USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 699 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 133 ASN : amide:sc= -5.69! C(o=-4.6!,f=-6.7!) USER MOD Set 1.2: A 148 THR OG1 : rot 65:sc= 1.1 USER MOD Set 2.1: A 78 SER OG : rot -149:sc=-0.00997 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.45 K(o=-1.7,f=-4.3!) USER MOD Set 2.3: A 85 SER OG : rot 87:sc= 0.737 USER MOD Set 3.1: A 74 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Set 3.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.684) USER MOD Single : A 65 ASN : amide:sc= -0.245 K(o=-0.24,f=-6!) USER MOD Single : A 68 SER OG : rot 60:sc= 0.882 USER MOD Single : A 93 THR OG1 : rot 67:sc= -1.13! USER MOD Single : A 95 SER OG : rot 180:sc= -0.249 USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.149 F(o=-1.1,f=-0.15) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.091 F(o=-1.3,f=-0.091) USER MOD Single : A 106 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 109 ASN : amide:sc= -3.93! C(o=-3.9!,f=-15!) USER MOD Single : A 119 THR OG1 : rot 28:sc= 0.0249 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 122 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.73) USER MOD Single : A 128 SER OG : rot 55:sc= 1.25 USER MOD Single : A 138 GLN :FLIP amide:sc= -3.16! C(o=-4.8!,f=-3.2!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -13.169 -5.328 -4.320 1.00 0.00 N ATOM 417 CA GLY A 54 -13.147 -5.845 -2.921 1.00 0.00 C ATOM 418 C GLY A 54 -11.758 -6.389 -2.600 1.00 0.00 C ATOM 419 O GLY A 54 -11.354 -6.440 -1.452 1.00 0.00 O ATOM 0 HA2 GLY A 54 -13.407 -5.049 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.893 -6.630 -2.801 1.00 0.00 H new ATOM 423 N LEU A 55 -11.021 -6.803 -3.604 1.00 0.00 N ATOM 424 CA LEU A 55 -9.650 -7.357 -3.369 1.00 0.00 C ATOM 425 C LEU A 55 -8.617 -6.612 -4.211 1.00 0.00 C ATOM 426 O LEU A 55 -8.897 -6.129 -5.292 1.00 0.00 O ATOM 427 CB LEU A 55 -9.638 -8.842 -3.734 1.00 0.00 C ATOM 428 CG LEU A 55 -10.505 -9.626 -2.738 1.00 0.00 C ATOM 429 CD1 LEU A 55 -10.729 -11.044 -3.269 1.00 0.00 C ATOM 430 CD2 LEU A 55 -9.818 -9.697 -1.358 1.00 0.00 C ATOM 0 H LEU A 55 -11.313 -6.780 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.393 -7.231 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.015 -8.981 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.616 -9.222 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.461 -9.115 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.344 -11.603 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.235 -10.996 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.768 -11.544 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.448 -10.256 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.854 -10.197 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.666 -8.688 -0.975 1.00 0.00 H new ATOM 442 N ALA A 56 -7.413 -6.525 -3.713 1.00 0.00 N ATOM 443 CA ALA A 56 -6.330 -5.826 -4.457 1.00 0.00 C ATOM 444 C ALA A 56 -4.988 -6.447 -4.070 1.00 0.00 C ATOM 445 O ALA A 56 -4.853 -7.040 -3.015 1.00 0.00 O ATOM 446 CB ALA A 56 -6.333 -4.341 -4.095 1.00 0.00 C ATOM 0 H ALA A 56 -7.132 -6.913 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.491 -5.930 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.539 -3.832 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.295 -3.903 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.167 -4.227 -3.024 1.00 0.00 H new ATOM 452 N LEU A 57 -3.995 -6.326 -4.920 1.00 0.00 N ATOM 453 CA LEU A 57 -2.654 -6.920 -4.617 1.00 0.00 C ATOM 454 C LEU A 57 -1.580 -5.836 -4.642 1.00 0.00 C ATOM 455 O LEU A 57 -1.682 -4.839 -5.336 1.00 0.00 O ATOM 456 CB LEU A 57 -2.312 -7.995 -5.664 1.00 0.00 C ATOM 457 CG LEU A 57 -3.042 -9.322 -5.343 1.00 0.00 C ATOM 458 CD1 LEU A 57 -4.455 -9.317 -5.939 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.247 -10.501 -5.921 1.00 0.00 C ATOM 0 H LEU A 57 -4.057 -5.839 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.688 -7.371 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.598 -7.647 -6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.235 -8.162 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.118 -9.425 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.953 -10.258 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.025 -8.489 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.393 -9.201 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.763 -11.434 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.162 -10.387 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.251 -10.520 -5.479 1.00 0.00 H new ATOM 471 N LEU A 58 -0.541 -6.045 -3.873 1.00 0.00 N ATOM 472 CA LEU A 58 0.581 -5.068 -3.803 1.00 0.00 C ATOM 473 C LEU A 58 1.852 -5.751 -4.293 1.00 0.00 C ATOM 474 O LEU A 58 2.076 -6.918 -4.033 1.00 0.00 O ATOM 475 CB LEU A 58 0.776 -4.634 -2.351 1.00 0.00 C ATOM 476 CG LEU A 58 -0.545 -4.101 -1.791 1.00 0.00 C ATOM 477 CD1 LEU A 58 -0.346 -3.673 -0.332 1.00 0.00 C ATOM 478 CD2 LEU A 58 -1.019 -2.902 -2.627 1.00 0.00 C ATOM 0 H LEU A 58 -0.424 -6.868 -3.281 1.00 0.00 H new ATOM 0 HA LEU A 58 0.360 -4.197 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.122 -5.477 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.545 -3.864 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.300 -4.886 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.286 -3.293 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.021 -4.530 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.411 -2.891 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.960 -2.527 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.268 -2.113 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.166 -3.215 -3.661 1.00 0.00 H new ATOM 490 N VAL A 59 2.689 -5.033 -5.003 1.00 0.00 N ATOM 491 CA VAL A 59 3.955 -5.639 -5.521 1.00 0.00 C ATOM 492 C VAL A 59 5.147 -4.775 -5.114 1.00 0.00 C ATOM 493 O VAL A 59 5.152 -3.571 -5.293 1.00 0.00 O ATOM 494 CB VAL A 59 3.878 -5.737 -7.041 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.179 -6.335 -7.578 1.00 0.00 C ATOM 496 CG2 VAL A 59 2.704 -6.641 -7.422 1.00 0.00 C ATOM 0 H VAL A 59 2.549 -4.052 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 59 4.083 -6.636 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 59 3.733 -4.745 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.126 -6.406 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.016 -5.696 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.324 -7.330 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.641 -6.717 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.856 -7.633 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.778 -6.218 -7.033 1.00 0.00 H new ATOM 506 N VAL A 60 6.162 -5.389 -4.562 1.00 0.00 N ATOM 507 CA VAL A 60 7.361 -4.620 -4.131 1.00 0.00 C ATOM 508 C VAL A 60 8.250 -4.314 -5.338 1.00 0.00 C ATOM 509 O VAL A 60 8.578 -5.181 -6.125 1.00 0.00 O ATOM 510 CB VAL A 60 8.146 -5.444 -3.109 1.00 0.00 C ATOM 511 CG1 VAL A 60 9.464 -4.739 -2.773 1.00 0.00 C ATOM 512 CG2 VAL A 60 7.310 -5.594 -1.835 1.00 0.00 C ATOM 0 H VAL A 60 6.209 -6.394 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 60 7.044 -3.680 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 60 8.363 -6.427 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.018 -5.331 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.059 -4.629 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.254 -3.754 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.865 -6.181 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.095 -4.608 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.374 -6.100 -2.071 1.00 0.00 H new ATOM 522 N LYS A 61 8.642 -3.079 -5.481 1.00 0.00 N ATOM 523 CA LYS A 61 9.514 -2.690 -6.622 1.00 0.00 C ATOM 524 C LYS A 61 10.932 -3.214 -6.391 1.00 0.00 C ATOM 525 O LYS A 61 11.351 -4.184 -6.998 1.00 0.00 O ATOM 526 CB LYS A 61 9.554 -1.165 -6.731 1.00 0.00 C ATOM 527 CG LYS A 61 8.174 -0.637 -7.117 1.00 0.00 C ATOM 528 CD LYS A 61 8.240 0.884 -7.296 1.00 0.00 C ATOM 529 CE LYS A 61 6.843 1.421 -7.601 1.00 0.00 C ATOM 530 NZ LYS A 61 6.913 2.886 -7.867 1.00 0.00 N ATOM 0 H LYS A 61 8.393 -2.317 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 61 9.115 -3.117 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.867 -0.732 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.290 -0.864 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.838 -1.108 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.447 -0.892 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.631 1.351 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.923 1.136 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.425 0.905 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.177 1.226 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.159 3.155 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.790 3.407 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.838 3.120 -8.280 1.00 0.00 H new ATOM 544 N ARG A 62 11.679 -2.567 -5.530 1.00 0.00 N ATOM 545 CA ARG A 62 13.086 -3.001 -5.258 1.00 0.00 C ATOM 546 C ARG A 62 13.274 -3.275 -3.764 1.00 0.00 C ATOM 547 O ARG A 62 12.655 -2.656 -2.919 1.00 0.00 O ATOM 548 CB ARG A 62 14.046 -1.892 -5.689 1.00 0.00 C ATOM 549 CG ARG A 62 15.492 -2.365 -5.495 1.00 0.00 C ATOM 550 CD ARG A 62 16.460 -1.292 -5.999 1.00 0.00 C ATOM 551 NE ARG A 62 16.329 -1.161 -7.478 1.00 0.00 N ATOM 552 CZ ARG A 62 16.993 -0.237 -8.123 1.00 0.00 C ATOM 553 NH1 ARG A 62 17.770 0.586 -7.476 1.00 0.00 N ATOM 554 NH2 ARG A 62 16.876 -0.140 -9.419 1.00 0.00 N ATOM 0 H ARG A 62 11.373 -1.751 -5.000 1.00 0.00 H new ATOM 0 HA ARG A 62 13.292 -3.914 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.874 -1.633 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.865 -0.991 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.679 -2.570 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.655 -3.298 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.245 -0.338 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.484 -1.558 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 62 15.717 -1.796 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.862 0.511 -6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.286 1.305 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.268 -0.784 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.392 0.579 -9.925 1.00 0.00 H new ATOM 568 N GLY A 63 14.134 -4.202 -3.436 1.00 0.00 N ATOM 569 CA GLY A 63 14.379 -4.530 -2.004 1.00 0.00 C ATOM 570 C GLY A 63 14.998 -5.928 -1.902 1.00 0.00 C ATOM 571 O GLY A 63 15.133 -6.623 -2.887 1.00 0.00 O ATOM 0 H GLY A 63 14.679 -4.748 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.046 -3.791 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.444 -4.492 -1.445 1.00 0.00 H new ATOM 575 N PRO A 64 15.365 -6.335 -0.714 1.00 0.00 N ATOM 576 CA PRO A 64 15.976 -7.680 -0.468 1.00 0.00 C ATOM 577 C PRO A 64 14.970 -8.805 -0.727 1.00 0.00 C ATOM 578 O PRO A 64 15.334 -9.941 -0.963 1.00 0.00 O ATOM 579 CB PRO A 64 16.375 -7.633 1.020 1.00 0.00 C ATOM 580 CG PRO A 64 15.469 -6.608 1.622 1.00 0.00 C ATOM 581 CD PRO A 64 15.232 -5.564 0.531 1.00 0.00 C ATOM 0 HA PRO A 64 16.819 -7.883 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.245 -8.605 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.422 -7.356 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.529 -7.058 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.923 -6.155 2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.245 -5.109 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.962 -4.756 0.583 1.00 0.00 H new ATOM 589 N ASN A 65 13.703 -8.480 -0.686 1.00 0.00 N ATOM 590 CA ASN A 65 12.637 -9.495 -0.932 1.00 0.00 C ATOM 591 C ASN A 65 11.971 -9.181 -2.272 1.00 0.00 C ATOM 592 O ASN A 65 10.835 -9.542 -2.518 1.00 0.00 O ATOM 593 CB ASN A 65 11.607 -9.446 0.205 1.00 0.00 C ATOM 594 CG ASN A 65 10.851 -8.117 0.184 1.00 0.00 C ATOM 595 OD1 ASN A 65 11.238 -7.188 -0.500 1.00 0.00 O ATOM 596 ND2 ASN A 65 9.777 -7.988 0.916 1.00 0.00 N ATOM 0 H ASN A 65 13.358 -7.540 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 65 13.065 -10.497 -0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.904 -10.273 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.109 -9.571 1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.262 -7.108 0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.454 -8.767 1.489 1.00 0.00 H new ATOM 603 N ALA A 66 12.681 -8.496 -3.131 1.00 0.00 N ATOM 604 CA ALA A 66 12.125 -8.121 -4.467 1.00 0.00 C ATOM 605 C ALA A 66 11.306 -9.271 -5.061 1.00 0.00 C ATOM 606 O ALA A 66 11.607 -10.434 -4.870 1.00 0.00 O ATOM 607 CB ALA A 66 13.273 -7.781 -5.415 1.00 0.00 C ATOM 0 H ALA A 66 13.635 -8.176 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 66 11.472 -7.257 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.871 -7.507 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.844 -6.945 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.925 -8.648 -5.522 1.00 0.00 H new ATOM 613 N GLY A 67 10.266 -8.940 -5.782 1.00 0.00 N ATOM 614 CA GLY A 67 9.405 -9.990 -6.397 1.00 0.00 C ATOM 615 C GLY A 67 8.354 -10.438 -5.375 1.00 0.00 C ATOM 616 O GLY A 67 7.524 -11.283 -5.648 1.00 0.00 O ATOM 0 H GLY A 67 9.976 -7.981 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.918 -9.601 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.013 -10.840 -6.709 1.00 0.00 H new ATOM 620 N SER A 68 8.396 -9.882 -4.192 1.00 0.00 N ATOM 621 CA SER A 68 7.416 -10.277 -3.139 1.00 0.00 C ATOM 622 C SER A 68 6.022 -9.725 -3.460 1.00 0.00 C ATOM 623 O SER A 68 5.875 -8.650 -4.012 1.00 0.00 O ATOM 624 CB SER A 68 7.883 -9.738 -1.789 1.00 0.00 C ATOM 625 OG SER A 68 8.954 -10.543 -1.316 1.00 0.00 O ATOM 0 H SER A 68 9.069 -9.169 -3.910 1.00 0.00 H new ATOM 0 HA SER A 68 7.356 -11.365 -3.104 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.206 -8.702 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.060 -9.748 -1.074 1.00 0.00 H new ATOM 0 HG SER A 68 9.693 -10.515 -1.959 1.00 0.00 H new ATOM 631 N ARG A 69 4.994 -10.463 -3.104 1.00 0.00 N ATOM 632 CA ARG A 69 3.594 -10.010 -3.367 1.00 0.00 C ATOM 633 C ARG A 69 2.742 -10.228 -2.117 1.00 0.00 C ATOM 634 O ARG A 69 2.956 -11.159 -1.363 1.00 0.00 O ATOM 635 CB ARG A 69 3.013 -10.821 -4.523 1.00 0.00 C ATOM 636 CG ARG A 69 3.843 -10.562 -5.781 1.00 0.00 C ATOM 637 CD ARG A 69 3.304 -11.402 -6.939 1.00 0.00 C ATOM 638 NE ARG A 69 1.934 -10.933 -7.304 1.00 0.00 N ATOM 639 CZ ARG A 69 1.771 -9.954 -8.158 1.00 0.00 C ATOM 640 NH1 ARG A 69 2.808 -9.368 -8.693 1.00 0.00 N ATOM 641 NH2 ARG A 69 0.569 -9.560 -8.474 1.00 0.00 N ATOM 0 H ARG A 69 5.070 -11.367 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 69 3.595 -8.951 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.021 -11.883 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.973 -10.541 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.807 -9.504 -6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.888 -10.810 -5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.968 -11.321 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.276 -12.454 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 69 1.118 -11.379 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.750 -9.673 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.676 -8.606 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.243 -10.014 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.441 -8.797 -9.139 1.00 0.00 H new ATOM 655 N PHE A 70 1.771 -9.375 -1.894 1.00 0.00 N ATOM 656 CA PHE A 70 0.887 -9.514 -0.695 1.00 0.00 C ATOM 657 C PHE A 70 -0.572 -9.473 -1.130 1.00 0.00 C ATOM 658 O PHE A 70 -0.929 -8.797 -2.077 1.00 0.00 O ATOM 659 CB PHE A 70 1.156 -8.363 0.271 1.00 0.00 C ATOM 660 CG PHE A 70 2.576 -8.461 0.766 1.00 0.00 C ATOM 661 CD1 PHE A 70 2.933 -9.479 1.658 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.538 -7.542 0.332 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.250 -9.578 2.116 1.00 0.00 C ATOM 664 CE2 PHE A 70 4.856 -7.640 0.791 1.00 0.00 C ATOM 665 CZ PHE A 70 5.212 -8.658 1.683 1.00 0.00 C ATOM 0 H PHE A 70 1.552 -8.582 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 70 1.094 -10.463 -0.201 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.996 -7.407 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.461 -8.405 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.191 -10.188 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.263 -6.757 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.525 -10.364 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.598 -6.930 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.229 -8.734 2.037 1.00 0.00 H new ATOM 675 N LEU A 71 -1.420 -10.196 -0.440 1.00 0.00 N ATOM 676 CA LEU A 71 -2.869 -10.219 -0.795 1.00 0.00 C ATOM 677 C LEU A 71 -3.663 -9.391 0.218 1.00 0.00 C ATOM 678 O LEU A 71 -3.569 -9.588 1.414 1.00 0.00 O ATOM 679 CB LEU A 71 -3.372 -11.669 -0.785 1.00 0.00 C ATOM 680 CG LEU A 71 -4.889 -11.708 -1.032 1.00 0.00 C ATOM 681 CD1 LEU A 71 -5.231 -10.979 -2.341 1.00 0.00 C ATOM 682 CD2 LEU A 71 -5.347 -13.168 -1.121 1.00 0.00 C ATOM 0 H LEU A 71 -1.166 -10.775 0.360 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.006 -9.793 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.856 -12.245 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.140 -12.135 0.173 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.401 -11.210 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.308 -11.013 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.907 -9.941 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.721 -11.466 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.422 -13.202 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.830 -13.662 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.115 -13.680 -0.187 1.00 0.00 H new ATOM 694 N LEU A 72 -4.457 -8.468 -0.260 1.00 0.00 N ATOM 695 CA LEU A 72 -5.275 -7.621 0.654 1.00 0.00 C ATOM 696 C LEU A 72 -6.654 -8.259 0.836 1.00 0.00 C ATOM 697 O LEU A 72 -7.631 -7.833 0.251 1.00 0.00 O ATOM 698 CB LEU A 72 -5.432 -6.231 0.040 1.00 0.00 C ATOM 699 CG LEU A 72 -4.045 -5.623 -0.210 1.00 0.00 C ATOM 700 CD1 LEU A 72 -4.203 -4.258 -0.888 1.00 0.00 C ATOM 701 CD2 LEU A 72 -3.295 -5.454 1.126 1.00 0.00 C ATOM 0 H LEU A 72 -4.573 -8.264 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.783 -7.540 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.987 -6.296 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.007 -5.590 0.708 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.472 -6.288 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.219 -3.824 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.723 -4.382 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.780 -3.596 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.312 -5.022 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.863 -4.794 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.179 -6.427 1.604 1.00 0.00 H new ATOM 713 N ASP A 73 -6.733 -9.281 1.653 1.00 0.00 N ATOM 714 CA ASP A 73 -8.036 -9.966 1.902 1.00 0.00 C ATOM 715 C ASP A 73 -8.502 -9.628 3.317 1.00 0.00 C ATOM 716 O ASP A 73 -9.362 -10.288 3.873 1.00 0.00 O ATOM 717 CB ASP A 73 -7.844 -11.478 1.770 1.00 0.00 C ATOM 718 CG ASP A 73 -9.181 -12.188 1.983 1.00 0.00 C ATOM 719 OD1 ASP A 73 -10.194 -11.507 2.012 1.00 0.00 O ATOM 720 OD2 ASP A 73 -9.172 -13.401 2.118 1.00 0.00 O ATOM 0 H ASP A 73 -5.941 -9.672 2.162 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.781 -9.635 1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.446 -11.719 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.115 -11.827 2.502 1.00 0.00 H new ATOM 725 N GLN A 74 -7.934 -8.599 3.907 1.00 0.00 N ATOM 726 CA GLN A 74 -8.328 -8.199 5.294 1.00 0.00 C ATOM 727 C GLN A 74 -8.762 -6.730 5.302 1.00 0.00 C ATOM 728 O GLN A 74 -8.174 -5.889 4.650 1.00 0.00 O ATOM 729 CB GLN A 74 -7.144 -8.384 6.249 1.00 0.00 C ATOM 730 CG GLN A 74 -7.590 -8.059 7.677 1.00 0.00 C ATOM 731 CD GLN A 74 -6.437 -8.297 8.651 1.00 0.00 C ATOM 732 OE1 GLN A 74 -5.312 -7.915 8.388 1.00 0.00 O ATOM 733 NE2 GLN A 74 -6.671 -8.912 9.777 1.00 0.00 N ATOM 0 H GLN A 74 -7.211 -8.018 3.483 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.156 -8.827 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.775 -9.408 6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.320 -7.733 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.919 -7.022 7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.443 -8.680 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.614 -9.232 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.911 -9.073 10.438 1.00 0.00 H new ATOM 742 N ALA A 75 -9.793 -6.425 6.041 1.00 0.00 N ATOM 743 CA ALA A 75 -10.289 -5.020 6.111 1.00 0.00 C ATOM 744 C ALA A 75 -9.192 -4.109 6.657 1.00 0.00 C ATOM 745 O ALA A 75 -8.922 -3.054 6.111 1.00 0.00 O ATOM 746 CB ALA A 75 -11.493 -4.967 7.048 1.00 0.00 C ATOM 0 H ALA A 75 -10.318 -7.094 6.604 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.572 -4.685 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.864 -3.944 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.280 -5.617 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.196 -5.303 8.042 1.00 0.00 H new ATOM 752 N ILE A 76 -8.559 -4.505 7.733 1.00 0.00 N ATOM 753 CA ILE A 76 -7.476 -3.666 8.331 1.00 0.00 C ATOM 754 C ILE A 76 -6.137 -4.385 8.180 1.00 0.00 C ATOM 755 O ILE A 76 -5.954 -5.487 8.662 1.00 0.00 O ATOM 756 CB ILE A 76 -7.762 -3.441 9.816 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.068 -2.654 9.966 1.00 0.00 C ATOM 758 CG2 ILE A 76 -6.607 -2.647 10.438 1.00 0.00 C ATOM 759 CD1 ILE A 76 -9.492 -2.633 11.435 1.00 0.00 C ATOM 0 H ILE A 76 -8.747 -5.378 8.225 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.438 -2.705 7.818 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.857 -4.401 10.324 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.934 -1.635 9.602 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.850 -3.109 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.806 -2.484 11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.679 -3.207 10.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.514 -1.685 9.934 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.421 -2.072 11.538 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.644 -3.654 11.784 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.714 -2.157 12.032 1.00 0.00 H new ATOM 771 N THR A 77 -5.195 -3.761 7.515 1.00 0.00 N ATOM 772 CA THR A 77 -3.851 -4.384 7.325 1.00 0.00 C ATOM 773 C THR A 77 -2.777 -3.405 7.796 1.00 0.00 C ATOM 774 O THR A 77 -2.703 -2.278 7.342 1.00 0.00 O ATOM 775 CB THR A 77 -3.649 -4.707 5.846 1.00 0.00 C ATOM 776 OG1 THR A 77 -4.664 -5.609 5.424 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.279 -5.355 5.648 1.00 0.00 C ATOM 0 H THR A 77 -5.303 -2.839 7.093 1.00 0.00 H new ATOM 0 HA THR A 77 -3.781 -5.305 7.904 1.00 0.00 H new ATOM 0 HB THR A 77 -3.703 -3.790 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.541 -5.819 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.135 -5.586 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.500 -4.668 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.224 -6.274 6.231 1.00 0.00 H new ATOM 785 N SER A 78 -1.944 -3.828 8.711 1.00 0.00 N ATOM 786 CA SER A 78 -0.871 -2.932 9.233 1.00 0.00 C ATOM 787 C SER A 78 0.440 -3.228 8.511 1.00 0.00 C ATOM 788 O SER A 78 0.647 -4.313 7.999 1.00 0.00 O ATOM 789 CB SER A 78 -0.692 -3.181 10.727 1.00 0.00 C ATOM 790 OG SER A 78 -1.886 -2.814 11.407 1.00 0.00 O ATOM 0 H SER A 78 -1.962 -4.762 9.121 1.00 0.00 H new ATOM 0 HA SER A 78 -1.151 -1.892 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.464 -4.231 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.150 -2.602 11.106 1.00 0.00 H new ATOM 0 HG SER A 78 -1.665 -2.497 12.307 1.00 0.00 H new ATOM 796 N ALA A 79 1.326 -2.264 8.460 1.00 0.00 N ATOM 797 CA ALA A 79 2.633 -2.463 7.762 1.00 0.00 C ATOM 798 C ALA A 79 3.782 -2.427 8.771 1.00 0.00 C ATOM 799 O ALA A 79 3.667 -1.878 9.851 1.00 0.00 O ATOM 800 CB ALA A 79 2.829 -1.336 6.750 1.00 0.00 C ATOM 0 H ALA A 79 1.198 -1.341 8.875 1.00 0.00 H new ATOM 0 HA ALA A 79 2.627 -3.431 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.780 -1.471 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.017 -1.354 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.830 -0.377 7.269 1.00 0.00 H new ATOM 806 N GLY A 80 4.899 -3.002 8.410 1.00 0.00 N ATOM 807 CA GLY A 80 6.078 -3.003 9.319 1.00 0.00 C ATOM 808 C GLY A 80 5.965 -4.130 10.344 1.00 0.00 C ATOM 809 O GLY A 80 5.900 -5.294 10.003 1.00 0.00 O ATOM 0 H GLY A 80 5.044 -3.474 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.992 -3.123 8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.150 -2.044 9.832 1.00 0.00 H new ATOM 813 N ARG A 81 5.964 -3.790 11.607 1.00 0.00 N ATOM 814 CA ARG A 81 5.883 -4.833 12.671 1.00 0.00 C ATOM 815 C ARG A 81 4.428 -5.042 13.086 1.00 0.00 C ATOM 816 O ARG A 81 3.811 -4.191 13.696 1.00 0.00 O ATOM 817 CB ARG A 81 6.700 -4.375 13.879 1.00 0.00 C ATOM 818 CG ARG A 81 8.191 -4.399 13.527 1.00 0.00 C ATOM 819 CD ARG A 81 9.019 -3.931 14.728 1.00 0.00 C ATOM 820 NE ARG A 81 10.468 -3.962 14.375 1.00 0.00 N ATOM 821 CZ ARG A 81 11.380 -3.897 15.310 1.00 0.00 C ATOM 822 NH1 ARG A 81 11.030 -3.808 16.564 1.00 0.00 N ATOM 823 NH2 ARG A 81 12.644 -3.924 14.989 1.00 0.00 N ATOM 0 H ARG A 81 6.016 -2.830 11.948 1.00 0.00 H new ATOM 0 HA ARG A 81 6.280 -5.774 12.290 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.401 -3.369 14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.506 -5.027 14.731 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.489 -5.407 13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.381 -3.754 12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.725 -2.921 15.015 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.829 -4.574 15.587 1.00 0.00 H new ATOM 0 HE ARG A 81 10.750 -4.034 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.042 -3.789 16.818 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.744 -3.758 17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.920 -3.996 14.010 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.356 -3.873 15.717 1.00 0.00 H new ATOM 837 N HIS A 82 3.885 -6.187 12.763 1.00 0.00 N ATOM 838 CA HIS A 82 2.477 -6.492 13.129 1.00 0.00 C ATOM 839 C HIS A 82 2.175 -7.945 12.726 1.00 0.00 C ATOM 840 O HIS A 82 1.722 -8.201 11.628 1.00 0.00 O ATOM 841 CB HIS A 82 1.523 -5.544 12.379 1.00 0.00 C ATOM 842 CG HIS A 82 0.185 -5.526 13.071 1.00 0.00 C ATOM 843 ND1 HIS A 82 -0.474 -4.345 13.370 1.00 0.00 N ATOM 844 CD2 HIS A 82 -0.621 -6.536 13.540 1.00 0.00 C ATOM 845 CE1 HIS A 82 -1.623 -4.669 13.993 1.00 0.00 C ATOM 846 NE2 HIS A 82 -1.761 -5.992 14.122 1.00 0.00 N ATOM 0 H HIS A 82 4.366 -6.930 12.255 1.00 0.00 H new ATOM 0 HA HIS A 82 2.335 -6.358 14.201 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.942 -4.538 12.349 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.406 -5.872 11.346 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.402 -7.591 13.468 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.345 -3.947 14.346 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.536 -6.495 14.554 1.00 0.00 H new ATOM 854 N PRO A 83 2.428 -8.889 13.598 1.00 0.00 N ATOM 855 CA PRO A 83 2.181 -10.338 13.312 1.00 0.00 C ATOM 856 C PRO A 83 0.737 -10.613 12.878 1.00 0.00 C ATOM 857 O PRO A 83 -0.178 -9.934 13.295 1.00 0.00 O ATOM 858 CB PRO A 83 2.493 -11.038 14.647 1.00 0.00 C ATOM 859 CG PRO A 83 3.397 -10.096 15.378 1.00 0.00 C ATOM 860 CD PRO A 83 2.982 -8.690 14.946 1.00 0.00 C ATOM 0 HA PRO A 83 2.794 -10.694 12.484 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.582 -11.230 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.976 -12.001 14.484 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.297 -10.218 16.457 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.441 -10.287 15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.242 -8.265 15.624 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.832 -8.008 14.933 1.00 0.00 H new ATOM 868 N ASP A 84 0.550 -11.600 12.033 1.00 0.00 N ATOM 869 CA ASP A 84 -0.819 -11.950 11.534 1.00 0.00 C ATOM 870 C ASP A 84 -1.187 -11.012 10.377 1.00 0.00 C ATOM 871 O ASP A 84 -2.193 -11.185 9.715 1.00 0.00 O ATOM 872 CB ASP A 84 -1.855 -11.815 12.673 1.00 0.00 C ATOM 873 CG ASP A 84 -3.031 -12.769 12.439 1.00 0.00 C ATOM 874 OD1 ASP A 84 -3.208 -13.192 11.309 1.00 0.00 O ATOM 875 OD2 ASP A 84 -3.729 -13.062 13.395 1.00 0.00 O ATOM 0 H ASP A 84 1.299 -12.186 11.663 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.823 -12.982 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.384 -12.036 13.631 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.216 -10.788 12.725 1.00 0.00 H new ATOM 880 N SER A 85 -0.378 -10.020 10.134 1.00 0.00 N ATOM 881 CA SER A 85 -0.675 -9.067 9.031 1.00 0.00 C ATOM 882 C SER A 85 -0.298 -9.676 7.675 1.00 0.00 C ATOM 883 O SER A 85 0.651 -10.426 7.557 1.00 0.00 O ATOM 884 CB SER A 85 0.120 -7.783 9.253 1.00 0.00 C ATOM 885 OG SER A 85 -0.322 -7.175 10.458 1.00 0.00 O ATOM 0 H SER A 85 0.479 -9.828 10.654 1.00 0.00 H new ATOM 0 HA SER A 85 -1.743 -8.850 9.028 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.186 -8.004 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.020 -7.102 8.413 1.00 0.00 H new ATOM 0 HG SER A 85 0.183 -7.542 11.214 1.00 0.00 H new ATOM 891 N ASP A 86 -1.033 -9.338 6.649 1.00 0.00 N ATOM 892 CA ASP A 86 -0.723 -9.869 5.293 1.00 0.00 C ATOM 893 C ASP A 86 0.645 -9.350 4.852 1.00 0.00 C ATOM 894 O ASP A 86 1.418 -10.049 4.223 1.00 0.00 O ATOM 895 CB ASP A 86 -1.778 -9.378 4.302 1.00 0.00 C ATOM 896 CG ASP A 86 -3.097 -10.113 4.539 1.00 0.00 C ATOM 897 OD1 ASP A 86 -3.078 -11.118 5.231 1.00 0.00 O ATOM 898 OD2 ASP A 86 -4.106 -9.656 4.027 1.00 0.00 O ATOM 0 H ASP A 86 -1.838 -8.714 6.694 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.720 -10.959 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.925 -8.304 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.436 -9.546 3.281 1.00 0.00 H new ATOM 903 N ILE A 87 0.943 -8.119 5.163 1.00 0.00 N ATOM 904 CA ILE A 87 2.250 -7.542 4.748 1.00 0.00 C ATOM 905 C ILE A 87 3.335 -7.940 5.747 1.00 0.00 C ATOM 906 O ILE A 87 3.206 -7.739 6.939 1.00 0.00 O ATOM 907 CB ILE A 87 2.132 -6.020 4.689 1.00 0.00 C ATOM 908 CG1 ILE A 87 1.137 -5.645 3.586 1.00 0.00 C ATOM 909 CG2 ILE A 87 3.502 -5.406 4.382 1.00 0.00 C ATOM 910 CD1 ILE A 87 0.808 -4.153 3.668 1.00 0.00 C ATOM 0 H ILE A 87 0.337 -7.488 5.687 1.00 0.00 H new ATOM 0 HA ILE A 87 2.520 -7.925 3.764 1.00 0.00 H new ATOM 0 HB ILE A 87 1.782 -5.638 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.558 -5.880 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.226 -6.234 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.413 -4.320 4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.208 -5.683 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.860 -5.777 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.100 -3.893 2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.368 -3.930 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.721 -3.572 3.541 1.00 0.00 H new ATOM 922 N PHE A 88 4.407 -8.509 5.253 1.00 0.00 N ATOM 923 CA PHE A 88 5.530 -8.939 6.140 1.00 0.00 C ATOM 924 C PHE A 88 6.831 -8.304 5.652 1.00 0.00 C ATOM 925 O PHE A 88 7.457 -8.776 4.722 1.00 0.00 O ATOM 926 CB PHE A 88 5.643 -10.463 6.090 1.00 0.00 C ATOM 927 CG PHE A 88 4.520 -11.067 6.906 1.00 0.00 C ATOM 928 CD1 PHE A 88 4.521 -10.921 8.298 1.00 0.00 C ATOM 929 CD2 PHE A 88 3.482 -11.766 6.276 1.00 0.00 C ATOM 930 CE1 PHE A 88 3.487 -11.471 9.061 1.00 0.00 C ATOM 931 CE2 PHE A 88 2.446 -12.318 7.042 1.00 0.00 C ATOM 932 CZ PHE A 88 2.451 -12.172 8.434 1.00 0.00 C ATOM 0 H PHE A 88 4.552 -8.696 4.261 1.00 0.00 H new ATOM 0 HA PHE A 88 5.341 -8.621 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.588 -10.811 5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.608 -10.782 6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.322 -10.383 8.783 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.480 -11.879 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.488 -11.355 10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.644 -12.856 6.558 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.655 -12.601 9.024 1.00 0.00 H new ATOM 942 N LEU A 89 7.236 -7.227 6.275 1.00 0.00 N ATOM 943 CA LEU A 89 8.491 -6.530 5.865 1.00 0.00 C ATOM 944 C LEU A 89 9.574 -6.765 6.915 1.00 0.00 C ATOM 945 O LEU A 89 9.300 -6.869 8.094 1.00 0.00 O ATOM 946 CB LEU A 89 8.211 -5.029 5.753 1.00 0.00 C ATOM 947 CG LEU A 89 7.176 -4.780 4.645 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.607 -3.368 4.787 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.826 -4.919 3.257 1.00 0.00 C ATOM 0 H LEU A 89 6.745 -6.797 7.059 1.00 0.00 H new ATOM 0 HA LEU A 89 8.830 -6.918 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.840 -4.646 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.133 -4.492 5.531 1.00 0.00 H new ATOM 0 HG LEU A 89 6.380 -5.518 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.873 -3.191 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.128 -3.265 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.414 -2.640 4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.078 -4.739 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.632 -4.191 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.230 -5.925 3.143 1.00 0.00 H new ATOM 961 N ASP A 90 10.804 -6.843 6.491 1.00 0.00 N ATOM 962 CA ASP A 90 11.913 -7.064 7.454 1.00 0.00 C ATOM 963 C ASP A 90 11.937 -5.902 8.450 1.00 0.00 C ATOM 964 O ASP A 90 12.738 -5.867 9.364 1.00 0.00 O ATOM 965 CB ASP A 90 13.231 -7.113 6.680 1.00 0.00 C ATOM 966 CG ASP A 90 14.331 -7.701 7.561 1.00 0.00 C ATOM 967 OD1 ASP A 90 14.072 -7.924 8.733 1.00 0.00 O ATOM 968 OD2 ASP A 90 15.417 -7.917 7.050 1.00 0.00 O ATOM 0 H ASP A 90 11.088 -6.763 5.515 1.00 0.00 H new ATOM 0 HA ASP A 90 11.773 -8.001 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.112 -7.717 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.510 -6.110 6.356 1.00 0.00 H new ATOM 973 N ASP A 91 11.048 -4.960 8.278 1.00 0.00 N ATOM 974 CA ASP A 91 10.982 -3.800 9.206 1.00 0.00 C ATOM 975 C ASP A 91 12.379 -3.222 9.439 1.00 0.00 C ATOM 976 O ASP A 91 12.689 -2.710 10.497 1.00 0.00 O ATOM 977 CB ASP A 91 10.333 -4.222 10.526 1.00 0.00 C ATOM 978 CG ASP A 91 11.306 -5.053 11.364 1.00 0.00 C ATOM 979 OD1 ASP A 91 11.305 -6.263 11.211 1.00 0.00 O ATOM 980 OD2 ASP A 91 12.035 -4.466 12.148 1.00 0.00 O ATOM 0 H ASP A 91 10.359 -4.947 7.526 1.00 0.00 H new ATOM 0 HA ASP A 91 10.368 -3.020 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.026 -3.338 11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.432 -4.801 10.325 1.00 0.00 H new ATOM 985 N VAL A 92 13.220 -3.304 8.451 1.00 0.00 N ATOM 986 CA VAL A 92 14.600 -2.762 8.589 1.00 0.00 C ATOM 987 C VAL A 92 14.554 -1.234 8.665 1.00 0.00 C ATOM 988 O VAL A 92 15.443 -0.602 9.200 1.00 0.00 O ATOM 989 CB VAL A 92 15.432 -3.197 7.380 1.00 0.00 C ATOM 990 CG1 VAL A 92 15.807 -4.679 7.520 1.00 0.00 C ATOM 991 CG2 VAL A 92 14.615 -2.991 6.097 1.00 0.00 C ATOM 0 H VAL A 92 13.011 -3.726 7.546 1.00 0.00 H new ATOM 0 HA VAL A 92 15.053 -3.146 9.503 1.00 0.00 H new ATOM 0 HB VAL A 92 16.342 -2.599 7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.399 -4.987 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.389 -4.823 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.900 -5.281 7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.207 -3.300 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.705 -3.588 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 92 14.353 -1.938 5.998 1.00 0.00 H new ATOM 1001 N THR A 93 13.524 -0.637 8.125 1.00 0.00 N ATOM 1002 CA THR A 93 13.410 0.852 8.155 1.00 0.00 C ATOM 1003 C THR A 93 11.967 1.240 8.474 1.00 0.00 C ATOM 1004 O THR A 93 11.573 2.380 8.315 1.00 0.00 O ATOM 1005 CB THR A 93 13.808 1.409 6.788 1.00 0.00 C ATOM 1006 OG1 THR A 93 12.994 0.821 5.786 1.00 0.00 O ATOM 1007 CG2 THR A 93 15.275 1.079 6.511 1.00 0.00 C ATOM 0 H THR A 93 12.753 -1.119 7.662 1.00 0.00 H new ATOM 0 HA THR A 93 14.069 1.263 8.920 1.00 0.00 H new ATOM 0 HB THR A 93 13.672 2.490 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.069 1.124 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.559 1.476 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.901 1.528 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.412 -0.002 6.516 1.00 0.00 H new ATOM 1015 N VAL A 94 11.173 0.294 8.920 1.00 0.00 N ATOM 1016 CA VAL A 94 9.741 0.589 9.246 1.00 0.00 C ATOM 1017 C VAL A 94 9.553 0.604 10.767 1.00 0.00 C ATOM 1018 O VAL A 94 9.993 -0.284 11.472 1.00 0.00 O ATOM 1019 CB VAL A 94 8.841 -0.485 8.626 1.00 0.00 C ATOM 1020 CG1 VAL A 94 7.402 0.028 8.539 1.00 0.00 C ATOM 1021 CG2 VAL A 94 9.339 -0.815 7.219 1.00 0.00 C ATOM 0 H VAL A 94 11.457 -0.674 9.073 1.00 0.00 H new ATOM 0 HA VAL A 94 9.471 1.564 8.840 1.00 0.00 H new ATOM 0 HB VAL A 94 8.871 -1.378 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.768 -0.741 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.040 0.267 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.372 0.924 7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.700 -1.579 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.310 0.084 6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.363 -1.185 7.273 1.00 0.00 H new ATOM 1031 N SER A 95 8.914 1.622 11.271 1.00 0.00 N ATOM 1032 CA SER A 95 8.693 1.737 12.743 1.00 0.00 C ATOM 1033 C SER A 95 7.749 0.633 13.243 1.00 0.00 C ATOM 1034 O SER A 95 7.528 -0.365 12.583 1.00 0.00 O ATOM 1035 CB SER A 95 8.084 3.109 13.040 1.00 0.00 C ATOM 1036 OG SER A 95 7.020 3.353 12.130 1.00 0.00 O ATOM 0 H SER A 95 8.530 2.390 10.720 1.00 0.00 H new ATOM 0 HA SER A 95 9.647 1.626 13.258 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.717 3.143 14.066 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.843 3.885 12.947 1.00 0.00 H new ATOM 0 HG SER A 95 6.625 4.230 12.317 1.00 0.00 H new ATOM 1042 N ARG A 96 7.200 0.810 14.418 1.00 0.00 N ATOM 1043 CA ARG A 96 6.274 -0.212 14.984 1.00 0.00 C ATOM 1044 C ARG A 96 5.066 -0.388 14.056 1.00 0.00 C ATOM 1045 O ARG A 96 4.608 -1.490 13.823 1.00 0.00 O ATOM 1046 CB ARG A 96 5.792 0.256 16.363 1.00 0.00 C ATOM 1047 CG ARG A 96 6.938 0.165 17.374 1.00 0.00 C ATOM 1048 CD ARG A 96 6.469 0.681 18.740 1.00 0.00 C ATOM 1049 NE ARG A 96 7.578 0.543 19.728 1.00 0.00 N ATOM 1050 CZ ARG A 96 7.448 1.009 20.945 1.00 0.00 C ATOM 1051 NH1 ARG A 96 6.338 1.591 21.311 1.00 0.00 N ATOM 1052 NH2 ARG A 96 8.429 0.889 21.798 1.00 0.00 N ATOM 0 H ARG A 96 7.356 1.625 15.012 1.00 0.00 H new ATOM 0 HA ARG A 96 6.797 -1.164 15.077 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.430 1.282 16.302 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.955 -0.359 16.693 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.276 -0.867 17.462 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.789 0.751 17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.164 1.725 18.662 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.597 0.118 19.074 1.00 0.00 H new ATOM 0 HE ARG A 96 8.445 0.082 19.453 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.568 1.684 20.648 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.241 1.953 22.260 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.297 0.432 21.517 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.328 1.252 22.746 1.00 0.00 H new ATOM 1066 N ARG A 97 4.552 0.691 13.524 1.00 0.00 N ATOM 1067 CA ARG A 97 3.380 0.604 12.603 1.00 0.00 C ATOM 1068 C ARG A 97 3.659 1.467 11.374 1.00 0.00 C ATOM 1069 O ARG A 97 3.380 1.076 10.258 1.00 0.00 O ATOM 1070 CB ARG A 97 2.126 1.120 13.320 1.00 0.00 C ATOM 1071 CG ARG A 97 1.736 0.147 14.437 1.00 0.00 C ATOM 1072 CD ARG A 97 0.461 0.638 15.128 1.00 0.00 C ATOM 1073 NE ARG A 97 0.722 1.938 15.809 1.00 0.00 N ATOM 1074 CZ ARG A 97 1.235 1.971 17.013 1.00 0.00 C ATOM 1075 NH1 ARG A 97 1.525 0.862 17.637 1.00 0.00 N ATOM 1076 NH2 ARG A 97 1.454 3.119 17.590 1.00 0.00 N ATOM 0 H ARG A 97 4.897 1.636 13.690 1.00 0.00 H new ATOM 0 HA ARG A 97 3.218 -0.431 12.301 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.314 2.110 13.735 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.305 1.223 12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.577 -0.850 14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.546 0.067 15.162 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.338 0.755 14.396 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.122 -0.101 15.854 1.00 0.00 H new ATOM 0 HE ARG A 97 0.498 2.811 15.332 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.352 -0.037 17.187 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.925 0.894 18.575 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.226 3.986 17.104 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.853 3.150 18.528 1.00 0.00 H new ATOM 1090 N HIS A 98 4.219 2.632 11.580 1.00 0.00 N ATOM 1091 CA HIS A 98 4.536 3.550 10.439 1.00 0.00 C ATOM 1092 C HIS A 98 3.251 3.922 9.696 1.00 0.00 C ATOM 1093 O HIS A 98 2.826 5.062 9.710 1.00 0.00 O ATOM 1094 CB HIS A 98 5.504 2.872 9.462 1.00 0.00 C ATOM 1095 CG HIS A 98 6.054 3.902 8.509 1.00 0.00 C ATOM 1096 ND1 HIS A 98 5.475 4.607 7.484 1.00 0.00 N flip ATOM 1097 CD2 HIS A 98 7.374 4.322 8.557 1.00 0.00 C flip ATOM 1098 CE1 HIS A 98 6.416 5.451 6.903 1.00 0.00 C flip ATOM 1099 NE2 HIS A 98 7.543 5.241 7.587 1.00 0.00 N flip ATOM 0 H HIS A 98 4.474 2.992 12.500 1.00 0.00 H new ATOM 0 HA HIS A 98 5.002 4.450 10.840 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.317 2.396 10.010 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.989 2.086 8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.129 3.975 9.247 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.267 6.130 6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.424 5.718 7.398 1.00 0.00 H new ATOM 1107 N ALA A 99 2.628 2.977 9.040 1.00 0.00 N ATOM 1108 CA ALA A 99 1.373 3.279 8.293 1.00 0.00 C ATOM 1109 C ALA A 99 0.393 2.119 8.457 1.00 0.00 C ATOM 1110 O ALA A 99 0.779 0.987 8.689 1.00 0.00 O ATOM 1111 CB ALA A 99 1.692 3.471 6.811 1.00 0.00 C ATOM 0 H ALA A 99 2.937 2.006 8.990 1.00 0.00 H new ATOM 0 HA ALA A 99 0.927 4.192 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.774 3.692 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.391 4.299 6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.139 2.560 6.414 1.00 0.00 H new ATOM 1117 N GLU A 100 -0.880 2.397 8.335 1.00 0.00 N ATOM 1118 CA GLU A 100 -1.903 1.321 8.479 1.00 0.00 C ATOM 1119 C GLU A 100 -2.987 1.501 7.418 1.00 0.00 C ATOM 1120 O GLU A 100 -3.379 2.605 7.090 1.00 0.00 O ATOM 1121 CB GLU A 100 -2.536 1.409 9.867 1.00 0.00 C ATOM 1122 CG GLU A 100 -3.540 0.267 10.040 1.00 0.00 C ATOM 1123 CD GLU A 100 -4.119 0.302 11.453 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -3.906 1.289 12.136 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -4.770 -0.660 11.827 1.00 0.00 O ATOM 0 H GLU A 100 -1.255 3.326 8.141 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.428 0.348 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.765 1.350 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.036 2.370 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.341 0.359 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.051 -0.691 9.860 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.479 0.413 6.878 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.542 0.495 5.836 1.00 0.00 C ATOM 1134 C PHE A 101 -5.900 0.225 6.474 1.00 0.00 C ATOM 1135 O PHE A 101 -6.039 -0.630 7.328 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.272 -0.550 4.759 1.00 0.00 C ATOM 1137 CG PHE A 101 -2.906 -0.306 4.161 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -2.695 0.808 3.338 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -1.852 -1.188 4.429 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.431 1.039 2.783 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.588 -0.957 3.873 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.378 0.156 3.050 1.00 0.00 C ATOM 0 H PHE A 101 -3.186 -0.534 7.118 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.541 1.490 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.321 -1.551 5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.036 -0.496 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.508 1.489 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.014 -2.046 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.268 1.898 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.225 -1.637 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.597 0.333 2.621 1.00 0.00 H new ATOM 1152 N ARG A 102 -6.905 0.955 6.064 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.268 0.767 6.636 1.00 0.00 C ATOM 1154 C ARG A 102 -9.280 0.639 5.508 1.00 0.00 C ATOM 1155 O ARG A 102 -9.194 1.315 4.500 1.00 0.00 O ATOM 1156 CB ARG A 102 -8.623 1.985 7.490 1.00 0.00 C ATOM 1157 CG ARG A 102 -7.573 2.181 8.595 1.00 0.00 C ATOM 1158 CD ARG A 102 -7.726 1.105 9.678 1.00 0.00 C ATOM 1159 NE ARG A 102 -9.145 1.047 10.130 1.00 0.00 N ATOM 1160 CZ ARG A 102 -9.593 1.892 11.019 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -8.798 2.794 11.525 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -10.839 1.836 11.395 1.00 0.00 N ATOM 0 H ARG A 102 -6.837 1.680 5.350 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.286 -0.136 7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.673 2.876 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.609 1.852 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.572 2.134 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.684 3.170 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.419 0.135 9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.074 1.329 10.522 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.771 0.342 9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.824 2.840 11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.151 3.453 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.461 1.134 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.192 2.494 12.089 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.248 -0.228 5.681 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.301 -0.423 4.644 1.00 0.00 C ATOM 1178 C LEU A 103 -12.653 0.010 5.213 1.00 0.00 C ATOM 1179 O LEU A 103 -13.130 -0.523 6.196 1.00 0.00 O ATOM 1180 CB LEU A 103 -11.350 -1.899 4.236 1.00 0.00 C ATOM 1181 CG LEU A 103 -12.383 -2.112 3.119 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -12.005 -1.298 1.868 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -12.438 -3.603 2.765 1.00 0.00 C ATOM 0 H LEU A 103 -10.352 -0.815 6.509 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.071 0.180 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.366 -2.222 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.607 -2.513 5.099 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.359 -1.775 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.749 -1.462 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.972 -0.238 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.026 -1.616 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.169 -3.762 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.456 -3.933 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.727 -4.176 3.646 1.00 0.00 H new ATOM 1195 N GLU A 104 -13.268 0.982 4.597 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.585 1.472 5.084 1.00 0.00 C ATOM 1197 C GLU A 104 -15.291 2.224 3.951 1.00 0.00 C ATOM 1198 O GLU A 104 -16.503 2.200 3.831 1.00 0.00 O ATOM 1199 CB GLU A 104 -14.364 2.420 6.272 1.00 0.00 C ATOM 1200 CG GLU A 104 -13.520 3.616 5.823 1.00 0.00 C ATOM 1201 CD GLU A 104 -13.216 4.511 7.023 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -13.778 4.265 8.077 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -12.426 5.428 6.867 1.00 0.00 O ATOM 0 H GLU A 104 -12.910 1.461 3.770 1.00 0.00 H new ATOM 0 HA GLU A 104 -15.200 0.630 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -15.323 2.764 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.863 1.892 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.591 3.269 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.053 4.183 5.060 1.00 0.00 H new ATOM 1210 N ASN A 105 -14.538 2.901 3.122 1.00 0.00 N ATOM 1211 CA ASN A 105 -15.150 3.663 1.995 1.00 0.00 C ATOM 1212 C ASN A 105 -15.277 2.744 0.774 1.00 0.00 C ATOM 1213 O ASN A 105 -15.015 3.135 -0.349 1.00 0.00 O ATOM 1214 CB ASN A 105 -14.264 4.869 1.660 1.00 0.00 C ATOM 1215 CG ASN A 105 -14.251 5.843 2.844 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -15.300 5.931 3.618 1.00 0.00 O flip ATOM 1217 ND2 ASN A 105 -13.276 6.533 3.068 1.00 0.00 N flip ATOM 0 H ASN A 105 -13.521 2.958 3.179 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.141 4.017 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -13.250 4.537 1.438 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -14.638 5.371 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -12.455 6.467 2.466 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -13.278 7.178 3.858 1.00 0.00 H new ATOM 1224 N ASN A 106 -15.682 1.521 0.997 1.00 0.00 N ATOM 1225 CA ASN A 106 -15.836 0.549 -0.127 1.00 0.00 C ATOM 1226 C ASN A 106 -14.507 0.397 -0.873 1.00 0.00 C ATOM 1227 O ASN A 106 -14.411 -0.331 -1.842 1.00 0.00 O ATOM 1228 CB ASN A 106 -16.914 1.049 -1.097 1.00 0.00 C ATOM 1229 CG ASN A 106 -17.288 -0.071 -2.073 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -16.724 -1.149 -2.025 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -18.223 0.138 -2.958 1.00 0.00 N ATOM 0 H ASN A 106 -15.915 1.150 1.918 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.132 -0.419 0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -17.795 1.371 -0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.549 1.917 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.482 -0.602 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.695 1.041 -2.998 1.00 0.00 H new ATOM 1238 N GLU A 107 -13.478 1.071 -0.428 1.00 0.00 N ATOM 1239 CA GLU A 107 -12.154 0.959 -1.112 1.00 0.00 C ATOM 1240 C GLU A 107 -11.031 0.992 -0.079 1.00 0.00 C ATOM 1241 O GLU A 107 -11.190 1.486 1.020 1.00 0.00 O ATOM 1242 CB GLU A 107 -11.979 2.119 -2.094 1.00 0.00 C ATOM 1243 CG GLU A 107 -12.944 1.946 -3.266 1.00 0.00 C ATOM 1244 CD GLU A 107 -12.800 3.126 -4.224 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -11.954 3.968 -3.971 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -13.539 3.170 -5.193 1.00 0.00 O ATOM 0 H GLU A 107 -13.497 1.694 0.379 1.00 0.00 H new ATOM 0 HA GLU A 107 -12.115 0.015 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.168 3.067 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.952 2.150 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.735 1.012 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -13.969 1.884 -2.901 1.00 0.00 H new ATOM 1253 N PHE A 108 -9.892 0.462 -0.430 1.00 0.00 N ATOM 1254 CA PHE A 108 -8.746 0.446 0.520 1.00 0.00 C ATOM 1255 C PHE A 108 -8.141 1.842 0.637 1.00 0.00 C ATOM 1256 O PHE A 108 -8.030 2.568 -0.331 1.00 0.00 O ATOM 1257 CB PHE A 108 -7.682 -0.522 0.003 1.00 0.00 C ATOM 1258 CG PHE A 108 -8.166 -1.940 0.188 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -8.071 -2.548 1.445 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -8.712 -2.643 -0.892 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -8.521 -3.861 1.622 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -9.163 -3.956 -0.715 1.00 0.00 C ATOM 1263 CZ PHE A 108 -9.066 -4.565 0.541 1.00 0.00 C ATOM 0 H PHE A 108 -9.706 0.037 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.098 0.127 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.479 -0.329 -1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.746 -0.372 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.651 -2.004 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.785 -2.173 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.448 -4.331 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.586 -4.499 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.412 -5.579 0.677 1.00 0.00 H new ATOM 1273 N ASN A 109 -7.738 2.220 1.825 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.129 3.566 2.022 1.00 0.00 C ATOM 1275 C ASN A 109 -5.950 3.457 2.984 1.00 0.00 C ATOM 1276 O ASN A 109 -5.690 2.411 3.548 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.172 4.528 2.597 1.00 0.00 C ATOM 1278 CG ASN A 109 -8.657 4.027 3.958 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -7.945 3.329 4.657 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -9.852 4.356 4.366 1.00 0.00 N ATOM 0 H ASN A 109 -7.806 1.650 2.668 1.00 0.00 H new ATOM 0 HA ASN A 109 -6.781 3.946 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.741 5.524 2.700 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.015 4.615 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -10.190 4.028 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -10.448 4.941 3.780 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.226 4.536 3.165 1.00 0.00 N ATOM 1288 CA VAL A 110 -4.046 4.524 4.078 1.00 0.00 C ATOM 1289 C VAL A 110 -4.173 5.649 5.105 1.00 0.00 C ATOM 1290 O VAL A 110 -4.499 6.775 4.775 1.00 0.00 O ATOM 1291 CB VAL A 110 -2.768 4.708 3.257 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -2.683 6.139 2.718 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.556 4.431 4.147 1.00 0.00 C ATOM 0 H VAL A 110 -5.407 5.432 2.713 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.003 3.570 4.604 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.782 4.014 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.769 6.255 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.546 6.340 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.674 6.842 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.642 4.560 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.555 5.126 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.606 3.409 4.522 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.909 5.342 6.354 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.995 6.365 7.436 1.00 0.00 C ATOM 1305 C VAL A 111 -2.678 6.378 8.216 1.00 0.00 C ATOM 1306 O VAL A 111 -2.176 5.350 8.628 1.00 0.00 O ATOM 1307 CB VAL A 111 -5.146 6.001 8.380 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -5.074 6.863 9.648 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -6.480 6.251 7.670 1.00 0.00 C ATOM 0 H VAL A 111 -3.634 4.412 6.670 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.175 7.350 7.005 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.066 4.950 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.895 6.599 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.125 6.687 10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.151 7.916 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.302 5.993 8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.553 7.303 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.535 5.635 6.772 1.00 0.00 H new ATOM 1319 N ASP A 112 -2.117 7.538 8.420 1.00 0.00 N ATOM 1320 CA ASP A 112 -0.836 7.625 9.172 1.00 0.00 C ATOM 1321 C ASP A 112 -1.108 7.611 10.681 1.00 0.00 C ATOM 1322 O ASP A 112 -2.171 7.984 11.136 1.00 0.00 O ATOM 1323 CB ASP A 112 -0.121 8.925 8.799 1.00 0.00 C ATOM 1324 CG ASP A 112 1.246 8.970 9.480 1.00 0.00 C ATOM 1325 OD1 ASP A 112 2.065 8.115 9.182 1.00 0.00 O ATOM 1326 OD2 ASP A 112 1.457 9.863 10.284 1.00 0.00 O ATOM 0 H ASP A 112 -2.492 8.430 8.097 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.211 6.769 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.002 8.989 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.720 9.783 9.106 1.00 0.00 H new ATOM 1331 N VAL A 113 -0.143 7.187 11.458 1.00 0.00 N ATOM 1332 CA VAL A 113 -0.323 7.155 12.938 1.00 0.00 C ATOM 1333 C VAL A 113 0.251 8.446 13.534 1.00 0.00 C ATOM 1334 O VAL A 113 0.084 8.736 14.703 1.00 0.00 O ATOM 1335 CB VAL A 113 0.420 5.939 13.509 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -0.327 4.661 13.118 1.00 0.00 C ATOM 1337 CG2 VAL A 113 1.845 5.886 12.939 1.00 0.00 C ATOM 0 H VAL A 113 0.765 6.861 11.127 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.381 7.078 13.189 1.00 0.00 H new ATOM 0 HB VAL A 113 0.468 6.023 14.595 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.198 3.795 13.522 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.339 4.693 13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.372 4.584 12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.368 5.021 13.347 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.800 5.803 11.853 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.380 6.796 13.212 1.00 0.00 H new ATOM 1405 N THR A 119 3.275 9.768 6.339 1.00 0.00 N ATOM 1406 CA THR A 119 3.357 9.134 4.995 1.00 0.00 C ATOM 1407 C THR A 119 2.814 10.083 3.926 1.00 0.00 C ATOM 1408 O THR A 119 2.103 11.028 4.213 1.00 0.00 O ATOM 1409 CB THR A 119 2.536 7.845 4.994 1.00 0.00 C ATOM 1410 OG1 THR A 119 3.146 6.901 5.863 1.00 0.00 O ATOM 1411 CG2 THR A 119 2.475 7.270 3.576 1.00 0.00 C ATOM 0 HA THR A 119 4.400 8.910 4.771 1.00 0.00 H new ATOM 0 HB THR A 119 1.524 8.060 5.337 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.642 7.374 6.564 1.00 0.00 H new ATOM 0 HG21 THR A 119 1.889 6.351 3.581 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.008 7.995 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.485 7.054 3.227 1.00 0.00 H new ATOM 1419 N TYR A 120 3.146 9.828 2.687 1.00 0.00 N ATOM 1420 CA TYR A 120 2.661 10.699 1.580 1.00 0.00 C ATOM 1421 C TYR A 120 2.336 9.850 0.353 1.00 0.00 C ATOM 1422 O TYR A 120 2.759 8.716 0.236 1.00 0.00 O ATOM 1423 CB TYR A 120 3.745 11.718 1.224 1.00 0.00 C ATOM 1424 CG TYR A 120 5.040 11.010 0.898 1.00 0.00 C ATOM 1425 CD1 TYR A 120 5.295 10.583 -0.412 1.00 0.00 C ATOM 1426 CD2 TYR A 120 5.994 10.792 1.901 1.00 0.00 C ATOM 1427 CE1 TYR A 120 6.505 9.946 -0.720 1.00 0.00 C ATOM 1428 CE2 TYR A 120 7.201 10.151 1.594 1.00 0.00 C ATOM 1429 CZ TYR A 120 7.456 9.727 0.283 1.00 0.00 C ATOM 1430 OH TYR A 120 8.649 9.102 -0.020 1.00 0.00 O ATOM 0 H TYR A 120 3.736 9.049 2.395 1.00 0.00 H new ATOM 0 HA TYR A 120 1.759 11.220 1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 120 3.425 12.317 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 120 3.897 12.404 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.558 10.745 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 120 5.798 11.119 2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.703 9.624 -1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.935 9.983 2.368 1.00 0.00 H new ATOM 0 HH TYR A 120 9.196 9.030 0.790 1.00 0.00 H new ATOM 1440 N VAL A 121 1.574 10.402 -0.564 1.00 0.00 N ATOM 1441 CA VAL A 121 1.190 9.655 -1.802 1.00 0.00 C ATOM 1442 C VAL A 121 1.808 10.334 -3.028 1.00 0.00 C ATOM 1443 O VAL A 121 1.729 11.537 -3.200 1.00 0.00 O ATOM 1444 CB VAL A 121 -0.338 9.630 -1.925 1.00 0.00 C ATOM 1445 CG1 VAL A 121 -0.868 11.025 -2.265 1.00 0.00 C ATOM 1446 CG2 VAL A 121 -0.740 8.650 -3.027 1.00 0.00 C ATOM 0 H VAL A 121 1.199 11.349 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 121 1.562 8.632 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.765 9.314 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.954 10.991 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.587 11.723 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.441 11.356 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.826 8.630 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.303 8.968 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.378 7.653 -2.777 1.00 0.00 H new ATOM 1456 N ASN A 122 2.436 9.561 -3.875 1.00 0.00 N ATOM 1457 CA ASN A 122 3.084 10.125 -5.098 1.00 0.00 C ATOM 1458 C ASN A 122 3.844 11.408 -4.755 1.00 0.00 C ATOM 1459 O ASN A 122 5.008 11.382 -4.403 1.00 0.00 O ATOM 1460 CB ASN A 122 2.021 10.448 -6.150 1.00 0.00 C ATOM 1461 CG ASN A 122 1.344 9.159 -6.608 1.00 0.00 C ATOM 1462 OD1 ASN A 122 1.983 8.286 -7.166 1.00 0.00 O ATOM 1463 ND2 ASN A 122 0.067 8.999 -6.398 1.00 0.00 N ATOM 0 H ASN A 122 2.529 8.551 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 122 3.781 9.384 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 122 1.280 11.132 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 122 2.479 10.952 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -0.396 8.142 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.469 9.730 -5.930 1.00 0.00 H new ATOM 1470 N ARG A 123 3.194 12.536 -4.867 1.00 0.00 N ATOM 1471 CA ARG A 123 3.870 13.829 -4.558 1.00 0.00 C ATOM 1472 C ARG A 123 2.864 14.773 -3.895 1.00 0.00 C ATOM 1473 O ARG A 123 2.818 15.953 -4.185 1.00 0.00 O ATOM 1474 CB ARG A 123 4.402 14.455 -5.857 1.00 0.00 C ATOM 1475 CG ARG A 123 3.282 14.535 -6.899 1.00 0.00 C ATOM 1476 CD ARG A 123 3.797 15.253 -8.155 1.00 0.00 C ATOM 1477 NE ARG A 123 4.869 14.437 -8.795 1.00 0.00 N ATOM 1478 CZ ARG A 123 5.521 14.890 -9.836 1.00 0.00 C ATOM 1479 NH1 ARG A 123 5.218 16.052 -10.348 1.00 0.00 N ATOM 1480 NH2 ARG A 123 6.471 14.175 -10.370 1.00 0.00 N ATOM 0 H ARG A 123 2.220 12.617 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 123 4.706 13.657 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 123 4.794 15.452 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.229 13.860 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 123 2.938 13.533 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 123 2.426 15.070 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.978 15.411 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 123 4.184 16.237 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 123 5.096 13.517 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.470 16.611 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.729 16.401 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 123 6.706 13.264 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.980 14.527 -11.181 1.00 0.00 H new ATOM 1494 N GLU A 124 2.056 14.258 -2.999 1.00 0.00 N ATOM 1495 CA GLU A 124 1.047 15.116 -2.308 1.00 0.00 C ATOM 1496 C GLU A 124 0.851 14.608 -0.873 1.00 0.00 C ATOM 1497 O GLU A 124 -0.074 13.870 -0.593 1.00 0.00 O ATOM 1498 CB GLU A 124 -0.285 15.035 -3.063 1.00 0.00 C ATOM 1499 CG GLU A 124 -0.051 15.349 -4.541 1.00 0.00 C ATOM 1500 CD GLU A 124 -1.392 15.548 -5.248 1.00 0.00 C ATOM 1501 OE1 GLU A 124 -1.994 16.591 -5.049 1.00 0.00 O ATOM 1502 OE2 GLU A 124 -1.789 14.659 -5.981 1.00 0.00 O ATOM 0 H GLU A 124 2.053 13.278 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 124 1.393 16.149 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.717 14.040 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.000 15.740 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.559 16.247 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 124 0.501 14.536 -5.012 1.00 0.00 H new ATOM 1509 N PRO A 125 1.720 14.997 0.028 1.00 0.00 N ATOM 1510 CA PRO A 125 1.647 14.572 1.463 1.00 0.00 C ATOM 1511 C PRO A 125 0.296 14.903 2.114 1.00 0.00 C ATOM 1512 O PRO A 125 -0.180 16.021 2.054 1.00 0.00 O ATOM 1513 CB PRO A 125 2.795 15.350 2.136 1.00 0.00 C ATOM 1514 CG PRO A 125 3.738 15.685 1.025 1.00 0.00 C ATOM 1515 CD PRO A 125 2.871 15.878 -0.218 1.00 0.00 C ATOM 0 HA PRO A 125 1.740 13.491 1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.427 16.251 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 125 3.285 14.748 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 125 4.302 16.590 1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 125 4.464 14.886 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.563 16.917 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.404 15.598 -1.127 1.00 0.00 H new ATOM 1523 N VAL A 126 -0.321 13.933 2.742 1.00 0.00 N ATOM 1524 CA VAL A 126 -1.637 14.180 3.402 1.00 0.00 C ATOM 1525 C VAL A 126 -1.805 13.240 4.602 1.00 0.00 C ATOM 1526 O VAL A 126 -1.134 12.233 4.718 1.00 0.00 O ATOM 1527 CB VAL A 126 -2.771 13.939 2.398 1.00 0.00 C ATOM 1528 CG1 VAL A 126 -2.703 14.996 1.292 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -2.635 12.541 1.781 1.00 0.00 C ATOM 0 H VAL A 126 0.032 12.980 2.825 1.00 0.00 H new ATOM 0 HA VAL A 126 -1.673 15.213 3.749 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.729 14.009 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.508 14.827 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -2.809 15.988 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -1.743 14.926 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.444 12.377 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.677 12.462 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -2.687 11.789 2.568 1.00 0.00 H new ATOM 1539 N ASP A 127 -2.710 13.562 5.491 1.00 0.00 N ATOM 1540 CA ASP A 127 -2.949 12.694 6.683 1.00 0.00 C ATOM 1541 C ASP A 127 -3.489 11.333 6.227 1.00 0.00 C ATOM 1542 O ASP A 127 -3.149 10.301 6.773 1.00 0.00 O ATOM 1543 CB ASP A 127 -3.976 13.373 7.594 1.00 0.00 C ATOM 1544 CG ASP A 127 -4.253 12.493 8.814 1.00 0.00 C ATOM 1545 OD1 ASP A 127 -3.768 11.374 8.838 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -4.949 12.953 9.705 1.00 0.00 O ATOM 0 H ASP A 127 -3.297 14.395 5.442 1.00 0.00 H new ATOM 0 HA ASP A 127 -2.015 12.546 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.604 14.346 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.901 13.550 7.045 1.00 0.00 H new ATOM 1551 N SER A 128 -4.327 11.323 5.226 1.00 0.00 N ATOM 1552 CA SER A 128 -4.887 10.030 4.733 1.00 0.00 C ATOM 1553 C SER A 128 -5.257 10.164 3.256 1.00 0.00 C ATOM 1554 O SER A 128 -5.561 11.238 2.776 1.00 0.00 O ATOM 1555 CB SER A 128 -6.137 9.664 5.535 1.00 0.00 C ATOM 1556 OG SER A 128 -6.659 8.433 5.051 1.00 0.00 O ATOM 0 H SER A 128 -4.648 12.153 4.728 1.00 0.00 H new ATOM 0 HA SER A 128 -4.138 9.248 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.892 9.578 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.886 10.451 5.444 1.00 0.00 H new ATOM 0 HG SER A 128 -5.960 7.747 5.080 1.00 0.00 H new ATOM 1562 N ALA A 129 -5.235 9.077 2.527 1.00 0.00 N ATOM 1563 CA ALA A 129 -5.585 9.144 1.077 1.00 0.00 C ATOM 1564 C ALA A 129 -6.171 7.808 0.616 1.00 0.00 C ATOM 1565 O ALA A 129 -5.871 6.760 1.157 1.00 0.00 O ATOM 1566 CB ALA A 129 -4.326 9.458 0.262 1.00 0.00 C ATOM 0 H ALA A 129 -4.990 8.149 2.872 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.326 9.929 0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.581 9.507 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.915 10.416 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.585 8.675 0.421 1.00 0.00 H new ATOM 1572 N VAL A 130 -7.011 7.843 -0.386 1.00 0.00 N ATOM 1573 CA VAL A 130 -7.635 6.591 -0.898 1.00 0.00 C ATOM 1574 C VAL A 130 -6.704 5.922 -1.916 1.00 0.00 C ATOM 1575 O VAL A 130 -6.215 6.546 -2.837 1.00 0.00 O ATOM 1576 CB VAL A 130 -8.965 6.943 -1.562 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -9.541 5.712 -2.267 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -9.947 7.420 -0.491 1.00 0.00 C ATOM 0 H VAL A 130 -7.292 8.693 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.805 5.898 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.804 7.731 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.489 5.973 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.841 5.368 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.704 4.918 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -10.899 7.673 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.101 6.627 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.542 8.300 0.008 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.459 4.649 -1.745 1.00 0.00 N ATOM 1589 CA LEU A 131 -5.558 3.921 -2.681 1.00 0.00 C ATOM 1590 C LEU A 131 -6.295 3.594 -3.978 1.00 0.00 C ATOM 1591 O LEU A 131 -7.491 3.371 -3.997 1.00 0.00 O ATOM 1592 CB LEU A 131 -5.092 2.621 -2.026 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.247 2.936 -0.784 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -3.973 1.639 -0.016 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -2.909 3.584 -1.193 1.00 0.00 C ATOM 0 H LEU A 131 -6.848 4.081 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.699 4.553 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -5.954 2.015 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.507 2.035 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.795 3.634 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -3.373 1.859 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -4.918 1.191 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -3.433 0.943 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.322 3.801 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.354 2.899 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.104 4.510 -1.733 1.00 0.00 H new ATOM 1607 N ALA A 132 -5.575 3.551 -5.068 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.207 3.230 -6.376 1.00 0.00 C ATOM 1609 C ALA A 132 -5.193 2.507 -7.264 1.00 0.00 C ATOM 1610 O ALA A 132 -3.995 2.618 -7.086 1.00 0.00 O ATOM 1611 CB ALA A 132 -6.667 4.519 -7.057 1.00 0.00 C ATOM 0 H ALA A 132 -4.571 3.726 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.071 2.586 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.129 4.280 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.392 5.028 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -5.808 5.170 -7.221 1.00 0.00 H new ATOM 1617 N ASN A 133 -5.678 1.754 -8.209 1.00 0.00 N ATOM 1618 CA ASN A 133 -4.772 0.993 -9.117 1.00 0.00 C ATOM 1619 C ASN A 133 -3.803 1.928 -9.848 1.00 0.00 C ATOM 1620 O ASN A 133 -4.175 2.973 -10.347 1.00 0.00 O ATOM 1621 CB ASN A 133 -5.622 0.242 -10.138 1.00 0.00 C ATOM 1622 CG ASN A 133 -4.715 -0.559 -11.071 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -3.727 -0.050 -11.566 1.00 0.00 O ATOM 1624 ND2 ASN A 133 -5.007 -1.803 -11.333 1.00 0.00 N ATOM 0 H ASN A 133 -6.673 1.631 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 133 -4.182 0.296 -8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -6.316 -0.426 -9.627 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -6.223 0.946 -10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -4.407 -2.348 -11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -5.835 -2.231 -10.919 1.00 0.00 H new ATOM 1631 N GLY A 134 -2.555 1.537 -9.917 1.00 0.00 N ATOM 1632 CA GLY A 134 -1.534 2.370 -10.613 1.00 0.00 C ATOM 1633 C GLY A 134 -0.990 3.414 -9.643 1.00 0.00 C ATOM 1634 O GLY A 134 -0.290 4.331 -10.029 1.00 0.00 O ATOM 0 H GLY A 134 -2.200 0.669 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -0.723 1.741 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.977 2.859 -11.481 1.00 0.00 H new ATOM 1638 N ASP A 135 -1.310 3.290 -8.381 1.00 0.00 N ATOM 1639 CA ASP A 135 -0.807 4.292 -7.391 1.00 0.00 C ATOM 1640 C ASP A 135 0.544 3.850 -6.830 1.00 0.00 C ATOM 1641 O ASP A 135 0.881 2.682 -6.833 1.00 0.00 O ATOM 1642 CB ASP A 135 -1.808 4.452 -6.249 1.00 0.00 C ATOM 1643 CG ASP A 135 -3.049 5.178 -6.763 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -3.015 5.639 -7.892 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -4.013 5.260 -6.021 1.00 0.00 O ATOM 0 H ASP A 135 -1.892 2.547 -7.995 1.00 0.00 H new ATOM 0 HA ASP A 135 -0.686 5.249 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.083 3.475 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.357 5.014 -5.431 1.00 0.00 H new ATOM 1650 N GLU A 136 1.319 4.789 -6.346 1.00 0.00 N ATOM 1651 CA GLU A 136 2.660 4.463 -5.774 1.00 0.00 C ATOM 1652 C GLU A 136 2.619 4.634 -4.258 1.00 0.00 C ATOM 1653 O GLU A 136 2.061 5.583 -3.744 1.00 0.00 O ATOM 1654 CB GLU A 136 3.695 5.410 -6.378 1.00 0.00 C ATOM 1655 CG GLU A 136 3.887 5.049 -7.850 1.00 0.00 C ATOM 1656 CD GLU A 136 4.863 6.024 -8.507 1.00 0.00 C ATOM 1657 OE1 GLU A 136 5.340 6.911 -7.817 1.00 0.00 O ATOM 1658 OE2 GLU A 136 5.117 5.869 -9.690 1.00 0.00 O ATOM 0 H GLU A 136 1.075 5.779 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 136 2.928 3.432 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 136 3.363 6.444 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.641 5.328 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 136 4.265 4.030 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 136 2.928 5.078 -8.368 1.00 0.00 H new ATOM 1665 N VAL A 137 3.198 3.702 -3.537 1.00 0.00 N ATOM 1666 CA VAL A 137 3.196 3.772 -2.045 1.00 0.00 C ATOM 1667 C VAL A 137 4.631 3.703 -1.531 1.00 0.00 C ATOM 1668 O VAL A 137 5.411 2.867 -1.946 1.00 0.00 O ATOM 1669 CB VAL A 137 2.392 2.598 -1.487 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.586 2.510 0.031 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.912 2.812 -1.802 1.00 0.00 C ATOM 0 H VAL A 137 3.676 2.889 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 137 2.743 4.709 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 137 2.736 1.670 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.011 1.671 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.642 2.362 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.243 3.434 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.332 1.978 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.573 3.740 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.775 2.870 -2.882 1.00 0.00 H new ATOM 1681 N GLN A 138 4.977 4.576 -0.619 1.00 0.00 N ATOM 1682 CA GLN A 138 6.355 4.582 -0.048 1.00 0.00 C ATOM 1683 C GLN A 138 6.263 4.431 1.470 1.00 0.00 C ATOM 1684 O GLN A 138 5.750 5.291 2.161 1.00 0.00 O ATOM 1685 CB GLN A 138 7.035 5.909 -0.386 1.00 0.00 C ATOM 1686 CG GLN A 138 8.540 5.788 -0.145 1.00 0.00 C ATOM 1687 CD GLN A 138 9.171 4.964 -1.271 1.00 0.00 C ATOM 1688 OE1 GLN A 138 8.411 4.480 -2.217 1.00 0.00 O flip ATOM 1689 NE2 GLN A 138 10.369 4.757 -1.288 1.00 0.00 N flip ATOM 0 H GLN A 138 4.355 5.292 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 138 6.935 3.759 -0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 138 6.843 6.174 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.621 6.709 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.994 6.778 -0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 138 8.728 5.313 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 138 10.962 5.135 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 138 10.781 4.205 -2.041 1.00 0.00 H new ATOM 1698 N ILE A 139 6.761 3.337 1.996 1.00 0.00 N ATOM 1699 CA ILE A 139 6.716 3.108 3.474 1.00 0.00 C ATOM 1700 C ILE A 139 8.085 2.646 3.966 1.00 0.00 C ATOM 1701 O ILE A 139 8.606 1.640 3.520 1.00 0.00 O ATOM 1702 CB ILE A 139 5.681 2.028 3.789 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.285 2.546 3.430 1.00 0.00 C ATOM 1704 CG2 ILE A 139 5.741 1.683 5.281 1.00 0.00 C ATOM 1705 CD1 ILE A 139 3.274 1.398 3.496 1.00 0.00 C ATOM 0 H ILE A 139 7.200 2.588 1.460 1.00 0.00 H new ATOM 0 HA ILE A 139 6.444 4.038 3.973 1.00 0.00 H new ATOM 0 HB ILE A 139 5.894 1.132 3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.993 3.340 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.294 2.978 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 139 5.003 0.913 5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 139 6.737 1.316 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 139 5.526 2.575 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.282 1.771 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.562 0.619 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.257 0.986 4.505 1.00 0.00 H new ATOM 1717 N GLY A 140 8.658 3.372 4.897 1.00 0.00 N ATOM 1718 CA GLY A 140 9.996 3.004 5.466 1.00 0.00 C ATOM 1719 C GLY A 140 10.894 2.387 4.394 1.00 0.00 C ATOM 1720 O GLY A 140 11.145 1.201 4.390 1.00 0.00 O ATOM 0 H GLY A 140 8.249 4.218 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 140 10.475 3.891 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 140 9.865 2.299 6.287 1.00 0.00 H new ATOM 1724 N LYS A 141 11.374 3.194 3.495 1.00 0.00 N ATOM 1725 CA LYS A 141 12.265 2.685 2.410 1.00 0.00 C ATOM 1726 C LYS A 141 11.496 1.707 1.513 1.00 0.00 C ATOM 1727 O LYS A 141 11.320 1.948 0.335 1.00 0.00 O ATOM 1728 CB LYS A 141 13.482 1.969 3.033 1.00 0.00 C ATOM 1729 CG LYS A 141 14.728 2.191 2.167 1.00 0.00 C ATOM 1730 CD LYS A 141 14.503 1.595 0.775 1.00 0.00 C ATOM 1731 CE LYS A 141 15.793 1.702 -0.037 1.00 0.00 C ATOM 1732 NZ LYS A 141 15.605 1.037 -1.357 1.00 0.00 N ATOM 0 H LYS A 141 11.188 4.196 3.462 1.00 0.00 H new ATOM 0 HA LYS A 141 12.607 3.526 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 141 13.658 2.346 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 141 13.278 0.902 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 141 14.941 3.257 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 141 15.596 1.727 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 141 14.198 0.552 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 141 13.696 2.123 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 141 16.060 2.749 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 141 16.616 1.235 0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 16.483 1.109 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 15.370 0.035 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 14.831 1.502 -1.873 1.00 0.00 H new ATOM 1746 N PHE A 142 11.062 0.601 2.067 1.00 0.00 N ATOM 1747 CA PHE A 142 10.322 -0.424 1.273 1.00 0.00 C ATOM 1748 C PHE A 142 9.421 0.248 0.232 1.00 0.00 C ATOM 1749 O PHE A 142 8.583 1.068 0.552 1.00 0.00 O ATOM 1750 CB PHE A 142 9.472 -1.277 2.224 1.00 0.00 C ATOM 1751 CG PHE A 142 10.340 -2.321 2.890 1.00 0.00 C ATOM 1752 CD1 PHE A 142 10.926 -3.326 2.114 1.00 0.00 C ATOM 1753 CD2 PHE A 142 10.553 -2.291 4.274 1.00 0.00 C ATOM 1754 CE1 PHE A 142 11.720 -4.303 2.718 1.00 0.00 C ATOM 1755 CE2 PHE A 142 11.349 -3.270 4.885 1.00 0.00 C ATOM 1756 CZ PHE A 142 11.933 -4.277 4.103 1.00 0.00 C ATOM 0 H PHE A 142 11.192 0.364 3.050 1.00 0.00 H new ATOM 0 HA PHE A 142 11.039 -1.056 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.007 -0.643 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 142 8.666 -1.760 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 142 10.764 -3.347 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 142 10.103 -1.512 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 142 12.170 -5.079 2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 142 11.512 -3.249 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 142 12.548 -5.033 4.569 1.00 0.00 H new ATOM 1766 N ARG A 143 9.608 -0.093 -1.017 1.00 0.00 N ATOM 1767 CA ARG A 143 8.790 0.520 -2.099 1.00 0.00 C ATOM 1768 C ARG A 143 7.697 -0.458 -2.527 1.00 0.00 C ATOM 1769 O ARG A 143 7.947 -1.627 -2.756 1.00 0.00 O ATOM 1770 CB ARG A 143 9.695 0.830 -3.288 1.00 0.00 C ATOM 1771 CG ARG A 143 10.689 1.928 -2.900 1.00 0.00 C ATOM 1772 CD ARG A 143 11.590 2.254 -4.095 1.00 0.00 C ATOM 1773 NE ARG A 143 12.576 3.301 -3.705 1.00 0.00 N ATOM 1774 CZ ARG A 143 13.240 3.961 -4.617 1.00 0.00 C ATOM 1775 NH1 ARG A 143 13.034 3.717 -5.883 1.00 0.00 N ATOM 1776 NH2 ARG A 143 14.107 4.868 -4.262 1.00 0.00 N ATOM 0 H ARG A 143 10.298 -0.775 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 143 8.327 1.439 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.231 -0.068 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.096 1.151 -4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 143 10.152 2.822 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.294 1.602 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.110 1.356 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.987 2.602 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 143 12.734 3.504 -2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.354 3.010 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 143 13.553 4.233 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 143 14.266 5.062 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 143 14.626 5.384 -4.973 1.00 0.00 H new ATOM 1790 N LEU A 144 6.482 0.016 -2.633 1.00 0.00 N ATOM 1791 CA LEU A 144 5.354 -0.869 -3.041 1.00 0.00 C ATOM 1792 C LEU A 144 4.460 -0.128 -4.029 1.00 0.00 C ATOM 1793 O LEU A 144 4.422 1.087 -4.057 1.00 0.00 O ATOM 1794 CB LEU A 144 4.529 -1.248 -1.811 1.00 0.00 C ATOM 1795 CG LEU A 144 5.441 -1.883 -0.732 1.00 0.00 C ATOM 1796 CD1 LEU A 144 5.897 -0.811 0.270 1.00 0.00 C ATOM 1797 CD2 LEU A 144 4.676 -2.977 0.022 1.00 0.00 C ATOM 0 H LEU A 144 6.223 0.986 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 144 5.754 -1.770 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.037 -0.363 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.743 -1.949 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 144 6.311 -2.317 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.538 -1.267 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.452 -0.034 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.025 -0.370 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.324 -3.419 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 144 3.800 -2.543 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.359 -3.749 -0.679 1.00 0.00 H new ATOM 1809 N VAL A 145 3.730 -0.856 -4.835 1.00 0.00 N ATOM 1810 CA VAL A 145 2.815 -0.216 -5.827 1.00 0.00 C ATOM 1811 C VAL A 145 1.428 -0.845 -5.718 1.00 0.00 C ATOM 1812 O VAL A 145 1.286 -2.046 -5.564 1.00 0.00 O ATOM 1813 CB VAL A 145 3.376 -0.407 -7.236 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.288 -1.877 -7.646 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.569 0.445 -8.215 1.00 0.00 C ATOM 0 H VAL A 145 3.729 -1.876 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 145 2.736 0.851 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 145 4.422 -0.100 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.691 -1.999 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 145 3.864 -2.485 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.246 -2.197 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 145 2.964 0.314 -9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.524 0.135 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.643 1.495 -7.930 1.00 0.00 H new ATOM 1825 N PHE A 146 0.399 -0.033 -5.775 1.00 0.00 N ATOM 1826 CA PHE A 146 -0.988 -0.562 -5.654 1.00 0.00 C ATOM 1827 C PHE A 146 -1.523 -0.896 -7.045 1.00 0.00 C ATOM 1828 O PHE A 146 -1.723 -0.017 -7.873 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.881 0.507 -5.013 1.00 0.00 C ATOM 1830 CG PHE A 146 -3.102 -0.141 -4.407 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -4.180 -0.508 -5.220 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.145 -0.385 -3.033 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -5.302 -1.120 -4.656 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -4.268 -0.995 -2.467 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.347 -1.366 -3.278 1.00 0.00 C ATOM 0 H PHE A 146 0.465 0.977 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.986 -1.460 -5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.325 1.045 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -2.181 1.240 -5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.145 -0.318 -6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.311 -0.103 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -6.135 -1.403 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.303 -1.180 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.213 -1.841 -2.842 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.764 -2.161 -7.297 1.00 0.00 N ATOM 1846 CA LEU A 147 -2.290 -2.590 -8.625 1.00 0.00 C ATOM 1847 C LEU A 147 -3.440 -3.571 -8.422 1.00 0.00 C ATOM 1848 O LEU A 147 -3.487 -4.314 -7.457 1.00 0.00 O ATOM 1849 CB LEU A 147 -1.170 -3.260 -9.421 1.00 0.00 C ATOM 1850 CG LEU A 147 -0.082 -2.225 -9.746 1.00 0.00 C ATOM 1851 CD1 LEU A 147 1.157 -2.942 -10.288 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -0.593 -1.216 -10.793 1.00 0.00 C ATOM 0 H LEU A 147 -1.616 -2.919 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 147 -2.652 -1.722 -9.175 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.744 -4.083 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -1.568 -3.686 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 147 0.173 -1.684 -8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.930 -2.209 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.531 -3.639 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 147 0.894 -3.489 -11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 147 0.190 -0.490 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.863 -1.745 -11.707 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -1.469 -0.698 -10.402 1.00 0.00 H new ATOM 1864 N THR A 148 -4.375 -3.574 -9.333 1.00 0.00 N ATOM 1865 CA THR A 148 -5.539 -4.495 -9.221 1.00 0.00 C ATOM 1866 C THR A 148 -5.901 -5.030 -10.604 1.00 0.00 C ATOM 1867 O THR A 148 -6.583 -4.378 -11.371 1.00 0.00 O ATOM 1868 CB THR A 148 -6.728 -3.734 -8.644 1.00 0.00 C ATOM 1869 OG1 THR A 148 -7.065 -2.661 -9.512 1.00 0.00 O ATOM 1870 CG2 THR A 148 -6.358 -3.186 -7.267 1.00 0.00 C ATOM 0 H THR A 148 -4.381 -2.972 -10.156 1.00 0.00 H new ATOM 0 HA THR A 148 -5.284 -5.328 -8.566 1.00 0.00 H new ATOM 0 HB THR A 148 -7.583 -4.404 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 148 -7.379 -3.019 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 148 -7.206 -2.641 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 148 -6.098 -4.012 -6.605 1.00 0.00 H new ATOM 0 HG23 THR A 148 -5.505 -2.513 -7.360 1.00 0.00 H new