USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 945 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 61 SER OG : rot -69:sc= -0.957 USER MOD Set 1.2: A 68 GLN : amide:sc= -1.9! X(o=-2.9!,f=-3.2) USER MOD Set 2.1: A 32 MET CE :methyl -135:sc= -4.15! (180deg=-5!) USER MOD Set 2.2: A 34 CYS SG : rot -12:sc= -5.17! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 31 GLN : amide:sc= -4.63! C(o=-4.6!,f=-4.8!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 90:sc= 0.384 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.65 K(o=-3.7,f=-0.65) USER MOD Single : A 45 SER OG : rot 12:sc= 0.276 USER MOD Single : A 57 ASN : amide:sc= -0.742 K(o=-0.74,f=-4.3!) USER MOD Single : A 59 MET CE :methyl -150:sc= -1.01 (180deg=-1.34) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 69 SER OG : rot -13:sc= -0.103 USER MOD Single : A 73 MET CE :methyl 172:sc= -2.04 (180deg=-2.22) USER MOD Single : A 75 THR OG1 : rot -66:sc= -0.491 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -7.77! C(o=-7.8!,f=-13!) USER MOD Single : A 85 THR OG1 : rot -170:sc= -0.488 USER MOD Single : A 86 LYS NZ :NH3+ -144:sc= -0.464 (180deg=-2!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 91 MET CE :methyl 160:sc= -6.59! (180deg=-7.8!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc=-0.00399 (180deg=-0.125) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0011) USER MOD Single : A 100 SER OG : rot 180:sc= -0.188 USER MOD Single : A 102 HIS : no HE2:sc= -11.4! C(o=-11!,f=-9.4!) USER MOD Single : A 104 THR OG1 : rot 37:sc= 0.147 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 142:sc= -1.22 (180deg=-2.66!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= -0.0497 (180deg=-0.383) USER MOD Single : A 125 THR OG1 : rot 108:sc= -0.807 USER MOD Single : A 127 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HE2:sc= -2.96! C(o=-3!,f=-4.2!) USER MOD Single : A 134 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.53) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 -0.544 6.869 -11.325 1.00 0.00 N ATOM 365 CA SER A 27 0.309 8.037 -11.507 1.00 0.00 C ATOM 366 C SER A 27 1.528 7.968 -10.592 1.00 0.00 C ATOM 367 O SER A 27 1.457 7.436 -9.485 1.00 0.00 O ATOM 368 CB SER A 27 -0.480 9.318 -11.229 1.00 0.00 C ATOM 369 OG SER A 27 -1.105 9.799 -12.406 1.00 0.00 O ATOM 0 HA SER A 27 0.653 8.047 -12.541 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.234 9.126 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.189 10.081 -10.831 1.00 0.00 H new ATOM 0 HG SER A 27 -1.604 10.617 -12.201 1.00 0.00 H new ATOM 375 N ASN A 28 2.646 8.511 -11.064 1.00 0.00 N ATOM 376 CA ASN A 28 3.881 8.512 -10.289 1.00 0.00 C ATOM 377 C ASN A 28 4.232 9.922 -9.825 1.00 0.00 C ATOM 378 O ASN A 28 4.922 10.664 -10.525 1.00 0.00 O ATOM 379 CB ASN A 28 5.029 7.937 -11.122 1.00 0.00 C ATOM 380 CG ASN A 28 6.326 7.856 -10.339 1.00 0.00 C ATOM 381 OD1 ASN A 28 7.384 8.252 -10.828 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.249 7.339 -9.118 1.00 0.00 N ATOM 0 H ASN A 28 2.722 8.956 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 28 3.729 7.887 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.757 6.942 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.179 8.557 -12.006 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.089 7.257 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.350 7.024 -8.753 1.00 0.00 H new ATOM 389 N VAL A 29 3.752 10.287 -8.640 1.00 0.00 N ATOM 390 CA VAL A 29 4.016 11.607 -8.081 1.00 0.00 C ATOM 391 C VAL A 29 5.513 11.851 -7.932 1.00 0.00 C ATOM 392 O VAL A 29 6.099 12.655 -8.659 1.00 0.00 O ATOM 393 CB VAL A 29 3.339 11.782 -6.710 1.00 0.00 C ATOM 394 CG1 VAL A 29 3.334 13.246 -6.298 1.00 0.00 C ATOM 395 CG2 VAL A 29 1.924 11.223 -6.739 1.00 0.00 C ATOM 0 H VAL A 29 3.178 9.686 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 29 3.600 12.335 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 29 3.911 11.224 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.851 13.349 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.360 13.609 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.788 13.830 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.460 11.355 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.339 11.751 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.957 10.161 -6.984 1.00 0.00 H new ATOM 405 N LEU A 30 6.129 11.152 -6.985 1.00 0.00 N ATOM 406 CA LEU A 30 7.559 11.292 -6.738 1.00 0.00 C ATOM 407 C LEU A 30 8.200 9.935 -6.462 1.00 0.00 C ATOM 408 O LEU A 30 7.590 9.067 -5.838 1.00 0.00 O ATOM 409 CB LEU A 30 7.805 12.234 -5.558 1.00 0.00 C ATOM 410 CG LEU A 30 7.187 11.814 -4.225 1.00 0.00 C ATOM 411 CD1 LEU A 30 8.129 10.889 -3.468 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.850 13.037 -3.384 1.00 0.00 C ATOM 0 H LEU A 30 5.660 10.482 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 30 8.016 11.714 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.881 12.338 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.420 13.220 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 30 6.264 11.272 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.672 10.600 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.321 9.998 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.069 11.406 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.411 12.719 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.759 13.606 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.138 13.664 -3.922 1.00 0.00 H new ATOM 424 N GLN A 31 9.433 9.762 -6.929 1.00 0.00 N ATOM 425 CA GLN A 31 10.155 8.512 -6.730 1.00 0.00 C ATOM 426 C GLN A 31 11.590 8.776 -6.285 1.00 0.00 C ATOM 427 O GLN A 31 12.315 9.543 -6.918 1.00 0.00 O ATOM 428 CB GLN A 31 10.153 7.686 -8.017 1.00 0.00 C ATOM 429 CG GLN A 31 11.001 6.428 -7.936 1.00 0.00 C ATOM 430 CD GLN A 31 10.948 5.604 -9.207 1.00 0.00 C ATOM 431 OE1 GLN A 31 9.949 4.943 -9.490 1.00 0.00 O ATOM 432 NE2 GLN A 31 12.026 5.640 -9.983 1.00 0.00 N ATOM 0 H GLN A 31 9.951 10.471 -7.447 1.00 0.00 H new ATOM 0 HA GLN A 31 9.647 7.951 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.127 7.407 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.516 8.306 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.035 6.704 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.661 5.819 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.832 6.202 -9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.047 5.106 -10.852 1.00 0.00 H new ATOM 441 N MET A 32 11.992 8.138 -5.191 1.00 0.00 N ATOM 442 CA MET A 32 13.341 8.304 -4.662 1.00 0.00 C ATOM 443 C MET A 32 13.743 7.104 -3.810 1.00 0.00 C ATOM 444 O MET A 32 12.942 6.591 -3.030 1.00 0.00 O ATOM 445 CB MET A 32 13.432 9.586 -3.833 1.00 0.00 C ATOM 446 CG MET A 32 12.675 9.515 -2.517 1.00 0.00 C ATOM 447 SD MET A 32 13.681 8.857 -1.173 1.00 0.00 S ATOM 448 CE MET A 32 12.684 9.304 0.246 1.00 0.00 C ATOM 0 H MET A 32 11.403 7.502 -4.654 1.00 0.00 H new ATOM 0 HA MET A 32 14.029 8.375 -5.505 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.480 9.803 -3.628 1.00 0.00 H new ATOM 0 HB3 MET A 32 13.044 10.417 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.325 10.512 -2.249 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.791 8.890 -2.644 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.324 9.724 1.022 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.940 10.043 -0.050 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.181 8.417 0.631 1.00 0.00 H new ATOM 458 N GLN A 33 14.988 6.663 -3.967 1.00 0.00 N ATOM 459 CA GLN A 33 15.493 5.524 -3.211 1.00 0.00 C ATOM 460 C GLN A 33 15.490 5.817 -1.714 1.00 0.00 C ATOM 461 O GLN A 33 15.938 6.878 -1.280 1.00 0.00 O ATOM 462 CB GLN A 33 16.909 5.169 -3.670 1.00 0.00 C ATOM 463 CG GLN A 33 16.993 4.778 -5.137 1.00 0.00 C ATOM 464 CD GLN A 33 18.134 3.821 -5.421 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.303 4.158 -5.229 1.00 0.00 O ATOM 466 NE2 GLN A 33 17.800 2.622 -5.882 1.00 0.00 N ATOM 0 H GLN A 33 15.663 7.077 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 33 14.834 4.676 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.564 6.022 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.284 4.346 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 33 16.053 4.317 -5.441 1.00 0.00 H new ATOM 0 HG3 GLN A 33 17.118 5.676 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.818 2.386 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.525 1.936 -6.092 1.00 0.00 H new ATOM 475 N CYS A 34 14.983 4.870 -0.932 1.00 0.00 N ATOM 476 CA CYS A 34 14.920 5.028 0.516 1.00 0.00 C ATOM 477 C CYS A 34 15.116 3.688 1.218 1.00 0.00 C ATOM 478 O CYS A 34 15.207 2.644 0.572 1.00 0.00 O ATOM 479 CB CYS A 34 13.580 5.640 0.926 1.00 0.00 C ATOM 480 SG CYS A 34 13.662 6.676 2.406 1.00 0.00 S ATOM 0 H CYS A 34 14.610 3.985 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 34 15.725 5.698 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.197 6.237 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.863 4.837 1.097 1.00 0.00 H new ATOM 0 HG CYS A 34 14.810 6.506 2.992 1.00 0.00 H new ATOM 486 N LYS A 35 15.184 3.725 2.544 1.00 0.00 N ATOM 487 CA LYS A 35 15.371 2.515 3.335 1.00 0.00 C ATOM 488 C LYS A 35 14.215 2.319 4.312 1.00 0.00 C ATOM 489 O LYS A 35 13.867 3.228 5.068 1.00 0.00 O ATOM 490 CB LYS A 35 16.694 2.581 4.102 1.00 0.00 C ATOM 491 CG LYS A 35 17.917 2.621 3.202 1.00 0.00 C ATOM 492 CD LYS A 35 19.199 2.750 4.008 1.00 0.00 C ATOM 493 CE LYS A 35 19.756 1.387 4.390 1.00 0.00 C ATOM 494 NZ LYS A 35 20.997 1.504 5.205 1.00 0.00 N ATOM 0 H LYS A 35 15.112 4.581 3.094 1.00 0.00 H new ATOM 0 HA LYS A 35 15.395 1.666 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.692 3.466 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.766 1.716 4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.955 1.714 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.834 3.460 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.941 3.298 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.006 3.331 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.004 0.832 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.967 0.815 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.345 0.554 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.723 2.012 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.790 2.028 6.079 1.00 0.00 H new ATOM 508 N LEU A 36 13.626 1.129 4.292 1.00 0.00 N ATOM 509 CA LEU A 36 12.509 0.814 5.176 1.00 0.00 C ATOM 510 C LEU A 36 12.973 -0.034 6.357 1.00 0.00 C ATOM 511 O LEU A 36 13.578 -1.091 6.176 1.00 0.00 O ATOM 512 CB LEU A 36 11.414 0.076 4.404 1.00 0.00 C ATOM 513 CG LEU A 36 10.254 -0.467 5.240 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.248 0.634 5.536 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.580 -1.629 4.524 1.00 0.00 C ATOM 0 H LEU A 36 13.903 0.366 3.674 1.00 0.00 H new ATOM 0 HA LEU A 36 12.106 1.751 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.008 0.753 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.872 -0.757 3.870 1.00 0.00 H new ATOM 0 HG LEU A 36 10.653 -0.831 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.430 0.229 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.738 1.435 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.854 1.028 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.757 -2.003 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.195 -1.290 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.305 -2.427 4.364 1.00 0.00 H new ATOM 527 N PHE A 37 12.684 0.437 7.565 1.00 0.00 N ATOM 528 CA PHE A 37 13.070 -0.277 8.777 1.00 0.00 C ATOM 529 C PHE A 37 11.840 -0.732 9.556 1.00 0.00 C ATOM 530 O PHE A 37 10.896 0.035 9.750 1.00 0.00 O ATOM 531 CB PHE A 37 13.949 0.610 9.660 1.00 0.00 C ATOM 532 CG PHE A 37 15.215 1.058 8.988 1.00 0.00 C ATOM 533 CD1 PHE A 37 16.184 0.139 8.624 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.435 2.400 8.723 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.351 0.548 8.006 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.600 2.816 8.103 1.00 0.00 C ATOM 537 CZ PHE A 37 17.558 1.889 7.746 1.00 0.00 C ATOM 0 H PHE A 37 12.184 1.310 7.731 1.00 0.00 H new ATOM 0 HA PHE A 37 13.638 -1.160 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.378 1.488 9.963 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.203 0.066 10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 37 16.026 -0.910 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.689 3.129 9.003 1.00 0.00 H new ATOM 0 HE1 PHE A 37 18.099 -0.179 7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.759 3.864 7.899 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.469 2.212 7.264 1.00 0.00 H new ATOM 547 N VAL A 38 11.856 -1.984 10.001 1.00 0.00 N ATOM 548 CA VAL A 38 10.743 -2.542 10.758 1.00 0.00 C ATOM 549 C VAL A 38 11.133 -2.779 12.214 1.00 0.00 C ATOM 550 O VAL A 38 12.228 -3.259 12.503 1.00 0.00 O ATOM 551 CB VAL A 38 10.256 -3.869 10.147 1.00 0.00 C ATOM 552 CG1 VAL A 38 11.296 -4.961 10.343 1.00 0.00 C ATOM 553 CG2 VAL A 38 8.922 -4.277 10.755 1.00 0.00 C ATOM 0 H VAL A 38 12.629 -2.632 9.850 1.00 0.00 H new ATOM 0 HA VAL A 38 9.934 -1.813 10.714 1.00 0.00 H new ATOM 0 HB VAL A 38 10.113 -3.725 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.934 -5.891 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.227 -4.669 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.474 -5.107 11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.592 -5.217 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.036 -4.404 11.832 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.180 -3.503 10.558 1.00 0.00 H new ATOM 563 N PHE A 39 10.229 -2.437 13.126 1.00 0.00 N ATOM 564 CA PHE A 39 10.478 -2.611 14.552 1.00 0.00 C ATOM 565 C PHE A 39 10.003 -3.982 15.023 1.00 0.00 C ATOM 566 O PHE A 39 8.827 -4.323 14.891 1.00 0.00 O ATOM 567 CB PHE A 39 9.776 -1.513 15.352 1.00 0.00 C ATOM 568 CG PHE A 39 10.061 -1.568 16.825 1.00 0.00 C ATOM 569 CD1 PHE A 39 11.327 -1.284 17.310 1.00 0.00 C ATOM 570 CD2 PHE A 39 9.063 -1.905 17.726 1.00 0.00 C ATOM 571 CE1 PHE A 39 11.593 -1.335 18.665 1.00 0.00 C ATOM 572 CE2 PHE A 39 9.323 -1.957 19.083 1.00 0.00 C ATOM 573 CZ PHE A 39 10.588 -1.671 19.553 1.00 0.00 C ATOM 0 H PHE A 39 9.317 -2.038 12.903 1.00 0.00 H new ATOM 0 HA PHE A 39 11.553 -2.541 14.719 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.084 -0.541 14.967 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.700 -1.592 15.195 1.00 0.00 H new ATOM 0 HD1 PHE A 39 12.115 -1.020 16.621 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.071 -2.130 17.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 12.585 -1.113 19.030 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.536 -2.221 19.774 1.00 0.00 H new ATOM 0 HZ PHE A 39 10.793 -1.709 20.613 1.00 0.00 H new ATOM 583 N ASP A 40 10.925 -4.765 15.572 1.00 0.00 N ATOM 584 CA ASP A 40 10.601 -6.099 16.065 1.00 0.00 C ATOM 585 C ASP A 40 10.624 -6.136 17.590 1.00 0.00 C ATOM 586 O ASP A 40 11.680 -6.297 18.202 1.00 0.00 O ATOM 587 CB ASP A 40 11.586 -7.126 15.503 1.00 0.00 C ATOM 588 CG ASP A 40 11.171 -8.552 15.806 1.00 0.00 C ATOM 589 OD1 ASP A 40 10.019 -8.754 16.242 1.00 0.00 O ATOM 590 OD2 ASP A 40 11.998 -9.467 15.606 1.00 0.00 O ATOM 0 H ASP A 40 11.903 -4.499 15.687 1.00 0.00 H new ATOM 0 HA ASP A 40 9.595 -6.349 15.729 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.666 -6.996 14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.576 -6.942 15.921 1.00 0.00 H new ATOM 595 N LYS A 41 9.452 -5.985 18.197 1.00 0.00 N ATOM 596 CA LYS A 41 9.336 -6.001 19.651 1.00 0.00 C ATOM 597 C LYS A 41 10.278 -7.035 20.261 1.00 0.00 C ATOM 598 O LYS A 41 10.713 -6.896 21.404 1.00 0.00 O ATOM 599 CB LYS A 41 7.894 -6.303 20.064 1.00 0.00 C ATOM 600 CG LYS A 41 7.501 -5.687 21.396 1.00 0.00 C ATOM 601 CD LYS A 41 6.016 -5.367 21.447 1.00 0.00 C ATOM 602 CE LYS A 41 5.722 -3.991 20.871 1.00 0.00 C ATOM 603 NZ LYS A 41 4.450 -3.428 21.400 1.00 0.00 N ATOM 0 H LYS A 41 8.569 -5.850 17.705 1.00 0.00 H new ATOM 0 HA LYS A 41 9.616 -5.016 20.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.219 -5.937 19.291 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.759 -7.383 20.119 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.754 -6.374 22.204 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.076 -4.776 21.560 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.461 -6.122 20.890 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.668 -5.412 22.479 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.544 -3.315 21.107 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.666 -4.057 19.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.286 -2.490 20.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.662 -4.059 21.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.513 -3.341 22.434 1.00 0.00 H new ATOM 617 N THR A 42 10.590 -8.072 19.490 1.00 0.00 N ATOM 618 CA THR A 42 11.480 -9.129 19.953 1.00 0.00 C ATOM 619 C THR A 42 12.860 -8.575 20.291 1.00 0.00 C ATOM 620 O THR A 42 13.406 -8.854 21.358 1.00 0.00 O ATOM 621 CB THR A 42 11.629 -10.242 18.899 1.00 0.00 C ATOM 622 OG1 THR A 42 10.336 -10.706 18.492 1.00 0.00 O ATOM 623 CG2 THR A 42 12.442 -11.404 19.449 1.00 0.00 C ATOM 0 H THR A 42 10.239 -8.202 18.541 1.00 0.00 H new ATOM 0 HA THR A 42 11.030 -9.550 20.852 1.00 0.00 H new ATOM 0 HB THR A 42 12.154 -9.829 18.038 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.024 -10.177 17.729 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.533 -12.177 18.686 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.435 -11.053 19.730 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.941 -11.816 20.325 1.00 0.00 H new ATOM 631 N SER A 43 13.419 -7.791 19.375 1.00 0.00 N ATOM 632 CA SER A 43 14.737 -7.202 19.574 1.00 0.00 C ATOM 633 C SER A 43 14.623 -5.813 20.193 1.00 0.00 C ATOM 634 O SER A 43 15.547 -5.338 20.854 1.00 0.00 O ATOM 635 CB SER A 43 15.489 -7.120 18.245 1.00 0.00 C ATOM 636 OG SER A 43 15.544 -8.387 17.611 1.00 0.00 O ATOM 0 H SER A 43 12.979 -7.549 18.487 1.00 0.00 H new ATOM 0 HA SER A 43 15.294 -7.842 20.259 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.997 -6.402 17.589 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.500 -6.752 18.418 1.00 0.00 H new ATOM 0 HG SER A 43 16.028 -8.308 16.763 1.00 0.00 H new ATOM 642 N GLN A 44 13.483 -5.165 19.973 1.00 0.00 N ATOM 643 CA GLN A 44 13.248 -3.830 20.510 1.00 0.00 C ATOM 644 C GLN A 44 14.159 -2.806 19.839 1.00 0.00 C ATOM 645 O GLN A 44 14.633 -1.869 20.481 1.00 0.00 O ATOM 646 CB GLN A 44 13.473 -3.816 22.022 1.00 0.00 C ATOM 647 CG GLN A 44 12.833 -4.993 22.742 1.00 0.00 C ATOM 648 CD GLN A 44 11.418 -4.698 23.198 1.00 0.00 C ATOM 649 OE1 GLN A 44 11.118 -4.731 24.391 1.00 0.00 O ATOM 650 NE2 GLN A 44 10.537 -4.410 22.247 1.00 0.00 N ATOM 0 H GLN A 44 12.709 -5.543 19.427 1.00 0.00 H new ATOM 0 HA GLN A 44 12.212 -3.561 20.303 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.545 -3.817 22.222 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.073 -2.889 22.432 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.824 -5.858 22.079 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.441 -5.260 23.606 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.829 -4.394 21.270 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.569 -4.205 22.494 1.00 0.00 H new ATOM 659 N SER A 45 14.400 -2.994 18.546 1.00 0.00 N ATOM 660 CA SER A 45 15.259 -2.089 17.790 1.00 0.00 C ATOM 661 C SER A 45 14.829 -2.029 16.327 1.00 0.00 C ATOM 662 O SER A 45 14.024 -2.841 15.871 1.00 0.00 O ATOM 663 CB SER A 45 16.719 -2.537 17.885 1.00 0.00 C ATOM 664 OG SER A 45 17.290 -2.151 19.124 1.00 0.00 O ATOM 0 H SER A 45 14.013 -3.764 18.000 1.00 0.00 H new ATOM 0 HA SER A 45 15.164 -1.093 18.221 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.779 -3.620 17.775 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.291 -2.101 17.066 1.00 0.00 H new ATOM 0 HG SER A 45 16.582 -1.852 19.732 1.00 0.00 H new ATOM 670 N TRP A 46 15.372 -1.061 15.597 1.00 0.00 N ATOM 671 CA TRP A 46 15.046 -0.894 14.186 1.00 0.00 C ATOM 672 C TRP A 46 15.798 -1.906 13.329 1.00 0.00 C ATOM 673 O TRP A 46 17.006 -1.787 13.127 1.00 0.00 O ATOM 674 CB TRP A 46 15.379 0.527 13.729 1.00 0.00 C ATOM 675 CG TRP A 46 14.452 1.564 14.287 1.00 0.00 C ATOM 676 CD1 TRP A 46 14.775 2.574 15.148 1.00 0.00 C ATOM 677 CD2 TRP A 46 13.051 1.691 14.024 1.00 0.00 C ATOM 678 NE1 TRP A 46 13.659 3.321 15.437 1.00 0.00 N ATOM 679 CE2 TRP A 46 12.588 2.801 14.759 1.00 0.00 C ATOM 680 CE3 TRP A 46 12.142 0.977 13.238 1.00 0.00 C ATOM 681 CZ2 TRP A 46 11.257 3.209 14.731 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.822 1.384 13.211 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.389 2.491 13.953 1.00 0.00 C ATOM 0 H TRP A 46 16.040 -0.380 15.959 1.00 0.00 H new ATOM 0 HA TRP A 46 13.977 -1.066 14.064 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.400 0.766 14.025 1.00 0.00 H new ATOM 0 HB3 TRP A 46 15.345 0.568 12.640 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.763 2.758 15.544 1.00 0.00 H new ATOM 0 HE1 TRP A 46 13.632 4.131 16.056 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.466 0.123 12.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.921 4.062 15.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.111 0.839 12.607 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.350 2.784 13.910 1.00 0.00 H new ATOM 694 N VAL A 47 15.075 -2.902 12.826 1.00 0.00 N ATOM 695 CA VAL A 47 15.675 -3.935 11.989 1.00 0.00 C ATOM 696 C VAL A 47 15.301 -3.741 10.525 1.00 0.00 C ATOM 697 O VAL A 47 14.152 -3.442 10.201 1.00 0.00 O ATOM 698 CB VAL A 47 15.239 -5.343 12.437 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.790 -6.398 11.491 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.688 -5.610 13.866 1.00 0.00 C ATOM 0 H VAL A 47 14.074 -3.015 12.983 1.00 0.00 H new ATOM 0 HA VAL A 47 16.756 -3.845 12.100 1.00 0.00 H new ATOM 0 HB VAL A 47 14.151 -5.395 12.407 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.472 -7.386 11.823 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.415 -6.215 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.879 -6.350 11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.372 -6.609 14.166 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.774 -5.540 13.925 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.240 -4.872 14.532 1.00 0.00 H new ATOM 710 N GLU A 48 16.280 -3.914 9.642 1.00 0.00 N ATOM 711 CA GLU A 48 16.052 -3.757 8.210 1.00 0.00 C ATOM 712 C GLU A 48 14.931 -4.677 7.733 1.00 0.00 C ATOM 713 O GLU A 48 14.889 -5.856 8.086 1.00 0.00 O ATOM 714 CB GLU A 48 17.336 -4.054 7.432 1.00 0.00 C ATOM 715 CG GLU A 48 17.134 -4.120 5.927 1.00 0.00 C ATOM 716 CD GLU A 48 16.770 -5.512 5.448 1.00 0.00 C ATOM 717 OE1 GLU A 48 17.682 -6.354 5.319 1.00 0.00 O ATOM 718 OE2 GLU A 48 15.570 -5.758 5.201 1.00 0.00 O ATOM 0 H GLU A 48 17.237 -4.162 9.893 1.00 0.00 H new ATOM 0 HA GLU A 48 15.754 -2.725 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.074 -3.284 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.749 -5.002 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.347 -3.423 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.046 -3.795 5.427 1.00 0.00 H new ATOM 725 N ARG A 49 14.026 -4.129 6.930 1.00 0.00 N ATOM 726 CA ARG A 49 12.904 -4.899 6.405 1.00 0.00 C ATOM 727 C ARG A 49 12.964 -4.978 4.883 1.00 0.00 C ATOM 728 O ARG A 49 12.635 -6.006 4.291 1.00 0.00 O ATOM 729 CB ARG A 49 11.579 -4.270 6.843 1.00 0.00 C ATOM 730 CG ARG A 49 10.448 -5.275 6.986 1.00 0.00 C ATOM 731 CD ARG A 49 10.048 -5.859 5.640 1.00 0.00 C ATOM 732 NE ARG A 49 8.741 -6.510 5.692 1.00 0.00 N ATOM 733 CZ ARG A 49 8.549 -7.733 6.174 1.00 0.00 C ATOM 734 NH1 ARG A 49 9.573 -8.433 6.643 1.00 0.00 N ATOM 735 NH2 ARG A 49 7.331 -8.258 6.187 1.00 0.00 N ATOM 0 H ARG A 49 14.047 -3.155 6.628 1.00 0.00 H new ATOM 0 HA ARG A 49 12.969 -5.910 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.725 -3.761 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.289 -3.510 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.756 -6.078 7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.586 -4.791 7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.029 -5.066 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.800 -6.580 5.320 1.00 0.00 H new ATOM 0 HE ARG A 49 7.932 -5.998 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.511 -8.033 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.423 -9.372 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.541 -7.723 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.184 -9.197 6.557 1.00 0.00 H new ATOM 749 N GLY A 50 13.385 -3.885 4.254 1.00 0.00 N ATOM 750 CA GLY A 50 13.479 -3.852 2.806 1.00 0.00 C ATOM 751 C GLY A 50 14.030 -2.537 2.290 1.00 0.00 C ATOM 752 O GLY A 50 13.466 -1.475 2.553 1.00 0.00 O ATOM 0 H GLY A 50 13.663 -3.022 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.118 -4.668 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.491 -4.022 2.377 1.00 0.00 H new ATOM 756 N ARG A 51 15.136 -2.609 1.557 1.00 0.00 N ATOM 757 CA ARG A 51 15.765 -1.414 1.006 1.00 0.00 C ATOM 758 C ARG A 51 15.750 -1.446 -0.519 1.00 0.00 C ATOM 759 O ARG A 51 15.946 -2.495 -1.131 1.00 0.00 O ATOM 760 CB ARG A 51 17.205 -1.293 1.509 1.00 0.00 C ATOM 761 CG ARG A 51 18.082 -2.478 1.139 1.00 0.00 C ATOM 762 CD ARG A 51 19.342 -2.524 1.988 1.00 0.00 C ATOM 763 NE ARG A 51 20.345 -3.430 1.432 1.00 0.00 N ATOM 764 CZ ARG A 51 21.638 -3.363 1.723 1.00 0.00 C ATOM 765 NH1 ARG A 51 22.086 -2.439 2.561 1.00 0.00 N ATOM 766 NH2 ARG A 51 22.488 -4.224 1.177 1.00 0.00 N ATOM 0 H ARG A 51 15.615 -3.481 1.331 1.00 0.00 H new ATOM 0 HA ARG A 51 15.195 -0.547 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.647 -0.384 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.194 -1.185 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.520 -3.403 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.354 -2.416 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 51 19.763 -1.522 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.087 -2.842 2.999 1.00 0.00 H new ATOM 0 HE ARG A 51 20.034 -4.154 0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.436 -1.777 2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 51 23.080 -2.390 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 22.148 -4.938 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 23.482 -4.172 1.401 1.00 0.00 H new ATOM 780 N GLY A 52 15.514 -0.288 -1.128 1.00 0.00 N ATOM 781 CA GLY A 52 15.476 -0.205 -2.576 1.00 0.00 C ATOM 782 C GLY A 52 14.914 1.114 -3.068 1.00 0.00 C ATOM 783 O GLY A 52 15.476 2.177 -2.795 1.00 0.00 O ATOM 0 H GLY A 52 15.348 0.594 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.483 -0.337 -2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.871 -1.023 -2.968 1.00 0.00 H new ATOM 787 N LEU A 53 13.805 1.049 -3.795 1.00 0.00 N ATOM 788 CA LEU A 53 13.167 2.249 -4.327 1.00 0.00 C ATOM 789 C LEU A 53 11.815 2.486 -3.663 1.00 0.00 C ATOM 790 O LEU A 53 11.142 1.543 -3.246 1.00 0.00 O ATOM 791 CB LEU A 53 12.990 2.126 -5.842 1.00 0.00 C ATOM 792 CG LEU A 53 12.147 3.214 -6.508 1.00 0.00 C ATOM 793 CD1 LEU A 53 12.833 4.566 -6.395 1.00 0.00 C ATOM 794 CD2 LEU A 53 11.886 2.866 -7.967 1.00 0.00 C ATOM 0 H LEU A 53 13.328 0.179 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 53 13.811 3.101 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.977 2.125 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.536 1.159 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 53 11.189 3.273 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.218 5.327 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.968 4.819 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.805 4.523 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.285 3.651 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.835 2.780 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.351 1.918 -8.025 1.00 0.00 H new ATOM 806 N LEU A 54 11.422 3.751 -3.570 1.00 0.00 N ATOM 807 CA LEU A 54 10.148 4.114 -2.959 1.00 0.00 C ATOM 808 C LEU A 54 9.489 5.264 -3.714 1.00 0.00 C ATOM 809 O LEU A 54 10.130 6.270 -4.015 1.00 0.00 O ATOM 810 CB LEU A 54 10.354 4.503 -1.494 1.00 0.00 C ATOM 811 CG LEU A 54 9.164 5.168 -0.803 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.282 4.125 -0.135 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.645 6.193 0.215 1.00 0.00 C ATOM 0 H LEU A 54 11.967 4.543 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 54 9.490 3.246 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.619 3.606 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.207 5.179 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 54 8.571 5.684 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.440 4.618 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.910 3.428 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.863 3.580 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.785 6.657 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.260 5.698 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.235 6.958 -0.290 1.00 0.00 H new ATOM 825 N ARG A 55 8.203 5.108 -4.015 1.00 0.00 N ATOM 826 CA ARG A 55 7.457 6.134 -4.735 1.00 0.00 C ATOM 827 C ARG A 55 5.979 6.095 -4.359 1.00 0.00 C ATOM 828 O ARG A 55 5.452 5.048 -3.978 1.00 0.00 O ATOM 829 CB ARG A 55 7.617 5.946 -6.245 1.00 0.00 C ATOM 830 CG ARG A 55 6.820 4.777 -6.800 1.00 0.00 C ATOM 831 CD ARG A 55 7.619 3.483 -6.747 1.00 0.00 C ATOM 832 NE ARG A 55 6.794 2.318 -7.052 1.00 0.00 N ATOM 833 CZ ARG A 55 6.475 1.946 -8.286 1.00 0.00 C ATOM 834 NH1 ARG A 55 6.909 2.643 -9.326 1.00 0.00 N ATOM 835 NH2 ARG A 55 5.719 0.872 -8.483 1.00 0.00 N ATOM 0 H ARG A 55 7.657 4.282 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 55 7.860 7.107 -4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.306 6.860 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.672 5.797 -6.474 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.898 4.660 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.533 4.987 -7.830 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.445 3.538 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.057 3.368 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 55 6.443 1.759 -6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.490 3.468 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.662 2.354 -10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.383 0.332 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.475 0.587 -9.432 1.00 0.00 H new ATOM 849 N LEU A 56 5.316 7.240 -4.468 1.00 0.00 N ATOM 850 CA LEU A 56 3.898 7.337 -4.140 1.00 0.00 C ATOM 851 C LEU A 56 3.034 7.045 -5.363 1.00 0.00 C ATOM 852 O LEU A 56 3.044 7.796 -6.336 1.00 0.00 O ATOM 853 CB LEU A 56 3.575 8.731 -3.596 1.00 0.00 C ATOM 854 CG LEU A 56 2.126 9.193 -3.754 1.00 0.00 C ATOM 855 CD1 LEU A 56 1.241 8.547 -2.700 1.00 0.00 C ATOM 856 CD2 LEU A 56 2.039 10.711 -3.669 1.00 0.00 C ATOM 0 H LEU A 56 5.737 8.115 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 56 3.676 6.593 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.829 8.754 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.222 9.453 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 56 1.771 8.882 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.214 8.888 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.280 7.463 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.594 8.826 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.001 11.023 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.413 11.043 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.641 11.155 -4.462 1.00 0.00 H new ATOM 868 N ASN A 57 2.287 5.947 -5.302 1.00 0.00 N ATOM 869 CA ASN A 57 1.415 5.555 -6.404 1.00 0.00 C ATOM 870 C ASN A 57 -0.002 6.080 -6.191 1.00 0.00 C ATOM 871 O ASN A 57 -0.633 5.796 -5.172 1.00 0.00 O ATOM 872 CB ASN A 57 1.391 4.032 -6.545 1.00 0.00 C ATOM 873 CG ASN A 57 2.704 3.479 -7.067 1.00 0.00 C ATOM 874 OD1 ASN A 57 3.765 4.065 -6.854 1.00 0.00 O ATOM 875 ND2 ASN A 57 2.636 2.346 -7.755 1.00 0.00 N ATOM 0 H ASN A 57 2.268 5.314 -4.503 1.00 0.00 H new ATOM 0 HA ASN A 57 1.811 5.992 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.170 3.584 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.585 3.745 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.486 1.926 -8.132 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.734 1.895 -7.907 1.00 0.00 H new ATOM 882 N ASP A 58 -0.495 6.845 -7.157 1.00 0.00 N ATOM 883 CA ASP A 58 -1.838 7.408 -7.077 1.00 0.00 C ATOM 884 C ASP A 58 -2.838 6.538 -7.832 1.00 0.00 C ATOM 885 O ASP A 58 -2.541 6.031 -8.913 1.00 0.00 O ATOM 886 CB ASP A 58 -1.853 8.830 -7.640 1.00 0.00 C ATOM 887 CG ASP A 58 -1.498 9.870 -6.596 1.00 0.00 C ATOM 888 OD1 ASP A 58 -1.752 9.619 -5.399 1.00 0.00 O ATOM 889 OD2 ASP A 58 -0.968 10.936 -6.975 1.00 0.00 O ATOM 0 H ASP A 58 0.015 7.090 -8.006 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.130 7.438 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.149 8.897 -8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.842 9.047 -8.044 1.00 0.00 H new ATOM 894 N MET A 59 -4.023 6.370 -7.254 1.00 0.00 N ATOM 895 CA MET A 59 -5.066 5.561 -7.873 1.00 0.00 C ATOM 896 C MET A 59 -6.450 6.108 -7.535 1.00 0.00 C ATOM 897 O MET A 59 -6.612 6.861 -6.575 1.00 0.00 O ATOM 898 CB MET A 59 -4.955 4.106 -7.413 1.00 0.00 C ATOM 899 CG MET A 59 -5.264 3.910 -5.938 1.00 0.00 C ATOM 900 SD MET A 59 -4.763 2.287 -5.333 1.00 0.00 S ATOM 901 CE MET A 59 -4.892 2.530 -3.564 1.00 0.00 C ATOM 0 H MET A 59 -4.284 6.783 -6.359 1.00 0.00 H new ATOM 0 HA MET A 59 -4.930 5.604 -8.954 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.637 3.494 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.947 3.745 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.757 4.682 -5.359 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.334 4.040 -5.774 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.165 1.897 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.693 3.575 -3.325 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.897 2.267 -3.233 1.00 0.00 H new ATOM 911 N ALA A 60 -7.443 5.725 -8.332 1.00 0.00 N ATOM 912 CA ALA A 60 -8.812 6.176 -8.116 1.00 0.00 C ATOM 913 C ALA A 60 -9.579 5.200 -7.231 1.00 0.00 C ATOM 914 O ALA A 60 -9.368 3.988 -7.298 1.00 0.00 O ATOM 915 CB ALA A 60 -9.525 6.356 -9.448 1.00 0.00 C ATOM 0 H ALA A 60 -7.325 5.104 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.774 7.137 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.546 6.693 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.996 7.098 -10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.544 5.406 -9.982 1.00 0.00 H new ATOM 921 N SER A 61 -10.469 5.734 -6.400 1.00 0.00 N ATOM 922 CA SER A 61 -11.264 4.909 -5.499 1.00 0.00 C ATOM 923 C SER A 61 -12.479 4.332 -6.219 1.00 0.00 C ATOM 924 O SER A 61 -12.963 4.899 -7.199 1.00 0.00 O ATOM 925 CB SER A 61 -11.716 5.729 -4.288 1.00 0.00 C ATOM 926 OG SER A 61 -11.812 4.918 -3.131 1.00 0.00 O ATOM 0 H SER A 61 -10.657 6.734 -6.332 1.00 0.00 H new ATOM 0 HA SER A 61 -10.640 4.083 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.010 6.540 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.683 6.188 -4.496 1.00 0.00 H new ATOM 0 HG SER A 61 -12.562 4.295 -3.230 1.00 0.00 H new ATOM 932 N THR A 62 -12.969 3.199 -5.725 1.00 0.00 N ATOM 933 CA THR A 62 -14.126 2.543 -6.320 1.00 0.00 C ATOM 934 C THR A 62 -15.402 2.880 -5.559 1.00 0.00 C ATOM 935 O THR A 62 -16.378 3.357 -6.141 1.00 0.00 O ATOM 936 CB THR A 62 -13.950 1.013 -6.353 1.00 0.00 C ATOM 937 OG1 THR A 62 -15.222 0.371 -6.204 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.012 0.553 -5.247 1.00 0.00 C ATOM 0 H THR A 62 -12.582 2.717 -4.914 1.00 0.00 H new ATOM 0 HA THR A 62 -14.208 2.914 -7.342 1.00 0.00 H new ATOM 0 HB THR A 62 -13.515 0.739 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.102 -0.601 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.903 -0.531 -5.290 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.037 1.021 -5.379 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.424 0.838 -4.279 1.00 0.00 H new ATOM 946 N ASP A 63 -15.390 2.632 -4.254 1.00 0.00 N ATOM 947 CA ASP A 63 -16.546 2.911 -3.410 1.00 0.00 C ATOM 948 C ASP A 63 -16.563 4.375 -2.978 1.00 0.00 C ATOM 949 O ASP A 63 -17.526 4.842 -2.370 1.00 0.00 O ATOM 950 CB ASP A 63 -16.540 2.003 -2.180 1.00 0.00 C ATOM 951 CG ASP A 63 -17.926 1.801 -1.602 1.00 0.00 C ATOM 952 OD1 ASP A 63 -18.505 2.783 -1.093 1.00 0.00 O ATOM 953 OD2 ASP A 63 -18.432 0.659 -1.656 1.00 0.00 O ATOM 0 H ASP A 63 -14.591 2.238 -3.757 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.445 2.712 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.117 1.035 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.891 2.434 -1.418 1.00 0.00 H new ATOM 958 N ASP A 64 -15.490 5.092 -3.295 1.00 0.00 N ATOM 959 CA ASP A 64 -15.381 6.501 -2.939 1.00 0.00 C ATOM 960 C ASP A 64 -15.185 7.362 -4.183 1.00 0.00 C ATOM 961 O ASP A 64 -15.450 8.563 -4.168 1.00 0.00 O ATOM 962 CB ASP A 64 -14.220 6.715 -1.967 1.00 0.00 C ATOM 963 CG ASP A 64 -14.122 5.614 -0.929 1.00 0.00 C ATOM 964 OD1 ASP A 64 -14.971 5.587 -0.014 1.00 0.00 O ATOM 965 OD2 ASP A 64 -13.197 4.781 -1.033 1.00 0.00 O ATOM 0 H ASP A 64 -14.684 4.720 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.310 6.801 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.286 6.766 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.343 7.674 -1.464 1.00 0.00 H new ATOM 970 N GLY A 65 -14.718 6.739 -5.261 1.00 0.00 N ATOM 971 CA GLY A 65 -14.493 7.463 -6.498 1.00 0.00 C ATOM 972 C GLY A 65 -13.549 8.636 -6.320 1.00 0.00 C ATOM 973 O GLY A 65 -13.404 9.467 -7.217 1.00 0.00 O ATOM 0 H GLY A 65 -14.491 5.745 -5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.085 6.782 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.447 7.823 -6.883 1.00 0.00 H new ATOM 977 N THR A 66 -12.907 8.705 -5.158 1.00 0.00 N ATOM 978 CA THR A 66 -11.975 9.786 -4.864 1.00 0.00 C ATOM 979 C THR A 66 -10.539 9.371 -5.163 1.00 0.00 C ATOM 980 O THR A 66 -10.269 8.209 -5.468 1.00 0.00 O ATOM 981 CB THR A 66 -12.073 10.227 -3.391 1.00 0.00 C ATOM 982 OG1 THR A 66 -11.382 11.467 -3.204 1.00 0.00 O ATOM 983 CG2 THR A 66 -11.485 9.170 -2.470 1.00 0.00 C ATOM 0 H THR A 66 -13.016 8.025 -4.405 1.00 0.00 H new ATOM 0 HA THR A 66 -12.250 10.623 -5.506 1.00 0.00 H new ATOM 0 HB THR A 66 -13.126 10.357 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.450 11.741 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.565 9.503 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.032 8.235 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.436 9.013 -2.720 1.00 0.00 H new ATOM 991 N LEU A 67 -9.622 10.327 -5.075 1.00 0.00 N ATOM 992 CA LEU A 67 -8.211 10.061 -5.336 1.00 0.00 C ATOM 993 C LEU A 67 -7.613 9.177 -4.247 1.00 0.00 C ATOM 994 O LEU A 67 -7.261 9.656 -3.170 1.00 0.00 O ATOM 995 CB LEU A 67 -7.432 11.374 -5.429 1.00 0.00 C ATOM 996 CG LEU A 67 -6.043 11.287 -6.061 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.049 10.673 -5.086 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.094 10.482 -7.351 1.00 0.00 C ATOM 0 H LEU A 67 -9.829 11.294 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.136 9.534 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.026 12.086 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.327 11.783 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.710 12.297 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.066 10.619 -5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.991 11.290 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.377 9.669 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.096 10.430 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.449 9.474 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.773 10.964 -8.054 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.499 7.885 -4.537 1.00 0.00 N ATOM 1011 CA GLN A 68 -6.941 6.934 -3.581 1.00 0.00 C ATOM 1012 C GLN A 68 -5.418 6.910 -3.662 1.00 0.00 C ATOM 1013 O GLN A 68 -4.827 7.476 -4.581 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.500 5.534 -3.838 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.794 5.249 -3.094 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.558 4.720 -1.693 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.640 5.157 -0.999 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.388 3.773 -1.270 1.00 0.00 N ATOM 0 H GLN A 68 -7.785 7.472 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.227 7.254 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.671 5.411 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.753 4.795 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.385 6.163 -3.038 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.381 4.524 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.135 3.441 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.278 3.378 -0.336 1.00 0.00 H new ATOM 1027 N SER A 69 -4.790 6.252 -2.694 1.00 0.00 N ATOM 1028 CA SER A 69 -3.335 6.158 -2.654 1.00 0.00 C ATOM 1029 C SER A 69 -2.891 4.956 -1.824 1.00 0.00 C ATOM 1030 O SER A 69 -3.674 4.394 -1.058 1.00 0.00 O ATOM 1031 CB SER A 69 -2.735 7.441 -2.075 1.00 0.00 C ATOM 1032 OG SER A 69 -3.094 8.569 -2.856 1.00 0.00 O ATOM 0 H SER A 69 -5.265 5.776 -1.927 1.00 0.00 H new ATOM 0 HA SER A 69 -2.976 6.026 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.082 7.579 -1.051 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.649 7.353 -2.035 1.00 0.00 H new ATOM 0 HG SER A 69 -3.467 8.269 -3.711 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.630 4.569 -1.984 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.081 3.435 -1.252 1.00 0.00 C ATOM 1040 C ARG A 70 0.413 3.619 -1.004 1.00 0.00 C ATOM 1041 O ARG A 70 1.033 4.542 -1.535 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.325 2.136 -2.023 1.00 0.00 C ATOM 1043 CG ARG A 70 -0.982 2.232 -3.501 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.858 0.855 -4.134 1.00 0.00 C ATOM 1045 NE ARG A 70 -2.140 0.159 -4.187 1.00 0.00 N ATOM 1046 CZ ARG A 70 -2.352 -0.940 -4.902 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -1.370 -1.465 -5.622 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -3.547 -1.516 -4.899 1.00 0.00 N ATOM 0 H ARG A 70 -0.970 5.024 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.587 3.378 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.733 1.339 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.372 1.853 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.753 2.803 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.045 2.776 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.458 0.955 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.145 0.258 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.916 0.538 -3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.450 -1.025 -5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.535 -2.309 -6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.305 -1.115 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.708 -2.360 -5.449 1.00 0.00 H new ATOM 1062 N LEU A 71 0.987 2.735 -0.195 1.00 0.00 N ATOM 1063 CA LEU A 71 2.409 2.799 0.123 1.00 0.00 C ATOM 1064 C LEU A 71 3.152 1.598 -0.453 1.00 0.00 C ATOM 1065 O LEU A 71 2.971 0.467 -0.001 1.00 0.00 O ATOM 1066 CB LEU A 71 2.611 2.858 1.639 1.00 0.00 C ATOM 1067 CG LEU A 71 2.458 4.237 2.283 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.084 4.102 3.751 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.741 5.042 2.129 1.00 0.00 C ATOM 0 H LEU A 71 0.489 1.965 0.253 1.00 0.00 H new ATOM 0 HA LEU A 71 2.815 3.704 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.898 2.179 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.608 2.481 1.868 1.00 0.00 H new ATOM 0 HG LEU A 71 1.655 4.769 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.979 5.093 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.140 3.565 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.864 3.551 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.615 6.020 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.562 4.514 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.966 5.169 1.070 1.00 0.00 H new ATOM 1081 N VAL A 72 3.990 1.851 -1.452 1.00 0.00 N ATOM 1082 CA VAL A 72 4.763 0.792 -2.089 1.00 0.00 C ATOM 1083 C VAL A 72 6.255 0.960 -1.819 1.00 0.00 C ATOM 1084 O VAL A 72 6.751 2.081 -1.704 1.00 0.00 O ATOM 1085 CB VAL A 72 4.529 0.762 -3.611 1.00 0.00 C ATOM 1086 CG1 VAL A 72 5.755 0.222 -4.331 1.00 0.00 C ATOM 1087 CG2 VAL A 72 3.297 -0.067 -3.944 1.00 0.00 C ATOM 0 H VAL A 72 4.151 2.781 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 72 4.422 -0.149 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 72 4.357 1.782 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.570 0.209 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.612 0.861 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.963 -0.791 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.146 -0.078 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.438 -1.087 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.423 0.369 -3.460 1.00 0.00 H new ATOM 1097 N MET A 73 6.963 -0.159 -1.719 1.00 0.00 N ATOM 1098 CA MET A 73 8.398 -0.135 -1.464 1.00 0.00 C ATOM 1099 C MET A 73 9.089 -1.322 -2.128 1.00 0.00 C ATOM 1100 O MET A 73 8.978 -2.456 -1.663 1.00 0.00 O ATOM 1101 CB MET A 73 8.670 -0.150 0.042 1.00 0.00 C ATOM 1102 CG MET A 73 10.142 -0.298 0.392 1.00 0.00 C ATOM 1103 SD MET A 73 11.158 1.016 -0.308 1.00 0.00 S ATOM 1104 CE MET A 73 12.799 0.333 -0.082 1.00 0.00 C ATOM 0 H MET A 73 6.567 -1.094 -1.811 1.00 0.00 H new ATOM 0 HA MET A 73 8.802 0.783 -1.891 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.292 0.773 0.480 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.113 -0.970 0.495 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.255 -0.301 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.502 -1.262 0.031 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.528 0.962 -0.592 1.00 0.00 H new ATOM 0 HE2 MET A 73 13.034 0.294 0.982 1.00 0.00 H new ATOM 0 HE3 MET A 73 12.835 -0.674 -0.498 1.00 0.00 H new ATOM 1114 N ARG A 74 9.800 -1.052 -3.219 1.00 0.00 N ATOM 1115 CA ARG A 74 10.506 -2.098 -3.948 1.00 0.00 C ATOM 1116 C ARG A 74 11.948 -2.220 -3.462 1.00 0.00 C ATOM 1117 O ARG A 74 12.587 -1.224 -3.122 1.00 0.00 O ATOM 1118 CB ARG A 74 10.486 -1.806 -5.450 1.00 0.00 C ATOM 1119 CG ARG A 74 9.085 -1.689 -6.028 1.00 0.00 C ATOM 1120 CD ARG A 74 9.114 -1.162 -7.454 1.00 0.00 C ATOM 1121 NE ARG A 74 7.867 -1.436 -8.164 1.00 0.00 N ATOM 1122 CZ ARG A 74 7.474 -2.656 -8.513 1.00 0.00 C ATOM 1123 NH1 ARG A 74 8.225 -3.709 -8.220 1.00 0.00 N ATOM 1124 NH2 ARG A 74 6.327 -2.825 -9.157 1.00 0.00 N ATOM 0 H ARG A 74 9.902 -0.118 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 74 9.996 -3.043 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.027 -0.878 -5.639 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.021 -2.599 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.600 -2.665 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.487 -1.024 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.294 -0.087 -7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.945 -1.618 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 74 7.266 -0.648 -8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.108 -3.584 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.920 -4.644 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.746 -2.018 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.026 -3.762 -9.425 1.00 0.00 H new ATOM 1138 N THR A 75 12.455 -3.449 -3.433 1.00 0.00 N ATOM 1139 CA THR A 75 13.820 -3.702 -2.987 1.00 0.00 C ATOM 1140 C THR A 75 14.804 -3.604 -4.148 1.00 0.00 C ATOM 1141 O THR A 75 14.483 -3.976 -5.277 1.00 0.00 O ATOM 1142 CB THR A 75 13.949 -5.092 -2.334 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.251 -6.067 -3.117 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.393 -5.078 -0.918 1.00 0.00 C ATOM 0 H THR A 75 11.941 -4.284 -3.713 1.00 0.00 H new ATOM 0 HA THR A 75 14.058 -2.938 -2.247 1.00 0.00 H new ATOM 0 HB THR A 75 15.007 -5.352 -2.289 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.289 -5.881 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.495 -6.070 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.945 -4.355 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.340 -4.799 -0.943 1.00 0.00 H new ATOM 1152 N GLN A 76 16.001 -3.104 -3.861 1.00 0.00 N ATOM 1153 CA GLN A 76 17.031 -2.958 -4.883 1.00 0.00 C ATOM 1154 C GLN A 76 17.384 -4.309 -5.497 1.00 0.00 C ATOM 1155 O GLN A 76 17.585 -5.292 -4.785 1.00 0.00 O ATOM 1156 CB GLN A 76 18.284 -2.313 -4.286 1.00 0.00 C ATOM 1157 CG GLN A 76 18.760 -2.980 -3.005 1.00 0.00 C ATOM 1158 CD GLN A 76 20.190 -2.621 -2.657 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.439 -1.762 -1.811 1.00 0.00 O ATOM 1160 NE2 GLN A 76 21.141 -3.278 -3.311 1.00 0.00 N ATOM 0 H GLN A 76 16.282 -2.793 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 76 16.638 -2.313 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.086 -2.347 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.080 -1.261 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.106 -2.688 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.676 -4.062 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.890 -3.982 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 76 22.123 -3.078 -3.120 1.00 0.00 H new ATOM 1169 N GLY A 77 17.457 -4.350 -6.824 1.00 0.00 N ATOM 1170 CA GLY A 77 17.785 -5.585 -7.512 1.00 0.00 C ATOM 1171 C GLY A 77 16.623 -6.123 -8.323 1.00 0.00 C ATOM 1172 O GLY A 77 16.398 -5.695 -9.455 1.00 0.00 O ATOM 0 H GLY A 77 17.295 -3.550 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.636 -5.415 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 77 18.092 -6.334 -6.782 1.00 0.00 H new ATOM 1176 N SER A 78 15.885 -7.064 -7.745 1.00 0.00 N ATOM 1177 CA SER A 78 14.743 -7.667 -8.425 1.00 0.00 C ATOM 1178 C SER A 78 13.471 -6.868 -8.158 1.00 0.00 C ATOM 1179 O SER A 78 12.360 -7.363 -8.359 1.00 0.00 O ATOM 1180 CB SER A 78 14.556 -9.115 -7.968 1.00 0.00 C ATOM 1181 OG SER A 78 15.495 -9.971 -8.594 1.00 0.00 O ATOM 0 H SER A 78 16.057 -7.426 -6.807 1.00 0.00 H new ATOM 0 HA SER A 78 14.941 -7.656 -9.497 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.669 -9.176 -6.886 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.544 -9.446 -8.202 1.00 0.00 H new ATOM 0 HG SER A 78 15.356 -10.891 -8.285 1.00 0.00 H new ATOM 1187 N LEU A 79 13.639 -5.631 -7.704 1.00 0.00 N ATOM 1188 CA LEU A 79 12.505 -4.763 -7.408 1.00 0.00 C ATOM 1189 C LEU A 79 11.390 -5.540 -6.715 1.00 0.00 C ATOM 1190 O LEU A 79 10.208 -5.261 -6.915 1.00 0.00 O ATOM 1191 CB LEU A 79 11.975 -4.128 -8.696 1.00 0.00 C ATOM 1192 CG LEU A 79 12.623 -2.806 -9.108 1.00 0.00 C ATOM 1193 CD1 LEU A 79 14.122 -2.982 -9.295 1.00 0.00 C ATOM 1194 CD2 LEU A 79 11.984 -2.273 -10.382 1.00 0.00 C ATOM 0 H LEU A 79 14.550 -5.206 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 79 12.847 -3.977 -6.735 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.104 -4.842 -9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.903 -3.965 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 79 12.459 -2.080 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.566 -2.031 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.568 -3.318 -8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.307 -3.724 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.458 -1.332 -10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.116 -2.997 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.920 -2.108 -10.214 1.00 0.00 H new ATOM 1206 N ARG A 80 11.775 -6.516 -5.899 1.00 0.00 N ATOM 1207 CA ARG A 80 10.809 -7.332 -5.175 1.00 0.00 C ATOM 1208 C ARG A 80 9.971 -6.475 -4.231 1.00 0.00 C ATOM 1209 O ARG A 80 10.488 -5.574 -3.569 1.00 0.00 O ATOM 1210 CB ARG A 80 11.525 -8.429 -4.384 1.00 0.00 C ATOM 1211 CG ARG A 80 10.642 -9.113 -3.354 1.00 0.00 C ATOM 1212 CD ARG A 80 11.451 -10.022 -2.442 1.00 0.00 C ATOM 1213 NE ARG A 80 10.652 -11.130 -1.925 1.00 0.00 N ATOM 1214 CZ ARG A 80 10.935 -11.777 -0.800 1.00 0.00 C ATOM 1215 NH1 ARG A 80 11.992 -11.427 -0.077 1.00 0.00 N ATOM 1216 NH2 ARG A 80 10.160 -12.775 -0.394 1.00 0.00 N ATOM 0 H ARG A 80 12.750 -6.760 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 80 10.145 -7.795 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 80 11.904 -9.178 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.389 -7.996 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.128 -8.360 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.873 -9.696 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 80 12.307 -10.417 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.847 -9.441 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 80 9.832 -11.423 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.589 -10.660 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.207 -11.926 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.346 -13.046 -0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.378 -13.271 0.470 1.00 0.00 H new ATOM 1230 N LEU A 81 8.675 -6.760 -4.173 1.00 0.00 N ATOM 1231 CA LEU A 81 7.765 -6.015 -3.311 1.00 0.00 C ATOM 1232 C LEU A 81 7.641 -6.682 -1.945 1.00 0.00 C ATOM 1233 O LEU A 81 7.485 -7.899 -1.848 1.00 0.00 O ATOM 1234 CB LEU A 81 6.385 -5.906 -3.964 1.00 0.00 C ATOM 1235 CG LEU A 81 5.553 -4.684 -3.575 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.460 -4.563 -2.062 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.146 -3.420 -4.177 1.00 0.00 C ATOM 0 H LEU A 81 8.231 -7.502 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 81 8.174 -5.014 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.517 -5.901 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.816 -6.802 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 81 4.546 -4.813 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.864 -3.688 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.988 -5.457 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.461 -4.458 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.540 -2.561 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.164 -3.285 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.160 -3.506 -5.263 1.00 0.00 H new ATOM 1249 N ILE A 82 7.710 -5.875 -0.890 1.00 0.00 N ATOM 1250 CA ILE A 82 7.603 -6.387 0.471 1.00 0.00 C ATOM 1251 C ILE A 82 6.562 -5.611 1.269 1.00 0.00 C ATOM 1252 O ILE A 82 5.950 -6.144 2.196 1.00 0.00 O ATOM 1253 CB ILE A 82 8.955 -6.317 1.206 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.333 -4.861 1.485 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.039 -7.005 0.389 1.00 0.00 C ATOM 1256 CD1 ILE A 82 9.988 -4.170 0.309 1.00 0.00 C ATOM 0 H ILE A 82 7.839 -4.865 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 82 7.295 -7.430 0.394 1.00 0.00 H new ATOM 0 HB ILE A 82 8.861 -6.837 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.436 -4.309 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.010 -4.827 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.988 -6.947 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.772 -8.051 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.135 -6.511 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.228 -3.142 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.903 -4.698 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.305 -4.172 -0.541 1.00 0.00 H new ATOM 1268 N LEU A 83 6.362 -4.350 0.903 1.00 0.00 N ATOM 1269 CA LEU A 83 5.393 -3.499 1.583 1.00 0.00 C ATOM 1270 C LEU A 83 4.346 -2.975 0.605 1.00 0.00 C ATOM 1271 O LEU A 83 4.682 -2.421 -0.440 1.00 0.00 O ATOM 1272 CB LEU A 83 6.102 -2.328 2.266 1.00 0.00 C ATOM 1273 CG LEU A 83 5.276 -1.051 2.437 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.141 -1.279 3.423 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.162 0.097 2.896 1.00 0.00 C ATOM 0 H LEU A 83 6.859 -3.894 0.138 1.00 0.00 H new ATOM 0 HA LEU A 83 4.888 -4.100 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.436 -2.656 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.996 -2.085 1.691 1.00 0.00 H new ATOM 0 HG LEU A 83 4.843 -0.787 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.564 -0.361 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.492 -2.073 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.552 -1.567 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.559 0.998 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.622 -0.158 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.940 0.275 2.154 1.00 0.00 H new ATOM 1287 N ASN A 84 3.076 -3.153 0.954 1.00 0.00 N ATOM 1288 CA ASN A 84 1.981 -2.695 0.107 1.00 0.00 C ATOM 1289 C ASN A 84 0.679 -2.609 0.900 1.00 0.00 C ATOM 1290 O ASN A 84 0.063 -3.627 1.217 1.00 0.00 O ATOM 1291 CB ASN A 84 1.802 -3.639 -1.086 1.00 0.00 C ATOM 1292 CG ASN A 84 2.151 -5.074 -0.743 1.00 0.00 C ATOM 1293 OD1 ASN A 84 1.785 -5.577 0.319 1.00 0.00 O ATOM 1294 ND2 ASN A 84 2.861 -5.741 -1.646 1.00 0.00 N ATOM 0 H ASN A 84 2.780 -3.610 1.816 1.00 0.00 H new ATOM 0 HA ASN A 84 2.230 -1.699 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.769 -3.592 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.430 -3.302 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.125 -6.711 -1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.143 -5.283 -2.513 1.00 0.00 H new ATOM 1301 N THR A 85 0.266 -1.386 1.217 1.00 0.00 N ATOM 1302 CA THR A 85 -0.960 -1.165 1.973 1.00 0.00 C ATOM 1303 C THR A 85 -1.663 0.109 1.521 1.00 0.00 C ATOM 1304 O THR A 85 -1.020 1.126 1.260 1.00 0.00 O ATOM 1305 CB THR A 85 -0.680 -1.075 3.484 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.866 -1.390 4.222 1.00 0.00 O ATOM 1307 CG2 THR A 85 -0.195 0.316 3.863 1.00 0.00 C ATOM 0 H THR A 85 0.763 -0.533 0.962 1.00 0.00 H new ATOM 0 HA THR A 85 -1.607 -2.021 1.782 1.00 0.00 H new ATOM 0 HB THR A 85 0.102 -1.794 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.728 -1.179 5.169 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.004 0.355 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.724 0.541 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.957 1.050 3.603 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.987 0.049 1.430 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.779 1.200 1.013 1.00 0.00 C ATOM 1317 C LYS A 86 -3.983 2.171 2.171 1.00 0.00 C ATOM 1318 O LYS A 86 -4.502 1.797 3.224 1.00 0.00 O ATOM 1319 CB LYS A 86 -5.135 0.742 0.472 1.00 0.00 C ATOM 1320 CG LYS A 86 -6.048 1.888 0.070 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.467 1.407 -0.187 1.00 0.00 C ATOM 1322 CE LYS A 86 -8.275 1.346 1.100 1.00 0.00 C ATOM 1323 NZ LYS A 86 -8.051 0.070 1.835 1.00 0.00 N ATOM 0 H LYS A 86 -3.535 -0.785 1.640 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.234 1.716 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.973 0.097 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.635 0.139 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.055 2.642 0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.657 2.368 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.957 2.076 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.440 0.420 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.004 2.186 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.335 1.451 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.938 -0.231 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.735 -0.663 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.323 0.212 2.564 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.572 3.418 1.971 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.711 4.444 2.999 1.00 0.00 C ATOM 1339 C LEU A 87 -5.167 4.593 3.426 1.00 0.00 C ATOM 1340 O LEU A 87 -6.077 4.525 2.599 1.00 0.00 O ATOM 1341 CB LEU A 87 -3.179 5.783 2.486 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.684 5.834 2.167 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.384 6.966 1.196 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.871 5.993 3.443 1.00 0.00 C ATOM 0 H LEU A 87 -3.140 3.743 1.106 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.127 4.136 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.732 6.049 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.397 6.548 3.232 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.400 4.893 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.316 6.987 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.938 6.808 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.683 7.915 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.190 6.027 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.157 6.918 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.063 5.148 4.104 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.380 4.797 4.722 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.727 4.957 5.258 1.00 0.00 C ATOM 1358 C TRP A 88 -6.867 6.289 5.988 1.00 0.00 C ATOM 1359 O TRP A 88 -5.875 6.886 6.404 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.061 3.805 6.206 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.101 3.679 7.350 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.237 4.216 8.599 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -4.855 2.972 7.350 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.152 3.887 9.373 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.290 3.123 8.632 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.164 2.225 6.393 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.067 2.555 8.978 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -2.950 1.662 6.738 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.412 1.828 8.020 1.00 0.00 C ATOM 0 H TRP A 88 -4.638 4.855 5.420 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.427 4.946 4.423 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.067 3.948 6.600 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.069 2.872 5.643 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.075 4.812 8.929 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.011 4.167 10.344 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.571 2.090 5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.650 2.683 9.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.406 1.084 6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.462 1.374 8.258 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.104 6.749 6.139 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.373 8.009 6.820 1.00 0.00 C ATOM 1382 C ALA A 89 -7.715 8.041 8.195 1.00 0.00 C ATOM 1383 O ALA A 89 -7.104 9.040 8.577 1.00 0.00 O ATOM 1384 CB ALA A 89 -9.874 8.231 6.947 1.00 0.00 C ATOM 0 H ALA A 89 -8.936 6.268 5.799 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.946 8.814 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.060 9.176 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.323 8.261 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.315 7.416 7.520 1.00 0.00 H new ATOM 1390 N GLN A 90 -7.842 6.943 8.933 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.259 6.849 10.266 1.00 0.00 C ATOM 1392 C GLN A 90 -5.793 6.437 10.191 1.00 0.00 C ATOM 1393 O GLN A 90 -5.282 5.755 11.080 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.039 5.844 11.117 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.546 6.041 11.062 1.00 0.00 C ATOM 1396 CD GLN A 90 -10.018 7.173 11.953 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -9.750 7.187 13.155 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.727 8.132 11.367 1.00 0.00 N ATOM 0 H GLN A 90 -8.343 6.107 8.631 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.318 7.833 10.731 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.800 4.834 10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.708 5.923 12.153 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.845 6.244 10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.041 5.117 11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.926 8.081 10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -11.072 8.919 11.916 1.00 0.00 H new ATOM 1407 N MET A 91 -5.119 6.857 9.125 1.00 0.00 N ATOM 1408 CA MET A 91 -3.710 6.533 8.934 1.00 0.00 C ATOM 1409 C MET A 91 -2.835 7.323 9.901 1.00 0.00 C ATOM 1410 O MET A 91 -2.991 8.536 10.042 1.00 0.00 O ATOM 1411 CB MET A 91 -3.288 6.823 7.493 1.00 0.00 C ATOM 1412 CG MET A 91 -1.783 6.804 7.284 1.00 0.00 C ATOM 1413 SD MET A 91 -1.039 5.224 7.734 1.00 0.00 S ATOM 1414 CE MET A 91 -0.322 4.730 6.170 1.00 0.00 C ATOM 0 H MET A 91 -5.526 7.423 8.380 1.00 0.00 H new ATOM 0 HA MET A 91 -3.577 5.470 9.136 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.747 6.087 6.834 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.675 7.799 7.199 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.563 7.020 6.239 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.328 7.597 7.877 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.454 3.984 6.345 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.097 4.305 5.532 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.115 5.600 5.679 1.00 0.00 H new ATOM 1424 N GLN A 92 -1.916 6.629 10.565 1.00 0.00 N ATOM 1425 CA GLN A 92 -1.018 7.268 11.519 1.00 0.00 C ATOM 1426 C GLN A 92 0.335 7.562 10.879 1.00 0.00 C ATOM 1427 O GLN A 92 1.052 6.648 10.472 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.831 6.379 12.749 1.00 0.00 C ATOM 1429 CG GLN A 92 -2.089 6.232 13.591 1.00 0.00 C ATOM 1430 CD GLN A 92 -1.788 5.841 15.024 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -1.071 6.546 15.735 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -2.337 4.712 15.457 1.00 0.00 N ATOM 0 H GLN A 92 -1.774 5.624 10.460 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.467 8.212 11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.502 5.391 12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -0.035 6.793 13.369 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.639 7.173 13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.737 5.480 13.141 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.925 4.159 14.833 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.171 4.398 16.413 1.00 0.00 H new ATOM 1441 N ILE A 93 0.677 8.844 10.794 1.00 0.00 N ATOM 1442 CA ILE A 93 1.944 9.258 10.205 1.00 0.00 C ATOM 1443 C ILE A 93 2.424 10.576 10.804 1.00 0.00 C ATOM 1444 O ILE A 93 1.705 11.576 10.785 1.00 0.00 O ATOM 1445 CB ILE A 93 1.830 9.413 8.677 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.996 10.244 8.138 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.501 10.053 8.306 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.942 10.464 6.643 1.00 0.00 C ATOM 0 H ILE A 93 0.094 9.613 11.126 1.00 0.00 H new ATOM 0 HA ILE A 93 2.668 8.475 10.430 1.00 0.00 H new ATOM 0 HB ILE A 93 1.873 8.423 8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.004 11.212 8.639 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.933 9.747 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.436 10.155 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.317 9.425 8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.430 11.037 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.799 11.061 6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.965 9.501 6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.022 10.989 6.385 1.00 0.00 H new ATOM 1460 N ASP A 94 3.642 10.570 11.332 1.00 0.00 N ATOM 1461 CA ASP A 94 4.221 11.766 11.934 1.00 0.00 C ATOM 1462 C ASP A 94 5.711 11.864 11.625 1.00 0.00 C ATOM 1463 O ASP A 94 6.406 10.851 11.539 1.00 0.00 O ATOM 1464 CB ASP A 94 4.000 11.759 13.448 1.00 0.00 C ATOM 1465 CG ASP A 94 3.901 13.157 14.025 1.00 0.00 C ATOM 1466 OD1 ASP A 94 2.981 13.901 13.624 1.00 0.00 O ATOM 1467 OD2 ASP A 94 4.741 13.506 14.879 1.00 0.00 O ATOM 0 H ASP A 94 4.249 9.750 11.356 1.00 0.00 H new ATOM 0 HA ASP A 94 3.722 12.636 11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.087 11.209 13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.821 11.228 13.930 1.00 0.00 H new ATOM 1472 N LYS A 95 6.196 13.090 11.458 1.00 0.00 N ATOM 1473 CA LYS A 95 7.605 13.321 11.159 1.00 0.00 C ATOM 1474 C LYS A 95 8.463 13.139 12.406 1.00 0.00 C ATOM 1475 O LYS A 95 8.642 14.070 13.190 1.00 0.00 O ATOM 1476 CB LYS A 95 7.801 14.728 10.592 1.00 0.00 C ATOM 1477 CG LYS A 95 9.188 14.966 10.021 1.00 0.00 C ATOM 1478 CD LYS A 95 9.265 14.561 8.557 1.00 0.00 C ATOM 1479 CE LYS A 95 10.317 15.367 7.811 1.00 0.00 C ATOM 1480 NZ LYS A 95 9.884 16.773 7.586 1.00 0.00 N ATOM 0 H LYS A 95 5.634 13.939 11.525 1.00 0.00 H new ATOM 0 HA LYS A 95 7.919 12.589 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.061 14.902 9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.611 15.458 11.379 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.448 16.020 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.921 14.400 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.499 13.499 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.293 14.706 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.248 15.360 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.524 14.893 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.484 17.209 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.893 16.785 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.972 17.309 8.473 1.00 0.00 H new ATOM 1494 N ALA A 96 8.993 11.933 12.584 1.00 0.00 N ATOM 1495 CA ALA A 96 9.836 11.630 13.734 1.00 0.00 C ATOM 1496 C ALA A 96 11.132 12.432 13.691 1.00 0.00 C ATOM 1497 O ALA A 96 11.707 12.755 14.730 1.00 0.00 O ATOM 1498 CB ALA A 96 10.137 10.139 13.790 1.00 0.00 C ATOM 0 H ALA A 96 8.853 11.150 11.946 1.00 0.00 H new ATOM 0 HA ALA A 96 9.293 11.914 14.636 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.767 9.927 14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.204 9.582 13.877 1.00 0.00 H new ATOM 0 HB3 ALA A 96 10.656 9.838 12.880 1.00 0.00 H new ATOM 1504 N SER A 97 11.587 12.750 12.483 1.00 0.00 N ATOM 1505 CA SER A 97 12.817 13.511 12.305 1.00 0.00 C ATOM 1506 C SER A 97 12.892 14.104 10.901 1.00 0.00 C ATOM 1507 O SER A 97 12.041 13.830 10.055 1.00 0.00 O ATOM 1508 CB SER A 97 14.034 12.619 12.559 1.00 0.00 C ATOM 1509 OG SER A 97 15.151 13.386 12.974 1.00 0.00 O ATOM 0 H SER A 97 11.121 12.492 11.613 1.00 0.00 H new ATOM 0 HA SER A 97 12.816 14.328 13.026 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.793 11.879 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.283 12.071 11.650 1.00 0.00 H new ATOM 0 HG SER A 97 15.915 12.793 13.131 1.00 0.00 H new ATOM 1515 N GLU A 98 13.915 14.918 10.663 1.00 0.00 N ATOM 1516 CA GLU A 98 14.100 15.551 9.362 1.00 0.00 C ATOM 1517 C GLU A 98 14.581 14.538 8.327 1.00 0.00 C ATOM 1518 O GLU A 98 14.404 14.730 7.124 1.00 0.00 O ATOM 1519 CB GLU A 98 15.102 16.703 9.469 1.00 0.00 C ATOM 1520 CG GLU A 98 15.763 17.057 8.147 1.00 0.00 C ATOM 1521 CD GLU A 98 16.251 18.493 8.106 1.00 0.00 C ATOM 1522 OE1 GLU A 98 17.331 18.768 8.671 1.00 0.00 O ATOM 1523 OE2 GLU A 98 15.555 19.340 7.511 1.00 0.00 O ATOM 0 H GLU A 98 14.628 15.155 11.353 1.00 0.00 H new ATOM 0 HA GLU A 98 13.137 15.945 9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.591 17.584 9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.873 16.437 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.604 16.386 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.054 16.895 7.335 1.00 0.00 H new ATOM 1530 N LYS A 99 15.191 13.458 8.804 1.00 0.00 N ATOM 1531 CA LYS A 99 15.697 12.413 7.924 1.00 0.00 C ATOM 1532 C LYS A 99 15.075 11.063 8.266 1.00 0.00 C ATOM 1533 O LYS A 99 15.562 10.017 7.840 1.00 0.00 O ATOM 1534 CB LYS A 99 17.221 12.323 8.027 1.00 0.00 C ATOM 1535 CG LYS A 99 17.951 13.306 7.129 1.00 0.00 C ATOM 1536 CD LYS A 99 19.458 13.136 7.223 1.00 0.00 C ATOM 1537 CE LYS A 99 20.187 14.426 6.877 1.00 0.00 C ATOM 1538 NZ LYS A 99 20.162 15.397 8.006 1.00 0.00 N ATOM 0 H LYS A 99 15.347 13.284 9.797 1.00 0.00 H new ATOM 0 HA LYS A 99 15.422 12.672 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.518 12.499 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.535 11.310 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.632 13.163 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.681 14.324 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.728 12.824 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.779 12.343 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.221 14.200 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.727 14.879 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.302 16.360 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.244 15.341 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.923 15.169 8.677 1.00 0.00 H new ATOM 1552 N SER A 100 13.992 11.094 9.037 1.00 0.00 N ATOM 1553 CA SER A 100 13.304 9.873 9.438 1.00 0.00 C ATOM 1554 C SER A 100 11.817 10.136 9.663 1.00 0.00 C ATOM 1555 O SER A 100 11.435 11.175 10.204 1.00 0.00 O ATOM 1556 CB SER A 100 13.931 9.304 10.712 1.00 0.00 C ATOM 1557 OG SER A 100 15.346 9.365 10.656 1.00 0.00 O ATOM 0 H SER A 100 13.573 11.952 9.396 1.00 0.00 H new ATOM 0 HA SER A 100 13.409 9.145 8.633 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.574 9.862 11.577 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.614 8.270 10.847 1.00 0.00 H new ATOM 0 HG SER A 100 15.722 8.997 11.483 1.00 0.00 H new ATOM 1563 N ILE A 101 10.986 9.189 9.245 1.00 0.00 N ATOM 1564 CA ILE A 101 9.542 9.316 9.401 1.00 0.00 C ATOM 1565 C ILE A 101 8.941 8.054 10.008 1.00 0.00 C ATOM 1566 O ILE A 101 9.473 6.955 9.839 1.00 0.00 O ATOM 1567 CB ILE A 101 8.853 9.603 8.054 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.694 10.574 7.223 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.457 10.162 8.282 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.287 10.633 5.767 1.00 0.00 C ATOM 0 H ILE A 101 11.287 8.324 8.795 1.00 0.00 H new ATOM 0 HA ILE A 101 9.371 10.156 10.074 1.00 0.00 H new ATOM 0 HB ILE A 101 8.762 8.668 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.615 11.572 7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.742 10.281 7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.983 10.360 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.862 9.438 8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.525 11.089 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.926 11.341 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.393 9.645 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.249 10.956 5.692 1.00 0.00 H new ATOM 1582 N HIS A 102 7.827 8.215 10.716 1.00 0.00 N ATOM 1583 CA HIS A 102 7.151 7.087 11.347 1.00 0.00 C ATOM 1584 C HIS A 102 5.745 6.911 10.780 1.00 0.00 C ATOM 1585 O HIS A 102 4.830 7.660 11.121 1.00 0.00 O ATOM 1586 CB HIS A 102 7.081 7.289 12.861 1.00 0.00 C ATOM 1587 CG HIS A 102 8.378 7.020 13.561 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.455 6.377 14.779 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.652 7.307 13.206 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.722 6.283 15.145 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.469 6.840 14.207 1.00 0.00 N ATOM 0 H HIS A 102 7.373 9.116 10.867 1.00 0.00 H new ATOM 0 HA HIS A 102 7.726 6.185 11.135 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.771 8.313 13.069 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.313 6.634 13.272 1.00 0.00 H new ATOM 0 HD1 HIS A 102 7.659 6.029 15.314 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.968 7.810 12.304 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.085 5.829 16.055 1.00 0.00 H new ATOM 1599 N ILE A 103 5.583 5.916 9.914 1.00 0.00 N ATOM 1600 CA ILE A 103 4.290 5.642 9.301 1.00 0.00 C ATOM 1601 C ILE A 103 3.841 4.212 9.582 1.00 0.00 C ATOM 1602 O ILE A 103 4.658 3.291 9.640 1.00 0.00 O ATOM 1603 CB ILE A 103 4.329 5.865 7.778 1.00 0.00 C ATOM 1604 CG1 ILE A 103 5.074 4.719 7.091 1.00 0.00 C ATOM 1605 CG2 ILE A 103 4.985 7.200 7.456 1.00 0.00 C ATOM 1606 CD1 ILE A 103 4.176 3.573 6.683 1.00 0.00 C ATOM 0 H ILE A 103 6.331 5.287 9.622 1.00 0.00 H new ATOM 0 HA ILE A 103 3.578 6.339 9.743 1.00 0.00 H new ATOM 0 HB ILE A 103 3.306 5.884 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.581 5.105 6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.846 4.344 7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.006 7.344 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.416 8.006 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.004 7.207 7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.772 2.797 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.688 3.161 7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.420 3.934 5.986 1.00 0.00 H new ATOM 1618 N THR A 104 2.535 4.029 9.753 1.00 0.00 N ATOM 1619 CA THR A 104 1.977 2.711 10.027 1.00 0.00 C ATOM 1620 C THR A 104 1.448 2.063 8.752 1.00 0.00 C ATOM 1621 O THR A 104 0.637 2.649 8.036 1.00 0.00 O ATOM 1622 CB THR A 104 0.837 2.788 11.060 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.121 3.776 10.663 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.380 3.127 12.440 1.00 0.00 C ATOM 0 H THR A 104 1.844 4.778 9.706 1.00 0.00 H new ATOM 0 HA THR A 104 2.785 2.103 10.433 1.00 0.00 H new ATOM 0 HB THR A 104 0.353 1.813 11.106 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.216 3.766 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.557 3.176 13.153 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.085 2.357 12.753 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.887 4.091 12.405 1.00 0.00 H new ATOM 1632 N ALA A 105 1.912 0.848 8.475 1.00 0.00 N ATOM 1633 CA ALA A 105 1.485 0.119 7.289 1.00 0.00 C ATOM 1634 C ALA A 105 1.294 -1.363 7.594 1.00 0.00 C ATOM 1635 O ALA A 105 1.839 -1.881 8.567 1.00 0.00 O ATOM 1636 CB ALA A 105 2.493 0.303 6.164 1.00 0.00 C ATOM 0 H ALA A 105 2.584 0.349 9.057 1.00 0.00 H new ATOM 0 HA ALA A 105 0.524 0.524 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.161 -0.248 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.576 1.362 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.465 -0.073 6.482 1.00 0.00 H new ATOM 1642 N MET A 106 0.516 -2.039 6.755 1.00 0.00 N ATOM 1643 CA MET A 106 0.255 -3.463 6.936 1.00 0.00 C ATOM 1644 C MET A 106 1.348 -4.303 6.286 1.00 0.00 C ATOM 1645 O MET A 106 2.048 -3.840 5.385 1.00 0.00 O ATOM 1646 CB MET A 106 -1.108 -3.831 6.346 1.00 0.00 C ATOM 1647 CG MET A 106 -2.277 -3.496 7.259 1.00 0.00 C ATOM 1648 SD MET A 106 -3.843 -3.393 6.372 1.00 0.00 S ATOM 1649 CE MET A 106 -4.837 -2.474 7.546 1.00 0.00 C ATOM 0 H MET A 106 0.056 -1.625 5.944 1.00 0.00 H new ATOM 0 HA MET A 106 0.249 -3.674 8.005 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.237 -3.309 5.398 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.123 -4.899 6.127 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.354 -4.255 8.038 1.00 0.00 H new ATOM 0 HG3 MET A 106 -2.083 -2.546 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.838 -2.329 7.140 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.902 -3.030 8.482 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.377 -1.504 7.732 1.00 0.00 H new ATOM 1659 N ASP A 107 1.489 -5.541 6.746 1.00 0.00 N ATOM 1660 CA ASP A 107 2.498 -6.447 6.207 1.00 0.00 C ATOM 1661 C ASP A 107 1.874 -7.432 5.222 1.00 0.00 C ATOM 1662 O ASP A 107 0.686 -7.745 5.309 1.00 0.00 O ATOM 1663 CB ASP A 107 3.187 -7.208 7.341 1.00 0.00 C ATOM 1664 CG ASP A 107 4.619 -7.575 7.004 1.00 0.00 C ATOM 1665 OD1 ASP A 107 5.481 -6.672 7.017 1.00 0.00 O ATOM 1666 OD2 ASP A 107 4.878 -8.765 6.727 1.00 0.00 O ATOM 0 H ASP A 107 0.918 -5.941 7.491 1.00 0.00 H new ATOM 0 HA ASP A 107 3.240 -5.851 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.174 -6.598 8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.624 -8.115 7.561 1.00 0.00 H new ATOM 1671 N THR A 108 2.682 -7.915 4.284 1.00 0.00 N ATOM 1672 CA THR A 108 2.209 -8.862 3.283 1.00 0.00 C ATOM 1673 C THR A 108 2.077 -10.263 3.868 1.00 0.00 C ATOM 1674 O THR A 108 1.177 -11.017 3.500 1.00 0.00 O ATOM 1675 CB THR A 108 3.155 -8.912 2.067 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.494 -9.179 2.500 1.00 0.00 O ATOM 1677 CG2 THR A 108 3.118 -7.601 1.297 1.00 0.00 C ATOM 0 H THR A 108 3.667 -7.666 4.197 1.00 0.00 H new ATOM 0 HA THR A 108 1.228 -8.515 2.958 1.00 0.00 H new ATOM 0 HB THR A 108 2.820 -9.712 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.089 -9.211 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.794 -7.661 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 108 2.104 -7.415 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.430 -6.786 1.950 1.00 0.00 H new ATOM 1685 N GLU A 109 2.980 -10.604 4.782 1.00 0.00 N ATOM 1686 CA GLU A 109 2.962 -11.917 5.418 1.00 0.00 C ATOM 1687 C GLU A 109 2.305 -11.846 6.793 1.00 0.00 C ATOM 1688 O GLU A 109 1.340 -12.560 7.069 1.00 0.00 O ATOM 1689 CB GLU A 109 4.385 -12.463 5.549 1.00 0.00 C ATOM 1690 CG GLU A 109 5.102 -12.619 4.217 1.00 0.00 C ATOM 1691 CD GLU A 109 6.142 -13.722 4.241 1.00 0.00 C ATOM 1692 OE1 GLU A 109 6.940 -13.765 5.201 1.00 0.00 O ATOM 1693 OE2 GLU A 109 6.160 -14.543 3.300 1.00 0.00 O ATOM 0 H GLU A 109 3.732 -9.991 5.098 1.00 0.00 H new ATOM 0 HA GLU A 109 2.378 -12.589 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.964 -11.796 6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.349 -13.431 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.370 -12.831 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.583 -11.677 3.955 1.00 0.00 H new ATOM 1700 N ASP A 110 2.835 -10.983 7.652 1.00 0.00 N ATOM 1701 CA ASP A 110 2.301 -10.817 8.999 1.00 0.00 C ATOM 1702 C ASP A 110 0.878 -10.269 8.956 1.00 0.00 C ATOM 1703 O ASP A 110 0.169 -10.280 9.961 1.00 0.00 O ATOM 1704 CB ASP A 110 3.196 -9.883 9.815 1.00 0.00 C ATOM 1705 CG ASP A 110 4.326 -10.621 10.504 1.00 0.00 C ATOM 1706 OD1 ASP A 110 4.156 -11.821 10.803 1.00 0.00 O ATOM 1707 OD2 ASP A 110 5.382 -9.998 10.747 1.00 0.00 O ATOM 0 H ASP A 110 3.635 -10.387 7.440 1.00 0.00 H new ATOM 0 HA ASP A 110 2.280 -11.796 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.612 -9.118 9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.593 -9.368 10.563 1.00 0.00 H new ATOM 1712 N GLN A 111 0.470 -9.790 7.785 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.868 -9.236 7.613 1.00 0.00 C ATOM 1714 C GLN A 111 -1.281 -8.419 8.833 1.00 0.00 C ATOM 1715 O GLN A 111 -2.447 -8.419 9.227 1.00 0.00 O ATOM 1716 CB GLN A 111 -1.879 -10.356 7.366 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.597 -11.166 6.112 1.00 0.00 C ATOM 1718 CD GLN A 111 -2.843 -11.823 5.549 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -2.973 -13.048 5.564 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.765 -11.011 5.048 1.00 0.00 N ATOM 0 H GLN A 111 1.045 -9.774 6.943 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.851 -8.575 6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.885 -11.025 8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.877 -9.923 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.160 -10.515 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.857 -11.933 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.615 -10.002 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.624 -11.396 4.654 1.00 0.00 H new ATOM 1729 N GLY A 112 -0.317 -7.724 9.429 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.601 -6.915 10.599 1.00 0.00 C ATOM 1731 C GLY A 112 -0.053 -5.507 10.476 1.00 0.00 C ATOM 1732 O GLY A 112 0.918 -5.271 9.757 1.00 0.00 O ATOM 0 H GLY A 112 0.656 -7.707 9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.679 -6.870 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.173 -7.393 11.480 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.676 -4.567 11.181 1.00 0.00 N ATOM 1737 CA VAL A 113 -0.246 -3.175 11.147 1.00 0.00 C ATOM 1738 C VAL A 113 0.850 -2.914 12.174 1.00 0.00 C ATOM 1739 O VAL A 113 0.649 -3.097 13.374 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.422 -2.217 11.414 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -0.954 -0.771 11.372 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.540 -2.454 10.409 1.00 0.00 C ATOM 0 H VAL A 113 -1.480 -4.745 11.782 1.00 0.00 H new ATOM 0 HA VAL A 113 0.144 -2.989 10.147 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.812 -2.418 12.412 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.799 -0.109 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.190 -0.613 12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.537 -0.552 10.389 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.363 -1.769 10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.165 -2.282 9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.894 -3.481 10.494 1.00 0.00 H new ATOM 1752 N LYS A 114 2.013 -2.484 11.694 1.00 0.00 N ATOM 1753 CA LYS A 114 3.143 -2.195 12.568 1.00 0.00 C ATOM 1754 C LYS A 114 3.693 -0.798 12.303 1.00 0.00 C ATOM 1755 O LYS A 114 3.248 -0.108 11.385 1.00 0.00 O ATOM 1756 CB LYS A 114 4.247 -3.236 12.371 1.00 0.00 C ATOM 1757 CG LYS A 114 4.639 -3.438 10.917 1.00 0.00 C ATOM 1758 CD LYS A 114 5.279 -4.798 10.696 1.00 0.00 C ATOM 1759 CE LYS A 114 4.245 -5.913 10.742 1.00 0.00 C ATOM 1760 NZ LYS A 114 4.851 -7.243 10.454 1.00 0.00 N ATOM 0 H LYS A 114 2.197 -2.328 10.703 1.00 0.00 H new ATOM 0 HA LYS A 114 2.792 -2.238 13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.127 -2.932 12.937 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.915 -4.188 12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.756 -3.343 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.334 -2.654 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.787 -4.810 9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.038 -4.972 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.776 -5.933 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.457 -5.708 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.410 -7.964 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.694 -7.487 9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.873 -7.208 10.645 1.00 0.00 H new ATOM 1774 N VAL A 115 4.665 -0.385 13.111 1.00 0.00 N ATOM 1775 CA VAL A 115 5.279 0.928 12.961 1.00 0.00 C ATOM 1776 C VAL A 115 6.563 0.845 12.144 1.00 0.00 C ATOM 1777 O VAL A 115 7.576 0.323 12.611 1.00 0.00 O ATOM 1778 CB VAL A 115 5.594 1.561 14.330 1.00 0.00 C ATOM 1779 CG1 VAL A 115 6.368 2.857 14.154 1.00 0.00 C ATOM 1780 CG2 VAL A 115 4.312 1.797 15.115 1.00 0.00 C ATOM 0 H VAL A 115 5.044 -0.942 13.877 1.00 0.00 H new ATOM 0 HA VAL A 115 4.558 1.555 12.436 1.00 0.00 H new ATOM 0 HB VAL A 115 6.217 0.869 14.896 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.581 3.289 15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.305 2.654 13.635 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.774 3.559 13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.553 2.244 16.079 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.661 2.469 14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.802 0.847 15.273 1.00 0.00 H new ATOM 1790 N PHE A 116 6.515 1.364 10.922 1.00 0.00 N ATOM 1791 CA PHE A 116 7.675 1.348 10.038 1.00 0.00 C ATOM 1792 C PHE A 116 8.427 2.675 10.104 1.00 0.00 C ATOM 1793 O PHE A 116 7.983 3.622 10.754 1.00 0.00 O ATOM 1794 CB PHE A 116 7.243 1.065 8.599 1.00 0.00 C ATOM 1795 CG PHE A 116 6.781 -0.347 8.378 1.00 0.00 C ATOM 1796 CD1 PHE A 116 7.687 -1.395 8.384 1.00 0.00 C ATOM 1797 CD2 PHE A 116 5.441 -0.626 8.165 1.00 0.00 C ATOM 1798 CE1 PHE A 116 7.265 -2.696 8.180 1.00 0.00 C ATOM 1799 CE2 PHE A 116 5.012 -1.925 7.960 1.00 0.00 C ATOM 1800 CZ PHE A 116 5.925 -2.961 7.970 1.00 0.00 C ATOM 0 H PHE A 116 5.685 1.801 10.521 1.00 0.00 H new ATOM 0 HA PHE A 116 8.343 0.554 10.371 1.00 0.00 H new ATOM 0 HB2 PHE A 116 6.438 1.749 8.329 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.077 1.275 7.930 1.00 0.00 H new ATOM 0 HD1 PHE A 116 8.735 -1.194 8.550 1.00 0.00 H new ATOM 0 HD2 PHE A 116 4.723 0.180 8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 116 7.982 -3.504 8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.965 -2.129 7.792 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.592 -3.977 7.814 1.00 0.00 H new ATOM 1810 N LEU A 117 9.569 2.735 9.427 1.00 0.00 N ATOM 1811 CA LEU A 117 10.384 3.944 9.408 1.00 0.00 C ATOM 1812 C LEU A 117 10.841 4.270 7.990 1.00 0.00 C ATOM 1813 O LEU A 117 10.897 3.393 7.129 1.00 0.00 O ATOM 1814 CB LEU A 117 11.599 3.779 10.323 1.00 0.00 C ATOM 1815 CG LEU A 117 12.260 5.071 10.801 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.624 5.548 12.097 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.757 4.869 10.981 1.00 0.00 C ATOM 0 H LEU A 117 9.951 1.960 8.884 1.00 0.00 H new ATOM 0 HA LEU A 117 9.773 4.770 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.294 3.205 11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.347 3.185 9.797 1.00 0.00 H new ATOM 0 HG LEU A 117 12.106 5.838 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.108 6.469 12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.562 5.733 11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.746 4.784 12.865 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.211 5.799 11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.932 4.087 11.720 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.201 4.575 10.030 1.00 0.00 H new ATOM 1829 N ILE A 118 11.168 5.537 7.756 1.00 0.00 N ATOM 1830 CA ILE A 118 11.623 5.978 6.443 1.00 0.00 C ATOM 1831 C ILE A 118 12.854 6.871 6.560 1.00 0.00 C ATOM 1832 O ILE A 118 12.743 8.064 6.841 1.00 0.00 O ATOM 1833 CB ILE A 118 10.518 6.742 5.691 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.179 6.016 5.833 1.00 0.00 C ATOM 1835 CG2 ILE A 118 10.887 6.901 4.223 1.00 0.00 C ATOM 1836 CD1 ILE A 118 7.980 6.933 5.723 1.00 0.00 C ATOM 0 H ILE A 118 11.126 6.276 8.458 1.00 0.00 H new ATOM 0 HA ILE A 118 11.880 5.081 5.880 1.00 0.00 H new ATOM 0 HB ILE A 118 10.421 7.735 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.109 5.246 5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.151 5.508 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.096 7.443 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.821 7.457 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.009 5.917 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.065 6.351 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.026 7.688 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.984 7.422 4.749 1.00 0.00 H new ATOM 1848 N SER A 119 14.026 6.285 6.339 1.00 0.00 N ATOM 1849 CA SER A 119 15.279 7.027 6.421 1.00 0.00 C ATOM 1850 C SER A 119 15.695 7.545 5.048 1.00 0.00 C ATOM 1851 O SER A 119 15.875 6.770 4.109 1.00 0.00 O ATOM 1852 CB SER A 119 16.384 6.141 7.000 1.00 0.00 C ATOM 1853 OG SER A 119 17.575 6.881 7.207 1.00 0.00 O ATOM 0 H SER A 119 14.134 5.299 6.102 1.00 0.00 H new ATOM 0 HA SER A 119 15.124 7.881 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.051 5.710 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.581 5.311 6.322 1.00 0.00 H new ATOM 0 HG SER A 119 18.265 6.293 7.579 1.00 0.00 H new ATOM 1859 N ALA A 120 15.843 8.861 4.939 1.00 0.00 N ATOM 1860 CA ALA A 120 16.239 9.484 3.682 1.00 0.00 C ATOM 1861 C ALA A 120 16.879 10.847 3.922 1.00 0.00 C ATOM 1862 O ALA A 120 16.914 11.336 5.051 1.00 0.00 O ATOM 1863 CB ALA A 120 15.037 9.618 2.758 1.00 0.00 C ATOM 0 H ALA A 120 15.695 9.517 5.706 1.00 0.00 H new ATOM 0 HA ALA A 120 16.981 8.843 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.347 10.085 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.625 8.630 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.277 10.235 3.237 1.00 0.00 H new ATOM 1869 N SER A 121 17.384 11.455 2.854 1.00 0.00 N ATOM 1870 CA SER A 121 18.027 12.760 2.949 1.00 0.00 C ATOM 1871 C SER A 121 17.053 13.807 3.482 1.00 0.00 C ATOM 1872 O SER A 121 15.872 13.804 3.138 1.00 0.00 O ATOM 1873 CB SER A 121 18.560 13.192 1.582 1.00 0.00 C ATOM 1874 OG SER A 121 18.808 14.586 1.548 1.00 0.00 O ATOM 0 H SER A 121 17.360 11.064 1.912 1.00 0.00 H new ATOM 0 HA SER A 121 18.862 12.676 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 121 19.479 12.651 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 121 17.839 12.929 0.808 1.00 0.00 H new ATOM 0 HG SER A 121 19.150 14.836 0.664 1.00 0.00 H new ATOM 1880 N SER A 122 17.560 14.703 4.324 1.00 0.00 N ATOM 1881 CA SER A 122 16.735 15.755 4.908 1.00 0.00 C ATOM 1882 C SER A 122 15.780 16.335 3.869 1.00 0.00 C ATOM 1883 O SER A 122 14.717 16.857 4.207 1.00 0.00 O ATOM 1884 CB SER A 122 17.618 16.864 5.482 1.00 0.00 C ATOM 1885 OG SER A 122 18.174 17.659 4.449 1.00 0.00 O ATOM 0 H SER A 122 18.537 14.721 4.617 1.00 0.00 H new ATOM 0 HA SER A 122 16.145 15.317 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.030 17.492 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.418 16.425 6.078 1.00 0.00 H new ATOM 0 HG SER A 122 18.733 18.362 4.842 1.00 0.00 H new ATOM 1891 N LYS A 123 16.167 16.242 2.601 1.00 0.00 N ATOM 1892 CA LYS A 123 15.346 16.757 1.510 1.00 0.00 C ATOM 1893 C LYS A 123 14.282 15.742 1.106 1.00 0.00 C ATOM 1894 O LYS A 123 13.085 16.016 1.197 1.00 0.00 O ATOM 1895 CB LYS A 123 16.223 17.099 0.304 1.00 0.00 C ATOM 1896 CG LYS A 123 15.466 17.777 -0.825 1.00 0.00 C ATOM 1897 CD LYS A 123 14.815 16.760 -1.748 1.00 0.00 C ATOM 1898 CE LYS A 123 14.538 17.351 -3.122 1.00 0.00 C ATOM 1899 NZ LYS A 123 15.796 17.633 -3.868 1.00 0.00 N ATOM 0 H LYS A 123 17.044 15.815 2.303 1.00 0.00 H new ATOM 0 HA LYS A 123 14.847 17.662 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.035 17.750 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.680 16.184 -0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.702 18.434 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.149 18.405 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.465 15.891 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.882 16.411 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 123 13.922 16.660 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.966 18.273 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 15.597 17.655 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 16.178 18.553 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 16.493 16.888 -3.668 1.00 0.00 H new ATOM 1913 N ASP A 124 14.725 14.571 0.662 1.00 0.00 N ATOM 1914 CA ASP A 124 13.809 13.515 0.246 1.00 0.00 C ATOM 1915 C ASP A 124 12.800 13.205 1.348 1.00 0.00 C ATOM 1916 O ASP A 124 11.593 13.182 1.112 1.00 0.00 O ATOM 1917 CB ASP A 124 14.587 12.251 -0.122 1.00 0.00 C ATOM 1918 CG ASP A 124 15.433 12.433 -1.366 1.00 0.00 C ATOM 1919 OD1 ASP A 124 14.980 13.136 -2.295 1.00 0.00 O ATOM 1920 OD2 ASP A 124 16.549 11.875 -1.412 1.00 0.00 O ATOM 0 H ASP A 124 15.713 14.329 0.581 1.00 0.00 H new ATOM 0 HA ASP A 124 13.265 13.865 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.229 11.967 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 124 13.887 11.430 -0.279 1.00 0.00 H new ATOM 1925 N THR A 125 13.305 12.965 2.554 1.00 0.00 N ATOM 1926 CA THR A 125 12.450 12.653 3.692 1.00 0.00 C ATOM 1927 C THR A 125 11.230 13.565 3.730 1.00 0.00 C ATOM 1928 O THR A 125 10.119 13.121 4.017 1.00 0.00 O ATOM 1929 CB THR A 125 13.217 12.785 5.023 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.310 11.861 5.052 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.295 12.526 6.205 1.00 0.00 C ATOM 0 H THR A 125 14.302 12.981 2.768 1.00 0.00 H new ATOM 0 HA THR A 125 12.124 11.620 3.569 1.00 0.00 H new ATOM 0 HB THR A 125 13.601 13.802 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.154 12.350 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.857 12.624 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.480 13.250 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.886 11.518 6.134 1.00 0.00 H new ATOM 1939 N GLY A 126 11.444 14.844 3.436 1.00 0.00 N ATOM 1940 CA GLY A 126 10.350 15.798 3.441 1.00 0.00 C ATOM 1941 C GLY A 126 9.462 15.668 2.219 1.00 0.00 C ATOM 1942 O GLY A 126 8.262 15.937 2.287 1.00 0.00 O ATOM 0 H GLY A 126 12.354 15.236 3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.750 15.653 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.754 16.809 3.487 1.00 0.00 H new ATOM 1946 N GLN A 127 10.050 15.256 1.101 1.00 0.00 N ATOM 1947 CA GLN A 127 9.302 15.093 -0.139 1.00 0.00 C ATOM 1948 C GLN A 127 8.198 14.055 0.023 1.00 0.00 C ATOM 1949 O GLN A 127 7.013 14.387 0.017 1.00 0.00 O ATOM 1950 CB GLN A 127 10.242 14.683 -1.275 1.00 0.00 C ATOM 1951 CG GLN A 127 10.823 15.861 -2.040 1.00 0.00 C ATOM 1952 CD GLN A 127 11.572 15.435 -3.286 1.00 0.00 C ATOM 1953 OE1 GLN A 127 12.440 14.562 -3.235 1.00 0.00 O ATOM 1954 NE2 GLN A 127 11.240 16.049 -4.417 1.00 0.00 N ATOM 0 H GLN A 127 11.042 15.029 1.029 1.00 0.00 H new ATOM 0 HA GLN A 127 8.841 16.050 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 127 11.058 14.090 -0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.700 14.041 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 127 10.018 16.541 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 127 11.497 16.416 -1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 127 10.515 16.767 -4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 127 11.710 15.803 -5.288 1.00 0.00 H new ATOM 1963 N LEU A 128 8.593 12.794 0.167 1.00 0.00 N ATOM 1964 CA LEU A 128 7.637 11.706 0.330 1.00 0.00 C ATOM 1965 C LEU A 128 6.686 11.985 1.490 1.00 0.00 C ATOM 1966 O LEU A 128 5.494 11.688 1.415 1.00 0.00 O ATOM 1967 CB LEU A 128 8.372 10.385 0.565 1.00 0.00 C ATOM 1968 CG LEU A 128 8.794 10.098 2.007 1.00 0.00 C ATOM 1969 CD1 LEU A 128 8.938 8.602 2.233 1.00 0.00 C ATOM 1970 CD2 LEU A 128 10.095 10.818 2.335 1.00 0.00 C ATOM 0 H LEU A 128 9.570 12.501 0.174 1.00 0.00 H new ATOM 0 HA LEU A 128 7.051 11.631 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.731 9.571 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.263 10.372 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 128 8.017 10.472 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.239 8.417 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.984 8.111 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.695 8.203 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.380 10.603 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.880 10.475 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.957 11.892 2.214 1.00 0.00 H new ATOM 1982 N TYR A 129 7.223 12.560 2.561 1.00 0.00 N ATOM 1983 CA TYR A 129 6.423 12.880 3.738 1.00 0.00 C ATOM 1984 C TYR A 129 5.232 13.759 3.365 1.00 0.00 C ATOM 1985 O TYR A 129 4.079 13.382 3.576 1.00 0.00 O ATOM 1986 CB TYR A 129 7.282 13.586 4.788 1.00 0.00 C ATOM 1987 CG TYR A 129 6.501 14.049 5.997 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.648 13.183 6.670 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.617 15.351 6.467 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.932 13.601 7.775 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.907 15.778 7.572 1.00 0.00 C ATOM 1992 CZ TYR A 129 5.065 14.899 8.222 1.00 0.00 C ATOM 1993 OH TYR A 129 4.355 15.322 9.322 1.00 0.00 O ATOM 0 H TYR A 129 8.208 12.814 2.638 1.00 0.00 H new ATOM 0 HA TYR A 129 6.046 11.946 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.072 12.909 5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.768 14.447 4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.543 12.166 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 129 7.274 16.042 5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.272 12.915 8.286 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.010 16.793 7.925 1.00 0.00 H new ATOM 0 HH TYR A 129 4.564 16.262 9.505 1.00 0.00 H new ATOM 2003 N ALA A 130 5.521 14.930 2.808 1.00 0.00 N ATOM 2004 CA ALA A 130 4.476 15.861 2.402 1.00 0.00 C ATOM 2005 C ALA A 130 3.423 15.166 1.544 1.00 0.00 C ATOM 2006 O ALA A 130 2.238 15.486 1.618 1.00 0.00 O ATOM 2007 CB ALA A 130 5.080 17.038 1.649 1.00 0.00 C ATOM 0 H ALA A 130 6.470 15.257 2.628 1.00 0.00 H new ATOM 0 HA ALA A 130 3.986 16.232 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.288 17.725 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.788 17.558 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.597 16.675 0.761 1.00 0.00 H new ATOM 2013 N ALA A 131 3.866 14.213 0.729 1.00 0.00 N ATOM 2014 CA ALA A 131 2.962 13.473 -0.142 1.00 0.00 C ATOM 2015 C ALA A 131 1.978 12.638 0.670 1.00 0.00 C ATOM 2016 O ALA A 131 0.784 12.937 0.716 1.00 0.00 O ATOM 2017 CB ALA A 131 3.753 12.584 -1.090 1.00 0.00 C ATOM 0 H ALA A 131 4.845 13.936 0.654 1.00 0.00 H new ATOM 0 HA ALA A 131 2.391 14.193 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 131 3.065 12.037 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.412 13.200 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.349 11.877 -0.513 1.00 0.00 H new ATOM 2023 N LEU A 132 2.486 11.590 1.310 1.00 0.00 N ATOM 2024 CA LEU A 132 1.651 10.711 2.122 1.00 0.00 C ATOM 2025 C LEU A 132 0.592 11.508 2.875 1.00 0.00 C ATOM 2026 O LEU A 132 -0.597 11.426 2.568 1.00 0.00 O ATOM 2027 CB LEU A 132 2.515 9.925 3.111 1.00 0.00 C ATOM 2028 CG LEU A 132 3.016 8.563 2.629 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.128 8.734 1.608 1.00 0.00 C ATOM 2030 CD2 LEU A 132 3.494 7.725 3.807 1.00 0.00 C ATOM 0 H LEU A 132 3.471 11.328 1.282 1.00 0.00 H new ATOM 0 HA LEU A 132 1.146 10.012 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.379 10.536 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.941 9.776 4.025 1.00 0.00 H new ATOM 0 HG LEU A 132 2.188 8.041 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.472 7.754 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.753 9.295 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 132 4.958 9.275 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 132 3.847 6.759 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 132 4.308 8.242 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.670 7.573 4.504 1.00 0.00 H new ATOM 2042 N HIS A 133 1.033 12.282 3.862 1.00 0.00 N ATOM 2043 CA HIS A 133 0.122 13.098 4.658 1.00 0.00 C ATOM 2044 C HIS A 133 -1.055 13.578 3.816 1.00 0.00 C ATOM 2045 O HIS A 133 -2.194 13.155 4.021 1.00 0.00 O ATOM 2046 CB HIS A 133 0.863 14.297 5.251 1.00 0.00 C ATOM 2047 CG HIS A 133 -0.030 15.251 5.983 1.00 0.00 C ATOM 2048 ND1 HIS A 133 0.029 16.617 5.813 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -1.010 15.028 6.890 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.873 17.195 6.586 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.518 16.251 7.249 1.00 0.00 N ATOM 0 H HIS A 133 2.014 12.361 4.130 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.263 12.481 5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.633 13.937 5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 133 1.372 14.832 4.449 1.00 0.00 H new ATOM 0 HD1 HIS A 133 0.669 17.106 5.188 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -1.332 14.066 7.262 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.053 18.257 6.663 1.00 0.00 H new ATOM 2059 N HIS A 134 -0.775 14.464 2.865 1.00 0.00 N ATOM 2060 CA HIS A 134 -1.811 15.002 1.992 1.00 0.00 C ATOM 2061 C HIS A 134 -2.752 13.898 1.522 1.00 0.00 C ATOM 2062 O HIS A 134 -3.957 13.947 1.773 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.180 15.698 0.785 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.071 15.737 -0.418 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -2.806 16.848 -0.774 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -2.342 14.794 -1.350 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -3.492 16.587 -1.872 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -3.228 15.346 -2.242 1.00 0.00 N ATOM 0 H HIS A 134 0.161 14.824 2.680 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.389 15.730 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.913 16.718 1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -0.254 15.186 0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -1.937 13.794 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -4.155 17.271 -2.381 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -3.619 14.875 -3.058 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.196 12.904 0.837 1.00 0.00 N ATOM 2077 CA ARG A 135 -2.986 11.789 0.330 1.00 0.00 C ATOM 2078 C ARG A 135 -4.037 11.359 1.350 1.00 0.00 C ATOM 2079 O ARG A 135 -5.159 11.005 0.988 1.00 0.00 O ATOM 2080 CB ARG A 135 -2.078 10.606 -0.012 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.997 10.942 -1.026 1.00 0.00 C ATOM 2082 CD ARG A 135 -1.586 11.202 -2.403 1.00 0.00 C ATOM 2083 NE ARG A 135 -0.807 12.182 -3.156 1.00 0.00 N ATOM 2084 CZ ARG A 135 -1.296 12.890 -4.168 1.00 0.00 C ATOM 2085 NH1 ARG A 135 -2.557 12.728 -4.546 1.00 0.00 N ATOM 2086 NH2 ARG A 135 -0.524 13.762 -4.803 1.00 0.00 N ATOM 0 H ARG A 135 -1.201 12.848 0.620 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.496 12.120 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.607 10.244 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.688 9.791 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.445 11.821 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.283 10.121 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.629 10.267 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -2.611 11.558 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 135 0.166 12.331 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -3.153 12.059 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.930 13.273 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 135 0.446 13.889 -4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -0.900 14.305 -5.580 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.664 11.392 2.625 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.575 11.006 3.697 1.00 0.00 C ATOM 2102 C ILE A 136 -5.658 12.059 3.902 1.00 0.00 C ATOM 2103 O ILE A 136 -6.849 11.743 3.923 1.00 0.00 O ATOM 2104 CB ILE A 136 -3.823 10.793 5.024 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -2.453 10.162 4.764 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -4.644 9.924 5.964 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -2.502 8.979 3.822 1.00 0.00 C ATOM 0 H ILE A 136 -2.738 11.682 2.941 1.00 0.00 H new ATOM 0 HA ILE A 136 -5.038 10.066 3.396 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.670 11.763 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.786 10.918 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -2.023 9.843 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -4.099 9.782 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.597 10.411 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -4.825 8.955 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.496 8.582 3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -3.143 8.205 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -2.902 9.297 2.859 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.240 13.310 4.051 1.00 0.00 N ATOM 2120 CA LEU A 137 -6.175 14.411 4.254 1.00 0.00 C ATOM 2121 C LEU A 137 -7.435 14.216 3.415 1.00 0.00 C ATOM 2122 O LEU A 137 -8.525 14.631 3.810 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.512 15.742 3.895 1.00 0.00 C ATOM 2124 CG LEU A 137 -4.213 16.065 4.633 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.513 17.251 3.989 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.490 16.342 6.104 1.00 0.00 C ATOM 0 H LEU A 137 -4.259 13.588 4.035 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.459 14.425 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.309 15.747 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.225 16.544 4.088 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.554 15.199 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.590 17.466 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -3.280 17.016 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.166 18.123 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.554 16.570 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -5.168 17.191 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.947 15.464 6.560 1.00 0.00 H new ATOM 2138 N ALA A 138 -7.278 13.580 2.259 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.403 13.326 1.368 1.00 0.00 C ATOM 2140 C ALA A 138 -9.345 12.281 1.957 1.00 0.00 C ATOM 2141 O ALA A 138 -10.566 12.433 1.908 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.903 12.879 0.001 1.00 0.00 C ATOM 0 H ALA A 138 -6.382 13.231 1.918 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.961 14.255 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.754 12.693 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -7.277 13.660 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -7.320 11.964 0.108 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.770 11.220 2.513 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.558 10.148 3.111 1.00 0.00 C ATOM 2150 C LEU A 139 -10.137 10.583 4.454 1.00 0.00 C ATOM 2151 O LEU A 139 -11.345 10.500 4.677 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.698 8.896 3.294 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.643 8.644 2.217 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -7.092 7.231 2.329 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -8.227 8.882 0.832 1.00 0.00 C ATOM 0 H LEU A 139 -7.761 11.079 2.562 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.383 9.918 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.195 8.963 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.358 8.029 3.338 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.822 9.345 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.342 7.070 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.635 7.095 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.903 6.513 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.462 8.698 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.066 8.206 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.572 9.913 0.755 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.266 11.048 5.345 1.00 0.00 N ATOM 2168 CA ARG A 140 -9.691 11.496 6.665 1.00 0.00 C ATOM 2169 C ARG A 140 -10.712 12.624 6.554 1.00 0.00 C ATOM 2170 O ARG A 140 -11.345 13.002 7.540 1.00 0.00 O ATOM 2171 CB ARG A 140 -8.484 11.964 7.480 1.00 0.00 C ATOM 2172 CG ARG A 140 -7.586 12.938 6.735 1.00 0.00 C ATOM 2173 CD ARG A 140 -6.607 13.625 7.674 1.00 0.00 C ATOM 2174 NE ARG A 140 -5.366 12.869 7.818 1.00 0.00 N ATOM 2175 CZ ARG A 140 -4.427 13.161 8.712 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -4.590 14.186 9.537 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -3.325 12.427 8.783 1.00 0.00 N ATOM 0 H ARG A 140 -8.263 11.124 5.176 1.00 0.00 H new ATOM 0 HA ARG A 140 -10.160 10.654 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.837 12.437 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.897 11.095 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.035 12.406 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.198 13.688 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.382 14.623 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.071 13.751 8.652 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.211 12.073 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.437 14.752 9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -3.868 14.409 10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -3.197 11.637 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -2.605 12.653 9.470 1.00 0.00 H new ATOM 2191 N SER A 141 -10.867 13.159 5.347 1.00 0.00 N ATOM 2192 CA SER A 141 -11.807 14.247 5.108 1.00 0.00 C ATOM 2193 C SER A 141 -13.190 13.703 4.760 1.00 0.00 C ATOM 2194 O SER A 141 -14.190 14.415 4.855 1.00 0.00 O ATOM 2195 CB SER A 141 -11.302 15.148 3.979 1.00 0.00 C ATOM 2196 OG SER A 141 -12.270 16.121 3.631 1.00 0.00 O ATOM 0 H SER A 141 -10.353 12.856 4.519 1.00 0.00 H new ATOM 0 HA SER A 141 -11.886 14.834 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.381 15.642 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 141 -11.061 14.542 3.106 1.00 0.00 H new ATOM 0 HG SER A 141 -11.922 16.685 2.909 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.236 12.438 4.356 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.495 11.798 3.992 1.00 0.00 C ATOM 2204 C ARG A 142 -15.230 11.300 5.232 1.00 0.00 C ATOM 2205 O ARG A 142 -16.387 11.651 5.464 1.00 0.00 O ATOM 2206 CB ARG A 142 -14.241 10.633 3.034 1.00 0.00 C ATOM 2207 CG ARG A 142 -13.342 10.993 1.862 1.00 0.00 C ATOM 2208 CD ARG A 142 -13.373 9.919 0.786 1.00 0.00 C ATOM 2209 NE ARG A 142 -14.676 9.838 0.131 1.00 0.00 N ATOM 2210 CZ ARG A 142 -15.151 10.777 -0.678 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -14.433 11.863 -0.932 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -16.345 10.632 -1.237 1.00 0.00 N ATOM 0 H ARG A 142 -12.417 11.836 4.272 1.00 0.00 H new ATOM 0 HA ARG A 142 -15.120 12.539 3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.789 9.810 3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -15.196 10.273 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.660 11.945 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.319 11.127 2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.605 10.130 0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -13.130 8.954 1.230 1.00 0.00 H new ATOM 0 HE ARG A 142 -15.253 9.015 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -13.514 11.978 -0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -14.800 12.583 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -16.900 9.798 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -16.708 11.355 -1.858 1.00 0.00 H new