 81 7.767 -3.048 -2.301 1.00 0.00 C ATOM 1218 CE LYS A 81 8.482 -3.643 -3.503 1.00 0.00 C ATOM 1219 NZ LYS A 81 7.559 -3.846 -4.654 1.00 0.00 N ATOM 0 H LYS A 81 7.766 -3.681 1.722 1.00 0.00 H new ATOM 0 HA LYS A 81 10.023 -2.061 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.120 -2.210 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.210 -0.993 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.684 -2.711 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.746 -3.981 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.885 -3.644 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.418 -2.044 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.297 -2.984 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.929 -4.597 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.085 -4.253 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.795 -4.495 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.151 -2.932 -4.938 1.00 0.00 H new ATOM 1233 N ILE A 82 7.667 -0.796 2.908 1.00 0.00 N ATOM 1234 CA ILE A 82 7.302 0.352 3.727 1.00 0.00 C ATOM 1235 C ILE A 82 8.345 0.606 4.811 1.00 0.00 C ATOM 1236 O ILE A 82 8.690 1.752 5.099 1.00 0.00 O ATOM 1237 CB ILE A 82 5.923 0.157 4.388 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.880 -0.231 3.339 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.500 1.423 5.119 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.630 -0.848 3.929 1.00 0.00 C ATOM 0 H ILE A 82 7.083 -1.620 3.053 1.00 0.00 H new ATOM 0 HA ILE A 82 7.256 1.214 3.062 1.00 0.00 H new ATOM 0 HB ILE A 82 5.998 -0.651 5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.603 0.655 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.327 -0.935 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.524 1.268 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.233 1.660 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.440 2.249 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.935 -1.098 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.894 -1.753 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.160 -0.138 4.609 1.00 0.00 H new ATOM 1252 N GLN A 83 8.842 -0.471 5.408 1.00 0.00 N ATOM 1253 CA GLN A 83 9.847 -0.366 6.460 1.00 0.00 C ATOM 1254 C GLN A 83 11.198 0.047 5.884 1.00 0.00 C ATOM 1255 O GLN A 83 11.986 0.723 6.546 1.00 0.00 O ATOM 1256 CB GLN A 83 9.982 -1.698 7.201 1.00 0.00 C ATOM 1257 CG GLN A 83 8.653 -2.277 7.659 1.00 0.00 C ATOM 1258 CD GLN A 83 8.429 -2.116 9.149 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.320 -2.381 9.956 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.232 -1.676 9.523 1.00 0.00 N ATOM 0 H GLN A 83 8.566 -1.427 5.182 1.00 0.00 H new ATOM 0 HA GLN A 83 9.522 0.402 7.162 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.477 -2.418 6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.626 -1.558 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.842 -1.788 7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.614 -3.336 7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.522 -1.468 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.023 -1.546 10.513 1.00 0.00 H new ATOM 1269 N ARG A 84 11.459 -0.365 4.648 1.00 0.00 N ATOM 1270 CA ARG A 84 12.714 -0.038 3.982 1.00 0.00 C ATOM 1271 C ARG A 84 12.737 1.425 3.549 1.00 0.00 C ATOM 1272 O ARG A 84 13.788 2.065 3.549 1.00 0.00 O ATOM 1273 CB ARG A 84 12.922 -0.946 2.768 1.00 0.00 C ATOM 1274 CG ARG A 84 14.356 -1.423 2.604 1.00 0.00 C ATOM 1275 CD ARG A 84 14.697 -1.677 1.145 1.00 0.00 C ATOM 1276 NE ARG A 84 16.044 -1.221 0.810 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.479 -1.044 -0.436 1.00 0.00 C ATOM 1278 NH1 ARG A 84 15.678 -1.284 -1.466 1.00 0.00 N ATOM 1279 NH2 ARG A 84 17.719 -0.625 -0.651 1.00 0.00 N ATOM 0 H ARG A 84 10.818 -0.926 4.087 1.00 0.00 H new ATOM 0 HA ARG A 84 13.526 -0.199 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.267 -1.813 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.621 -0.410 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.037 -0.677 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.504 -2.338 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.612 -2.743 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.973 -1.167 0.509 1.00 0.00 H new ATOM 0 HE ARG A 84 16.689 -1.027 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.723 -1.606 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.017 -1.147 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.338 -0.439 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.053 -0.489 -1.605 1.00 0.00 H new ATOM 1293 N TRP A 85 11.572 1.946 3.182 1.00 0.00 N ATOM 1294 CA TRP A 85 11.460 3.333 2.747 1.00 0.00 C ATOM 1295 C TRP A 85 11.532 4.285 3.937 1.00 0.00 C ATOM 1296 O TRP A 85 12.155 5.343 3.861 1.00 0.00 O ATOM 1297 CB TRP A 85 10.148 3.547 1.986 1.00 0.00 C ATOM 1298 CG TRP A 85 9.978 4.945 1.474 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.727 5.564 0.515 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.996 5.898 1.896 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.270 6.845 0.315 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.209 7.074 1.150 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.958 5.873 2.831 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.421 8.211 1.312 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.177 7.003 2.990 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.412 8.157 2.234 1.00 0.00 C ATOM 0 H TRP A 85 10.692 1.429 3.177 1.00 0.00 H new ATOM 0 HA TRP A 85 12.297 3.547 2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.106 2.853 1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.312 3.304 2.642 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.557 5.113 -0.009 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.658 7.516 -0.348 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.769 4.987 3.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.600 9.103 0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.372 6.995 3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.784 9.023 2.382 1.00 0.00 H new