USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 756 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 37 CYS SG : rot 120:sc= 0.713 USER MOD Set 1.2: A 43 THR OG1 : rot -105:sc= 0.649 USER MOD Set 2.1: A 42 SER OG : rot 165:sc= 0.102 USER MOD Set 2.2: A 44 GLN : amide:sc= -2.38! K(o=-2.3!,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.334 K(o=0.33,f=-3.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0066 USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0958) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00236) USER MOD Single : A 51 ASN : amide:sc= -6.21! C(o=-6.2!,f=-13!) USER MOD Single : A 54 ASN : amide:sc= -0.21 K(o=-0.21,f=-0.87) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.665 X(o=-0.66,f=-1) USER MOD Single : A 60 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.65) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.0484 (180deg=-0.377) USER MOD Single : A 63 THR OG1 : rot -91:sc= 0.0977 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.285 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -129:sc= -4.03! (180deg=-6.15!) USER MOD Single : A 83 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 91 GLN : amide:sc= -3.88! K(o=-3.9!,f=-2.2) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.748 K(o=-0.75,f=-3.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 90:sc= -1.57 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -11.196 -17.321 3.008 1.00 0.00 N ATOM 342 CA ALA A 24 -9.833 -16.844 3.207 1.00 0.00 C ATOM 343 C ALA A 24 -9.811 -15.344 3.481 1.00 0.00 C ATOM 344 O ALA A 24 -10.480 -14.569 2.796 1.00 0.00 O ATOM 345 CB ALA A 24 -8.976 -17.174 1.994 1.00 0.00 C ATOM 0 HA ALA A 24 -9.420 -17.352 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.961 -16.812 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.957 -18.254 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.396 -16.693 1.110 1.00 0.00 H new ATOM 351 N ILE A 25 -9.040 -14.941 4.485 1.00 0.00 N ATOM 352 CA ILE A 25 -8.931 -13.534 4.848 1.00 0.00 C ATOM 353 C ILE A 25 -7.528 -13.201 5.343 1.00 0.00 C ATOM 354 O ILE A 25 -6.936 -13.954 6.117 1.00 0.00 O ATOM 355 CB ILE A 25 -9.952 -13.153 5.936 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.375 -13.439 5.453 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.800 -11.687 6.315 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.412 -13.364 6.552 1.00 0.00 C ATOM 0 H ILE A 25 -8.481 -15.570 5.062 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.141 -12.958 3.947 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.760 -13.759 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.635 -12.726 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.405 -14.431 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.528 -11.433 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.794 -11.512 6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.969 -11.065 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.397 -13.578 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.177 -14.096 7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.410 -12.364 6.986 1.00 0.00 H new ATOM 370 N LEU A 26 -7.001 -12.067 4.894 1.00 0.00 N ATOM 371 CA LEU A 26 -5.668 -11.631 5.293 1.00 0.00 C ATOM 372 C LEU A 26 -5.742 -10.395 6.183 1.00 0.00 C ATOM 373 O LEU A 26 -6.824 -9.865 6.437 1.00 0.00 O ATOM 374 CB LEU A 26 -4.816 -11.334 4.058 1.00 0.00 C ATOM 375 CG LEU A 26 -4.253 -12.551 3.322 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.323 -13.340 4.229 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.382 -13.435 2.813 1.00 0.00 C ATOM 0 H LEU A 26 -7.477 -11.433 4.253 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.205 -12.437 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.418 -10.757 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.983 -10.700 4.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.679 -12.200 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.932 -14.202 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.496 -12.704 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.873 -13.681 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.963 -14.296 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.984 -13.778 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.009 -12.865 2.127 1.00 0.00 H new ATOM 389 N ASP A 27 -4.586 -9.940 6.652 1.00 0.00 N ATOM 390 CA ASP A 27 -4.519 -8.763 7.511 1.00 0.00 C ATOM 391 C ASP A 27 -3.730 -7.644 6.839 1.00 0.00 C ATOM 392 O ASP A 27 -2.500 -7.676 6.797 1.00 0.00 O ATOM 393 CB ASP A 27 -3.878 -9.121 8.853 1.00 0.00 C ATOM 394 CG ASP A 27 -4.051 -8.026 9.887 1.00 0.00 C ATOM 395 OD1 ASP A 27 -5.211 -7.685 10.203 1.00 0.00 O ATOM 396 OD2 ASP A 27 -3.028 -7.510 10.382 1.00 0.00 O ATOM 0 H ASP A 27 -3.682 -10.368 6.452 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.536 -8.412 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.319 -10.044 9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.815 -9.313 8.705 1.00 0.00 H new ATOM 401 N PHE A 28 -4.446 -6.655 6.314 1.00 0.00 N ATOM 402 CA PHE A 28 -3.813 -5.526 5.642 1.00 0.00 C ATOM 403 C PHE A 28 -4.241 -4.206 6.275 1.00 0.00 C ATOM 404 O PHE A 28 -5.392 -4.023 6.673 1.00 0.00 O ATOM 405 CB PHE A 28 -4.166 -5.529 4.153 1.00 0.00 C ATOM 406 CG PHE A 28 -3.424 -6.569 3.363 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.936 -7.850 3.228 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.217 -6.266 2.755 1.00 0.00 C ATOM 409 CE1 PHE A 28 -3.255 -8.809 2.502 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.532 -7.221 2.027 1.00 0.00 C ATOM 411 CZ PHE A 28 -2.052 -8.494 1.900 1.00 0.00 C ATOM 0 H PHE A 28 -5.465 -6.613 6.341 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.733 -5.628 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.237 -5.696 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.952 -4.545 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.877 -8.101 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.806 -5.272 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.663 -9.804 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.591 -6.972 1.558 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.519 -9.242 1.331 1.00 0.00 H new ATOM 421 N PRO A 29 -3.294 -3.262 6.373 1.00 0.00 N ATOM 422 CA PRO A 29 -3.548 -1.942 6.958 1.00 0.00 C ATOM 423 C PRO A 29 -4.451 -1.083 6.078 1.00 0.00 C ATOM 424 O PRO A 29 -4.706 -1.417 4.921 1.00 0.00 O ATOM 425 CB PRO A 29 -2.152 -1.322 7.057 1.00 0.00 C ATOM 426 CG PRO A 29 -1.356 -2.011 6.002 1.00 0.00 C ATOM 427 CD PRO A 29 -1.900 -3.410 5.920 1.00 0.00 C ATOM 0 HA PRO A 29 -4.066 -2.013 7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.184 -0.245 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.719 -1.478 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.451 -1.499 5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.296 -2.019 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.847 -3.803 4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.341 -4.096 6.557 1.00 0.00 H new ATOM 435 N ASP A 30 -4.930 0.024 6.634 1.00 0.00 N ATOM 436 CA ASP A 30 -5.804 0.932 5.900 1.00 0.00 C ATOM 437 C ASP A 30 -5.058 1.582 4.738 1.00 0.00 C ATOM 438 O ASP A 30 -5.578 1.670 3.625 1.00 0.00 O ATOM 439 CB ASP A 30 -6.356 2.010 6.834 1.00 0.00 C ATOM 440 CG ASP A 30 -6.953 1.428 8.100 1.00 0.00 C ATOM 441 OD1 ASP A 30 -6.177 1.064 9.008 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.196 1.337 8.183 1.00 0.00 O ATOM 0 H ASP A 30 -4.728 0.315 7.591 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.634 0.352 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.557 2.702 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.117 2.587 6.309 1.00 0.00 H new ATOM 447 N LYS A 31 -3.838 2.035 5.004 1.00 0.00 N ATOM 448 CA LYS A 31 -3.020 2.677 3.981 1.00 0.00 C ATOM 449 C LYS A 31 -1.545 2.646 4.367 1.00 0.00 C ATOM 450 O LYS A 31 -1.200 2.395 5.522 1.00 0.00 O ATOM 451 CB LYS A 31 -3.473 4.123 3.770 1.00 0.00 C ATOM 452 CG LYS A 31 -3.154 5.038 4.940 1.00 0.00 C ATOM 453 CD LYS A 31 -3.040 6.488 4.500 1.00 0.00 C ATOM 454 CE LYS A 31 -3.513 7.439 5.588 1.00 0.00 C ATOM 455 NZ LYS A 31 -2.453 7.691 6.603 1.00 0.00 N ATOM 0 H LYS A 31 -3.393 1.970 5.920 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.146 2.124 3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.997 4.516 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.548 4.136 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.933 4.947 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.220 4.723 5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.004 6.712 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.631 6.643 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.817 8.384 5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.393 7.022 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.814 8.344 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.181 6.793 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.622 8.113 6.140 1.00 0.00 H new ATOM 469 N LEU A 32 -0.678 2.905 3.394 1.00 0.00 N ATOM 470 CA LEU A 32 0.761 2.909 3.632 1.00 0.00 C ATOM 471 C LEU A 32 1.288 4.334 3.757 1.00 0.00 C ATOM 472 O LEU A 32 1.291 5.093 2.789 1.00 0.00 O ATOM 473 CB LEU A 32 1.487 2.182 2.498 1.00 0.00 C ATOM 474 CG LEU A 32 2.893 1.673 2.819 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.795 2.824 3.236 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.840 0.612 3.909 1.00 0.00 C ATOM 0 H LEU A 32 -0.947 3.115 2.433 1.00 0.00 H new ATOM 0 HA LEU A 32 0.951 2.388 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.877 1.333 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.552 2.856 1.644 1.00 0.00 H new ATOM 0 HG LEU A 32 3.309 1.220 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.791 2.443 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.858 3.549 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.383 3.306 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.849 0.261 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.404 1.039 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.229 -0.225 3.572 1.00 0.00 H new ATOM 488 N ASN A 33 1.736 4.691 4.957 1.00 0.00 N ATOM 489 CA ASN A 33 2.268 6.025 5.209 1.00 0.00 C ATOM 490 C ASN A 33 3.784 6.048 5.034 1.00 0.00 C ATOM 491 O ASN A 33 4.520 5.455 5.823 1.00 0.00 O ATOM 492 CB ASN A 33 1.899 6.485 6.620 1.00 0.00 C ATOM 493 CG ASN A 33 2.248 5.453 7.675 1.00 0.00 C ATOM 494 OD1 ASN A 33 1.666 4.369 7.715 1.00 0.00 O ATOM 495 ND2 ASN A 33 3.203 5.787 8.536 1.00 0.00 N ATOM 0 H ASN A 33 1.741 4.075 5.770 1.00 0.00 H new ATOM 0 HA ASN A 33 1.826 6.709 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.418 7.417 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.831 6.697 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.481 5.133 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.658 6.697 8.465 1.00 0.00 H new ATOM 502 N PHE A 34 4.243 6.738 3.996 1.00 0.00 N ATOM 503 CA PHE A 34 5.671 6.839 3.716 1.00 0.00 C ATOM 504 C PHE A 34 6.220 8.188 4.172 1.00 0.00 C ATOM 505 O PHE A 34 5.932 9.223 3.572 1.00 0.00 O ATOM 506 CB PHE A 34 5.935 6.648 2.221 1.00 0.00 C ATOM 507 CG PHE A 34 6.309 5.240 1.854 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.519 4.702 2.264 1.00 0.00 C ATOM 509 CD2 PHE A 34 5.452 4.455 1.100 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.866 3.408 1.927 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.794 3.160 0.761 1.00 0.00 C ATOM 512 CZ PHE A 34 7.002 2.635 1.175 1.00 0.00 C ATOM 0 H PHE A 34 3.647 7.236 3.334 1.00 0.00 H new ATOM 0 HA PHE A 34 6.181 6.052 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.044 6.936 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.736 7.320 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.198 5.301 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.506 4.860 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.812 3.001 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.117 2.559 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.271 1.623 0.912 1.00 0.00 H new ATOM 522 N SER A 35 7.013 8.167 5.239 1.00 0.00 N ATOM 523 CA SER A 35 7.600 9.388 5.779 1.00 0.00 C ATOM 524 C SER A 35 8.315 10.177 4.686 1.00 0.00 C ATOM 525 O SER A 35 8.420 9.726 3.545 1.00 0.00 O ATOM 526 CB SER A 35 8.579 9.053 6.905 1.00 0.00 C ATOM 527 OG SER A 35 9.594 8.173 6.454 1.00 0.00 O ATOM 0 H SER A 35 7.264 7.318 5.746 1.00 0.00 H new ATOM 0 HA SER A 35 6.794 10.003 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.030 9.970 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.040 8.597 7.736 1.00 0.00 H new ATOM 0 HG SER A 35 10.208 7.976 7.192 1.00 0.00 H new ATOM 533 N THR A 36 8.805 11.360 5.043 1.00 0.00 N ATOM 534 CA THR A 36 9.509 12.214 4.095 1.00 0.00 C ATOM 535 C THR A 36 10.638 11.456 3.406 1.00 0.00 C ATOM 536 O THR A 36 11.678 11.188 4.009 1.00 0.00 O ATOM 537 CB THR A 36 10.091 13.461 4.786 1.00 0.00 C ATOM 538 OG1 THR A 36 9.119 14.029 5.670 1.00 0.00 O ATOM 539 CG2 THR A 36 10.518 14.499 3.759 1.00 0.00 C ATOM 0 H THR A 36 8.727 11.749 5.983 1.00 0.00 H new ATOM 0 HA THR A 36 8.778 12.529 3.350 1.00 0.00 H new ATOM 0 HB THR A 36 10.968 13.157 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.497 14.821 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.926 15.371 4.271 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.279 14.073 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.655 14.798 3.164 1.00 0.00 H new ATOM 547 N CYS A 37 10.428 11.113 2.140 1.00 0.00 N ATOM 548 CA CYS A 37 11.429 10.385 1.368 1.00 0.00 C ATOM 549 C CYS A 37 11.922 11.222 0.192 1.00 0.00 C ATOM 550 O CYS A 37 11.303 12.210 -0.202 1.00 0.00 O ATOM 551 CB CYS A 37 10.850 9.063 0.862 1.00 0.00 C ATOM 552 SG CYS A 37 11.171 7.654 1.948 1.00 0.00 S ATOM 0 H CYS A 37 9.573 11.327 1.626 1.00 0.00 H new ATOM 0 HA CYS A 37 12.276 10.176 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.773 9.174 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.264 8.851 -0.123 1.00 0.00 H new ATOM 0 HG CYS A 37 10.042 7.146 2.345 1.00 0.00 H new ATOM 558 N PRO A 38 13.065 10.818 -0.383 1.00 0.00 N ATOM 559 CA PRO A 38 13.668 11.517 -1.522 1.00 0.00 C ATOM 560 C PRO A 38 12.853 11.354 -2.800 1.00 0.00 C ATOM 561 O PRO A 38 12.307 10.284 -3.067 1.00 0.00 O ATOM 562 CB PRO A 38 15.034 10.843 -1.669 1.00 0.00 C ATOM 563 CG PRO A 38 14.852 9.486 -1.081 1.00 0.00 C ATOM 564 CD PRO A 38 13.856 9.649 0.034 1.00 0.00 C ATOM 0 HA PRO A 38 13.724 12.593 -1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.336 10.784 -2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.809 11.401 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.488 8.782 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.797 9.093 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.233 8.762 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.349 9.818 0.991 1.00 0.00 H new ATOM 572 N VAL A 39 12.775 12.422 -3.587 1.00 0.00 N ATOM 573 CA VAL A 39 12.028 12.397 -4.839 1.00 0.00 C ATOM 574 C VAL A 39 12.699 11.487 -5.861 1.00 0.00 C ATOM 575 O VAL A 39 12.117 10.497 -6.306 1.00 0.00 O ATOM 576 CB VAL A 39 11.888 13.809 -5.438 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.239 14.507 -5.481 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.270 13.739 -6.827 1.00 0.00 C ATOM 0 H VAL A 39 13.220 13.316 -3.380 1.00 0.00 H new ATOM 0 HA VAL A 39 11.036 12.009 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 39 11.225 14.392 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.120 15.503 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.638 14.590 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.928 13.929 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.178 14.745 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.906 13.139 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.283 13.282 -6.763 1.00 0.00 H new ATOM 588 N LYS A 40 13.929 11.827 -6.230 1.00 0.00 N ATOM 589 CA LYS A 40 14.683 11.041 -7.199 1.00 0.00 C ATOM 590 C LYS A 40 14.890 9.614 -6.700 1.00 0.00 C ATOM 591 O LYS A 40 14.402 8.658 -7.304 1.00 0.00 O ATOM 592 CB LYS A 40 16.038 11.697 -7.476 1.00 0.00 C ATOM 593 CG LYS A 40 16.048 12.572 -8.717 1.00 0.00 C ATOM 594 CD LYS A 40 15.254 13.850 -8.504 1.00 0.00 C ATOM 595 CE LYS A 40 15.900 14.739 -7.452 1.00 0.00 C ATOM 596 NZ LYS A 40 15.412 16.143 -7.536 1.00 0.00 N ATOM 0 H LYS A 40 14.426 12.643 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 40 14.108 11.004 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.323 12.300 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.794 10.919 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.076 12.821 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.629 12.018 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.179 14.394 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.238 13.602 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.689 14.340 -6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.983 14.723 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.756 16.680 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.767 16.582 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.372 16.149 -7.543 1.00 0.00 H new ATOM 610 N TYR A 41 15.614 9.478 -5.595 1.00 0.00 N ATOM 611 CA TYR A 41 15.885 8.168 -5.015 1.00 0.00 C ATOM 612 C TYR A 41 14.593 7.381 -4.820 1.00 0.00 C ATOM 613 O TYR A 41 13.515 7.959 -4.682 1.00 0.00 O ATOM 614 CB TYR A 41 16.609 8.320 -3.676 1.00 0.00 C ATOM 615 CG TYR A 41 18.019 8.852 -3.808 1.00 0.00 C ATOM 616 CD1 TYR A 41 19.074 8.008 -4.131 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.295 10.199 -3.607 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.363 8.489 -4.251 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.581 10.689 -3.727 1.00 0.00 C ATOM 620 CZ TYR A 41 20.611 9.831 -4.049 1.00 0.00 C ATOM 621 OH TYR A 41 21.894 10.315 -4.167 1.00 0.00 O ATOM 0 H TYR A 41 16.024 10.259 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 41 16.524 7.618 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.035 8.990 -3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.640 7.351 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.883 6.957 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.491 10.874 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 41 21.172 7.819 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.779 11.739 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 41 21.897 11.280 -3.995 1.00 0.00 H new ATOM 631 N SER A 42 14.711 6.057 -4.810 1.00 0.00 N ATOM 632 CA SER A 42 13.553 5.188 -4.635 1.00 0.00 C ATOM 633 C SER A 42 13.333 4.865 -3.161 1.00 0.00 C ATOM 634 O SER A 42 14.272 4.876 -2.363 1.00 0.00 O ATOM 635 CB SER A 42 13.735 3.894 -5.431 1.00 0.00 C ATOM 636 OG SER A 42 12.697 2.971 -5.150 1.00 0.00 O ATOM 0 H SER A 42 15.596 5.563 -4.921 1.00 0.00 H new ATOM 0 HA SER A 42 12.675 5.715 -5.008 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.747 4.118 -6.498 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.699 3.447 -5.188 1.00 0.00 H new ATOM 0 HG SER A 42 12.697 2.262 -5.827 1.00 0.00 H new ATOM 642 N THR A 43 12.086 4.576 -2.804 1.00 0.00 N ATOM 643 CA THR A 43 11.741 4.250 -1.426 1.00 0.00 C ATOM 644 C THR A 43 11.142 2.852 -1.324 1.00 0.00 C ATOM 645 O THR A 43 10.511 2.368 -2.263 1.00 0.00 O ATOM 646 CB THR A 43 10.743 5.268 -0.841 1.00 0.00 C ATOM 647 OG1 THR A 43 11.386 6.533 -0.655 1.00 0.00 O ATOM 648 CG2 THR A 43 10.184 4.777 0.486 1.00 0.00 C ATOM 0 H THR A 43 11.297 4.561 -3.451 1.00 0.00 H new ATOM 0 HA THR A 43 12.667 4.288 -0.852 1.00 0.00 H new ATOM 0 HB THR A 43 9.918 5.380 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.566 6.671 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.482 5.512 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.669 3.828 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.000 4.638 1.195 1.00 0.00 H new ATOM 656 N GLN A 44 11.343 2.209 -0.179 1.00 0.00 N ATOM 657 CA GLN A 44 10.822 0.866 0.045 1.00 0.00 C ATOM 658 C GLN A 44 10.386 0.685 1.495 1.00 0.00 C ATOM 659 O GLN A 44 10.764 1.464 2.370 1.00 0.00 O ATOM 660 CB GLN A 44 11.878 -0.180 -0.318 1.00 0.00 C ATOM 661 CG GLN A 44 11.818 -0.629 -1.769 1.00 0.00 C ATOM 662 CD GLN A 44 13.187 -0.939 -2.341 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.801 -1.950 -1.999 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.673 -0.069 -3.219 1.00 0.00 N ATOM 0 H GLN A 44 11.863 2.596 0.608 1.00 0.00 H new ATOM 0 HA GLN A 44 9.951 0.730 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.867 0.229 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.753 -1.049 0.328 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.187 -1.515 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.346 0.151 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.130 0.756 -3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.589 -0.226 -3.639 1.00 0.00 H new ATOM 673 N LYS A 45 9.588 -0.348 1.743 1.00 0.00 N ATOM 674 CA LYS A 45 9.101 -0.634 3.087 1.00 0.00 C ATOM 675 C LYS A 45 8.623 -2.078 3.197 1.00 0.00 C ATOM 676 O LYS A 45 8.283 -2.707 2.195 1.00 0.00 O ATOM 677 CB LYS A 45 7.962 0.321 3.452 1.00 0.00 C ATOM 678 CG LYS A 45 7.795 0.526 4.948 1.00 0.00 C ATOM 679 CD LYS A 45 6.900 1.716 5.251 1.00 0.00 C ATOM 680 CE LYS A 45 7.676 3.023 5.208 1.00 0.00 C ATOM 681 NZ LYS A 45 8.467 3.240 6.451 1.00 0.00 N ATOM 0 H LYS A 45 9.265 -1.002 1.030 1.00 0.00 H new ATOM 0 HA LYS A 45 9.926 -0.489 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.143 1.286 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.029 -0.065 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.370 -0.373 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.772 0.678 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.084 1.752 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.449 1.592 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.345 3.020 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.983 3.853 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.955 4.157 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.830 3.235 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.170 2.480 6.553 1.00 0.00 H new ATOM 695 N ILE A 46 8.598 -2.596 4.421 1.00 0.00 N ATOM 696 CA ILE A 46 8.159 -3.965 4.661 1.00 0.00 C ATOM 697 C ILE A 46 6.773 -3.994 5.296 1.00 0.00 C ATOM 698 O ILE A 46 6.478 -3.217 6.205 1.00 0.00 O ATOM 699 CB ILE A 46 9.145 -4.721 5.571 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.522 -4.804 4.910 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.617 -6.113 5.883 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.531 -5.610 3.630 1.00 0.00 C ATOM 0 H ILE A 46 8.876 -2.088 5.261 1.00 0.00 H new ATOM 0 HA ILE A 46 8.122 -4.460 3.690 1.00 0.00 H new ATOM 0 HB ILE A 46 9.245 -4.173 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.875 -3.795 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.227 -5.247 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.325 -6.635 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.656 -6.032 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.491 -6.671 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.540 -5.626 3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.209 -6.630 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.851 -5.156 2.909 1.00 0.00 H new ATOM 714 N LEU A 47 5.926 -4.897 4.814 1.00 0.00 N ATOM 715 CA LEU A 47 4.570 -5.030 5.336 1.00 0.00 C ATOM 716 C LEU A 47 4.287 -6.469 5.756 1.00 0.00 C ATOM 717 O LEU A 47 4.133 -7.354 4.914 1.00 0.00 O ATOM 718 CB LEU A 47 3.552 -4.584 4.285 1.00 0.00 C ATOM 719 CG LEU A 47 2.152 -5.185 4.410 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.460 -4.671 5.662 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.324 -4.869 3.173 1.00 0.00 C ATOM 0 H LEU A 47 6.154 -5.548 4.063 1.00 0.00 H new ATOM 0 HA LEU A 47 4.481 -4.390 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.465 -3.498 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.945 -4.832 3.299 1.00 0.00 H new ATOM 0 HG LEU A 47 2.248 -6.268 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.465 -5.110 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.043 -4.949 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.375 -3.586 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.330 -5.305 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.236 -3.788 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.811 -5.287 2.292 1.00 0.00 H new ATOM 733 N LEU A 48 4.219 -6.695 7.063 1.00 0.00 N ATOM 734 CA LEU A 48 3.951 -8.026 7.596 1.00 0.00 C ATOM 735 C LEU A 48 2.486 -8.405 7.406 1.00 0.00 C ATOM 736 O LEU A 48 1.597 -7.559 7.502 1.00 0.00 O ATOM 737 CB LEU A 48 4.316 -8.086 9.081 1.00 0.00 C ATOM 738 CG LEU A 48 4.548 -9.482 9.660 1.00 0.00 C ATOM 739 CD1 LEU A 48 6.015 -9.868 9.551 1.00 0.00 C ATOM 740 CD2 LEU A 48 4.085 -9.542 11.108 1.00 0.00 C ATOM 0 H LEU A 48 4.346 -5.974 7.773 1.00 0.00 H new ATOM 0 HA LEU A 48 4.566 -8.740 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.219 -7.495 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.519 -7.606 9.650 1.00 0.00 H new ATOM 0 HG LEU A 48 3.962 -10.196 9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.161 -10.864 9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.315 -9.866 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.622 -9.151 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.258 -10.543 11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.644 -8.816 11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.021 -9.310 11.160 1.00 0.00 H new ATOM 752 N VAL A 49 2.241 -9.684 7.136 1.00 0.00 N ATOM 753 CA VAL A 49 0.884 -10.176 6.935 1.00 0.00 C ATOM 754 C VAL A 49 0.708 -11.564 7.540 1.00 0.00 C ATOM 755 O VAL A 49 1.475 -12.482 7.248 1.00 0.00 O ATOM 756 CB VAL A 49 0.522 -10.231 5.438 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.967 -10.479 5.258 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.945 -8.946 4.742 1.00 0.00 C ATOM 0 H VAL A 49 2.965 -10.397 7.052 1.00 0.00 H new ATOM 0 HA VAL A 49 0.216 -9.476 7.437 1.00 0.00 H new ATOM 0 HB VAL A 49 1.062 -11.060 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.204 -10.515 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.237 -11.428 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.530 -9.673 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.682 -9.001 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.434 -8.099 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.023 -8.816 4.842 1.00 0.00 H new ATOM 768 N ARG A 50 -0.308 -11.711 8.384 1.00 0.00 N ATOM 769 CA ARG A 50 -0.586 -12.988 9.031 1.00 0.00 C ATOM 770 C ARG A 50 -1.953 -13.523 8.616 1.00 0.00 C ATOM 771 O ARG A 50 -2.977 -12.878 8.840 1.00 0.00 O ATOM 772 CB ARG A 50 -0.526 -12.836 10.552 1.00 0.00 C ATOM 773 CG ARG A 50 -0.726 -14.143 11.303 1.00 0.00 C ATOM 774 CD ARG A 50 -1.364 -13.912 12.663 1.00 0.00 C ATOM 775 NE ARG A 50 -0.365 -13.703 13.708 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.609 -13.047 14.838 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.813 -12.540 15.067 1.00 0.00 N ATOM 778 NH2 ARG A 50 0.351 -12.898 15.741 1.00 0.00 N ATOM 0 H ARG A 50 -0.952 -10.962 8.636 1.00 0.00 H new ATOM 0 HA ARG A 50 0.175 -13.701 8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.439 -12.412 10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.289 -12.125 10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.355 -14.810 10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.235 -14.641 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.022 -13.045 12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.986 -14.769 12.922 1.00 0.00 H new ATOM 0 HE ARG A 50 0.571 -14.081 13.563 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.554 -12.653 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.998 -12.037 15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.278 -13.287 15.569 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.162 -12.394 16.608 1.00 0.00 H new ATOM 792 N ASN A 51 -1.961 -14.705 8.008 1.00 0.00 N ATOM 793 CA ASN A 51 -3.202 -15.326 7.560 1.00 0.00 C ATOM 794 C ASN A 51 -4.165 -15.520 8.728 1.00 0.00 C ATOM 795 O ASN A 51 -3.889 -16.283 9.654 1.00 0.00 O ATOM 796 CB ASN A 51 -2.912 -16.673 6.895 1.00 0.00 C ATOM 797 CG ASN A 51 -4.177 -17.446 6.578 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.093 -17.522 7.398 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.234 -18.025 5.384 1.00 0.00 N ATOM 0 H ASN A 51 -1.122 -15.252 7.814 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.669 -14.662 6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.351 -16.508 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.279 -17.270 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.060 -18.559 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.451 -17.936 4.736 1.00 0.00 H new ATOM 806 N ILE A 52 -5.296 -14.825 8.676 1.00 0.00 N ATOM 807 CA ILE A 52 -6.301 -14.922 9.727 1.00 0.00 C ATOM 808 C ILE A 52 -7.454 -15.826 9.304 1.00 0.00 C ATOM 809 O ILE A 52 -8.186 -16.350 10.143 1.00 0.00 O ATOM 810 CB ILE A 52 -6.861 -13.537 10.101 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.440 -12.846 8.865 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.774 -12.680 10.733 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.175 -11.562 9.179 1.00 0.00 C ATOM 0 H ILE A 52 -5.539 -14.188 7.917 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.805 -15.352 10.598 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.662 -13.669 10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.631 -12.631 8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.122 -13.531 8.361 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.185 -11.704 10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.403 -13.169 11.634 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.954 -12.553 10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.558 -11.127 8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.005 -11.773 9.853 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.492 -10.859 9.655 1.00 0.00 H new ATOM 825 N GLY A 53 -7.608 -16.006 7.996 1.00 0.00 N ATOM 826 CA GLY A 53 -8.673 -16.849 7.483 1.00 0.00 C ATOM 827 C GLY A 53 -8.650 -18.241 8.083 1.00 0.00 C ATOM 828 O GLY A 53 -7.911 -18.503 9.031 1.00 0.00 O ATOM 0 H GLY A 53 -7.015 -15.583 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.635 -16.382 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.584 -16.922 6.399 1.00 0.00 H new ATOM 832 N ASN A 54 -9.464 -19.135 7.531 1.00 0.00 N ATOM 833 CA ASN A 54 -9.535 -20.508 8.019 1.00 0.00 C ATOM 834 C ASN A 54 -8.812 -21.460 7.072 1.00 0.00 C ATOM 835 O ASN A 54 -8.274 -22.484 7.495 1.00 0.00 O ATOM 836 CB ASN A 54 -10.995 -20.939 8.178 1.00 0.00 C ATOM 837 CG ASN A 54 -11.153 -22.447 8.202 1.00 0.00 C ATOM 838 OD1 ASN A 54 -10.425 -23.147 8.907 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.107 -22.954 7.431 1.00 0.00 N ATOM 0 H ASN A 54 -10.083 -18.934 6.746 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.043 -20.548 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.396 -20.520 9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.584 -20.528 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.261 -23.962 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.686 -22.336 6.863 1.00 0.00 H new ATOM 846 N LYS A 55 -8.803 -21.117 5.789 1.00 0.00 N ATOM 847 CA LYS A 55 -8.145 -21.939 4.781 1.00 0.00 C ATOM 848 C LYS A 55 -7.094 -21.134 4.024 1.00 0.00 C ATOM 849 O LYS A 55 -6.957 -19.928 4.227 1.00 0.00 O ATOM 850 CB LYS A 55 -9.175 -22.502 3.800 1.00 0.00 C ATOM 851 CG LYS A 55 -8.867 -23.916 3.339 1.00 0.00 C ATOM 852 CD LYS A 55 -9.348 -24.157 1.918 1.00 0.00 C ATOM 853 CE LYS A 55 -10.802 -24.604 1.890 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.340 -24.655 0.503 1.00 0.00 N ATOM 0 H LYS A 55 -9.245 -20.274 5.422 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.648 -22.765 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.158 -22.488 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.230 -21.849 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.793 -24.092 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.343 -24.630 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.236 -23.243 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.724 -24.915 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.888 -25.589 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.404 -23.920 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.333 -24.964 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.282 -23.710 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.782 -25.327 -0.061 1.00 0.00 H new ATOM 868 N ASN A 56 -6.354 -21.809 3.149 1.00 0.00 N ATOM 869 CA ASN A 56 -5.316 -21.155 2.360 1.00 0.00 C ATOM 870 C ASN A 56 -5.873 -19.935 1.633 1.00 0.00 C ATOM 871 O ASN A 56 -6.863 -20.029 0.909 1.00 0.00 O ATOM 872 CB ASN A 56 -4.720 -22.137 1.350 1.00 0.00 C ATOM 873 CG ASN A 56 -5.537 -22.223 0.075 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.730 -22.527 0.109 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.898 -21.954 -1.057 1.00 0.00 N ATOM 0 H ASN A 56 -6.454 -22.808 2.969 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.532 -20.823 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.703 -21.831 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.655 -23.126 1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.396 -21.995 -1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.909 -21.706 -1.038 1.00 0.00 H new ATOM 882 N ALA A 57 -5.228 -18.790 1.831 1.00 0.00 N ATOM 883 CA ALA A 57 -5.657 -17.551 1.193 1.00 0.00 C ATOM 884 C ALA A 57 -4.734 -17.182 0.037 1.00 0.00 C ATOM 885 O ALA A 57 -3.510 -17.219 0.169 1.00 0.00 O ATOM 886 CB ALA A 57 -5.707 -16.422 2.211 1.00 0.00 C ATOM 0 H ALA A 57 -4.407 -18.695 2.428 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.658 -17.706 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.029 -15.504 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.412 -16.677 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.716 -16.276 2.641 1.00 0.00 H new ATOM 892 N VAL A 58 -5.327 -16.827 -1.098 1.00 0.00 N ATOM 893 CA VAL A 58 -4.558 -16.450 -2.278 1.00 0.00 C ATOM 894 C VAL A 58 -4.900 -15.035 -2.729 1.00 0.00 C ATOM 895 O VAL A 58 -5.949 -14.799 -3.330 1.00 0.00 O ATOM 896 CB VAL A 58 -4.809 -17.423 -3.446 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.033 -16.988 -4.680 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.437 -18.843 -3.045 1.00 0.00 C ATOM 0 H VAL A 58 -6.338 -16.793 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.506 -16.494 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.871 -17.405 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.223 -17.687 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.353 -15.989 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.967 -16.975 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.621 -19.517 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.382 -18.880 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.042 -19.150 -2.192 1.00 0.00 H new ATOM 908 N PHE A 59 -4.008 -14.095 -2.435 1.00 0.00 N ATOM 909 CA PHE A 59 -4.215 -12.700 -2.810 1.00 0.00 C ATOM 910 C PHE A 59 -3.286 -12.300 -3.952 1.00 0.00 C ATOM 911 O PHE A 59 -2.132 -12.728 -4.008 1.00 0.00 O ATOM 912 CB PHE A 59 -3.982 -11.787 -1.604 1.00 0.00 C ATOM 913 CG PHE A 59 -2.660 -12.011 -0.928 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.464 -13.110 -0.107 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.613 -11.123 -1.113 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.249 -13.320 0.516 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.395 -11.328 -0.493 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.213 -12.427 0.324 1.00 0.00 C ATOM 0 H PHE A 59 -3.135 -14.273 -1.938 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.245 -12.589 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.044 -10.748 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.782 -11.943 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.271 -13.811 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.750 -10.261 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.109 -14.181 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.414 -10.629 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.737 -12.588 0.811 1.00 0.00 H new ATOM 928 N HIS A 60 -3.798 -11.478 -4.863 1.00 0.00 N ATOM 929 CA HIS A 60 -3.015 -11.020 -6.005 1.00 0.00 C ATOM 930 C HIS A 60 -3.124 -9.506 -6.166 1.00 0.00 C ATOM 931 O HIS A 60 -4.156 -8.991 -6.597 1.00 0.00 O ATOM 932 CB HIS A 60 -3.484 -11.715 -7.283 1.00 0.00 C ATOM 933 CG HIS A 60 -2.629 -11.414 -8.476 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.617 -12.199 -9.610 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.756 -10.407 -8.708 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.772 -11.688 -10.487 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.237 -10.599 -9.965 1.00 0.00 N ATOM 0 H HIS A 60 -4.751 -11.116 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.971 -11.275 -5.824 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.496 -12.792 -7.118 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.510 -11.413 -7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.512 -9.602 -8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.555 -12.092 -11.465 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.550 -9.998 -10.421 1.00 0.00 H new ATOM 946 N ILE A 61 -2.054 -8.800 -5.816 1.00 0.00 N ATOM 947 CA ILE A 61 -2.030 -7.347 -5.922 1.00 0.00 C ATOM 948 C ILE A 61 -1.554 -6.904 -7.301 1.00 0.00 C ATOM 949 O ILE A 61 -0.721 -7.563 -7.924 1.00 0.00 O ATOM 950 CB ILE A 61 -1.118 -6.719 -4.851 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.506 -7.224 -3.460 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.198 -5.201 -4.911 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.348 -7.267 -2.488 1.00 0.00 C ATOM 0 H ILE A 61 -1.192 -9.211 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.052 -7.003 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.089 -7.017 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.287 -6.581 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.931 -8.224 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.548 -4.772 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.878 -4.858 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.225 -4.883 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.697 -7.635 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.425 -7.933 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.063 -6.265 -2.368 1.00 0.00 H new ATOM 965 N LYS A 62 -2.088 -5.783 -7.773 1.00 0.00 N ATOM 966 CA LYS A 62 -1.717 -5.248 -9.078 1.00 0.00 C ATOM 967 C LYS A 62 -1.463 -3.746 -8.999 1.00 0.00 C ATOM 968 O LYS A 62 -2.316 -2.985 -8.541 1.00 0.00 O ATOM 969 CB LYS A 62 -2.817 -5.537 -10.102 1.00 0.00 C ATOM 970 CG LYS A 62 -2.646 -6.863 -10.821 1.00 0.00 C ATOM 971 CD LYS A 62 -3.204 -6.808 -12.233 1.00 0.00 C ATOM 972 CE LYS A 62 -2.583 -7.877 -13.120 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.138 -7.618 -13.371 1.00 0.00 N ATOM 0 H LYS A 62 -2.780 -5.227 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.796 -5.738 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.783 -5.529 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.836 -4.734 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.588 -7.125 -10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.150 -7.650 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.285 -6.941 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.016 -5.824 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.701 -8.853 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.116 -7.915 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.842 -8.112 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.983 -6.596 -13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.578 -7.965 -12.566 1.00 0.00 H new ATOM 987 N THR A 63 -0.285 -3.325 -9.449 1.00 0.00 N ATOM 988 CA THR A 63 0.081 -1.914 -9.429 1.00 0.00 C ATOM 989 C THR A 63 1.153 -1.610 -10.469 1.00 0.00 C ATOM 990 O THR A 63 1.795 -2.518 -10.996 1.00 0.00 O ATOM 991 CB THR A 63 0.592 -1.486 -8.040 1.00 0.00 C ATOM 992 OG1 THR A 63 0.731 -0.062 -7.987 1.00 0.00 O ATOM 993 CG2 THR A 63 1.929 -2.143 -7.730 1.00 0.00 C ATOM 0 H THR A 63 0.432 -3.941 -9.832 1.00 0.00 H new ATOM 0 HA THR A 63 -0.821 -1.350 -9.665 1.00 0.00 H new ATOM 0 HB THR A 63 -0.135 -1.808 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.638 0.189 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.270 -1.826 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.814 -3.227 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.662 -1.847 -8.480 1.00 0.00 H new ATOM 1001 N CYS A 64 1.341 -0.327 -10.759 1.00 0.00 N ATOM 1002 CA CYS A 64 2.336 0.098 -11.737 1.00 0.00 C ATOM 1003 C CYS A 64 3.133 1.291 -11.220 1.00 0.00 C ATOM 1004 O CYS A 64 2.685 2.007 -10.324 1.00 0.00 O ATOM 1005 CB CYS A 64 1.660 0.456 -13.061 1.00 0.00 C ATOM 1006 SG CYS A 64 0.498 1.837 -12.947 1.00 0.00 S ATOM 0 H CYS A 64 0.818 0.437 -10.331 1.00 0.00 H new ATOM 0 HA CYS A 64 3.024 -0.731 -11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.428 0.701 -13.794 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.131 -0.420 -13.435 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.020 2.066 -14.117 1.00 0.00 H new ATOM 1012 N ARG A 65 4.316 1.497 -11.789 1.00 0.00 N ATOM 1013 CA ARG A 65 5.176 2.602 -11.383 1.00 0.00 C ATOM 1014 C ARG A 65 4.414 3.923 -11.409 1.00 0.00 C ATOM 1015 O ARG A 65 3.430 4.086 -12.131 1.00 0.00 O ATOM 1016 CB ARG A 65 6.398 2.688 -12.299 1.00 0.00 C ATOM 1017 CG ARG A 65 6.088 3.250 -13.677 1.00 0.00 C ATOM 1018 CD ARG A 65 7.250 3.047 -14.636 1.00 0.00 C ATOM 1019 NE ARG A 65 6.918 3.465 -15.996 1.00 0.00 N ATOM 1020 CZ ARG A 65 7.776 3.423 -17.008 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.013 2.985 -16.816 1.00 0.00 N ATOM 1022 NH2 ARG A 65 7.399 3.820 -18.217 1.00 0.00 N ATOM 0 H ARG A 65 4.701 0.914 -12.532 1.00 0.00 H new ATOM 0 HA ARG A 65 5.508 2.414 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.155 3.312 -11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.829 1.693 -12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.197 2.766 -14.076 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.864 4.314 -13.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.113 3.612 -14.284 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.537 1.995 -14.640 1.00 0.00 H new ATOM 0 HE ARG A 65 5.975 3.808 -16.178 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.308 2.679 -15.889 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.670 2.954 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.449 4.158 -18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.059 3.787 -18.994 1.00 0.00 H new ATOM 1036 N PRO A 66 4.876 4.890 -10.602 1.00 0.00 N ATOM 1037 CA PRO A 66 6.045 4.707 -9.737 1.00 0.00 C ATOM 1038 C PRO A 66 5.771 3.743 -8.588 1.00 0.00 C ATOM 1039 O PRO A 66 6.648 3.476 -7.765 1.00 0.00 O ATOM 1040 CB PRO A 66 6.314 6.115 -9.201 1.00 0.00 C ATOM 1041 CG PRO A 66 4.995 6.804 -9.270 1.00 0.00 C ATOM 1042 CD PRO A 66 4.292 6.235 -10.471 1.00 0.00 C ATOM 0 HA PRO A 66 6.887 4.274 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.692 6.084 -8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.062 6.631 -9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.417 6.632 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.123 7.882 -9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.213 6.192 -10.322 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.467 6.838 -11.362 1.00 0.00 H new ATOM 1050 N PHE A 67 4.550 3.222 -8.537 1.00 0.00 N ATOM 1051 CA PHE A 67 4.160 2.287 -7.487 1.00 0.00 C ATOM 1052 C PHE A 67 4.331 0.844 -7.953 1.00 0.00 C ATOM 1053 O PHE A 67 3.691 0.410 -8.910 1.00 0.00 O ATOM 1054 CB PHE A 67 2.708 2.532 -7.071 1.00 0.00 C ATOM 1055 CG PHE A 67 2.561 3.558 -5.984 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.217 3.404 -4.774 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.766 4.677 -6.173 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.084 4.347 -3.772 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.630 5.624 -5.175 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.289 5.457 -3.972 1.00 0.00 C ATOM 0 H PHE A 67 3.813 3.431 -9.210 1.00 0.00 H new ATOM 0 HA PHE A 67 4.810 2.452 -6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.138 2.854 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.271 1.592 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.840 2.537 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.247 4.811 -7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.602 4.215 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.009 6.493 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.182 6.194 -3.190 1.00 0.00 H new ATOM 1070 N SER A 68 5.200 0.107 -7.270 1.00 0.00 N ATOM 1071 CA SER A 68 5.460 -1.285 -7.615 1.00 0.00 C ATOM 1072 C SER A 68 5.914 -2.074 -6.390 1.00 0.00 C ATOM 1073 O SER A 68 6.773 -1.623 -5.632 1.00 0.00 O ATOM 1074 CB SER A 68 6.522 -1.371 -8.713 1.00 0.00 C ATOM 1075 OG SER A 68 6.151 -0.602 -9.843 1.00 0.00 O ATOM 0 H SER A 68 5.736 0.451 -6.474 1.00 0.00 H new ATOM 0 HA SER A 68 4.531 -1.721 -7.982 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.478 -1.018 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.662 -2.411 -9.007 1.00 0.00 H new ATOM 0 HG SER A 68 6.847 -0.672 -10.529 1.00 0.00 H new ATOM 1081 N ILE A 69 5.330 -3.253 -6.204 1.00 0.00 N ATOM 1082 CA ILE A 69 5.674 -4.104 -5.072 1.00 0.00 C ATOM 1083 C ILE A 69 5.846 -5.555 -5.508 1.00 0.00 C ATOM 1084 O ILE A 69 5.561 -5.907 -6.652 1.00 0.00 O ATOM 1085 CB ILE A 69 4.602 -4.036 -3.969 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.525 -5.097 -4.207 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.982 -2.647 -3.919 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.758 -4.901 -5.496 1.00 0.00 C ATOM 0 H ILE A 69 4.617 -3.640 -6.822 1.00 0.00 H new ATOM 0 HA ILE A 69 6.618 -3.732 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 69 5.077 -4.237 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.993 -6.082 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.825 -5.086 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.226 -2.614 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.757 -1.910 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.519 -2.421 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.012 -5.689 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.261 -3.931 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.447 -4.942 -6.339 1.00 0.00 H new ATOM 1100 N GLU A 70 6.314 -6.393 -4.588 1.00 0.00 N ATOM 1101 CA GLU A 70 6.523 -7.807 -4.879 1.00 0.00 C ATOM 1102 C GLU A 70 6.791 -8.591 -3.597 1.00 0.00 C ATOM 1103 O GLU A 70 7.308 -8.063 -2.613 1.00 0.00 O ATOM 1104 CB GLU A 70 7.690 -7.983 -5.851 1.00 0.00 C ATOM 1105 CG GLU A 70 9.035 -7.583 -5.268 1.00 0.00 C ATOM 1106 CD GLU A 70 9.320 -6.102 -5.420 1.00 0.00 C ATOM 1107 OE1 GLU A 70 8.614 -5.293 -4.782 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.250 -5.752 -6.176 1.00 0.00 O ATOM 0 H GLU A 70 6.555 -6.118 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 70 5.615 -8.196 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.736 -9.026 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.500 -7.389 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.062 -7.848 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.824 -8.153 -5.759 1.00 0.00 H new ATOM 1115 N PRO A 71 6.430 -9.883 -3.609 1.00 0.00 N ATOM 1116 CA PRO A 71 5.813 -10.522 -4.775 1.00 0.00 C ATOM 1117 C PRO A 71 4.394 -10.023 -5.027 1.00 0.00 C ATOM 1118 O PRO A 71 3.570 -9.980 -4.114 1.00 0.00 O ATOM 1119 CB PRO A 71 5.799 -12.006 -4.400 1.00 0.00 C ATOM 1120 CG PRO A 71 5.798 -12.021 -2.910 1.00 0.00 C ATOM 1121 CD PRO A 71 6.597 -10.819 -2.485 1.00 0.00 C ATOM 0 HA PRO A 71 6.358 -10.305 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.918 -12.507 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.671 -12.524 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.781 -11.972 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.242 -12.940 -2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.223 -10.397 -1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.645 -11.070 -2.324 1.00 0.00 H new ATOM 1129 N ALA A 72 4.117 -9.646 -6.271 1.00 0.00 N ATOM 1130 CA ALA A 72 2.797 -9.151 -6.642 1.00 0.00 C ATOM 1131 C ALA A 72 1.703 -10.114 -6.192 1.00 0.00 C ATOM 1132 O ALA A 72 0.548 -9.722 -6.026 1.00 0.00 O ATOM 1133 CB ALA A 72 2.721 -8.929 -8.146 1.00 0.00 C ATOM 0 H ALA A 72 4.788 -9.674 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 72 2.637 -8.199 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.730 -8.559 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.472 -8.198 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.906 -9.871 -8.663 1.00 0.00 H new ATOM 1139 N ILE A 73 2.075 -11.375 -5.996 1.00 0.00 N ATOM 1140 CA ILE A 73 1.125 -12.392 -5.565 1.00 0.00 C ATOM 1141 C ILE A 73 1.791 -13.412 -4.647 1.00 0.00 C ATOM 1142 O ILE A 73 2.992 -13.659 -4.745 1.00 0.00 O ATOM 1143 CB ILE A 73 0.503 -13.128 -6.767 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.389 -14.274 -6.285 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.594 -13.651 -7.689 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.298 -14.825 -7.361 1.00 0.00 C ATOM 0 H ILE A 73 3.027 -11.716 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 73 0.336 -11.875 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.113 -12.424 -7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.241 -15.079 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.997 -13.924 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.139 -14.169 -8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.193 -12.817 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.233 -14.343 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.901 -15.634 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.953 -14.033 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.696 -15.206 -8.186 1.00 0.00 H new ATOM 1158 N GLY A 74 1.001 -14.004 -3.757 1.00 0.00 N ATOM 1159 CA GLY A 74 1.531 -14.992 -2.835 1.00 0.00 C ATOM 1160 C GLY A 74 0.441 -15.812 -2.174 1.00 0.00 C ATOM 1161 O GLY A 74 -0.745 -15.506 -2.307 1.00 0.00 O ATOM 0 H GLY A 74 0.003 -13.817 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.208 -15.658 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.119 -14.489 -2.067 1.00 0.00 H new ATOM 1165 N THR A 75 0.841 -16.860 -1.461 1.00 0.00 N ATOM 1166 CA THR A 75 -0.111 -17.729 -0.779 1.00 0.00 C ATOM 1167 C THR A 75 0.309 -17.977 0.665 1.00 0.00 C ATOM 1168 O THR A 75 1.302 -18.656 0.926 1.00 0.00 O ATOM 1169 CB THR A 75 -0.252 -19.083 -1.500 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.043 -19.639 -1.756 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.008 -18.922 -2.811 1.00 0.00 C ATOM 0 H THR A 75 1.818 -17.128 -1.341 1.00 0.00 H new ATOM 0 HA THR A 75 -1.073 -17.217 -0.792 1.00 0.00 H new ATOM 0 HB THR A 75 -0.815 -19.757 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.617 -19.506 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.095 -19.891 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.004 -18.526 -2.611 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.468 -18.233 -3.460 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.454 -17.423 1.601 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.163 -17.584 3.021 1.00 0.00 C ATOM 1181 C LEU A 76 -1.044 -18.665 3.639 1.00 0.00 C ATOM 1182 O LEU A 76 -2.162 -18.903 3.183 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.367 -16.260 3.758 1.00 0.00 C ATOM 1184 CG LEU A 76 0.465 -16.061 5.025 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.946 -16.218 4.722 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.186 -14.696 5.638 1.00 0.00 C ATOM 0 H LEU A 76 -1.279 -16.858 1.402 1.00 0.00 H new ATOM 0 HA LEU A 76 0.878 -17.890 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.143 -15.446 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.421 -16.173 4.022 1.00 0.00 H new ATOM 0 HG LEU A 76 0.180 -16.826 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.522 -16.073 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.133 -17.218 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.247 -15.476 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.787 -14.572 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.442 -13.916 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.871 -14.621 5.894 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.534 -19.314 4.680 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.276 -20.368 5.362 1.00 0.00 C ATOM 1200 C ASN A 77 -1.691 -19.924 6.761 1.00 0.00 C ATOM 1201 O ASN A 77 -0.965 -19.190 7.432 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.432 -21.641 5.448 1.00 0.00 C ATOM 1203 CG ASN A 77 0.105 -22.071 4.097 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.544 -21.878 3.068 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.297 -22.657 4.093 1.00 0.00 N ATOM 0 H ASN A 77 0.390 -19.129 5.070 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.177 -20.576 4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.401 -21.476 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.035 -22.446 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.710 -22.967 3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.800 -22.797 4.970 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.864 -20.374 7.196 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.375 -20.025 8.516 1.00 0.00 C ATOM 1214 C VAL A 78 -2.376 -20.394 9.607 1.00 0.00 C ATOM 1215 O VAL A 78 -1.872 -21.515 9.648 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.715 -20.728 8.803 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.206 -20.392 10.203 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.752 -20.344 7.759 1.00 0.00 C ATOM 0 H VAL A 78 -3.478 -20.981 6.653 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.531 -18.946 8.520 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.559 -21.805 8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.154 -20.898 10.387 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.470 -20.722 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.347 -19.315 10.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.693 -20.850 7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.907 -19.265 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.401 -20.641 6.771 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.096 -19.442 10.492 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.159 -19.686 11.572 1.00 0.00 C ATOM 1230 C GLY A 79 0.271 -19.365 11.184 1.00 0.00 C ATOM 1231 O GLY A 79 1.211 -19.964 11.704 1.00 0.00 O ATOM 0 H GLY A 79 -2.502 -18.506 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.441 -19.085 12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.224 -20.731 11.876 1.00 0.00 H new ATOM 1235 N GLU A 80 0.435 -18.417 10.266 1.00 0.00 N ATOM 1236 CA GLU A 80 1.760 -18.020 9.806 1.00 0.00 C ATOM 1237 C GLU A 80 1.759 -16.572 9.325 1.00 0.00 C ATOM 1238 O GLU A 80 0.703 -15.991 9.075 1.00 0.00 O ATOM 1239 CB GLU A 80 2.232 -18.943 8.680 1.00 0.00 C ATOM 1240 CG GLU A 80 2.318 -20.404 9.086 1.00 0.00 C ATOM 1241 CD GLU A 80 3.383 -20.656 10.136 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.302 -19.821 10.262 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.295 -21.689 10.833 1.00 0.00 O ATOM 0 H GLU A 80 -0.333 -17.910 9.827 1.00 0.00 H new ATOM 0 HA GLU A 80 2.448 -18.104 10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.550 -18.849 7.835 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.212 -18.612 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.351 -20.728 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.531 -21.010 8.205 1.00 0.00 H new ATOM 1250 N SER A 81 2.949 -15.995 9.199 1.00 0.00 N ATOM 1251 CA SER A 81 3.086 -14.614 8.753 1.00 0.00 C ATOM 1252 C SER A 81 4.034 -14.519 7.561 1.00 0.00 C ATOM 1253 O SER A 81 4.657 -15.506 7.170 1.00 0.00 O ATOM 1254 CB SER A 81 3.596 -13.734 9.896 1.00 0.00 C ATOM 1255 OG SER A 81 2.950 -14.058 11.115 1.00 0.00 O ATOM 0 H SER A 81 3.833 -16.463 9.400 1.00 0.00 H new ATOM 0 HA SER A 81 2.103 -14.260 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.673 -13.863 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.423 -12.685 9.657 1.00 0.00 H new ATOM 0 HG SER A 81 3.294 -13.483 11.830 1.00 0.00 H new ATOM 1261 N MET A 82 4.139 -13.324 6.990 1.00 0.00 N ATOM 1262 CA MET A 82 5.012 -13.099 5.844 1.00 0.00 C ATOM 1263 C MET A 82 5.424 -11.633 5.753 1.00 0.00 C ATOM 1264 O MET A 82 4.918 -10.791 6.494 1.00 0.00 O ATOM 1265 CB MET A 82 4.313 -13.526 4.551 1.00 0.00 C ATOM 1266 CG MET A 82 3.162 -12.616 4.155 1.00 0.00 C ATOM 1267 SD MET A 82 2.095 -13.353 2.902 1.00 0.00 S ATOM 1268 CE MET A 82 3.038 -13.021 1.416 1.00 0.00 C ATOM 0 H MET A 82 3.631 -12.497 7.302 1.00 0.00 H new ATOM 0 HA MET A 82 5.910 -13.702 5.979 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.044 -13.547 3.742 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.938 -14.543 4.669 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.569 -12.381 5.039 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.561 -11.674 3.779 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.394 -12.549 0.674 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.868 -12.355 1.653 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.427 -13.957 1.015 1.00 0.00 H new ATOM 1278 N GLN A 83 6.344 -11.337 4.841 1.00 0.00 N ATOM 1279 CA GLN A 83 6.823 -9.972 4.655 1.00 0.00 C ATOM 1280 C GLN A 83 6.731 -9.557 3.190 1.00 0.00 C ATOM 1281 O GLN A 83 7.288 -10.217 2.312 1.00 0.00 O ATOM 1282 CB GLN A 83 8.266 -9.845 5.145 1.00 0.00 C ATOM 1283 CG GLN A 83 8.396 -9.828 6.659 1.00 0.00 C ATOM 1284 CD GLN A 83 9.816 -10.079 7.126 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.107 -11.103 7.746 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.711 -9.144 6.829 1.00 0.00 N ATOM 0 H GLN A 83 6.772 -12.023 4.220 1.00 0.00 H new ATOM 0 HA GLN A 83 6.188 -9.308 5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.850 -10.675 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.699 -8.930 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.058 -8.863 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.738 -10.586 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.426 -8.311 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.683 -9.259 7.116 1.00 0.00 H new ATOM 1295 N LEU A 84 6.026 -8.461 2.934 1.00 0.00 N ATOM 1296 CA LEU A 84 5.862 -7.958 1.574 1.00 0.00 C ATOM 1297 C LEU A 84 6.620 -6.649 1.382 1.00 0.00 C ATOM 1298 O LEU A 84 6.487 -5.721 2.179 1.00 0.00 O ATOM 1299 CB LEU A 84 4.378 -7.752 1.262 1.00 0.00 C ATOM 1300 CG LEU A 84 3.487 -8.988 1.390 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.023 -8.584 1.473 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.716 -9.934 0.221 1.00 0.00 C ATOM 0 H LEU A 84 5.559 -7.904 3.649 1.00 0.00 H new ATOM 0 HA LEU A 84 6.273 -8.698 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.991 -6.980 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.291 -7.370 0.245 1.00 0.00 H new ATOM 0 HG LEU A 84 3.751 -9.509 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.404 -9.476 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.870 -7.946 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.744 -8.039 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.074 -10.808 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.480 -9.423 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.759 -10.250 0.208 1.00 0.00 H new ATOM 1314 N GLU A 85 7.415 -6.582 0.319 1.00 0.00 N ATOM 1315 CA GLU A 85 8.194 -5.385 0.022 1.00 0.00 C ATOM 1316 C GLU A 85 7.467 -4.499 -0.985 1.00 0.00 C ATOM 1317 O GLU A 85 6.978 -4.975 -2.010 1.00 0.00 O ATOM 1318 CB GLU A 85 9.572 -5.768 -0.521 1.00 0.00 C ATOM 1319 CG GLU A 85 10.603 -6.028 0.565 1.00 0.00 C ATOM 1320 CD GLU A 85 11.803 -6.803 0.056 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.325 -6.449 -1.021 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.219 -7.764 0.737 1.00 0.00 O ATOM 0 H GLU A 85 7.537 -7.342 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 85 8.319 -4.825 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.475 -6.661 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.933 -4.969 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.938 -5.077 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.136 -6.582 1.379 1.00 0.00 H new ATOM 1329 N VAL A 86 7.398 -3.206 -0.685 1.00 0.00 N ATOM 1330 CA VAL A 86 6.732 -2.251 -1.564 1.00 0.00 C ATOM 1331 C VAL A 86 7.696 -1.165 -2.028 1.00 0.00 C ATOM 1332 O VAL A 86 8.171 -0.361 -1.227 1.00 0.00 O ATOM 1333 CB VAL A 86 5.529 -1.590 -0.864 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.967 -0.464 -1.719 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.457 -2.625 -0.558 1.00 0.00 C ATOM 0 H VAL A 86 7.795 -2.795 0.160 1.00 0.00 H new ATOM 0 HA VAL A 86 6.378 -2.811 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 86 5.869 -1.163 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.118 -0.009 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.738 0.289 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.641 -0.864 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.615 -2.141 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.118 -3.083 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.869 -3.393 0.096 1.00 0.00 H new ATOM 1345 N GLU A 87 7.980 -1.149 -3.326 1.00 0.00 N ATOM 1346 CA GLU A 87 8.888 -0.161 -3.897 1.00 0.00 C ATOM 1347 C GLU A 87 8.111 0.985 -4.538 1.00 0.00 C ATOM 1348 O GLU A 87 7.146 0.763 -5.269 1.00 0.00 O ATOM 1349 CB GLU A 87 9.802 -0.816 -4.934 1.00 0.00 C ATOM 1350 CG GLU A 87 11.087 -0.044 -5.186 1.00 0.00 C ATOM 1351 CD GLU A 87 11.729 -0.398 -6.513 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.606 -1.566 -6.939 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.356 0.491 -7.126 1.00 0.00 O ATOM 0 H GLU A 87 7.595 -1.809 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 87 9.498 0.244 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.052 -1.823 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.258 -0.917 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.875 1.025 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.792 -0.246 -4.380 1.00 0.00 H new ATOM 1360 N PHE A 88 8.540 2.212 -4.259 1.00 0.00 N ATOM 1361 CA PHE A 88 7.885 3.394 -4.806 1.00 0.00 C ATOM 1362 C PHE A 88 8.859 4.566 -4.888 1.00 0.00 C ATOM 1363 O PHE A 88 9.278 5.110 -3.868 1.00 0.00 O ATOM 1364 CB PHE A 88 6.678 3.778 -3.948 1.00 0.00 C ATOM 1365 CG PHE A 88 6.330 5.237 -4.022 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.649 5.746 -5.116 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.685 6.100 -2.997 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.327 7.088 -5.186 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.365 7.443 -3.063 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.686 7.938 -4.159 1.00 0.00 C ATOM 0 H PHE A 88 9.339 2.413 -3.657 1.00 0.00 H new ATOM 0 HA PHE A 88 7.544 3.156 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.816 3.191 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.881 3.513 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.367 5.086 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.217 5.719 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.795 7.472 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.646 8.105 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.436 8.987 -4.213 1.00 0.00 H new ATOM 1380 N GLU A 89 9.213 4.948 -6.111 1.00 0.00 N ATOM 1381 CA GLU A 89 10.138 6.055 -6.327 1.00 0.00 C ATOM 1382 C GLU A 89 9.439 7.223 -7.016 1.00 0.00 C ATOM 1383 O GLU A 89 9.208 7.214 -8.225 1.00 0.00 O ATOM 1384 CB GLU A 89 11.333 5.594 -7.165 1.00 0.00 C ATOM 1385 CG GLU A 89 12.294 6.715 -7.523 1.00 0.00 C ATOM 1386 CD GLU A 89 11.835 7.516 -8.727 1.00 0.00 C ATOM 1387 OE1 GLU A 89 11.603 6.904 -9.791 1.00 0.00 O ATOM 1388 OE2 GLU A 89 11.708 8.752 -8.605 1.00 0.00 O ATOM 0 H GLU A 89 8.874 4.508 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 89 10.494 6.392 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.875 4.824 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.967 5.134 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.403 7.382 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.279 6.293 -7.726 1.00 0.00 H new ATOM 1395 N PRO A 90 9.092 8.252 -6.229 1.00 0.00 N ATOM 1396 CA PRO A 90 8.414 9.446 -6.741 1.00 0.00 C ATOM 1397 C PRO A 90 9.323 10.298 -7.620 1.00 0.00 C ATOM 1398 O PRO A 90 10.016 11.189 -7.130 1.00 0.00 O ATOM 1399 CB PRO A 90 8.031 10.209 -5.470 1.00 0.00 C ATOM 1400 CG PRO A 90 9.018 9.761 -4.448 1.00 0.00 C ATOM 1401 CD PRO A 90 9.336 8.329 -4.779 1.00 0.00 C ATOM 0 HA PRO A 90 7.564 9.191 -7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.082 11.287 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.011 9.979 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.917 10.377 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.605 9.847 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.368 8.079 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.699 7.638 -4.227 1.00 0.00 H new ATOM 1409 N GLN A 91 9.316 10.017 -8.919 1.00 0.00 N ATOM 1410 CA GLN A 91 10.141 10.758 -9.865 1.00 0.00 C ATOM 1411 C GLN A 91 9.844 12.252 -9.793 1.00 0.00 C ATOM 1412 O GLN A 91 10.720 13.082 -10.035 1.00 0.00 O ATOM 1413 CB GLN A 91 9.907 10.247 -11.288 1.00 0.00 C ATOM 1414 CG GLN A 91 11.107 10.425 -12.203 1.00 0.00 C ATOM 1415 CD GLN A 91 11.990 9.193 -12.254 1.00 0.00 C ATOM 1416 OE1 GLN A 91 12.214 8.618 -13.320 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.499 8.781 -11.098 1.00 0.00 N ATOM 0 H GLN A 91 8.748 9.282 -9.340 1.00 0.00 H new ATOM 0 HA GLN A 91 11.186 10.601 -9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.646 9.190 -11.247 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.053 10.770 -11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.760 10.661 -13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.696 11.276 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.287 9.287 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.101 7.958 -11.070 1.00 0.00 H new ATOM 1426 N SER A 92 8.601 12.588 -9.460 1.00 0.00 N ATOM 1427 CA SER A 92 8.187 13.982 -9.361 1.00 0.00 C ATOM 1428 C SER A 92 8.080 14.414 -7.902 1.00 0.00 C ATOM 1429 O SER A 92 7.727 13.619 -7.031 1.00 0.00 O ATOM 1430 CB SER A 92 6.845 14.189 -10.066 1.00 0.00 C ATOM 1431 OG SER A 92 6.900 13.742 -11.410 1.00 0.00 O ATOM 0 H SER A 92 7.864 11.913 -9.254 1.00 0.00 H new ATOM 0 HA SER A 92 8.944 14.596 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.063 13.649 -9.532 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.577 15.245 -10.042 1.00 0.00 H new ATOM 0 HG SER A 92 6.030 13.884 -11.838 1.00 0.00 H new ATOM 1437 N VAL A 93 8.387 15.681 -7.642 1.00 0.00 N ATOM 1438 CA VAL A 93 8.325 16.221 -6.290 1.00 0.00 C ATOM 1439 C VAL A 93 6.903 16.633 -5.927 1.00 0.00 C ATOM 1440 O VAL A 93 6.215 17.286 -6.711 1.00 0.00 O ATOM 1441 CB VAL A 93 9.257 17.437 -6.127 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.255 17.923 -4.686 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.667 17.091 -6.580 1.00 0.00 C ATOM 0 H VAL A 93 8.681 16.353 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 93 8.653 15.428 -5.618 1.00 0.00 H new ATOM 0 HB VAL A 93 8.885 18.245 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.919 18.782 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.244 18.213 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.601 17.123 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.312 17.961 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.051 16.267 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.650 16.796 -7.629 1.00 0.00 H new ATOM 1453 N GLY A 94 6.467 16.246 -4.732 1.00 0.00 N ATOM 1454 CA GLY A 94 5.128 16.584 -4.285 1.00 0.00 C ATOM 1455 C GLY A 94 4.477 15.461 -3.503 1.00 0.00 C ATOM 1456 O GLY A 94 5.161 14.585 -2.976 1.00 0.00 O ATOM 0 H GLY A 94 7.017 15.704 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.171 17.478 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.510 16.826 -5.150 1.00 0.00 H new ATOM 1460 N ASP A 95 3.151 15.488 -3.426 1.00 0.00 N ATOM 1461 CA ASP A 95 2.406 14.464 -2.702 1.00 0.00 C ATOM 1462 C ASP A 95 1.862 13.408 -3.659 1.00 0.00 C ATOM 1463 O ASP A 95 1.092 13.718 -4.569 1.00 0.00 O ATOM 1464 CB ASP A 95 1.258 15.098 -1.916 1.00 0.00 C ATOM 1465 CG ASP A 95 0.425 16.038 -2.766 1.00 0.00 C ATOM 1466 OD1 ASP A 95 1.002 16.977 -3.353 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.804 15.834 -2.844 1.00 0.00 O ATOM 0 H ASP A 95 2.570 16.208 -3.856 1.00 0.00 H new ATOM 0 HA ASP A 95 3.089 13.978 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.618 14.312 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.663 15.645 -1.064 1.00 0.00 H new ATOM 1472 N HIS A 96 2.269 12.160 -3.448 1.00 0.00 N ATOM 1473 CA HIS A 96 1.822 11.058 -4.293 1.00 0.00 C ATOM 1474 C HIS A 96 0.955 10.084 -3.502 1.00 0.00 C ATOM 1475 O HIS A 96 1.382 9.547 -2.479 1.00 0.00 O ATOM 1476 CB HIS A 96 3.025 10.323 -4.886 1.00 0.00 C ATOM 1477 CG HIS A 96 3.964 11.217 -5.636 1.00 0.00 C ATOM 1478 ND1 HIS A 96 4.327 10.996 -6.947 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.613 12.340 -5.251 1.00 0.00 C ATOM 1480 CE1 HIS A 96 5.161 11.944 -7.337 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.351 12.772 -6.326 1.00 0.00 N ATOM 0 H HIS A 96 2.907 11.887 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 96 1.223 11.473 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.571 9.829 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.668 9.541 -5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.561 12.809 -4.280 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.610 12.027 -8.315 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.949 13.598 -6.341 1.00 0.00 H new ATOM 1490 N SER A 97 -0.265 9.861 -3.981 1.00 0.00 N ATOM 1491 CA SER A 97 -1.194 8.955 -3.316 1.00 0.00 C ATOM 1492 C SER A 97 -1.845 8.010 -4.321 1.00 0.00 C ATOM 1493 O SER A 97 -2.165 8.403 -5.442 1.00 0.00 O ATOM 1494 CB SER A 97 -2.271 9.750 -2.574 1.00 0.00 C ATOM 1495 OG SER A 97 -3.069 10.494 -3.478 1.00 0.00 O ATOM 0 H SER A 97 -0.633 10.296 -4.827 1.00 0.00 H new ATOM 0 HA SER A 97 -0.631 8.360 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.902 9.069 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.801 10.425 -1.858 1.00 0.00 H new ATOM 0 HG SER A 97 -3.750 10.992 -2.980 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.037 6.760 -3.910 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.649 5.778 -4.786 1.00 0.00 C ATOM 1503 C GLY A 98 -3.529 4.799 -4.034 1.00 0.00 C ATOM 1504 O GLY A 98 -4.047 5.116 -2.963 1.00 0.00 O ATOM 0 H GLY A 98 -1.780 6.410 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.244 6.291 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.869 5.229 -5.313 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.701 3.607 -4.596 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.528 2.581 -3.973 1.00 0.00 C ATOM 1510 C ARG A 99 -4.143 1.193 -4.477 1.00 0.00 C ATOM 1511 O ARG A 99 -4.093 0.950 -5.683 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.007 2.845 -4.256 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.941 2.284 -3.196 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.399 2.516 -3.558 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.897 3.787 -3.039 1.00 0.00 N ATOM 1516 CZ ARG A 99 -10.179 4.028 -2.790 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -11.088 3.088 -3.011 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -10.554 5.210 -2.318 1.00 0.00 N ATOM 0 H ARG A 99 -3.279 3.328 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.359 2.619 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.166 3.920 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.266 2.412 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.760 1.216 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.725 2.751 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.510 2.499 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.005 1.701 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.223 4.531 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.803 2.178 -3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.072 3.275 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.857 5.935 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.539 5.394 -2.127 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.870 0.286 -3.545 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.489 -1.079 -3.894 1.00 0.00 C ATOM 1534 C LEU A 100 -4.713 -1.986 -3.962 1.00 0.00 C ATOM 1535 O LEU A 100 -5.290 -2.344 -2.935 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.490 -1.627 -2.874 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.206 -0.816 -2.689 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.442 -1.298 -1.466 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.335 -0.906 -3.934 1.00 0.00 C ATOM 0 H LEU A 100 -3.905 0.471 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.020 -1.059 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.991 -1.702 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.217 -2.640 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.477 0.228 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.468 -0.710 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.065 -1.181 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.181 -2.349 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.574 -0.323 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.072 -1.947 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.882 -0.512 -4.790 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.103 -2.356 -5.178 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.256 -3.224 -5.378 1.00 0.00 C ATOM 1553 C ILE A 101 -5.845 -4.692 -5.379 1.00 0.00 C ATOM 1554 O ILE A 101 -5.238 -5.178 -6.333 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.978 -2.904 -6.701 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.310 -1.412 -6.777 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.242 -3.741 -6.830 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.128 -0.914 -5.606 1.00 0.00 C ATOM 0 H ILE A 101 -4.637 -2.068 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.937 -3.040 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.315 -3.152 -7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.381 -0.844 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.855 -1.216 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.741 -3.504 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.981 -4.799 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.911 -3.520 -5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.326 0.151 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.073 -1.456 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.576 -1.078 -4.681 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.182 -5.396 -4.303 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.851 -6.811 -4.180 1.00 0.00 C ATOM 1572 C VAL A 102 -6.962 -7.686 -4.748 1.00 0.00 C ATOM 1573 O VAL A 102 -8.145 -7.370 -4.615 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.603 -7.203 -2.711 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.110 -8.639 -2.618 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.613 -6.247 -2.064 1.00 0.00 C ATOM 0 H VAL A 102 -6.684 -5.010 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.937 -6.974 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.547 -7.132 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.940 -8.898 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.859 -9.309 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.177 -8.740 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.450 -6.539 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.667 -6.283 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.012 -5.233 -2.097 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.574 -8.788 -5.381 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.537 -9.711 -5.971 1.00 0.00 C ATOM 1588 C CYS A 103 -7.444 -11.085 -5.317 1.00 0.00 C ATOM 1589 O CYS A 103 -6.372 -11.688 -5.265 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.302 -9.832 -7.477 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.217 -8.626 -8.466 1.00 0.00 S ATOM 0 H CYS A 103 -5.599 -9.064 -5.499 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.537 -9.314 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.237 -9.718 -7.678 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.581 -10.836 -7.798 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.951 -8.807 -9.726 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.574 -11.574 -4.817 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.619 -12.876 -4.162 1.00 0.00 C ATOM 1599 C TYR A 104 -9.116 -13.952 -5.123 1.00 0.00 C ATOM 1600 O TYR A 104 -9.860 -13.667 -6.061 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.524 -12.820 -2.930 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.833 -12.287 -1.695 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.600 -10.926 -1.538 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.415 -13.144 -0.685 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.968 -10.436 -0.412 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.784 -12.662 0.446 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.563 -11.307 0.577 1.00 0.00 C ATOM 1608 OH TYR A 104 -6.934 -10.822 1.701 1.00 0.00 O ATOM 0 H TYR A 104 -9.470 -11.089 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.607 -13.132 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.388 -12.193 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.902 -13.821 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.918 -10.240 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.586 -14.206 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.792 -9.376 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.466 -13.342 1.222 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.603 -10.612 2.386 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.698 -15.190 -4.881 1.00 0.00 N ATOM 1619 CA ASP A 105 -9.101 -16.311 -5.722 1.00 0.00 C ATOM 1620 C ASP A 105 -10.611 -16.519 -5.665 1.00 0.00 C ATOM 1621 O ASP A 105 -11.241 -16.856 -6.667 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.381 -17.588 -5.287 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.514 -18.704 -6.304 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.436 -18.414 -7.517 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -8.696 -19.867 -5.888 1.00 0.00 O ATOM 0 H ASP A 105 -8.080 -15.442 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.823 -16.079 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.325 -17.370 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.785 -17.922 -4.331 1.00 0.00 H new ATOM 1630 N THR A 106 -11.187 -16.316 -4.484 1.00 0.00 N ATOM 1631 CA THR A 106 -12.622 -16.483 -4.294 1.00 0.00 C ATOM 1632 C THR A 106 -13.406 -15.448 -5.092 1.00 0.00 C ATOM 1633 O THR A 106 -14.471 -15.743 -5.633 1.00 0.00 O ATOM 1634 CB THR A 106 -13.009 -16.370 -2.808 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.427 -16.506 -2.659 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.559 -15.036 -2.231 1.00 0.00 C ATOM 0 H THR A 106 -10.681 -16.035 -3.644 1.00 0.00 H new ATOM 0 HA THR A 106 -12.874 -17.481 -4.652 1.00 0.00 H new ATOM 0 HB THR A 106 -12.508 -17.171 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.665 -16.434 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.844 -14.979 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.476 -14.948 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.035 -14.223 -2.780 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.872 -14.232 -5.162 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.536 -13.171 -5.896 1.00 0.00 C ATOM 1646 C GLY A 107 -13.775 -11.939 -5.047 1.00 0.00 C ATOM 1647 O GLY A 107 -14.855 -11.351 -5.086 1.00 0.00 O ATOM 0 H GLY A 107 -11.991 -13.963 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.932 -12.900 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.490 -13.538 -6.275 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.765 -11.549 -4.275 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.874 -10.380 -3.410 1.00 0.00 C ATOM 1653 C GLU A 108 -11.885 -9.297 -3.832 1.00 0.00 C ATOM 1654 O GLU A 108 -10.986 -9.540 -4.638 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.625 -10.772 -1.952 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.853 -11.331 -1.254 1.00 0.00 C ATOM 1657 CD GLU A 108 -15.106 -10.528 -1.544 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -15.232 -9.410 -1.001 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.960 -11.016 -2.314 1.00 0.00 O ATOM 0 H GLU A 108 -11.864 -12.025 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.885 -9.983 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.827 -11.514 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.273 -9.898 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.007 -12.363 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.678 -11.348 -0.178 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.058 -8.099 -3.283 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.182 -6.978 -3.601 1.00 0.00 C ATOM 1668 C LYS A 109 -10.819 -6.197 -2.341 1.00 0.00 C ATOM 1669 O LYS A 109 -11.591 -6.151 -1.383 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.856 -6.048 -4.613 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.875 -5.302 -5.501 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.577 -4.643 -6.676 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.254 -3.345 -6.264 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.399 -3.009 -7.154 1.00 0.00 N ATOM 0 H LYS A 109 -12.797 -7.880 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.266 -7.377 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.528 -6.633 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.470 -5.325 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.356 -4.544 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.118 -5.994 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.854 -4.443 -7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.319 -5.327 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.606 -3.430 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.527 -2.533 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.833 -2.118 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.060 -2.903 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.105 -3.771 -7.114 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.639 -5.584 -2.350 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.175 -4.803 -1.210 1.00 0.00 C ATOM 1690 C VAL A 110 -8.766 -3.398 -1.636 1.00 0.00 C ATOM 1691 O VAL A 110 -8.450 -3.158 -2.801 1.00 0.00 O ATOM 1692 CB VAL A 110 -7.983 -5.484 -0.511 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.567 -4.698 0.722 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.328 -6.920 -0.148 1.00 0.00 C ATOM 0 H VAL A 110 -8.987 -5.614 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.008 -4.739 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.140 -5.501 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.724 -5.194 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.276 -3.689 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.403 -4.646 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.475 -7.386 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.185 -6.929 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.572 -7.476 -1.053 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.773 -2.471 -0.683 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.403 -1.088 -0.960 1.00 0.00 C ATOM 1706 C PHE A 111 -7.420 -0.569 0.085 1.00 0.00 C ATOM 1707 O PHE A 111 -7.734 -0.507 1.274 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.649 -0.200 -0.989 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.627 -0.575 -2.065 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -10.266 -0.507 -3.401 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.907 -0.995 -1.742 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.165 -0.851 -4.394 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.810 -1.340 -2.730 1.00 0.00 C ATOM 1714 CZ PHE A 111 -12.437 -1.269 -4.058 1.00 0.00 C ATOM 0 H PHE A 111 -9.031 -2.653 0.287 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.920 -1.056 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.147 -0.255 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.344 0.837 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -9.272 -0.182 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.203 -1.054 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.872 -0.793 -5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.805 -1.664 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.139 -1.540 -4.832 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.226 -0.197 -0.368 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.196 0.317 0.527 1.00 0.00 C ATOM 1726 C VAL A 112 -4.550 1.574 -0.045 1.00 0.00 C ATOM 1727 O VAL A 112 -3.706 1.500 -0.938 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.102 -0.736 0.787 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.026 -0.173 1.703 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.709 -2.000 1.377 1.00 0.00 C ATOM 0 H VAL A 112 -5.949 -0.242 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.687 0.560 1.469 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.637 -0.994 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.262 -0.931 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.572 0.701 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.473 0.115 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.922 -2.733 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.202 -1.761 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.439 -2.413 0.680 1.00 0.00 H new ATOM 1740 N SER A 113 -4.952 2.729 0.477 1.00 0.00 N ATOM 1741 CA SER A 113 -4.414 4.004 0.017 1.00 0.00 C ATOM 1742 C SER A 113 -2.892 4.021 0.119 1.00 0.00 C ATOM 1743 O SER A 113 -2.312 3.419 1.024 1.00 0.00 O ATOM 1744 CB SER A 113 -5.005 5.155 0.834 1.00 0.00 C ATOM 1745 OG SER A 113 -6.420 5.150 0.773 1.00 0.00 O ATOM 0 H SER A 113 -5.648 2.808 1.218 1.00 0.00 H new ATOM 0 HA SER A 113 -4.691 4.131 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.682 5.071 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.625 6.105 0.458 1.00 0.00 H new ATOM 0 HG SER A 113 -6.773 5.894 1.304 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.251 4.714 -0.815 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.795 4.811 -0.831 1.00 0.00 C ATOM 1753 C LEU A 114 -0.341 6.236 -0.536 1.00 0.00 C ATOM 1754 O LEU A 114 -1.087 7.193 -0.745 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.250 4.360 -2.188 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.299 2.858 -2.465 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.130 2.565 -3.895 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.580 2.104 -1.478 1.00 0.00 C ATOM 0 H LEU A 114 -2.716 5.217 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.403 4.157 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.810 4.872 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.785 4.691 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.327 2.518 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.089 1.491 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.540 3.074 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.149 2.920 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.533 1.036 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.610 2.447 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.228 2.288 -0.463 1.00 0.00 H new ATOM 1770 N TYR A 115 0.888 6.371 -0.050 1.00 0.00 N ATOM 1771 CA TYR A 115 1.443 7.680 0.275 1.00 0.00 C ATOM 1772 C TYR A 115 2.956 7.693 0.085 1.00 0.00 C ATOM 1773 O TYR A 115 3.580 6.647 -0.091 1.00 0.00 O ATOM 1774 CB TYR A 115 1.095 8.061 1.715 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.068 9.022 1.822 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.093 10.373 1.539 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.327 8.578 2.206 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.967 11.254 1.638 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.393 9.452 2.306 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.208 10.789 2.021 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.266 11.663 2.118 1.00 0.00 O ATOM 0 H TYR A 115 1.519 5.590 0.128 1.00 0.00 H new ATOM 0 HA TYR A 115 1.004 8.411 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.860 7.156 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.970 8.509 2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.063 10.740 1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.475 7.532 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.825 12.301 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.365 9.090 2.606 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.069 11.175 2.398 1.00 0.00 H new ATOM 1791 N GLY A 116 3.541 8.886 0.123 1.00 0.00 N ATOM 1792 CA GLY A 116 4.977 9.015 -0.046 1.00 0.00 C ATOM 1793 C GLY A 116 5.390 10.418 -0.442 1.00 0.00 C ATOM 1794 O GLY A 116 5.929 10.631 -1.528 1.00 0.00 O ATOM 0 H GLY A 116 3.046 9.766 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.475 8.742 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.315 8.312 -0.807 1.00 0.00 H new ATOM 1798 N ALA A 117 5.137 11.380 0.440 1.00 0.00 N ATOM 1799 CA ALA A 117 5.487 12.770 0.176 1.00 0.00 C ATOM 1800 C ALA A 117 6.950 12.899 -0.234 1.00 0.00 C ATOM 1801 O ALA A 117 7.853 12.638 0.560 1.00 0.00 O ATOM 1802 CB ALA A 117 5.203 13.627 1.401 1.00 0.00 C ATOM 0 H ALA A 117 4.691 11.222 1.344 1.00 0.00 H new ATOM 0 HA ALA A 117 4.872 13.123 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.469 14.663 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.143 13.568 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.793 13.265 2.243 1.00 0.00 H new ATOM 1808 N ALA A 118 7.177 13.303 -1.480 1.00 0.00 N ATOM 1809 CA ALA A 118 8.530 13.468 -1.995 1.00 0.00 C ATOM 1810 C ALA A 118 8.980 14.921 -1.900 1.00 0.00 C ATOM 1811 O ALA A 118 8.164 15.840 -1.977 1.00 0.00 O ATOM 1812 CB ALA A 118 8.610 12.981 -3.435 1.00 0.00 C ATOM 0 H ALA A 118 6.441 13.522 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 118 9.201 12.867 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.626 13.110 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.339 11.926 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.922 13.558 -4.053 1.00 0.00 H new ATOM 1818 N ILE A 119 10.283 15.123 -1.732 1.00 0.00 N ATOM 1819 CA ILE A 119 10.841 16.465 -1.627 1.00 0.00 C ATOM 1820 C ILE A 119 12.074 16.619 -2.511 1.00 0.00 C ATOM 1821 O ILE A 119 12.749 15.640 -2.828 1.00 0.00 O ATOM 1822 CB ILE A 119 11.219 16.805 -0.173 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.179 15.754 0.386 1.00 0.00 C ATOM 1824 CG2 ILE A 119 9.970 16.903 0.690 1.00 0.00 C ATOM 1825 CD1 ILE A 119 12.698 16.084 1.768 1.00 0.00 C ATOM 0 H ILE A 119 10.972 14.374 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 119 10.068 17.156 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 119 11.722 17.772 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.671 14.790 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 119 13.024 15.647 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.254 17.144 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.319 17.686 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.441 15.950 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.373 15.295 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.235 17.032 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 119 11.861 16.162 2.462 1.00 0.00 H new ATOM 1837 N ASP A 120 12.362 17.855 -2.903 1.00 0.00 N ATOM 1838 CA ASP A 120 13.517 18.138 -3.749 1.00 0.00 C ATOM 1839 C ASP A 120 14.786 18.263 -2.911 1.00 0.00 C ATOM 1840 O ASP A 120 15.792 18.803 -3.369 1.00 0.00 O ATOM 1841 CB ASP A 120 13.288 19.423 -4.546 1.00 0.00 C ATOM 1842 CG ASP A 120 14.524 19.858 -5.309 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.248 18.977 -5.819 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.767 21.080 -5.398 1.00 0.00 O ATOM 0 H ASP A 120 11.813 18.676 -2.649 1.00 0.00 H new ATOM 0 HA ASP A 120 13.642 17.307 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.467 19.271 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.985 20.220 -3.867 1.00 0.00 H new