USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 99 SER OG : rot 147:sc= 0.635 USER MOD Set 1.2: A 125 CYS SG : rot 62:sc= -0.611! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -0.014 (180deg=-0.199) USER MOD Single : A 45 CYS SG : rot 82:sc= 1.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -14:sc= 0.636 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 67 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-0.073) USER MOD Single : A 68 GLN : amide:sc= -1.25 K(o=-1.3,f=-0.65) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 84:sc= 0.0312 USER MOD Single : A 74 SER OG : rot -18:sc= 0.739 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -24:sc= 0.416 USER MOD Single : A 82 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.5!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 1.13 (180deg=1.06) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -166:sc= -0.0429 (180deg=-0.275) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 104 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.41) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.202 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -3.22! K(o=-3.2!,f=-1.1) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 121 ASN : amide:sc= -0.919 X(o=-0.92,f=-1.3) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0306 K(o=-0.031,f=-0.83) USER MOD Single : A 130 SER OG : rot -72:sc= 0.0263 USER MOD Single : A 134 GLN : amide:sc= 0.145 X(o=0.14,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -7.754 -12.400 -10.705 1.00 53.25 N ATOM 529 CA LYS A 36 -7.071 -11.587 -11.718 1.00 31.24 C ATOM 530 C LYS A 36 -5.751 -11.003 -11.190 1.00 63.20 C ATOM 531 O LYS A 36 -4.757 -10.929 -11.919 1.00 0.30 O ATOM 532 CB LYS A 36 -7.997 -10.445 -12.159 1.00 40.35 C ATOM 533 CG LYS A 36 -7.340 -9.428 -13.090 1.00 22.43 C ATOM 534 CD LYS A 36 -8.199 -8.178 -13.247 1.00 60.25 C ATOM 535 CE LYS A 36 -7.561 -7.162 -14.185 1.00 30.53 C ATOM 536 NZ LYS A 36 -8.393 -5.940 -14.310 1.00 43.31 N ATOM 0 HA LYS A 36 -6.833 -12.233 -12.564 1.00 31.24 H new ATOM 0 HB2 LYS A 36 -8.866 -10.871 -12.660 1.00 40.35 H new ATOM 0 HB3 LYS A 36 -8.362 -9.926 -11.273 1.00 40.35 H new ATOM 0 HG2 LYS A 36 -6.362 -9.152 -12.696 1.00 22.43 H new ATOM 0 HG3 LYS A 36 -7.174 -9.882 -14.067 1.00 22.43 H new ATOM 0 HD2 LYS A 36 -9.181 -8.458 -13.629 1.00 60.25 H new ATOM 0 HD3 LYS A 36 -8.356 -7.721 -12.270 1.00 60.25 H new ATOM 0 HE2 LYS A 36 -6.572 -6.894 -13.814 1.00 30.53 H new ATOM 0 HE3 LYS A 36 -7.422 -7.611 -15.169 1.00 30.53 H new ATOM 0 HZ1 LYS A 36 -7.930 -5.269 -14.956 1.00 43.31 H new ATOM 0 HZ2 LYS A 36 -9.328 -6.194 -14.687 1.00 43.31 H new ATOM 0 HZ3 LYS A 36 -8.505 -5.499 -13.375 1.00 43.31 H new ATOM 550 N ILE A 37 -5.752 -10.584 -9.923 1.00 64.21 N ATOM 551 CA ILE A 37 -4.605 -9.881 -9.338 1.00 24.13 C ATOM 552 C ILE A 37 -3.326 -10.733 -9.377 1.00 54.04 C ATOM 553 O ILE A 37 -3.140 -11.640 -8.566 1.00 73.11 O ATOM 554 CB ILE A 37 -4.883 -9.441 -7.874 1.00 52.12 C ATOM 555 CG1 ILE A 37 -6.249 -8.735 -7.761 1.00 40.23 C ATOM 556 CG2 ILE A 37 -3.765 -8.527 -7.367 1.00 44.24 C ATOM 557 CD1 ILE A 37 -6.437 -7.577 -8.725 1.00 11.35 C ATOM 0 H ILE A 37 -6.533 -10.719 -9.281 1.00 64.21 H new ATOM 0 HA ILE A 37 -4.453 -8.993 -9.951 1.00 24.13 H new ATOM 0 HB ILE A 37 -4.910 -10.335 -7.251 1.00 52.12 H new ATOM 0 HG12 ILE A 37 -7.038 -9.467 -7.933 1.00 40.23 H new ATOM 0 HG13 ILE A 37 -6.371 -8.368 -6.742 1.00 40.23 H new ATOM 0 HG21 ILE A 37 -3.976 -8.229 -6.340 1.00 44.24 H new ATOM 0 HG22 ILE A 37 -2.815 -9.060 -7.402 1.00 44.24 H new ATOM 0 HG23 ILE A 37 -3.706 -7.640 -7.998 1.00 44.24 H new ATOM 0 HD11 ILE A 37 -7.424 -7.138 -8.578 1.00 11.35 H new ATOM 0 HD12 ILE A 37 -5.673 -6.822 -8.540 1.00 11.35 H new ATOM 0 HD13 ILE A 37 -6.350 -7.939 -9.750 1.00 11.35 H new ATOM 569 N SER A 38 -2.456 -10.442 -10.340 1.00 12.55 N ATOM 570 CA SER A 38 -1.171 -11.143 -10.470 1.00 23.24 C ATOM 571 C SER A 38 -0.085 -10.450 -9.634 1.00 71.12 C ATOM 572 O SER A 38 -0.183 -9.253 -9.349 1.00 71.02 O ATOM 573 CB SER A 38 -0.739 -11.186 -11.942 1.00 64.14 C ATOM 574 OG SER A 38 -1.728 -11.805 -12.752 1.00 41.33 O ATOM 0 H SER A 38 -2.613 -9.724 -11.047 1.00 12.55 H new ATOM 0 HA SER A 38 -1.300 -12.161 -10.101 1.00 23.24 H new ATOM 0 HB2 SER A 38 -0.555 -10.173 -12.299 1.00 64.14 H new ATOM 0 HB3 SER A 38 0.201 -11.731 -12.032 1.00 64.14 H new ATOM 0 HG SER A 38 -1.427 -11.817 -13.684 1.00 41.33 H new ATOM 580 N LYS A 39 0.952 -11.201 -9.252 1.00 64.13 N ATOM 581 CA LYS A 39 2.071 -10.648 -8.468 1.00 43.33 C ATOM 582 C LYS A 39 2.614 -9.346 -9.087 1.00 64.43 C ATOM 583 O LYS A 39 2.694 -8.315 -8.416 1.00 73.33 O ATOM 584 CB LYS A 39 3.190 -11.696 -8.348 1.00 44.14 C ATOM 585 CG LYS A 39 4.493 -11.163 -7.758 1.00 63.41 C ATOM 586 CD LYS A 39 5.499 -12.285 -7.505 1.00 35.22 C ATOM 587 CE LYS A 39 6.861 -11.750 -7.081 1.00 1.03 C ATOM 588 NZ LYS A 39 7.529 -11.006 -8.180 1.00 54.12 N ATOM 0 H LYS A 39 1.044 -12.193 -9.470 1.00 64.13 H new ATOM 0 HA LYS A 39 1.698 -10.402 -7.474 1.00 43.33 H new ATOM 0 HB2 LYS A 39 2.835 -12.519 -7.728 1.00 44.14 H new ATOM 0 HB3 LYS A 39 3.394 -12.106 -9.337 1.00 44.14 H new ATOM 0 HG2 LYS A 39 4.928 -10.431 -8.438 1.00 63.41 H new ATOM 0 HG3 LYS A 39 4.284 -10.644 -6.823 1.00 63.41 H new ATOM 0 HD2 LYS A 39 5.114 -12.949 -6.731 1.00 35.22 H new ATOM 0 HD3 LYS A 39 5.610 -12.882 -8.410 1.00 35.22 H new ATOM 0 HE2 LYS A 39 6.741 -11.094 -6.219 1.00 1.03 H new ATOM 0 HE3 LYS A 39 7.495 -12.579 -6.766 1.00 1.03 H new ATOM 0 HZ1 LYS A 39 8.471 -11.413 -8.352 1.00 54.12 H new ATOM 0 HZ2 LYS A 39 6.957 -11.078 -9.046 1.00 54.12 H new ATOM 0 HZ3 LYS A 39 7.628 -10.006 -7.912 1.00 54.12 H new ATOM 602 N GLU A 40 2.968 -9.399 -10.370 1.00 52.42 N ATOM 603 CA GLU A 40 3.453 -8.216 -11.093 1.00 31.25 C ATOM 604 C GLU A 40 2.422 -7.074 -11.077 1.00 1.34 C ATOM 605 O GLU A 40 2.762 -5.927 -10.796 1.00 25.21 O ATOM 606 CB GLU A 40 3.812 -8.586 -12.542 1.00 50.31 C ATOM 607 CG GLU A 40 2.687 -9.281 -13.300 1.00 25.44 C ATOM 608 CD GLU A 40 3.046 -9.588 -14.745 1.00 31.23 C ATOM 609 OE1 GLU A 40 3.800 -10.555 -14.986 1.00 23.10 O ATOM 610 OE2 GLU A 40 2.584 -8.857 -15.645 1.00 4.05 O ATOM 0 H GLU A 40 2.929 -10.248 -10.934 1.00 52.42 H new ATOM 0 HA GLU A 40 4.347 -7.862 -10.580 1.00 31.25 H new ATOM 0 HB2 GLU A 40 4.093 -7.680 -13.079 1.00 50.31 H new ATOM 0 HB3 GLU A 40 4.687 -9.236 -12.534 1.00 50.31 H new ATOM 0 HG2 GLU A 40 2.432 -10.210 -12.790 1.00 25.44 H new ATOM 0 HG3 GLU A 40 1.798 -8.651 -13.278 1.00 25.44 H new ATOM 617 N ALA A 41 1.160 -7.399 -11.363 1.00 20.02 N ATOM 618 CA ALA A 41 0.085 -6.397 -11.403 1.00 74.32 C ATOM 619 C ALA A 41 -0.001 -5.595 -10.096 1.00 24.52 C ATOM 620 O ALA A 41 -0.214 -4.382 -10.110 1.00 72.14 O ATOM 621 CB ALA A 41 -1.249 -7.072 -11.706 1.00 53.23 C ATOM 0 H ALA A 41 0.853 -8.349 -11.571 1.00 20.02 H new ATOM 0 HA ALA A 41 0.319 -5.691 -12.200 1.00 74.32 H new ATOM 0 HB1 ALA A 41 -2.039 -6.321 -11.733 1.00 53.23 H new ATOM 0 HB2 ALA A 41 -1.192 -7.574 -12.672 1.00 53.23 H new ATOM 0 HB3 ALA A 41 -1.471 -7.804 -10.929 1.00 53.23 H new ATOM 627 N LEU A 42 0.171 -6.279 -8.969 1.00 44.02 N ATOM 628 CA LEU A 42 0.131 -5.627 -7.655 1.00 3.24 C ATOM 629 C LEU A 42 1.399 -4.785 -7.419 1.00 11.11 C ATOM 630 O LEU A 42 1.316 -3.602 -7.077 1.00 63.14 O ATOM 631 CB LEU A 42 -0.043 -6.691 -6.550 1.00 33.25 C ATOM 632 CG LEU A 42 -0.371 -6.160 -5.134 1.00 41.12 C ATOM 633 CD1 LEU A 42 -1.026 -7.251 -4.292 1.00 50.41 C ATOM 634 CD2 LEU A 42 0.882 -5.640 -4.421 1.00 54.30 C ATOM 0 H LEU A 42 0.340 -7.284 -8.934 1.00 44.02 H new ATOM 0 HA LEU A 42 -0.722 -4.949 -7.624 1.00 3.24 H new ATOM 0 HB2 LEU A 42 -0.838 -7.372 -6.853 1.00 33.25 H new ATOM 0 HB3 LEU A 42 0.874 -7.277 -6.492 1.00 33.25 H new ATOM 0 HG LEU A 42 -1.066 -5.328 -5.252 1.00 41.12 H new ATOM 0 HD11 LEU A 42 -1.250 -6.860 -3.300 1.00 50.41 H new ATOM 0 HD12 LEU A 42 -1.950 -7.575 -4.771 1.00 50.41 H new ATOM 0 HD13 LEU A 42 -0.347 -8.099 -4.203 1.00 50.41 H new ATOM 0 HD21 LEU A 42 0.612 -5.276 -3.430 1.00 54.30 H new ATOM 0 HD22 LEU A 42 1.608 -6.448 -4.325 1.00 54.30 H new ATOM 0 HD23 LEU A 42 1.319 -4.826 -5.000 1.00 54.30 H new ATOM 646 N LEU A 43 2.571 -5.394 -7.619 1.00 20.44 N ATOM 647 CA LEU A 43 3.853 -4.707 -7.389 1.00 1.13 C ATOM 648 C LEU A 43 3.983 -3.434 -8.243 1.00 4.15 C ATOM 649 O LEU A 43 4.379 -2.377 -7.745 1.00 10.13 O ATOM 650 CB LEU A 43 5.032 -5.650 -7.677 1.00 13.34 C ATOM 651 CG LEU A 43 5.087 -6.926 -6.818 1.00 34.34 C ATOM 652 CD1 LEU A 43 6.313 -7.760 -7.173 1.00 54.34 C ATOM 653 CD2 LEU A 43 5.082 -6.582 -5.329 1.00 54.50 C ATOM 0 H LEU A 43 2.663 -6.358 -7.939 1.00 20.44 H new ATOM 0 HA LEU A 43 3.875 -4.412 -6.340 1.00 1.13 H new ATOM 0 HB2 LEU A 43 4.993 -5.941 -8.727 1.00 13.34 H new ATOM 0 HB3 LEU A 43 5.960 -5.097 -7.534 1.00 13.34 H new ATOM 0 HG LEU A 43 4.196 -7.517 -7.032 1.00 34.34 H new ATOM 0 HD11 LEU A 43 6.334 -8.658 -6.555 1.00 54.34 H new ATOM 0 HD12 LEU A 43 6.268 -8.044 -8.224 1.00 54.34 H new ATOM 0 HD13 LEU A 43 7.215 -7.175 -6.994 1.00 54.34 H new ATOM 0 HD21 LEU A 43 5.121 -7.500 -4.743 1.00 54.50 H new ATOM 0 HD22 LEU A 43 5.950 -5.965 -5.095 1.00 54.50 H new ATOM 0 HD23 LEU A 43 4.171 -6.035 -5.085 1.00 54.50 H new ATOM 665 N GLU A 44 3.639 -3.538 -9.524 1.00 74.30 N ATOM 666 CA GLU A 44 3.690 -2.388 -10.435 1.00 24.41 C ATOM 667 C GLU A 44 2.757 -1.255 -9.974 1.00 42.44 C ATOM 668 O GLU A 44 3.067 -0.073 -10.145 1.00 12.43 O ATOM 669 CB GLU A 44 3.337 -2.816 -11.867 1.00 42.54 C ATOM 670 CG GLU A 44 4.284 -3.865 -12.452 1.00 33.22 C ATOM 671 CD GLU A 44 5.749 -3.474 -12.330 1.00 64.44 C ATOM 672 OE1 GLU A 44 6.183 -2.536 -13.035 1.00 52.12 O ATOM 673 OE2 GLU A 44 6.476 -4.104 -11.531 1.00 23.31 O ATOM 0 H GLU A 44 3.322 -4.404 -9.959 1.00 74.30 H new ATOM 0 HA GLU A 44 4.711 -2.006 -10.421 1.00 24.41 H new ATOM 0 HB2 GLU A 44 2.321 -3.212 -11.877 1.00 42.54 H new ATOM 0 HB3 GLU A 44 3.343 -1.936 -12.511 1.00 42.54 H new ATOM 0 HG2 GLU A 44 4.123 -4.816 -11.944 1.00 33.22 H new ATOM 0 HG3 GLU A 44 4.041 -4.021 -13.503 1.00 33.22 H new ATOM 680 N CYS A 45 1.613 -1.616 -9.389 1.00 3.14 N ATOM 681 CA CYS A 45 0.701 -0.624 -8.801 1.00 32.54 C ATOM 682 C CYS A 45 1.344 0.055 -7.584 1.00 32.43 C ATOM 683 O CYS A 45 1.162 1.251 -7.359 1.00 43.13 O ATOM 684 CB CYS A 45 -0.627 -1.273 -8.392 1.00 33.22 C ATOM 685 SG CYS A 45 -1.606 -1.913 -9.777 1.00 32.01 S ATOM 0 H CYS A 45 1.294 -2.582 -9.308 1.00 3.14 H new ATOM 0 HA CYS A 45 0.501 0.131 -9.561 1.00 32.54 H new ATOM 0 HB2 CYS A 45 -0.420 -2.090 -7.701 1.00 33.22 H new ATOM 0 HB3 CYS A 45 -1.224 -0.540 -7.849 1.00 33.22 H new ATOM 0 HG CYS A 45 -1.162 -3.087 -10.117 1.00 32.01 H new ATOM 691 N ALA A 46 2.097 -0.721 -6.804 1.00 33.20 N ATOM 692 CA ALA A 46 2.808 -0.194 -5.634 1.00 12.43 C ATOM 693 C ALA A 46 3.943 0.760 -6.045 1.00 2.24 C ATOM 694 O ALA A 46 4.182 1.777 -5.391 1.00 21.13 O ATOM 695 CB ALA A 46 3.352 -1.343 -4.792 1.00 52.25 C ATOM 0 H ALA A 46 2.232 -1.720 -6.960 1.00 33.20 H new ATOM 0 HA ALA A 46 2.098 0.379 -5.038 1.00 12.43 H new ATOM 0 HB1 ALA A 46 3.878 -0.942 -3.926 1.00 52.25 H new ATOM 0 HB2 ALA A 46 2.527 -1.971 -4.457 1.00 52.25 H new ATOM 0 HB3 ALA A 46 4.041 -1.939 -5.391 1.00 52.25 H new ATOM 701 N ASP A 47 4.632 0.429 -7.140 1.00 54.21 N ATOM 702 CA ASP A 47 5.705 1.276 -7.681 1.00 61.13 C ATOM 703 C ASP A 47 5.214 2.710 -7.962 1.00 33.42 C ATOM 704 O ASP A 47 5.959 3.678 -7.796 1.00 31.23 O ATOM 705 CB ASP A 47 6.261 0.639 -8.963 1.00 65.12 C ATOM 706 CG ASP A 47 7.330 1.488 -9.634 1.00 73.53 C ATOM 707 OD1 ASP A 47 8.366 1.769 -8.997 1.00 32.00 O ATOM 708 OD2 ASP A 47 7.140 1.882 -10.803 1.00 64.43 O ATOM 0 H ASP A 47 4.467 -0.424 -7.674 1.00 54.21 H new ATOM 0 HA ASP A 47 6.495 1.346 -6.934 1.00 61.13 H new ATOM 0 HB2 ASP A 47 6.679 -0.339 -8.724 1.00 65.12 H new ATOM 0 HB3 ASP A 47 5.443 0.474 -9.664 1.00 65.12 H new ATOM 713 N LEU A 48 3.953 2.832 -8.373 1.00 21.14 N ATOM 714 CA LEU A 48 3.342 4.140 -8.632 1.00 54.13 C ATOM 715 C LEU A 48 3.330 5.027 -7.379 1.00 74.43 C ATOM 716 O LEU A 48 3.560 6.232 -7.462 1.00 43.15 O ATOM 717 CB LEU A 48 1.913 3.962 -9.159 1.00 11.50 C ATOM 718 CG LEU A 48 1.814 3.360 -10.568 1.00 63.21 C ATOM 719 CD1 LEU A 48 0.355 3.201 -10.987 1.00 25.40 C ATOM 720 CD2 LEU A 48 2.578 4.230 -11.566 1.00 2.41 C ATOM 0 H LEU A 48 3.331 2.040 -8.535 1.00 21.14 H new ATOM 0 HA LEU A 48 3.950 4.640 -9.386 1.00 54.13 H new ATOM 0 HB2 LEU A 48 1.363 3.324 -8.467 1.00 11.50 H new ATOM 0 HB3 LEU A 48 1.418 4.933 -9.159 1.00 11.50 H new ATOM 0 HG LEU A 48 2.267 2.369 -10.557 1.00 63.21 H new ATOM 0 HD11 LEU A 48 0.309 2.773 -11.988 1.00 25.40 H new ATOM 0 HD12 LEU A 48 -0.155 2.540 -10.286 1.00 25.40 H new ATOM 0 HD13 LEU A 48 -0.132 4.176 -10.986 1.00 25.40 H new ATOM 0 HD21 LEU A 48 2.501 3.794 -12.562 1.00 2.41 H new ATOM 0 HD22 LEU A 48 2.152 5.233 -11.575 1.00 2.41 H new ATOM 0 HD23 LEU A 48 3.627 4.284 -11.273 1.00 2.41 H new ATOM 732 N LEU A 49 3.068 4.428 -6.220 1.00 44.15 N ATOM 733 CA LEU A 49 3.039 5.180 -4.959 1.00 74.20 C ATOM 734 C LEU A 49 4.446 5.638 -4.561 1.00 73.10 C ATOM 735 O LEU A 49 4.664 6.810 -4.262 1.00 44.35 O ATOM 736 CB LEU A 49 2.405 4.349 -3.829 1.00 11.44 C ATOM 737 CG LEU A 49 0.876 4.172 -3.915 1.00 65.23 C ATOM 738 CD1 LEU A 49 0.481 3.392 -5.165 1.00 51.22 C ATOM 739 CD2 LEU A 49 0.333 3.487 -2.659 1.00 74.30 C ATOM 0 H LEU A 49 2.873 3.431 -6.123 1.00 44.15 H new ATOM 0 HA LEU A 49 2.421 6.064 -5.118 1.00 74.20 H new ATOM 0 HB2 LEU A 49 2.868 3.362 -3.823 1.00 11.44 H new ATOM 0 HB3 LEU A 49 2.646 4.820 -2.876 1.00 11.44 H new ATOM 0 HG LEU A 49 0.431 5.165 -3.982 1.00 65.23 H new ATOM 0 HD11 LEU A 49 -0.603 3.283 -5.198 1.00 51.22 H new ATOM 0 HD12 LEU A 49 0.819 3.929 -6.051 1.00 51.22 H new ATOM 0 HD13 LEU A 49 0.944 2.406 -5.140 1.00 51.22 H new ATOM 0 HD21 LEU A 49 -0.748 3.374 -2.745 1.00 74.30 H new ATOM 0 HD22 LEU A 49 0.793 2.505 -2.552 1.00 74.30 H new ATOM 0 HD23 LEU A 49 0.566 4.094 -1.784 1.00 74.30 H new ATOM 751 N SER A 50 5.404 4.712 -4.567 1.00 72.35 N ATOM 752 CA SER A 50 6.808 5.051 -4.278 1.00 51.14 C ATOM 753 C SER A 50 7.309 6.178 -5.196 1.00 73.54 C ATOM 754 O SER A 50 8.021 7.085 -4.761 1.00 12.42 O ATOM 755 CB SER A 50 7.707 3.813 -4.426 1.00 53.41 C ATOM 756 OG SER A 50 7.324 2.783 -3.527 1.00 10.14 O ATOM 0 H SER A 50 5.241 3.725 -4.767 1.00 72.35 H new ATOM 0 HA SER A 50 6.857 5.402 -3.247 1.00 51.14 H new ATOM 0 HB2 SER A 50 7.653 3.443 -5.450 1.00 53.41 H new ATOM 0 HB3 SER A 50 8.745 4.091 -4.242 1.00 53.41 H new ATOM 0 HG SER A 50 7.913 2.009 -3.646 1.00 10.14 H new ATOM 762 N SER A 51 6.928 6.120 -6.470 1.00 4.21 N ATOM 763 CA SER A 51 7.260 7.181 -7.429 1.00 21.13 C ATOM 764 C SER A 51 6.558 8.501 -7.080 1.00 63.22 C ATOM 765 O SER A 51 7.193 9.555 -7.011 1.00 21.21 O ATOM 766 CB SER A 51 6.864 6.754 -8.847 1.00 60.54 C ATOM 767 OG SER A 51 7.067 7.805 -9.779 1.00 22.33 O ATOM 0 H SER A 51 6.388 5.350 -6.866 1.00 4.21 H new ATOM 0 HA SER A 51 8.337 7.343 -7.378 1.00 21.13 H new ATOM 0 HB2 SER A 51 7.450 5.884 -9.144 1.00 60.54 H new ATOM 0 HB3 SER A 51 5.817 6.452 -8.859 1.00 60.54 H new ATOM 0 HG SER A 51 6.807 7.503 -10.674 1.00 22.33 H new ATOM 773 N ALA A 52 5.254 8.429 -6.828 1.00 70.32 N ATOM 774 CA ALA A 52 4.437 9.622 -6.563 1.00 14.14 C ATOM 775 C ALA A 52 4.743 10.264 -5.196 1.00 51.15 C ATOM 776 O ALA A 52 4.449 11.434 -4.974 1.00 3.34 O ATOM 777 CB ALA A 52 2.956 9.266 -6.671 1.00 42.02 C ATOM 0 H ALA A 52 4.732 7.553 -6.800 1.00 70.32 H new ATOM 0 HA ALA A 52 4.692 10.366 -7.317 1.00 14.14 H new ATOM 0 HB1 ALA A 52 2.353 10.153 -6.474 1.00 42.02 H new ATOM 0 HB2 ALA A 52 2.743 8.898 -7.674 1.00 42.02 H new ATOM 0 HB3 ALA A 52 2.713 8.493 -5.942 1.00 42.02 H new ATOM 783 N LEU A 53 5.328 9.495 -4.281 1.00 41.14 N ATOM 784 CA LEU A 53 5.698 10.009 -2.954 1.00 35.44 C ATOM 785 C LEU A 53 7.087 10.669 -2.960 1.00 5.24 C ATOM 786 O LEU A 53 7.445 11.391 -2.026 1.00 1.53 O ATOM 787 CB LEU A 53 5.658 8.875 -1.921 1.00 52.12 C ATOM 788 CG LEU A 53 4.256 8.326 -1.610 1.00 72.41 C ATOM 789 CD1 LEU A 53 4.345 7.048 -0.784 1.00 21.10 C ATOM 790 CD2 LEU A 53 3.417 9.376 -0.884 1.00 61.31 C ATOM 0 H LEU A 53 5.558 8.512 -4.429 1.00 41.14 H new ATOM 0 HA LEU A 53 4.971 10.775 -2.683 1.00 35.44 H new ATOM 0 HB2 LEU A 53 6.281 8.056 -2.280 1.00 52.12 H new ATOM 0 HB3 LEU A 53 6.105 9.233 -0.994 1.00 52.12 H new ATOM 0 HG LEU A 53 3.768 8.087 -2.555 1.00 72.41 H new ATOM 0 HD11 LEU A 53 3.341 6.678 -0.576 1.00 21.10 H new ATOM 0 HD12 LEU A 53 4.902 6.294 -1.340 1.00 21.10 H new ATOM 0 HD13 LEU A 53 4.856 7.257 0.156 1.00 21.10 H new ATOM 0 HD21 LEU A 53 2.428 8.969 -0.672 1.00 61.31 H new ATOM 0 HD22 LEU A 53 3.905 9.648 0.052 1.00 61.31 H new ATOM 0 HD23 LEU A 53 3.318 10.261 -1.513 1.00 61.31 H new ATOM 802 N THR A 54 7.875 10.408 -4.005 1.00 72.34 N ATOM 803 CA THR A 54 9.211 11.013 -4.144 1.00 45.24 C ATOM 804 C THR A 54 9.154 12.317 -4.946 1.00 32.30 C ATOM 805 O THR A 54 9.753 13.322 -4.560 1.00 73.32 O ATOM 806 CB THR A 54 10.218 10.046 -4.818 1.00 42.10 C ATOM 807 OG1 THR A 54 9.705 9.591 -6.082 1.00 5.34 O ATOM 808 CG2 THR A 54 10.511 8.844 -3.922 1.00 43.35 C ATOM 0 H THR A 54 7.616 9.783 -4.769 1.00 72.34 H new ATOM 0 HA THR A 54 9.556 11.228 -3.132 1.00 45.24 H new ATOM 0 HB THR A 54 11.147 10.593 -4.980 1.00 42.10 H new ATOM 0 HG1 THR A 54 8.750 9.803 -6.143 1.00 5.34 H new ATOM 0 HG21 THR A 54 11.220 8.183 -4.420 1.00 43.35 H new ATOM 0 HG22 THR A 54 10.936 9.188 -2.979 1.00 43.35 H new ATOM 0 HG23 THR A 54 9.586 8.302 -3.726 1.00 43.35 H new ATOM 816 N GLU A 55 8.435 12.298 -6.067 1.00 12.50 N ATOM 817 CA GLU A 55 8.223 13.511 -6.870 1.00 74.43 C ATOM 818 C GLU A 55 6.943 14.242 -6.428 1.00 54.13 C ATOM 819 O GLU A 55 6.016 13.620 -5.915 1.00 30.42 O ATOM 820 CB GLU A 55 8.139 13.169 -8.366 1.00 72.34 C ATOM 821 CG GLU A 55 6.978 12.249 -8.736 1.00 3.35 C ATOM 822 CD GLU A 55 6.786 12.118 -10.239 1.00 75.54 C ATOM 823 OE1 GLU A 55 7.740 11.700 -10.932 1.00 53.24 O ATOM 824 OE2 GLU A 55 5.694 12.465 -10.743 1.00 63.24 O ATOM 0 H GLU A 55 7.989 11.461 -6.443 1.00 12.50 H new ATOM 0 HA GLU A 55 9.077 14.170 -6.709 1.00 74.43 H new ATOM 0 HB2 GLU A 55 8.049 14.095 -8.934 1.00 72.34 H new ATOM 0 HB3 GLU A 55 9.073 12.697 -8.672 1.00 72.34 H new ATOM 0 HG2 GLU A 55 7.153 11.261 -8.309 1.00 3.35 H new ATOM 0 HG3 GLU A 55 6.060 12.632 -8.289 1.00 3.35 H new ATOM 831 N PRO A 56 6.876 15.578 -6.605 1.00 72.42 N ATOM 832 CA PRO A 56 5.677 16.357 -6.246 1.00 25.44 C ATOM 833 C PRO A 56 4.442 15.972 -7.079 1.00 73.34 C ATOM 834 O PRO A 56 4.463 16.030 -8.312 1.00 73.42 O ATOM 835 CB PRO A 56 6.086 17.812 -6.540 1.00 12.23 C ATOM 836 CG PRO A 56 7.577 17.793 -6.612 1.00 5.13 C ATOM 837 CD PRO A 56 7.949 16.433 -7.134 1.00 22.40 C ATOM 0 HA PRO A 56 5.384 16.181 -5.211 1.00 25.44 H new ATOM 0 HB2 PRO A 56 5.651 18.162 -7.476 1.00 12.23 H new ATOM 0 HB3 PRO A 56 5.738 18.485 -5.756 1.00 12.23 H new ATOM 0 HG2 PRO A 56 7.946 18.578 -7.272 1.00 5.13 H new ATOM 0 HG3 PRO A 56 8.017 17.968 -5.630 1.00 5.13 H new ATOM 0 HD2 PRO A 56 7.983 16.413 -8.223 1.00 22.40 H new ATOM 0 HD3 PRO A 56 8.930 16.118 -6.779 1.00 22.40 H new ATOM 845 N VAL A 57 3.367 15.591 -6.390 1.00 65.44 N ATOM 846 CA VAL A 57 2.087 15.244 -7.028 1.00 25.55 C ATOM 847 C VAL A 57 0.909 15.777 -6.195 1.00 25.43 C ATOM 848 O VAL A 57 1.069 16.069 -5.007 1.00 10.54 O ATOM 849 CB VAL A 57 1.919 13.706 -7.192 1.00 34.12 C ATOM 850 CG1 VAL A 57 3.007 13.114 -8.085 1.00 34.15 C ATOM 851 CG2 VAL A 57 1.903 13.022 -5.830 1.00 21.11 C ATOM 0 H VAL A 57 3.354 15.513 -5.373 1.00 65.44 H new ATOM 0 HA VAL A 57 2.092 15.705 -8.016 1.00 25.55 H new ATOM 0 HB VAL A 57 0.962 13.526 -7.681 1.00 34.12 H new ATOM 0 HG11 VAL A 57 2.857 12.038 -8.176 1.00 34.15 H new ATOM 0 HG12 VAL A 57 2.957 13.573 -9.073 1.00 34.15 H new ATOM 0 HG13 VAL A 57 3.985 13.308 -7.644 1.00 34.15 H new ATOM 0 HG21 VAL A 57 1.785 11.947 -5.964 1.00 21.11 H new ATOM 0 HG22 VAL A 57 2.841 13.222 -5.311 1.00 21.11 H new ATOM 0 HG23 VAL A 57 1.072 13.407 -5.239 1.00 21.11 H new ATOM 861 N PRO A 58 -0.290 15.926 -6.800 1.00 61.01 N ATOM 862 CA PRO A 58 -1.497 16.320 -6.055 1.00 73.41 C ATOM 863 C PRO A 58 -1.863 15.306 -4.951 1.00 2.03 C ATOM 864 O PRO A 58 -1.949 14.099 -5.199 1.00 51.22 O ATOM 865 CB PRO A 58 -2.595 16.379 -7.133 1.00 32.40 C ATOM 866 CG PRO A 58 -2.058 15.595 -8.285 1.00 23.04 C ATOM 867 CD PRO A 58 -0.563 15.753 -8.240 1.00 31.13 C ATOM 0 HA PRO A 58 -1.358 17.266 -5.531 1.00 73.41 H new ATOM 0 HB2 PRO A 58 -3.529 15.952 -6.767 1.00 32.40 H new ATOM 0 HB3 PRO A 58 -2.807 17.408 -7.422 1.00 32.40 H new ATOM 0 HG2 PRO A 58 -2.341 14.545 -8.207 1.00 23.04 H new ATOM 0 HG3 PRO A 58 -2.460 15.964 -9.228 1.00 23.04 H new ATOM 0 HD2 PRO A 58 -0.053 14.879 -8.645 1.00 31.13 H new ATOM 0 HD3 PRO A 58 -0.231 16.614 -8.820 1.00 31.13 H new ATOM 875 N ASN A 59 -2.088 15.803 -3.734 1.00 52.42 N ATOM 876 CA ASN A 59 -2.406 14.939 -2.588 1.00 4.00 C ATOM 877 C ASN A 59 -3.647 14.068 -2.853 1.00 11.50 C ATOM 878 O ASN A 59 -3.762 12.954 -2.333 1.00 20.13 O ATOM 879 CB ASN A 59 -2.605 15.783 -1.325 1.00 33.23 C ATOM 880 CG ASN A 59 -1.310 16.435 -0.872 1.00 54.43 C ATOM 881 OD1 ASN A 59 -0.981 17.542 -1.273 1.00 2.22 O ATOM 882 ND2 ASN A 59 -0.558 15.748 -0.032 1.00 14.43 N ATOM 0 H ASN A 59 -2.057 16.798 -3.513 1.00 52.42 H new ATOM 0 HA ASN A 59 -1.561 14.267 -2.439 1.00 4.00 H new ATOM 0 HB2 ASN A 59 -3.352 16.553 -1.517 1.00 33.23 H new ATOM 0 HB3 ASN A 59 -2.994 15.153 -0.525 1.00 33.23 H new ATOM 0 HD21 ASN A 59 0.324 16.139 0.300 1.00 14.43 H new ATOM 0 HD22 ASN A 59 -0.859 14.826 0.285 1.00 14.43 H new ATOM 889 N SER A 60 -4.565 14.577 -3.672 1.00 53.01 N ATOM 890 CA SER A 60 -5.745 13.807 -4.094 1.00 44.44 C ATOM 891 C SER A 60 -5.329 12.552 -4.871 1.00 33.35 C ATOM 892 O SER A 60 -5.895 11.474 -4.681 1.00 2.14 O ATOM 893 CB SER A 60 -6.670 14.670 -4.964 1.00 64.22 C ATOM 894 OG SER A 60 -7.811 13.937 -5.389 1.00 5.23 O ATOM 0 H SER A 60 -4.519 15.519 -4.060 1.00 53.01 H new ATOM 0 HA SER A 60 -6.283 13.502 -3.196 1.00 44.44 H new ATOM 0 HB2 SER A 60 -6.988 15.548 -4.401 1.00 64.22 H new ATOM 0 HB3 SER A 60 -6.122 15.031 -5.834 1.00 64.22 H new ATOM 0 HG SER A 60 -8.383 14.512 -5.940 1.00 5.23 H new ATOM 900 N GLN A 61 -4.319 12.701 -5.733 1.00 24.42 N ATOM 901 CA GLN A 61 -3.785 11.579 -6.515 1.00 45.15 C ATOM 902 C GLN A 61 -3.168 10.513 -5.599 1.00 33.45 C ATOM 903 O GLN A 61 -3.308 9.319 -5.845 1.00 54.34 O ATOM 904 CB GLN A 61 -2.731 12.078 -7.514 1.00 71.15 C ATOM 905 CG GLN A 61 -2.118 10.974 -8.382 1.00 44.31 C ATOM 906 CD GLN A 61 -1.040 11.494 -9.317 1.00 11.34 C ATOM 907 OE1 GLN A 61 -1.066 12.644 -9.731 1.00 72.30 O ATOM 908 NE2 GLN A 61 -0.092 10.648 -9.671 1.00 5.34 N ATOM 0 H GLN A 61 -3.852 13.591 -5.908 1.00 24.42 H new ATOM 0 HA GLN A 61 -4.613 11.128 -7.062 1.00 45.15 H new ATOM 0 HB2 GLN A 61 -3.187 12.825 -8.164 1.00 71.15 H new ATOM 0 HB3 GLN A 61 -1.933 12.578 -6.964 1.00 71.15 H new ATOM 0 HG2 GLN A 61 -1.694 10.204 -7.737 1.00 44.31 H new ATOM 0 HG3 GLN A 61 -2.905 10.500 -8.969 1.00 44.31 H new ATOM 0 HE21 GLN A 61 -0.098 9.695 -9.308 1.00 5.34 H new ATOM 0 HE22 GLN A 61 0.647 10.947 -10.307 1.00 5.34 H new ATOM 917 N LEU A 62 -2.476 10.955 -4.550 1.00 13.41 N ATOM 918 CA LEU A 62 -1.873 10.038 -3.569 1.00 14.45 C ATOM 919 C LEU A 62 -2.931 9.135 -2.913 1.00 10.44 C ATOM 920 O LEU A 62 -2.820 7.907 -2.941 1.00 45.43 O ATOM 921 CB LEU A 62 -1.121 10.832 -2.490 1.00 64.54 C ATOM 922 CG LEU A 62 0.128 11.581 -2.979 1.00 43.15 C ATOM 923 CD1 LEU A 62 0.704 12.461 -1.871 1.00 51.12 C ATOM 924 CD2 LEU A 62 1.175 10.589 -3.489 1.00 12.23 C ATOM 0 H LEU A 62 -2.316 11.943 -4.353 1.00 13.41 H new ATOM 0 HA LEU A 62 -1.170 9.399 -4.104 1.00 14.45 H new ATOM 0 HB2 LEU A 62 -1.808 11.554 -2.048 1.00 64.54 H new ATOM 0 HB3 LEU A 62 -0.826 10.146 -1.696 1.00 64.54 H new ATOM 0 HG LEU A 62 -0.161 12.232 -3.804 1.00 43.15 H new ATOM 0 HD11 LEU A 62 1.587 12.981 -2.242 1.00 51.12 H new ATOM 0 HD12 LEU A 62 -0.043 13.191 -1.561 1.00 51.12 H new ATOM 0 HD13 LEU A 62 0.979 11.840 -1.019 1.00 51.12 H new ATOM 0 HD21 LEU A 62 2.055 11.133 -3.832 1.00 12.23 H new ATOM 0 HD22 LEU A 62 1.459 9.913 -2.683 1.00 12.23 H new ATOM 0 HD23 LEU A 62 0.759 10.014 -4.316 1.00 12.23 H new ATOM 936 N VAL A 63 -3.956 9.750 -2.332 1.00 52.33 N ATOM 937 CA VAL A 63 -5.028 9.004 -1.660 1.00 35.31 C ATOM 938 C VAL A 63 -5.816 8.126 -2.653 1.00 3.42 C ATOM 939 O VAL A 63 -6.164 6.978 -2.353 1.00 54.23 O ATOM 940 CB VAL A 63 -6.004 9.965 -0.932 1.00 60.12 C ATOM 941 CG1 VAL A 63 -7.071 9.187 -0.158 1.00 23.22 C ATOM 942 CG2 VAL A 63 -5.238 10.905 0.000 1.00 12.01 C ATOM 0 H VAL A 63 -4.072 10.763 -2.310 1.00 52.33 H new ATOM 0 HA VAL A 63 -4.551 8.355 -0.925 1.00 35.31 H new ATOM 0 HB VAL A 63 -6.511 10.565 -1.688 1.00 60.12 H new ATOM 0 HG11 VAL A 63 -7.741 9.887 0.342 1.00 23.22 H new ATOM 0 HG12 VAL A 63 -7.643 8.568 -0.849 1.00 23.22 H new ATOM 0 HG13 VAL A 63 -6.590 8.551 0.585 1.00 23.22 H new ATOM 0 HG21 VAL A 63 -5.940 11.571 0.502 1.00 12.01 H new ATOM 0 HG22 VAL A 63 -4.698 10.319 0.744 1.00 12.01 H new ATOM 0 HG23 VAL A 63 -4.529 11.495 -0.581 1.00 12.01 H new ATOM 952 N ASP A 64 -6.083 8.669 -3.842 1.00 72.01 N ATOM 953 CA ASP A 64 -6.810 7.934 -4.883 1.00 21.13 C ATOM 954 C ASP A 64 -6.013 6.705 -5.351 1.00 74.20 C ATOM 955 O ASP A 64 -6.513 5.578 -5.333 1.00 3.13 O ATOM 956 CB ASP A 64 -7.100 8.860 -6.071 1.00 20.22 C ATOM 957 CG ASP A 64 -8.089 8.254 -7.050 1.00 12.53 C ATOM 958 OD1 ASP A 64 -7.676 7.432 -7.895 1.00 72.12 O ATOM 959 OD2 ASP A 64 -9.291 8.592 -6.969 1.00 45.11 O ATOM 0 H ASP A 64 -5.808 9.614 -4.110 1.00 72.01 H new ATOM 0 HA ASP A 64 -7.752 7.585 -4.461 1.00 21.13 H new ATOM 0 HB2 ASP A 64 -7.493 9.808 -5.702 1.00 20.22 H new ATOM 0 HB3 ASP A 64 -6.168 9.082 -6.591 1.00 20.22 H new ATOM 964 N THR A 65 -4.763 6.934 -5.748 1.00 22.31 N ATOM 965 CA THR A 65 -3.876 5.860 -6.220 1.00 63.01 C ATOM 966 C THR A 65 -3.622 4.816 -5.122 1.00 41.43 C ATOM 967 O THR A 65 -3.391 3.642 -5.409 1.00 62.22 O ATOM 968 CB THR A 65 -2.522 6.427 -6.719 1.00 40.42 C ATOM 969 OG1 THR A 65 -2.754 7.417 -7.734 1.00 73.43 O ATOM 970 CG2 THR A 65 -1.629 5.328 -7.292 1.00 60.54 C ATOM 0 H THR A 65 -4.334 7.859 -5.754 1.00 22.31 H new ATOM 0 HA THR A 65 -4.384 5.374 -7.053 1.00 63.01 H new ATOM 0 HB THR A 65 -2.015 6.873 -5.863 1.00 40.42 H new ATOM 0 HG1 THR A 65 -2.992 8.269 -7.312 1.00 73.43 H new ATOM 0 HG21 THR A 65 -0.689 5.763 -7.632 1.00 60.54 H new ATOM 0 HG22 THR A 65 -1.427 4.584 -6.521 1.00 60.54 H new ATOM 0 HG23 THR A 65 -2.133 4.851 -8.133 1.00 60.54 H new ATOM 978 N GLY A 66 -3.666 5.249 -3.864 1.00 63.03 N ATOM 979 CA GLY A 66 -3.578 4.314 -2.747 1.00 50.31 C ATOM 980 C GLY A 66 -4.816 3.425 -2.622 1.00 73.22 C ATOM 981 O GLY A 66 -4.724 2.271 -2.202 1.00 44.54 O ATOM 0 H GLY A 66 -3.761 6.228 -3.595 1.00 63.03 H new ATOM 0 HA2 GLY A 66 -2.696 3.686 -2.873 1.00 50.31 H new ATOM 0 HA3 GLY A 66 -3.442 4.873 -1.821 1.00 50.31 H new ATOM 985 N HIS A 67 -5.979 3.962 -3.000 1.00 15.02 N ATOM 986 CA HIS A 67 -7.244 3.217 -2.912 1.00 75.33 C ATOM 987 C HIS A 67 -7.252 1.949 -3.792 1.00 31.40 C ATOM 988 O HIS A 67 -7.853 0.940 -3.416 1.00 60.14 O ATOM 989 CB HIS A 67 -8.434 4.115 -3.275 1.00 70.11 C ATOM 990 CG HIS A 67 -8.820 5.092 -2.200 1.00 35.24 C ATOM 991 ND1 HIS A 67 -9.388 6.319 -2.464 1.00 13.14 N ATOM 992 CD2 HIS A 67 -8.750 5.002 -0.847 1.00 21.25 C ATOM 993 CE1 HIS A 67 -9.652 6.935 -1.330 1.00 35.32 C ATOM 994 NE2 HIS A 67 -9.278 6.161 -0.334 1.00 53.43 N ATOM 0 H HIS A 67 -6.074 4.908 -3.370 1.00 15.02 H new ATOM 0 HA HIS A 67 -7.339 2.894 -1.875 1.00 75.33 H new ATOM 0 HB2 HIS A 67 -8.194 4.668 -4.183 1.00 70.11 H new ATOM 0 HB3 HIS A 67 -9.294 3.485 -3.503 1.00 70.11 H new ATOM 0 HD2 HIS A 67 -8.353 4.173 -0.280 1.00 21.25 H new ATOM 0 HE1 HIS A 67 -10.101 7.913 -1.234 1.00 35.32 H new ATOM 0 HE2 HIS A 67 -9.366 6.385 0.657 1.00 53.43 H new ATOM 1003 N GLN A 68 -6.598 1.989 -4.958 1.00 22.24 N ATOM 1004 CA GLN A 68 -6.529 0.799 -5.822 1.00 34.01 C ATOM 1005 C GLN A 68 -5.713 -0.317 -5.147 1.00 40.33 C ATOM 1006 O GLN A 68 -6.045 -1.497 -5.260 1.00 3.43 O ATOM 1007 CB GLN A 68 -5.935 1.133 -7.202 1.00 34.34 C ATOM 1008 CG GLN A 68 -4.444 1.455 -7.184 1.00 71.30 C ATOM 1009 CD GLN A 68 -3.871 1.761 -8.562 1.00 1.32 C ATOM 1010 OE1 GLN A 68 -4.329 1.245 -9.579 1.00 52.43 O ATOM 1011 NE2 GLN A 68 -2.852 2.594 -8.606 1.00 72.13 N ATOM 0 H GLN A 68 -6.118 2.812 -5.322 1.00 22.24 H new ATOM 0 HA GLN A 68 -7.549 0.447 -5.973 1.00 34.01 H new ATOM 0 HB2 GLN A 68 -6.104 0.289 -7.871 1.00 34.34 H new ATOM 0 HB3 GLN A 68 -6.473 1.984 -7.620 1.00 34.34 H new ATOM 0 HG2 GLN A 68 -4.273 2.310 -6.530 1.00 71.30 H new ATOM 0 HG3 GLN A 68 -3.904 0.612 -6.754 1.00 71.30 H new ATOM 0 HE21 GLN A 68 -2.493 3.007 -7.745 1.00 72.13 H new ATOM 0 HE22 GLN A 68 -2.421 2.826 -9.501 1.00 72.13 H new ATOM 1020 N LEU A 69 -4.656 0.072 -4.425 1.00 13.15 N ATOM 1021 CA LEU A 69 -3.840 -0.881 -3.663 1.00 33.31 C ATOM 1022 C LEU A 69 -4.693 -1.639 -2.638 1.00 2.21 C ATOM 1023 O LEU A 69 -4.491 -2.830 -2.416 1.00 73.40 O ATOM 1024 CB LEU A 69 -2.673 -0.160 -2.960 1.00 43.21 C ATOM 1025 CG LEU A 69 -1.371 -0.037 -3.780 1.00 51.31 C ATOM 1026 CD1 LEU A 69 -0.763 -1.415 -4.045 1.00 21.43 C ATOM 1027 CD2 LEU A 69 -1.623 0.696 -5.095 1.00 0.32 C ATOM 0 H LEU A 69 -4.345 1.041 -4.352 1.00 13.15 H new ATOM 0 HA LEU A 69 -3.428 -1.605 -4.366 1.00 33.31 H new ATOM 0 HB2 LEU A 69 -3.003 0.842 -2.684 1.00 43.21 H new ATOM 0 HB3 LEU A 69 -2.449 -0.689 -2.034 1.00 43.21 H new ATOM 0 HG LEU A 69 -0.660 0.545 -3.194 1.00 51.31 H new ATOM 0 HD11 LEU A 69 0.153 -1.303 -4.624 1.00 21.43 H new ATOM 0 HD12 LEU A 69 -0.535 -1.901 -3.096 1.00 21.43 H new ATOM 0 HD13 LEU A 69 -1.473 -2.025 -4.604 1.00 21.43 H new ATOM 0 HD21 LEU A 69 -0.691 0.770 -5.655 1.00 0.32 H new ATOM 0 HD22 LEU A 69 -2.357 0.145 -5.684 1.00 0.32 H new ATOM 0 HD23 LEU A 69 -2.002 1.697 -4.887 1.00 0.32 H new ATOM 1039 N LEU A 70 -5.652 -0.946 -2.024 1.00 30.41 N ATOM 1040 CA LEU A 70 -6.586 -1.583 -1.085 1.00 54.24 C ATOM 1041 C LEU A 70 -7.389 -2.705 -1.761 1.00 74.44 C ATOM 1042 O LEU A 70 -7.566 -3.782 -1.189 1.00 52.30 O ATOM 1043 CB LEU A 70 -7.542 -0.539 -0.473 1.00 60.34 C ATOM 1044 CG LEU A 70 -7.038 0.147 0.807 1.00 11.21 C ATOM 1045 CD1 LEU A 70 -6.919 -0.869 1.941 1.00 21.42 C ATOM 1046 CD2 LEU A 70 -5.704 0.852 0.572 1.00 1.43 C ATOM 0 H LEU A 70 -5.805 0.054 -2.157 1.00 30.41 H new ATOM 0 HA LEU A 70 -5.992 -2.028 -0.286 1.00 54.24 H new ATOM 0 HB2 LEU A 70 -7.742 0.228 -1.221 1.00 60.34 H new ATOM 0 HB3 LEU A 70 -8.492 -1.026 -0.254 1.00 60.34 H new ATOM 0 HG LEU A 70 -7.766 0.906 1.092 1.00 11.21 H new ATOM 0 HD11 LEU A 70 -6.561 -0.369 2.841 1.00 21.42 H new ATOM 0 HD12 LEU A 70 -7.895 -1.313 2.136 1.00 21.42 H new ATOM 0 HD13 LEU A 70 -6.215 -1.651 1.656 1.00 21.42 H new ATOM 0 HD21 LEU A 70 -5.376 1.327 1.497 1.00 1.43 H new ATOM 0 HD22 LEU A 70 -4.959 0.123 0.254 1.00 1.43 H new ATOM 0 HD23 LEU A 70 -5.824 1.610 -0.202 1.00 1.43 H new ATOM 1058 N ASP A 71 -7.862 -2.462 -2.981 1.00 24.43 N ATOM 1059 CA ASP A 71 -8.654 -3.462 -3.701 1.00 51.52 C ATOM 1060 C ASP A 71 -7.776 -4.634 -4.174 1.00 62.11 C ATOM 1061 O ASP A 71 -8.084 -5.797 -3.904 1.00 14.34 O ATOM 1062 CB ASP A 71 -9.389 -2.821 -4.882 1.00 71.12 C ATOM 1063 CG ASP A 71 -10.453 -3.748 -5.442 1.00 34.23 C ATOM 1064 OD1 ASP A 71 -11.335 -4.170 -4.664 1.00 34.20 O ATOM 1065 OD2 ASP A 71 -10.417 -4.064 -6.647 1.00 4.14 O ATOM 0 H ASP A 71 -7.714 -1.591 -3.490 1.00 24.43 H new ATOM 0 HA ASP A 71 -9.397 -3.862 -3.011 1.00 51.52 H new ATOM 0 HB2 ASP A 71 -9.850 -1.887 -4.562 1.00 71.12 H new ATOM 0 HB3 ASP A 71 -8.673 -2.571 -5.665 1.00 71.12 H new ATOM 1070 N TYR A 72 -6.679 -4.322 -4.865 1.00 74.30 N ATOM 1071 CA TYR A 72 -5.727 -5.347 -5.317 1.00 62.02 C ATOM 1072 C TYR A 72 -5.236 -6.223 -4.150 1.00 50.43 C ATOM 1073 O TYR A 72 -5.203 -7.450 -4.253 1.00 44.52 O ATOM 1074 CB TYR A 72 -4.525 -4.694 -6.019 1.00 40.51 C ATOM 1075 CG TYR A 72 -4.810 -4.239 -7.443 1.00 44.33 C ATOM 1076 CD1 TYR A 72 -5.726 -3.227 -7.707 1.00 25.00 C ATOM 1077 CD2 TYR A 72 -4.154 -4.824 -8.524 1.00 34.11 C ATOM 1078 CE1 TYR A 72 -5.985 -2.815 -9.001 1.00 63.40 C ATOM 1079 CE2 TYR A 72 -4.408 -4.416 -9.821 1.00 30.33 C ATOM 1080 CZ TYR A 72 -5.323 -3.411 -10.054 1.00 34.21 C ATOM 1081 OH TYR A 72 -5.581 -3.007 -11.346 1.00 0.24 O ATOM 0 H TYR A 72 -6.424 -3.369 -5.126 1.00 74.30 H new ATOM 0 HA TYR A 72 -6.253 -5.989 -6.024 1.00 62.02 H new ATOM 0 HB2 TYR A 72 -4.198 -3.835 -5.433 1.00 40.51 H new ATOM 0 HB3 TYR A 72 -3.697 -5.403 -6.034 1.00 40.51 H new ATOM 0 HD1 TYR A 72 -6.245 -2.754 -6.886 1.00 25.00 H new ATOM 0 HD2 TYR A 72 -3.435 -5.610 -8.346 1.00 34.11 H new ATOM 0 HE1 TYR A 72 -6.703 -2.030 -9.187 1.00 63.40 H new ATOM 0 HE2 TYR A 72 -3.892 -4.882 -10.647 1.00 30.33 H new ATOM 0 HH TYR A 72 -5.030 -3.527 -11.968 1.00 0.24 H new ATOM 1091 N CYS A 73 -4.868 -5.586 -3.039 1.00 31.34 N ATOM 1092 CA CYS A 73 -4.368 -6.305 -1.860 1.00 1.40 C ATOM 1093 C CYS A 73 -5.462 -7.152 -1.188 1.00 3.12 C ATOM 1094 O CYS A 73 -5.247 -8.329 -0.893 1.00 23.42 O ATOM 1095 CB CYS A 73 -3.773 -5.320 -0.845 1.00 44.12 C ATOM 1096 SG CYS A 73 -2.276 -4.481 -1.423 1.00 42.02 S ATOM 0 H CYS A 73 -4.905 -4.573 -2.927 1.00 31.34 H new ATOM 0 HA CYS A 73 -3.590 -6.985 -2.206 1.00 1.40 H new ATOM 0 HB2 CYS A 73 -4.525 -4.570 -0.598 1.00 44.12 H new ATOM 0 HB3 CYS A 73 -3.544 -5.857 0.075 1.00 44.12 H new ATOM 0 HG CYS A 73 -2.607 -3.454 -2.148 1.00 42.02 H new ATOM 1102 N SER A 74 -6.633 -6.555 -0.953 1.00 24.25 N ATOM 1103 CA SER A 74 -7.752 -7.264 -0.302 1.00 51.32 C ATOM 1104 C SER A 74 -8.138 -8.535 -1.069 1.00 0.25 C ATOM 1105 O SER A 74 -8.586 -9.519 -0.476 1.00 23.42 O ATOM 1106 CB SER A 74 -8.976 -6.348 -0.182 1.00 72.01 C ATOM 1107 OG SER A 74 -9.425 -5.915 -1.461 1.00 23.44 O ATOM 0 H SER A 74 -6.837 -5.587 -1.200 1.00 24.25 H new ATOM 0 HA SER A 74 -7.415 -7.551 0.694 1.00 51.32 H new ATOM 0 HB2 SER A 74 -9.781 -6.878 0.328 1.00 72.01 H new ATOM 0 HB3 SER A 74 -8.726 -5.482 0.431 1.00 72.01 H new ATOM 0 HG SER A 74 -8.712 -6.047 -2.120 1.00 23.44 H new ATOM 1113 N GLY A 75 -7.966 -8.506 -2.388 1.00 42.10 N ATOM 1114 CA GLY A 75 -8.233 -9.683 -3.203 1.00 54.11 C ATOM 1115 C GLY A 75 -7.063 -10.667 -3.223 1.00 32.43 C ATOM 1116 O GLY A 75 -7.228 -11.844 -2.903 1.00 11.42 O ATOM 0 H GLY A 75 -7.647 -7.689 -2.909 1.00 42.10 H new ATOM 0 HA2 GLY A 75 -9.121 -10.189 -2.823 1.00 54.11 H new ATOM 0 HA3 GLY A 75 -8.456 -9.370 -4.223 1.00 54.11 H new ATOM 1120 N TYR A 76 -5.878 -10.175 -3.584 1.00 64.00 N ATOM 1121 CA TYR A 76 -4.675 -11.014 -3.695 1.00 71.21 C ATOM 1122 C TYR A 76 -4.395 -11.803 -2.402 1.00 23.14 C ATOM 1123 O TYR A 76 -3.994 -12.968 -2.450 1.00 3.43 O ATOM 1124 CB TYR A 76 -3.461 -10.139 -4.043 1.00 62.32 C ATOM 1125 CG TYR A 76 -2.186 -10.918 -4.329 1.00 60.25 C ATOM 1126 CD1 TYR A 76 -1.964 -11.487 -5.580 1.00 52.44 C ATOM 1127 CD2 TYR A 76 -1.205 -11.082 -3.354 1.00 54.00 C ATOM 1128 CE1 TYR A 76 -0.809 -12.196 -5.848 1.00 53.32 C ATOM 1129 CE2 TYR A 76 -0.046 -11.789 -3.617 1.00 64.32 C ATOM 1130 CZ TYR A 76 0.147 -12.344 -4.864 1.00 51.44 C ATOM 1131 OH TYR A 76 1.301 -13.046 -5.131 1.00 23.34 O ATOM 0 H TYR A 76 -5.721 -9.192 -3.807 1.00 64.00 H new ATOM 0 HA TYR A 76 -4.853 -11.739 -4.490 1.00 71.21 H new ATOM 0 HB2 TYR A 76 -3.704 -9.531 -4.915 1.00 62.32 H new ATOM 0 HB3 TYR A 76 -3.275 -9.452 -3.217 1.00 62.32 H new ATOM 0 HD1 TYR A 76 -2.708 -11.372 -6.355 1.00 52.44 H new ATOM 0 HD2 TYR A 76 -1.352 -10.649 -2.375 1.00 54.00 H new ATOM 0 HE1 TYR A 76 -0.655 -12.633 -6.824 1.00 53.32 H new ATOM 0 HE2 TYR A 76 0.704 -11.906 -2.849 1.00 64.32 H new ATOM 0 HH TYR A 76 1.870 -13.056 -4.333 1.00 23.34 H new ATOM 1141 N VAL A 77 -4.621 -11.168 -1.250 1.00 33.25 N ATOM 1142 CA VAL A 77 -4.333 -11.790 0.047 1.00 11.01 C ATOM 1143 C VAL A 77 -5.136 -13.090 0.259 1.00 63.23 C ATOM 1144 O VAL A 77 -4.669 -14.019 0.921 1.00 22.21 O ATOM 1145 CB VAL A 77 -4.606 -10.806 1.219 1.00 75.04 C ATOM 1146 CG1 VAL A 77 -6.102 -10.549 1.398 1.00 55.42 C ATOM 1147 CG2 VAL A 77 -3.976 -11.309 2.516 1.00 63.44 C ATOM 0 H VAL A 77 -5.002 -10.224 -1.187 1.00 33.25 H new ATOM 0 HA VAL A 77 -3.273 -12.044 0.038 1.00 11.01 H new ATOM 0 HB VAL A 77 -4.138 -9.855 0.965 1.00 75.04 H new ATOM 0 HG11 VAL A 77 -6.256 -9.857 2.226 1.00 55.42 H new ATOM 0 HG12 VAL A 77 -6.509 -10.117 0.484 1.00 55.42 H new ATOM 0 HG13 VAL A 77 -6.610 -11.489 1.612 1.00 55.42 H new ATOM 0 HG21 VAL A 77 -4.182 -10.602 3.319 1.00 63.44 H new ATOM 0 HG22 VAL A 77 -4.397 -12.281 2.772 1.00 63.44 H new ATOM 0 HG23 VAL A 77 -2.898 -11.404 2.384 1.00 63.44 H new ATOM 1157 N ASP A 78 -6.329 -13.165 -0.334 1.00 51.44 N ATOM 1158 CA ASP A 78 -7.202 -14.337 -0.181 1.00 64.10 C ATOM 1159 C ASP A 78 -6.591 -15.575 -0.868 1.00 41.11 C ATOM 1160 O ASP A 78 -6.873 -16.717 -0.493 1.00 74.01 O ATOM 1161 CB ASP A 78 -8.595 -14.021 -0.755 1.00 1.12 C ATOM 1162 CG ASP A 78 -9.649 -15.055 -0.376 1.00 21.21 C ATOM 1163 OD1 ASP A 78 -10.015 -15.130 0.818 1.00 52.10 O ATOM 1164 OD2 ASP A 78 -10.135 -15.784 -1.268 1.00 44.23 O ATOM 0 H ASP A 78 -6.715 -12.429 -0.925 1.00 51.44 H new ATOM 0 HA ASP A 78 -7.300 -14.567 0.880 1.00 64.10 H new ATOM 0 HB2 ASP A 78 -8.913 -13.041 -0.401 1.00 1.12 H new ATOM 0 HB3 ASP A 78 -8.528 -13.961 -1.841 1.00 1.12 H new ATOM 1169 N CYS A 79 -5.728 -15.336 -1.858 1.00 45.32 N ATOM 1170 CA CYS A 79 -5.082 -16.421 -2.615 1.00 64.43 C ATOM 1171 C CYS A 79 -3.747 -16.863 -1.988 1.00 14.34 C ATOM 1172 O CYS A 79 -3.234 -17.937 -2.306 1.00 63.35 O ATOM 1173 CB CYS A 79 -4.839 -15.980 -4.064 1.00 54.02 C ATOM 1174 SG CYS A 79 -4.007 -17.226 -5.086 1.00 75.41 S ATOM 0 H CYS A 79 -5.457 -14.399 -2.158 1.00 45.32 H new ATOM 0 HA CYS A 79 -5.760 -17.274 -2.588 1.00 64.43 H new ATOM 0 HB2 CYS A 79 -5.796 -15.730 -4.522 1.00 54.02 H new ATOM 0 HB3 CYS A 79 -4.240 -15.069 -4.060 1.00 54.02 H new ATOM 0 HG CYS A 79 -3.337 -18.037 -4.322 1.00 75.41 H new ATOM 1180 N ILE A 80 -3.185 -16.040 -1.097 1.00 62.44 N ATOM 1181 CA ILE A 80 -1.865 -16.324 -0.501 1.00 13.11 C ATOM 1182 C ILE A 80 -1.883 -17.581 0.398 1.00 70.12 C ATOM 1183 O ILE A 80 -2.619 -17.641 1.390 1.00 60.20 O ATOM 1184 CB ILE A 80 -1.337 -15.119 0.326 1.00 2.52 C ATOM 1185 CG1 ILE A 80 -1.200 -13.869 -0.564 1.00 4.15 C ATOM 1186 CG2 ILE A 80 0.005 -15.461 0.977 1.00 53.51 C ATOM 1187 CD1 ILE A 80 -0.678 -12.647 0.169 1.00 40.10 C ATOM 0 H ILE A 80 -3.616 -15.175 -0.771 1.00 62.44 H new ATOM 0 HA ILE A 80 -1.195 -16.507 -1.341 1.00 13.11 H new ATOM 0 HB ILE A 80 -2.058 -14.903 1.114 1.00 2.52 H new ATOM 0 HG12 ILE A 80 -0.530 -14.097 -1.393 1.00 4.15 H new ATOM 0 HG13 ILE A 80 -2.173 -13.634 -0.996 1.00 4.15 H new ATOM 0 HG21 ILE A 80 0.359 -14.605 1.552 1.00 53.51 H new ATOM 0 HG22 ILE A 80 -0.120 -16.317 1.640 1.00 53.51 H new ATOM 0 HG23 ILE A 80 0.733 -15.705 0.203 1.00 53.51 H new ATOM 0 HD11 ILE A 80 -0.609 -11.809 -0.524 1.00 40.10 H new ATOM 0 HD12 ILE A 80 -1.359 -12.392 0.981 1.00 40.10 H new ATOM 0 HD13 ILE A 80 0.310 -12.862 0.577 1.00 40.10 H new ATOM 1199 N PRO A 81 -1.069 -18.609 0.058 1.00 25.21 N ATOM 1200 CA PRO A 81 -0.945 -19.831 0.874 1.00 3.05 C ATOM 1201 C PRO A 81 -0.070 -19.635 2.129 1.00 42.05 C ATOM 1202 O PRO A 81 -0.439 -20.057 3.227 1.00 41.43 O ATOM 1203 CB PRO A 81 -0.298 -20.827 -0.096 1.00 31.32 C ATOM 1204 CG PRO A 81 0.506 -19.983 -1.026 1.00 43.42 C ATOM 1205 CD PRO A 81 -0.238 -18.675 -1.165 1.00 20.11 C ATOM 0 HA PRO A 81 -1.907 -20.157 1.270 1.00 3.05 H new ATOM 0 HB2 PRO A 81 0.331 -21.543 0.433 1.00 31.32 H new ATOM 0 HB3 PRO A 81 -1.052 -21.402 -0.634 1.00 31.32 H new ATOM 0 HG2 PRO A 81 1.509 -19.819 -0.633 1.00 43.42 H new ATOM 0 HG3 PRO A 81 0.619 -20.471 -1.994 1.00 43.42 H new ATOM 0 HD2 PRO A 81 0.447 -17.830 -1.229 1.00 20.11 H new ATOM 0 HD3 PRO A 81 -0.851 -18.657 -2.066 1.00 20.11 H new ATOM 1213 N GLN A 82 1.095 -18.999 1.965 1.00 74.21 N ATOM 1214 CA GLN A 82 1.997 -18.731 3.093 1.00 44.42 C ATOM 1215 C GLN A 82 1.348 -17.760 4.095 1.00 71.15 C ATOM 1216 O GLN A 82 1.349 -16.544 3.893 1.00 12.12 O ATOM 1217 CB GLN A 82 3.330 -18.157 2.587 1.00 44.54 C ATOM 1218 CG GLN A 82 4.371 -17.936 3.681 1.00 53.04 C ATOM 1219 CD GLN A 82 4.808 -19.220 4.373 1.00 33.41 C ATOM 1220 OE1 GLN A 82 5.145 -19.216 5.553 1.00 34.42 O ATOM 1221 NE2 GLN A 82 4.828 -20.322 3.648 1.00 2.00 N ATOM 0 H GLN A 82 1.436 -18.661 1.065 1.00 74.21 H new ATOM 0 HA GLN A 82 2.190 -19.674 3.605 1.00 44.42 H new ATOM 0 HB2 GLN A 82 3.743 -18.833 1.839 1.00 44.54 H new ATOM 0 HB3 GLN A 82 3.138 -17.208 2.087 1.00 44.54 H new ATOM 0 HG2 GLN A 82 5.245 -17.451 3.247 1.00 53.04 H new ATOM 0 HG3 GLN A 82 3.964 -17.252 4.426 1.00 53.04 H new ATOM 0 HE21 GLN A 82 4.542 -20.294 2.669 1.00 2.00 H new ATOM 0 HE22 GLN A 82 5.129 -21.202 4.066 1.00 2.00 H new ATOM 1230 N THR A 83 0.786 -18.307 5.169 1.00 45.11 N ATOM 1231 CA THR A 83 0.036 -17.508 6.150 1.00 12.05 C ATOM 1232 C THR A 83 0.910 -16.440 6.839 1.00 3.14 C ATOM 1233 O THR A 83 0.423 -15.363 7.179 1.00 55.44 O ATOM 1234 CB THR A 83 -0.623 -18.406 7.224 1.00 63.03 C ATOM 1235 OG1 THR A 83 -1.311 -19.497 6.594 1.00 41.21 O ATOM 1236 CG2 THR A 83 -1.616 -17.617 8.072 1.00 54.11 C ATOM 0 H THR A 83 0.833 -19.302 5.388 1.00 45.11 H new ATOM 0 HA THR A 83 -0.741 -16.993 5.584 1.00 12.05 H new ATOM 0 HB THR A 83 0.167 -18.785 7.872 1.00 63.03 H new ATOM 0 HG1 THR A 83 -1.724 -20.062 7.279 1.00 41.21 H new ATOM 0 HG21 THR A 83 -2.062 -18.276 8.817 1.00 54.11 H new ATOM 0 HG22 THR A 83 -1.097 -16.800 8.574 1.00 54.11 H new ATOM 0 HG23 THR A 83 -2.399 -17.211 7.432 1.00 54.11 H new ATOM 1244 N ARG A 84 2.197 -16.737 7.042 1.00 31.45 N ATOM 1245 CA ARG A 84 3.139 -15.751 7.602 1.00 65.43 C ATOM 1246 C ARG A 84 3.183 -14.476 6.742 1.00 52.33 C ATOM 1247 O ARG A 84 2.949 -13.371 7.238 1.00 11.21 O ATOM 1248 CB ARG A 84 4.549 -16.356 7.721 1.00 44.30 C ATOM 1249 CG ARG A 84 4.689 -17.433 8.797 1.00 75.35 C ATOM 1250 CD ARG A 84 4.610 -16.858 10.212 1.00 1.33 C ATOM 1251 NE ARG A 84 3.270 -16.381 10.558 1.00 42.44 N ATOM 1252 CZ ARG A 84 3.023 -15.476 11.464 1.00 61.20 C ATOM 1253 NH1 ARG A 84 3.988 -14.914 12.117 1.00 52.22 N ATOM 1254 NH2 ARG A 84 1.803 -15.141 11.728 1.00 13.34 N ATOM 0 H ARG A 84 2.613 -17.644 6.830 1.00 31.45 H new ATOM 0 HA ARG A 84 2.786 -15.481 8.597 1.00 65.43 H new ATOM 0 HB2 ARG A 84 4.829 -16.784 6.758 1.00 44.30 H new ATOM 0 HB3 ARG A 84 5.257 -15.555 7.932 1.00 44.30 H new ATOM 0 HG2 ARG A 84 3.904 -18.178 8.666 1.00 75.35 H new ATOM 0 HG3 ARG A 84 5.641 -17.948 8.670 1.00 75.35 H new ATOM 0 HD2 ARG A 84 4.914 -17.622 10.927 1.00 1.33 H new ATOM 0 HD3 ARG A 84 5.319 -16.035 10.305 1.00 1.33 H new ATOM 0 HE ARG A 84 2.477 -16.783 10.058 1.00 42.44 H new ATOM 0 HH11 ARG A 84 4.955 -15.177 11.926 1.00 52.22 H new ATOM 0 HH12 ARG A 84 3.782 -14.207 12.823 1.00 52.22 H new ATOM 0 HH21 ARG A 84 1.033 -15.585 11.228 1.00 13.34 H new ATOM 0 HH22 ARG A 84 1.610 -14.433 12.437 1.00 13.34 H new ATOM 1268 N ASN A 85 3.473 -14.640 5.450 1.00 72.15 N ATOM 1269 CA ASN A 85 3.454 -13.514 4.509 1.00 11.43 C ATOM 1270 C ASN A 85 2.062 -12.877 4.460 1.00 51.20 C ATOM 1271 O ASN A 85 1.927 -11.662 4.442 1.00 31.22 O ATOM 1272 CB ASN A 85 3.853 -13.966 3.098 1.00 30.12 C ATOM 1273 CG ASN A 85 5.267 -14.514 3.019 1.00 22.33 C ATOM 1274 OD1 ASN A 85 5.777 -15.104 3.964 1.00 71.42 O ATOM 1275 ND2 ASN A 85 5.913 -14.319 1.886 1.00 73.14 N ATOM 0 H ASN A 85 3.723 -15.536 5.031 1.00 72.15 H new ATOM 0 HA ASN A 85 4.177 -12.779 4.862 1.00 11.43 H new ATOM 0 HB2 ASN A 85 3.155 -14.731 2.758 1.00 30.12 H new ATOM 0 HB3 ASN A 85 3.759 -13.123 2.414 1.00 30.12 H new ATOM 0 HD21 ASN A 85 6.867 -14.664 1.777 1.00 73.14 H new ATOM 0 HD22 ASN A 85 5.459 -13.824 1.119 1.00 73.14 H new ATOM 1282 N LYS A 86 1.030 -13.715 4.451 1.00 35.15 N ATOM 1283 CA LYS A 86 -0.357 -13.244 4.401 1.00 33.42 C ATOM 1284 C LYS A 86 -0.700 -12.341 5.603 1.00 12.04 C ATOM 1285 O LYS A 86 -1.429 -11.356 5.460 1.00 54.33 O ATOM 1286 CB LYS A 86 -1.303 -14.451 4.330 1.00 12.22 C ATOM 1287 CG LYS A 86 -2.788 -14.094 4.311 1.00 41.05 C ATOM 1288 CD LYS A 86 -3.636 -15.216 3.709 1.00 3.24 C ATOM 1289 CE LYS A 86 -3.397 -16.555 4.396 1.00 1.12 C ATOM 1290 NZ LYS A 86 -4.144 -17.656 3.735 1.00 44.02 N ATOM 0 H LYS A 86 1.125 -14.730 4.478 1.00 35.15 H new ATOM 0 HA LYS A 86 -0.483 -12.635 3.506 1.00 33.42 H new ATOM 0 HB2 LYS A 86 -1.070 -15.027 3.434 1.00 12.22 H new ATOM 0 HB3 LYS A 86 -1.109 -15.099 5.185 1.00 12.22 H new ATOM 0 HG2 LYS A 86 -3.125 -13.889 5.327 1.00 41.05 H new ATOM 0 HG3 LYS A 86 -2.934 -13.180 3.736 1.00 41.05 H new ATOM 0 HD2 LYS A 86 -4.691 -14.953 3.788 1.00 3.24 H new ATOM 0 HD3 LYS A 86 -3.409 -15.310 2.647 1.00 3.24 H new ATOM 0 HE2 LYS A 86 -2.331 -16.783 4.387 1.00 1.12 H new ATOM 0 HE3 LYS A 86 -3.700 -16.487 5.441 1.00 1.12 H new ATOM 0 HZ1 LYS A 86 -4.094 -18.512 4.324 1.00 44.02 H new ATOM 0 HZ2 LYS A 86 -5.138 -17.377 3.614 1.00 44.02 H new ATOM 0 HZ3 LYS A 86 -3.723 -17.851 2.804 1.00 44.02 H new ATOM 1304 N PHE A 87 -0.166 -12.670 6.778 1.00 2.20 N ATOM 1305 CA PHE A 87 -0.382 -11.849 7.978 1.00 5.22 C ATOM 1306 C PHE A 87 0.383 -10.521 7.870 1.00 44.15 C ATOM 1307 O PHE A 87 -0.189 -9.443 8.054 1.00 44.44 O ATOM 1308 CB PHE A 87 0.064 -12.606 9.236 1.00 14.22 C ATOM 1309 CG PHE A 87 -0.364 -11.946 10.523 1.00 2.12 C ATOM 1310 CD1 PHE A 87 -1.621 -12.188 11.057 1.00 33.13 C ATOM 1311 CD2 PHE A 87 0.488 -11.081 11.197 1.00 41.32 C ATOM 1312 CE1 PHE A 87 -2.020 -11.583 12.233 1.00 64.12 C ATOM 1313 CE2 PHE A 87 0.094 -10.472 12.373 1.00 75.15 C ATOM 1314 CZ PHE A 87 -1.162 -10.724 12.892 1.00 2.23 C ATOM 0 H PHE A 87 0.417 -13.493 6.929 1.00 2.20 H new ATOM 0 HA PHE A 87 -1.448 -11.635 8.054 1.00 5.22 H new ATOM 0 HB2 PHE A 87 -0.342 -13.617 9.204 1.00 14.22 H new ATOM 0 HB3 PHE A 87 1.150 -12.698 9.228 1.00 14.22 H new ATOM 0 HD1 PHE A 87 -2.297 -12.858 10.547 1.00 33.13 H new ATOM 0 HD2 PHE A 87 1.471 -10.882 10.797 1.00 41.32 H new ATOM 0 HE1 PHE A 87 -3.002 -11.781 12.637 1.00 64.12 H new ATOM 0 HE2 PHE A 87 0.766 -9.800 12.886 1.00 75.15 H new ATOM 0 HZ PHE A 87 -1.472 -10.250 13.811 1.00 2.23 H new ATOM 1324 N ALA A 88 1.681 -10.614 7.568 1.00 4.22 N ATOM 1325 CA ALA A 88 2.526 -9.429 7.360 1.00 31.15 C ATOM 1326 C ALA A 88 1.956 -8.529 6.251 1.00 23.31 C ATOM 1327 O ALA A 88 2.083 -7.303 6.290 1.00 23.13 O ATOM 1328 CB ALA A 88 3.951 -9.857 7.019 1.00 44.41 C ATOM 0 H ALA A 88 2.174 -11.501 7.461 1.00 4.22 H new ATOM 0 HA ALA A 88 2.540 -8.852 8.285 1.00 31.15 H new ATOM 0 HB1 ALA A 88 4.570 -8.973 6.867 1.00 44.41 H new ATOM 0 HB2 ALA A 88 4.359 -10.449 7.838 1.00 44.41 H new ATOM 0 HB3 ALA A 88 3.943 -10.456 6.108 1.00 44.41 H new ATOM 1334 N PHE A 89 1.330 -9.164 5.266 1.00 20.00 N ATOM 1335 CA PHE A 89 0.657 -8.467 4.169 1.00 73.25 C ATOM 1336 C PHE A 89 -0.588 -7.722 4.684 1.00 62.40 C ATOM 1337 O PHE A 89 -0.777 -6.538 4.407 1.00 35.43 O ATOM 1338 CB PHE A 89 0.265 -9.490 3.091 1.00 43.31 C ATOM 1339 CG PHE A 89 -0.200 -8.888 1.787 1.00 23.43 C ATOM 1340 CD1 PHE A 89 0.715 -8.546 0.800 1.00 73.50 C ATOM 1341 CD2 PHE A 89 -1.549 -8.680 1.544 1.00 33.04 C ATOM 1342 CE1 PHE A 89 0.294 -8.008 -0.400 1.00 44.24 C ATOM 1343 CE2 PHE A 89 -1.975 -8.144 0.344 1.00 42.55 C ATOM 1344 CZ PHE A 89 -1.054 -7.809 -0.628 1.00 12.15 C ATOM 0 H PHE A 89 1.273 -10.180 5.203 1.00 20.00 H new ATOM 0 HA PHE A 89 1.335 -7.729 3.740 1.00 73.25 H new ATOM 0 HB2 PHE A 89 1.122 -10.134 2.893 1.00 43.31 H new ATOM 0 HB3 PHE A 89 -0.528 -10.126 3.485 1.00 43.31 H new ATOM 0 HD1 PHE A 89 1.769 -8.703 0.973 1.00 73.50 H new ATOM 0 HD2 PHE A 89 -2.274 -8.940 2.301 1.00 33.04 H new ATOM 0 HE1 PHE A 89 1.016 -7.744 -1.158 1.00 44.24 H new ATOM 0 HE2 PHE A 89 -3.029 -7.987 0.166 1.00 42.55 H new ATOM 0 HZ PHE A 89 -1.387 -7.391 -1.567 1.00 12.15 H new ATOM 1354 N ARG A 90 -1.428 -8.429 5.448 1.00 61.03 N ATOM 1355 CA ARG A 90 -2.638 -7.840 6.042 1.00 0.33 C ATOM 1356 C ARG A 90 -2.321 -6.619 6.923 1.00 61.41 C ATOM 1357 O ARG A 90 -2.941 -5.560 6.776 1.00 15.54 O ATOM 1358 CB ARG A 90 -3.396 -8.888 6.872 1.00 13.12 C ATOM 1359 CG ARG A 90 -4.204 -9.883 6.044 1.00 2.13 C ATOM 1360 CD ARG A 90 -5.314 -9.189 5.254 1.00 63.43 C ATOM 1361 NE ARG A 90 -6.110 -8.303 6.101 1.00 51.01 N ATOM 1362 CZ ARG A 90 -7.334 -8.540 6.485 1.00 15.40 C ATOM 1363 NH1 ARG A 90 -7.961 -9.603 6.092 1.00 12.42 N ATOM 1364 NH2 ARG A 90 -7.931 -7.704 7.267 1.00 4.32 N ATOM 0 H ARG A 90 -1.293 -9.415 5.672 1.00 61.03 H new ATOM 0 HA ARG A 90 -3.263 -7.503 5.215 1.00 0.33 H new ATOM 0 HB2 ARG A 90 -2.680 -9.438 7.482 1.00 13.12 H new ATOM 0 HB3 ARG A 90 -4.069 -8.373 7.558 1.00 13.12 H new ATOM 0 HG2 ARG A 90 -3.541 -10.408 5.356 1.00 2.13 H new ATOM 0 HG3 ARG A 90 -4.640 -10.635 6.702 1.00 2.13 H new ATOM 0 HD2 ARG A 90 -4.875 -8.615 4.438 1.00 63.43 H new ATOM 0 HD3 ARG A 90 -5.963 -9.940 4.802 1.00 63.43 H new ATOM 0 HE ARG A 90 -5.676 -7.435 6.415 1.00 51.01 H new ATOM 0 HH11 ARG A 90 -7.498 -10.269 5.474 1.00 12.42 H new ATOM 0 HH12 ARG A 90 -8.918 -9.774 6.401 1.00 12.42 H new ATOM 0 HH21 ARG A 90 -7.446 -6.864 7.581 1.00 4.32 H new ATOM 0 HH22 ARG A 90 -8.888 -7.884 7.571 1.00 4.32 H new ATOM 1378 N GLU A 91 -1.370 -6.771 7.847 1.00 71.31 N ATOM 1379 CA GLU A 91 -0.994 -5.670 8.742 1.00 34.25 C ATOM 1380 C GLU A 91 -0.435 -4.480 7.944 1.00 34.41 C ATOM 1381 O GLU A 91 -0.771 -3.328 8.218 1.00 24.21 O ATOM 1382 CB GLU A 91 0.026 -6.133 9.798 1.00 34.35 C ATOM 1383 CG GLU A 91 1.365 -6.577 9.224 1.00 63.12 C ATOM 1384 CD GLU A 91 2.434 -6.756 10.287 1.00 32.20 C ATOM 1385 OE1 GLU A 91 2.377 -7.752 11.037 1.00 34.21 O ATOM 1386 OE2 GLU A 91 3.337 -5.897 10.381 1.00 50.24 O ATOM 0 H GLU A 91 -0.850 -7.636 7.996 1.00 71.31 H new ATOM 0 HA GLU A 91 -1.896 -5.345 9.261 1.00 34.25 H new ATOM 0 HB2 GLU A 91 0.198 -5.319 10.502 1.00 34.35 H new ATOM 0 HB3 GLU A 91 -0.405 -6.958 10.365 1.00 34.35 H new ATOM 0 HG2 GLU A 91 1.231 -7.517 8.689 1.00 63.12 H new ATOM 0 HG3 GLU A 91 1.704 -5.841 8.495 1.00 63.12 H new ATOM 1393 N ALA A 92 0.397 -4.767 6.942 1.00 74.42 N ATOM 1394 CA ALA A 92 0.962 -3.725 6.079 1.00 53.14 C ATOM 1395 C ALA A 92 -0.145 -2.942 5.354 1.00 75.20 C ATOM 1396 O ALA A 92 -0.099 -1.712 5.272 1.00 71.14 O ATOM 1397 CB ALA A 92 1.928 -4.343 5.076 1.00 74.10 C ATOM 0 H ALA A 92 0.696 -5.713 6.707 1.00 74.42 H new ATOM 0 HA ALA A 92 1.508 -3.021 6.707 1.00 53.14 H new ATOM 0 HB1 ALA A 92 2.342 -3.561 4.440 1.00 74.10 H new ATOM 0 HB2 ALA A 92 2.737 -4.842 5.610 1.00 74.10 H new ATOM 0 HB3 ALA A 92 1.398 -5.069 4.460 1.00 74.10 H new ATOM 1403 N VAL A 93 -1.143 -3.661 4.840 1.00 52.23 N ATOM 1404 CA VAL A 93 -2.316 -3.029 4.224 1.00 34.11 C ATOM 1405 C VAL A 93 -3.074 -2.161 5.245 1.00 0.41 C ATOM 1406 O VAL A 93 -3.570 -1.084 4.911 1.00 42.34 O ATOM 1407 CB VAL A 93 -3.277 -4.085 3.621 1.00 63.55 C ATOM 1408 CG1 VAL A 93 -4.539 -3.429 3.064 1.00 42.31 C ATOM 1409 CG2 VAL A 93 -2.573 -4.888 2.530 1.00 1.51 C ATOM 0 H VAL A 93 -1.165 -4.681 4.837 1.00 52.23 H new ATOM 0 HA VAL A 93 -1.952 -2.392 3.418 1.00 34.11 H new ATOM 0 HB VAL A 93 -3.573 -4.763 4.421 1.00 63.55 H new ATOM 0 HG11 VAL A 93 -5.194 -4.195 2.648 1.00 42.31 H new ATOM 0 HG12 VAL A 93 -5.059 -2.903 3.864 1.00 42.31 H new ATOM 0 HG13 VAL A 93 -4.266 -2.721 2.282 1.00 42.31 H new ATOM 0 HG21 VAL A 93 -3.263 -5.625 2.118 1.00 1.51 H new ATOM 0 HG22 VAL A 93 -2.245 -4.215 1.738 1.00 1.51 H new ATOM 0 HG23 VAL A 93 -1.708 -5.398 2.954 1.00 1.51 H new ATOM 1419 N SER A 94 -3.149 -2.633 6.494 1.00 60.44 N ATOM 1420 CA SER A 94 -3.777 -1.857 7.577 1.00 22.20 C ATOM 1421 C SER A 94 -3.054 -0.516 7.775 1.00 14.14 C ATOM 1422 O SER A 94 -3.685 0.538 7.809 1.00 41.00 O ATOM 1423 CB SER A 94 -3.783 -2.649 8.895 1.00 13.34 C ATOM 1424 OG SER A 94 -4.396 -1.909 9.941 1.00 22.44 O ATOM 0 H SER A 94 -2.786 -3.542 6.782 1.00 60.44 H new ATOM 0 HA SER A 94 -4.809 -1.662 7.287 1.00 22.20 H new ATOM 0 HB2 SER A 94 -4.314 -3.590 8.753 1.00 13.34 H new ATOM 0 HB3 SER A 94 -2.760 -2.899 9.176 1.00 13.34 H new ATOM 0 HG SER A 94 -4.386 -2.439 10.766 1.00 22.44 H new ATOM 1430 N LYS A 95 -1.724 -0.557 7.884 1.00 24.45 N ATOM 1431 CA LYS A 95 -0.926 0.675 7.961 1.00 23.12 C ATOM 1432 C LYS A 95 -1.173 1.570 6.734 1.00 2.13 C ATOM 1433 O LYS A 95 -1.258 2.793 6.855 1.00 11.31 O ATOM 1434 CB LYS A 95 0.581 0.370 8.080 1.00 52.32 C ATOM 1435 CG LYS A 95 1.062 0.020 9.491 1.00 45.31 C ATOM 1436 CD LYS A 95 0.527 -1.322 9.977 1.00 64.40 C ATOM 1437 CE LYS A 95 1.097 -1.702 11.338 1.00 14.01 C ATOM 1438 NZ LYS A 95 2.581 -1.834 11.315 1.00 64.41 N ATOM 0 H LYS A 95 -1.179 -1.418 7.921 1.00 24.45 H new ATOM 0 HA LYS A 95 -1.244 1.203 8.860 1.00 23.12 H new ATOM 0 HB2 LYS A 95 0.822 -0.459 7.414 1.00 52.32 H new ATOM 0 HB3 LYS A 95 1.140 1.236 7.726 1.00 52.32 H new ATOM 0 HG2 LYS A 95 2.152 -0.001 9.504 1.00 45.31 H new ATOM 0 HG3 LYS A 95 0.750 0.803 10.182 1.00 45.31 H new ATOM 0 HD2 LYS A 95 -0.560 -1.279 10.038 1.00 64.40 H new ATOM 0 HD3 LYS A 95 0.775 -2.096 9.251 1.00 64.40 H new ATOM 0 HE2 LYS A 95 0.813 -0.947 12.071 1.00 14.01 H new ATOM 0 HE3 LYS A 95 0.656 -2.644 11.663 1.00 14.01 H new ATOM 0 HZ1 LYS A 95 2.900 -2.316 12.179 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 2.867 -2.389 10.483 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 3.013 -0.889 11.266 1.00 64.41 H new ATOM 1452 N LEU A 96 -1.290 0.952 5.558 1.00 52.40 N ATOM 1453 CA LEU A 96 -1.510 1.692 4.309 1.00 60.35 C ATOM 1454 C LEU A 96 -2.818 2.502 4.345 1.00 23.35 C ATOM 1455 O LEU A 96 -2.816 3.708 4.090 1.00 54.11 O ATOM 1456 CB LEU A 96 -1.532 0.725 3.116 1.00 25.22 C ATOM 1457 CG LEU A 96 -1.721 1.381 1.734 1.00 54.01 C ATOM 1458 CD1 LEU A 96 -0.543 2.292 1.399 1.00 5.21 C ATOM 1459 CD2 LEU A 96 -1.911 0.320 0.651 1.00 23.03 C ATOM 0 H LEU A 96 -1.236 -0.060 5.441 1.00 52.40 H new ATOM 0 HA LEU A 96 -0.684 2.394 4.197 1.00 60.35 H new ATOM 0 HB2 LEU A 96 -0.597 0.164 3.108 1.00 25.22 H new ATOM 0 HB3 LEU A 96 -2.335 0.004 3.270 1.00 25.22 H new ATOM 0 HG LEU A 96 -2.622 1.993 1.771 1.00 54.01 H new ATOM 0 HD11 LEU A 96 -0.699 2.743 0.419 1.00 5.21 H new ATOM 0 HD12 LEU A 96 -0.464 3.077 2.152 1.00 5.21 H new ATOM 0 HD13 LEU A 96 0.377 1.707 1.387 1.00 5.21 H new ATOM 0 HD21 LEU A 96 -2.042 0.806 -0.316 1.00 23.03 H new ATOM 0 HD22 LEU A 96 -1.033 -0.326 0.616 1.00 23.03 H new ATOM 0 HD23 LEU A 96 -2.793 -0.279 0.879 1.00 23.03 H new ATOM 1471 N GLU A 97 -3.933 1.845 4.680 1.00 32.32 N ATOM 1472 CA GLU A 97 -5.237 2.521 4.725 1.00 70.51 C ATOM 1473 C GLU A 97 -5.271 3.591 5.831 1.00 35.32 C ATOM 1474 O GLU A 97 -5.813 4.684 5.638 1.00 22.03 O ATOM 1475 CB GLU A 97 -6.378 1.507 4.918 1.00 31.34 C ATOM 1476 CG GLU A 97 -6.362 0.779 6.260 1.00 3.25 C ATOM 1477 CD GLU A 97 -7.469 -0.261 6.387 1.00 13.22 C ATOM 1478 OE1 GLU A 97 -8.638 0.061 6.078 1.00 4.42 O ATOM 1479 OE2 GLU A 97 -7.174 -1.404 6.798 1.00 70.03 O ATOM 0 H GLU A 97 -3.961 0.855 4.922 1.00 32.32 H new ATOM 0 HA GLU A 97 -5.383 3.020 3.767 1.00 70.51 H new ATOM 0 HB2 GLU A 97 -7.330 2.027 4.813 1.00 31.34 H new ATOM 0 HB3 GLU A 97 -6.329 0.768 4.118 1.00 31.34 H new ATOM 0 HG2 GLU A 97 -5.396 0.291 6.391 1.00 3.25 H new ATOM 0 HG3 GLU A 97 -6.462 1.508 7.064 1.00 3.25 H new ATOM 1486 N LEU A 98 -4.676 3.280 6.981 1.00 54.23 N ATOM 1487 CA LEU A 98 -4.572 4.244 8.082 1.00 74.41 C ATOM 1488 C LEU A 98 -3.743 5.471 7.667 1.00 15.32 C ATOM 1489 O LEU A 98 -4.091 6.608 7.987 1.00 12.24 O ATOM 1490 CB LEU A 98 -3.959 3.578 9.320 1.00 23.01 C ATOM 1491 CG LEU A 98 -4.785 2.426 9.916 1.00 12.24 C ATOM 1492 CD1 LEU A 98 -4.038 1.765 11.069 1.00 55.30 C ATOM 1493 CD2 LEU A 98 -6.159 2.920 10.370 1.00 61.34 C ATOM 0 H LEU A 98 -4.258 2.370 7.177 1.00 54.23 H new ATOM 0 HA LEU A 98 -5.578 4.584 8.329 1.00 74.41 H new ATOM 0 HB2 LEU A 98 -2.971 3.199 9.058 1.00 23.01 H new ATOM 0 HB3 LEU A 98 -3.815 4.337 10.089 1.00 23.01 H new ATOM 0 HG LEU A 98 -4.935 1.679 9.137 1.00 12.24 H new ATOM 0 HD11 LEU A 98 -4.641 0.953 11.475 1.00 55.30 H new ATOM 0 HD12 LEU A 98 -3.090 1.367 10.708 1.00 55.30 H new ATOM 0 HD13 LEU A 98 -3.848 2.502 11.850 1.00 55.30 H new ATOM 0 HD21 LEU A 98 -6.725 2.088 10.788 1.00 61.34 H new ATOM 0 HD22 LEU A 98 -6.035 3.692 11.129 1.00 61.34 H new ATOM 0 HD23 LEU A 98 -6.697 3.333 9.517 1.00 61.34 H new ATOM 1505 N SER A 99 -2.660 5.234 6.930 1.00 71.12 N ATOM 1506 CA SER A 99 -1.816 6.323 6.420 1.00 21.32 C ATOM 1507 C SER A 99 -2.579 7.175 5.389 1.00 21.15 C ATOM 1508 O SER A 99 -2.385 8.386 5.299 1.00 74.51 O ATOM 1509 CB SER A 99 -0.525 5.768 5.793 1.00 63.04 C ATOM 1510 OG SER A 99 0.236 5.009 6.728 1.00 62.45 O ATOM 0 H SER A 99 -2.343 4.300 6.670 1.00 71.12 H new ATOM 0 HA SER A 99 -1.549 6.958 7.265 1.00 21.32 H new ATOM 0 HB2 SER A 99 -0.777 5.142 4.937 1.00 63.04 H new ATOM 0 HB3 SER A 99 0.080 6.593 5.417 1.00 63.04 H new ATOM 0 HG SER A 99 0.694 4.280 6.261 1.00 62.45 H new ATOM 1516 N LEU A 100 -3.457 6.535 4.618 1.00 43.53 N ATOM 1517 CA LEU A 100 -4.291 7.245 3.642 1.00 72.12 C ATOM 1518 C LEU A 100 -5.367 8.112 4.328 1.00 21.24 C ATOM 1519 O LEU A 100 -5.629 9.239 3.901 1.00 61.22 O ATOM 1520 CB LEU A 100 -4.952 6.248 2.677 1.00 15.25 C ATOM 1521 CG LEU A 100 -3.987 5.518 1.723 1.00 54.42 C ATOM 1522 CD1 LEU A 100 -4.717 4.444 0.923 1.00 21.31 C ATOM 1523 CD2 LEU A 100 -3.307 6.513 0.785 1.00 11.45 C ATOM 0 H LEU A 100 -3.611 5.527 4.648 1.00 43.53 H new ATOM 0 HA LEU A 100 -3.638 7.912 3.079 1.00 72.12 H new ATOM 0 HB2 LEU A 100 -5.491 5.503 3.263 1.00 15.25 H new ATOM 0 HB3 LEU A 100 -5.693 6.781 2.081 1.00 15.25 H new ATOM 0 HG LEU A 100 -3.222 5.029 2.326 1.00 54.42 H new ATOM 0 HD11 LEU A 100 -4.013 3.944 0.258 1.00 21.31 H new ATOM 0 HD12 LEU A 100 -5.152 3.714 1.606 1.00 21.31 H new ATOM 0 HD13 LEU A 100 -5.509 4.905 0.333 1.00 21.31 H new ATOM 0 HD21 LEU A 100 -2.629 5.980 0.118 1.00 11.45 H new ATOM 0 HD22 LEU A 100 -4.063 7.032 0.195 1.00 11.45 H new ATOM 0 HD23 LEU A 100 -2.743 7.239 1.371 1.00 11.45 H new ATOM 1535 N GLN A 101 -5.991 7.587 5.389 1.00 40.43 N ATOM 1536 CA GLN A 101 -7.055 8.321 6.093 1.00 43.14 C ATOM 1537 C GLN A 101 -6.502 9.532 6.868 1.00 73.05 C ATOM 1538 O GLN A 101 -7.163 10.567 6.967 1.00 31.42 O ATOM 1539 CB GLN A 101 -7.841 7.396 7.040 1.00 3.12 C ATOM 1540 CG GLN A 101 -7.049 6.901 8.245 1.00 42.11 C ATOM 1541 CD GLN A 101 -7.896 6.094 9.219 1.00 1.44 C ATOM 1542 OE1 GLN A 101 -8.851 5.431 8.835 1.00 21.31 O ATOM 1543 NE2 GLN A 101 -7.557 6.149 10.490 1.00 31.32 N ATOM 0 H GLN A 101 -5.783 6.667 5.777 1.00 40.43 H new ATOM 0 HA GLN A 101 -7.737 8.695 5.329 1.00 43.14 H new ATOM 0 HB2 GLN A 101 -8.724 7.927 7.395 1.00 3.12 H new ATOM 0 HB3 GLN A 101 -8.194 6.534 6.474 1.00 3.12 H new ATOM 0 HG2 GLN A 101 -6.217 6.287 7.900 1.00 42.11 H new ATOM 0 HG3 GLN A 101 -6.619 7.756 8.767 1.00 42.11 H new ATOM 0 HE21 GLN A 101 -6.756 6.710 10.780 1.00 31.32 H new ATOM 0 HE22 GLN A 101 -8.095 5.631 11.184 1.00 31.32 H new ATOM 1552 N GLU A 102 -5.295 9.403 7.423 1.00 65.53 N ATOM 1553 CA GLU A 102 -4.660 10.523 8.130 1.00 3.22 C ATOM 1554 C GLU A 102 -4.105 11.563 7.139 1.00 43.40 C ATOM 1555 O GLU A 102 -4.096 12.759 7.427 1.00 3.24 O ATOM 1556 CB GLU A 102 -3.550 10.024 9.078 1.00 52.11 C ATOM 1557 CG GLU A 102 -2.437 9.247 8.386 1.00 25.11 C ATOM 1558 CD GLU A 102 -1.372 8.731 9.348 1.00 72.55 C ATOM 1559 OE1 GLU A 102 -1.664 7.795 10.128 1.00 34.33 O ATOM 1560 OE2 GLU A 102 -0.235 9.246 9.324 1.00 65.13 O ATOM 0 H GLU A 102 -4.741 8.547 7.399 1.00 65.53 H new ATOM 0 HA GLU A 102 -5.426 11.009 8.734 1.00 3.22 H new ATOM 0 HB2 GLU A 102 -3.114 10.881 9.591 1.00 52.11 H new ATOM 0 HB3 GLU A 102 -3.999 9.390 9.842 1.00 52.11 H new ATOM 0 HG2 GLU A 102 -2.872 8.403 7.850 1.00 25.11 H new ATOM 0 HG3 GLU A 102 -1.964 9.888 7.642 1.00 25.11 H new ATOM 1567 N LEU A 103 -3.664 11.111 5.963 1.00 61.50 N ATOM 1568 CA LEU A 103 -3.156 12.024 4.927 1.00 23.22 C ATOM 1569 C LEU A 103 -4.252 12.972 4.412 1.00 33.55 C ATOM 1570 O LEU A 103 -4.088 14.189 4.428 1.00 43.02 O ATOM 1571 CB LEU A 103 -2.573 11.236 3.747 1.00 2.13 C ATOM 1572 CG LEU A 103 -1.995 12.098 2.608 1.00 53.20 C ATOM 1573 CD1 LEU A 103 -0.832 12.957 3.112 1.00 21.45 C ATOM 1574 CD2 LEU A 103 -1.556 11.223 1.437 1.00 62.04 C ATOM 0 H LEU A 103 -3.647 10.125 5.702 1.00 61.50 H new ATOM 0 HA LEU A 103 -2.372 12.623 5.390 1.00 23.22 H new ATOM 0 HB2 LEU A 103 -1.786 10.581 4.121 1.00 2.13 H new ATOM 0 HB3 LEU A 103 -3.354 10.595 3.337 1.00 2.13 H new ATOM 0 HG LEU A 103 -2.781 12.766 2.256 1.00 53.20 H new ATOM 0 HD11 LEU A 103 -0.440 13.557 2.291 1.00 21.45 H new ATOM 0 HD12 LEU A 103 -1.183 13.615 3.907 1.00 21.45 H new ATOM 0 HD13 LEU A 103 -0.043 12.311 3.498 1.00 21.45 H new ATOM 0 HD21 LEU A 103 -1.151 11.852 0.644 1.00 62.04 H new ATOM 0 HD22 LEU A 103 -0.790 10.524 1.772 1.00 62.04 H new ATOM 0 HD23 LEU A 103 -2.413 10.667 1.057 1.00 62.04 H new ATOM 1586 N GLN A 104 -5.369 12.402 3.960 1.00 22.22 N ATOM 1587 CA GLN A 104 -6.449 13.183 3.338 1.00 20.34 C ATOM 1588 C GLN A 104 -7.019 14.269 4.274 1.00 41.13 C ATOM 1589 O GLN A 104 -7.611 15.246 3.813 1.00 70.40 O ATOM 1590 CB GLN A 104 -7.563 12.241 2.858 1.00 14.10 C ATOM 1591 CG GLN A 104 -8.174 11.377 3.957 1.00 31.20 C ATOM 1592 CD GLN A 104 -9.066 10.274 3.409 1.00 1.11 C ATOM 1593 OE1 GLN A 104 -10.264 10.453 3.221 1.00 14.52 O ATOM 1594 NE2 GLN A 104 -8.484 9.123 3.133 1.00 72.35 N ATOM 0 H GLN A 104 -5.554 11.400 4.011 1.00 22.22 H new ATOM 0 HA GLN A 104 -6.020 13.707 2.484 1.00 20.34 H new ATOM 0 HB2 GLN A 104 -8.353 12.836 2.399 1.00 14.10 H new ATOM 0 HB3 GLN A 104 -7.162 11.590 2.081 1.00 14.10 H new ATOM 0 HG2 GLN A 104 -7.375 10.932 4.550 1.00 31.20 H new ATOM 0 HG3 GLN A 104 -8.755 12.008 4.629 1.00 31.20 H new ATOM 0 HE21 GLN A 104 -7.485 9.004 3.300 1.00 72.35 H new ATOM 0 HE22 GLN A 104 -9.033 8.352 2.752 1.00 72.35 H new ATOM 1603 N VAL A 105 -6.836 14.106 5.584 1.00 62.43 N ATOM 1604 CA VAL A 105 -7.286 15.114 6.556 1.00 53.41 C ATOM 1605 C VAL A 105 -6.132 16.025 7.022 1.00 45.11 C ATOM 1606 O VAL A 105 -6.347 17.189 7.359 1.00 53.41 O ATOM 1607 CB VAL A 105 -7.957 14.461 7.792 1.00 22.31 C ATOM 1608 CG1 VAL A 105 -9.189 13.659 7.376 1.00 64.45 C ATOM 1609 CG2 VAL A 105 -6.970 13.577 8.550 1.00 3.21 C ATOM 0 H VAL A 105 -6.383 13.292 5.999 1.00 62.43 H new ATOM 0 HA VAL A 105 -8.023 15.726 6.036 1.00 53.41 H new ATOM 0 HB VAL A 105 -8.276 15.260 8.462 1.00 22.31 H new ATOM 0 HG11 VAL A 105 -9.645 13.209 8.258 1.00 64.45 H new ATOM 0 HG12 VAL A 105 -9.908 14.321 6.893 1.00 64.45 H new ATOM 0 HG13 VAL A 105 -8.894 12.874 6.680 1.00 64.45 H new ATOM 0 HG21 VAL A 105 -7.468 13.132 9.412 1.00 3.21 H new ATOM 0 HG22 VAL A 105 -6.609 12.787 7.891 1.00 3.21 H new ATOM 0 HG23 VAL A 105 -6.128 14.180 8.889 1.00 3.21 H new ATOM 1619 N SER A 106 -4.909 15.491 7.033 1.00 73.21 N ATOM 1620 CA SER A 106 -3.720 16.254 7.461 1.00 11.11 C ATOM 1621 C SER A 106 -2.882 16.728 6.263 1.00 11.20 C ATOM 1622 O SER A 106 -1.714 17.078 6.424 1.00 55.23 O ATOM 1623 CB SER A 106 -2.834 15.407 8.392 1.00 34.20 C ATOM 1624 OG SER A 106 -3.510 15.047 9.592 1.00 51.23 O ATOM 0 H SER A 106 -4.709 14.531 6.751 1.00 73.21 H new ATOM 0 HA SER A 106 -4.084 17.130 7.997 1.00 11.11 H new ATOM 0 HB2 SER A 106 -2.518 14.504 7.869 1.00 34.20 H new ATOM 0 HB3 SER A 106 -1.931 15.965 8.639 1.00 34.20 H new ATOM 0 HG SER A 106 -2.914 14.509 10.154 1.00 51.23 H new ATOM 1630 N SER A 107 -3.478 16.739 5.071 1.00 31.44 N ATOM 1631 CA SER A 107 -2.761 17.105 3.835 1.00 71.31 C ATOM 1632 C SER A 107 -2.032 18.454 3.958 1.00 31.22 C ATOM 1633 O SER A 107 -0.834 18.545 3.683 1.00 31.11 O ATOM 1634 CB SER A 107 -3.735 17.163 2.648 1.00 41.42 C ATOM 1635 OG SER A 107 -4.703 18.187 2.826 1.00 24.14 O ATOM 0 H SER A 107 -4.459 16.499 4.928 1.00 31.44 H new ATOM 0 HA SER A 107 -2.012 16.332 3.666 1.00 71.31 H new ATOM 0 HB2 SER A 107 -3.180 17.340 1.727 1.00 41.42 H new ATOM 0 HB3 SER A 107 -4.236 16.201 2.538 1.00 41.42 H new ATOM 0 HG SER A 107 -5.308 18.202 2.055 1.00 24.14 H new ATOM 1641 N ALA A 108 -2.766 19.499 4.358 1.00 42.44 N ATOM 1642 CA ALA A 108 -2.194 20.846 4.524 1.00 60.31 C ATOM 1643 C ALA A 108 -1.555 21.364 3.223 1.00 4.54 C ATOM 1644 O ALA A 108 -0.711 22.266 3.247 1.00 62.33 O ATOM 1645 CB ALA A 108 -1.171 20.848 5.656 1.00 1.32 C ATOM 0 H ALA A 108 -3.761 19.440 4.574 1.00 42.44 H new ATOM 0 HA ALA A 108 -3.011 21.522 4.777 1.00 60.31 H new ATOM 0 HB1 ALA A 108 -0.755 21.849 5.769 1.00 1.32 H new ATOM 0 HB2 ALA A 108 -1.656 20.550 6.585 1.00 1.32 H new ATOM 0 HB3 ALA A 108 -0.370 20.147 5.424 1.00 1.32 H new ATOM 1651 N ALA A 109 -1.976 20.802 2.092 1.00 54.22 N ATOM 1652 CA ALA A 109 -1.417 21.160 0.788 1.00 33.34 C ATOM 1653 C ALA A 109 -2.283 20.633 -0.365 1.00 42.13 C ATOM 1654 O ALA A 109 -3.153 19.781 -0.169 1.00 72.34 O ATOM 1655 CB ALA A 109 0.007 20.621 0.662 1.00 64.13 C ATOM 0 H ALA A 109 -2.707 20.092 2.052 1.00 54.22 H new ATOM 0 HA ALA A 109 -1.401 22.248 0.721 1.00 33.34 H new ATOM 0 HB1 ALA A 109 0.414 20.893 -0.312 1.00 64.13 H new ATOM 0 HB2 ALA A 109 0.629 21.050 1.448 1.00 64.13 H new ATOM 0 HB3 ALA A 109 -0.005 19.535 0.760 1.00 64.13 H new ATOM 1661 N ALA A 110 -2.054 21.163 -1.562 1.00 51.44 N ATOM 1662 CA ALA A 110 -2.699 20.658 -2.777 1.00 24.23 C ATOM 1663 C ALA A 110 -1.774 19.671 -3.509 1.00 41.34 C ATOM 1664 O ALA A 110 -2.235 18.752 -4.189 1.00 33.30 O ATOM 1665 CB ALA A 110 -3.082 21.816 -3.692 1.00 55.20 C ATOM 0 H ALA A 110 -1.422 21.948 -1.721 1.00 51.44 H new ATOM 0 HA ALA A 110 -3.607 20.127 -2.493 1.00 24.23 H new ATOM 0 HB1 ALA A 110 -3.560 21.427 -4.591 1.00 55.20 H new ATOM 0 HB2 ALA A 110 -3.773 22.478 -3.171 1.00 55.20 H new ATOM 0 HB3 ALA A 110 -2.187 22.372 -3.969 1.00 55.20 H new ATOM 1671 N GLY A 111 -0.463 19.870 -3.363 1.00 24.11 N ATOM 1672 CA GLY A 111 0.512 18.977 -3.981 1.00 3.33 C ATOM 1673 C GLY A 111 1.951 19.337 -3.629 1.00 62.03 C ATOM 1674 O GLY A 111 2.702 19.832 -4.471 1.00 62.55 O ATOM 0 H GLY A 111 -0.056 20.636 -2.826 1.00 24.11 H new ATOM 0 HA2 GLY A 111 0.311 17.953 -3.665 1.00 3.33 H new ATOM 0 HA3 GLY A 111 0.390 19.007 -5.064 1.00 3.33 H new ATOM 1678 N VAL A 112 2.335 19.102 -2.373 1.00 22.42 N ATOM 1679 CA VAL A 112 3.690 19.414 -1.893 1.00 15.30 C ATOM 1680 C VAL A 112 4.329 18.193 -1.201 1.00 31.25 C ATOM 1681 O VAL A 112 3.740 17.619 -0.283 1.00 45.22 O ATOM 1682 CB VAL A 112 3.674 20.608 -0.898 1.00 42.23 C ATOM 1683 CG1 VAL A 112 5.082 20.930 -0.400 1.00 24.21 C ATOM 1684 CG2 VAL A 112 3.033 21.840 -1.537 1.00 43.13 C ATOM 0 H VAL A 112 1.726 18.695 -1.664 1.00 22.42 H new ATOM 0 HA VAL A 112 4.283 19.684 -2.767 1.00 15.30 H new ATOM 0 HB VAL A 112 3.072 20.316 -0.038 1.00 42.23 H new ATOM 0 HG11 VAL A 112 5.039 21.769 0.294 1.00 24.21 H new ATOM 0 HG12 VAL A 112 5.496 20.059 0.108 1.00 24.21 H new ATOM 0 HG13 VAL A 112 5.716 21.192 -1.247 1.00 24.21 H new ATOM 0 HG21 VAL A 112 3.033 22.663 -0.822 1.00 43.13 H new ATOM 0 HG22 VAL A 112 3.601 22.128 -2.422 1.00 43.13 H new ATOM 0 HG23 VAL A 112 2.007 21.609 -1.824 1.00 43.13 H new ATOM 1694 N PRO A 113 5.537 17.774 -1.634 1.00 2.44 N ATOM 1695 CA PRO A 113 6.241 16.628 -1.035 1.00 61.41 C ATOM 1696 C PRO A 113 7.013 16.998 0.248 1.00 44.32 C ATOM 1697 O PRO A 113 7.370 18.158 0.460 1.00 31.24 O ATOM 1698 CB PRO A 113 7.208 16.220 -2.148 1.00 62.14 C ATOM 1699 CG PRO A 113 7.546 17.504 -2.833 1.00 21.15 C ATOM 1700 CD PRO A 113 6.309 18.371 -2.746 1.00 51.43 C ATOM 0 HA PRO A 113 5.556 15.841 -0.718 1.00 61.41 H new ATOM 0 HB2 PRO A 113 8.099 15.738 -1.744 1.00 62.14 H new ATOM 0 HB3 PRO A 113 6.746 15.512 -2.836 1.00 62.14 H new ATOM 0 HG2 PRO A 113 8.395 17.989 -2.352 1.00 21.15 H new ATOM 0 HG3 PRO A 113 7.825 17.329 -3.872 1.00 21.15 H new ATOM 0 HD2 PRO A 113 6.563 19.411 -2.543 1.00 51.43 H new ATOM 0 HD3 PRO A 113 5.744 18.357 -3.678 1.00 51.43 H new ATOM 1708 N GLY A 114 7.242 16.007 1.114 1.00 32.02 N ATOM 1709 CA GLY A 114 8.051 16.214 2.321 1.00 54.31 C ATOM 1710 C GLY A 114 7.357 16.998 3.440 1.00 61.44 C ATOM 1711 O GLY A 114 7.681 16.822 4.614 1.00 53.22 O ATOM 0 H GLY A 114 6.882 15.059 1.004 1.00 32.02 H new ATOM 0 HA2 GLY A 114 8.350 15.241 2.711 1.00 54.31 H new ATOM 0 HA3 GLY A 114 8.964 16.740 2.042 1.00 54.31 H new ATOM 1715 N THR A 115 6.401 17.857 3.085 1.00 52.12 N ATOM 1716 CA THR A 115 5.732 18.743 4.061 1.00 73.12 C ATOM 1717 C THR A 115 5.087 17.985 5.240 1.00 3.44 C ATOM 1718 O THR A 115 4.976 18.525 6.342 1.00 0.42 O ATOM 1719 CB THR A 115 4.654 19.621 3.381 1.00 41.12 C ATOM 1720 OG1 THR A 115 3.997 20.456 4.355 1.00 50.51 O ATOM 1721 CG2 THR A 115 3.619 18.763 2.653 1.00 14.41 C ATOM 0 H THR A 115 6.066 17.964 2.128 1.00 52.12 H new ATOM 0 HA THR A 115 6.527 19.371 4.464 1.00 73.12 H new ATOM 0 HB THR A 115 5.155 20.252 2.647 1.00 41.12 H new ATOM 0 HG1 THR A 115 3.319 21.006 3.910 1.00 50.51 H new ATOM 0 HG21 THR A 115 2.875 19.408 2.186 1.00 14.41 H new ATOM 0 HG22 THR A 115 4.115 18.167 1.887 1.00 14.41 H new ATOM 0 HG23 THR A 115 3.128 18.101 3.367 1.00 14.41 H new ATOM 1729 N ASN A 116 4.666 16.741 5.015 1.00 11.51 N ATOM 1730 CA ASN A 116 4.022 15.943 6.071 1.00 3.33 C ATOM 1731 C ASN A 116 4.704 14.578 6.265 1.00 23.41 C ATOM 1732 O ASN A 116 5.061 13.909 5.294 1.00 3.33 O ATOM 1733 CB ASN A 116 2.537 15.724 5.760 1.00 41.33 C ATOM 1734 CG ASN A 116 1.724 16.994 5.900 1.00 65.42 C ATOM 1735 OD1 ASN A 116 1.303 17.354 6.992 1.00 54.25 O ATOM 1736 ND2 ASN A 116 1.481 17.670 4.798 1.00 14.21 N ATOM 0 H ASN A 116 4.756 16.262 4.119 1.00 11.51 H new ATOM 0 HA ASN A 116 4.124 16.511 6.996 1.00 3.33 H new ATOM 0 HB2 ASN A 116 2.434 15.340 4.745 1.00 41.33 H new ATOM 0 HB3 ASN A 116 2.136 14.964 6.431 1.00 41.33 H new ATOM 0 HD21 ASN A 116 0.925 18.525 4.836 1.00 14.21 H new ATOM 0 HD22 ASN A 116 1.848 17.340 3.906 1.00 14.21 H new ATOM 1743 N PRO A 117 4.858 14.135 7.533 1.00 70.14 N ATOM 1744 CA PRO A 117 5.447 12.821 7.856 1.00 34.23 C ATOM 1745 C PRO A 117 4.598 11.656 7.328 1.00 14.44 C ATOM 1746 O PRO A 117 5.105 10.564 7.073 1.00 4.24 O ATOM 1747 CB PRO A 117 5.481 12.813 9.394 1.00 11.21 C ATOM 1748 CG PRO A 117 4.442 13.803 9.803 1.00 21.52 C ATOM 1749 CD PRO A 117 4.476 14.876 8.753 1.00 54.24 C ATOM 0 HA PRO A 117 6.426 12.688 7.396 1.00 34.23 H new ATOM 0 HB2 PRO A 117 5.260 11.822 9.789 1.00 11.21 H new ATOM 0 HB3 PRO A 117 6.465 13.094 9.769 1.00 11.21 H new ATOM 0 HG2 PRO A 117 3.457 13.339 9.858 1.00 21.52 H new ATOM 0 HG3 PRO A 117 4.657 14.213 10.790 1.00 21.52 H new ATOM 0 HD2 PRO A 117 3.507 15.363 8.642 1.00 54.24 H new ATOM 0 HD3 PRO A 117 5.199 15.655 8.995 1.00 54.24 H new ATOM 1757 N VAL A 118 3.299 11.910 7.153 1.00 0.12 N ATOM 1758 CA VAL A 118 2.369 10.904 6.632 1.00 62.24 C ATOM 1759 C VAL A 118 2.831 10.364 5.268 1.00 15.21 C ATOM 1760 O VAL A 118 2.647 9.188 4.959 1.00 55.00 O ATOM 1761 CB VAL A 118 0.939 11.475 6.492 1.00 64.24 C ATOM 1762 CG1 VAL A 118 -0.035 10.386 6.049 1.00 24.50 C ATOM 1763 CG2 VAL A 118 0.488 12.122 7.802 1.00 21.50 C ATOM 0 H VAL A 118 2.865 12.808 7.366 1.00 0.12 H new ATOM 0 HA VAL A 118 2.357 10.087 7.353 1.00 62.24 H new ATOM 0 HB VAL A 118 0.948 12.247 5.723 1.00 64.24 H new ATOM 0 HG11 VAL A 118 -1.036 10.808 5.956 1.00 24.50 H new ATOM 0 HG12 VAL A 118 0.280 9.986 5.085 1.00 24.50 H new ATOM 0 HG13 VAL A 118 -0.046 9.585 6.788 1.00 24.50 H new ATOM 0 HG21 VAL A 118 -0.521 12.518 7.684 1.00 21.50 H new ATOM 0 HG22 VAL A 118 0.494 11.376 8.597 1.00 21.50 H new ATOM 0 HG23 VAL A 118 1.168 12.933 8.060 1.00 21.50 H new ATOM 1773 N LEU A 119 3.441 11.233 4.464 1.00 73.41 N ATOM 1774 CA LEU A 119 3.985 10.836 3.161 1.00 21.44 C ATOM 1775 C LEU A 119 5.048 9.738 3.322 1.00 44.22 C ATOM 1776 O LEU A 119 5.141 8.813 2.509 1.00 20.33 O ATOM 1777 CB LEU A 119 4.577 12.063 2.451 1.00 13.42 C ATOM 1778 CG LEU A 119 3.584 13.212 2.201 1.00 5.21 C ATOM 1779 CD1 LEU A 119 4.284 14.413 1.572 1.00 4.44 C ATOM 1780 CD2 LEU A 119 2.425 12.740 1.323 1.00 41.34 C ATOM 0 H LEU A 119 3.572 12.219 4.690 1.00 73.41 H new ATOM 0 HA LEU A 119 3.177 10.430 2.553 1.00 21.44 H new ATOM 0 HB2 LEU A 119 5.407 12.443 3.047 1.00 13.42 H new ATOM 0 HB3 LEU A 119 4.991 11.746 1.494 1.00 13.42 H new ATOM 0 HG LEU A 119 3.180 13.525 3.164 1.00 5.21 H new ATOM 0 HD11 LEU A 119 3.560 15.210 1.406 1.00 4.44 H new ATOM 0 HD12 LEU A 119 5.068 14.768 2.241 1.00 4.44 H new ATOM 0 HD13 LEU A 119 4.725 14.119 0.619 1.00 4.44 H new ATOM 0 HD21 LEU A 119 1.734 13.566 1.158 1.00 41.34 H new ATOM 0 HD22 LEU A 119 2.812 12.393 0.365 1.00 41.34 H new ATOM 0 HD23 LEU A 119 1.902 11.923 1.820 1.00 41.34 H new ATOM 1792 N ASN A 120 5.829 9.836 4.395 1.00 2.43 N ATOM 1793 CA ASN A 120 6.836 8.822 4.718 1.00 40.34 C ATOM 1794 C ASN A 120 6.167 7.546 5.256 1.00 53.40 C ATOM 1795 O ASN A 120 6.625 6.433 4.988 1.00 63.11 O ATOM 1796 CB ASN A 120 7.833 9.375 5.741 1.00 54.35 C ATOM 1797 CG ASN A 120 8.476 10.674 5.280 1.00 31.44 C ATOM 1798 OD1 ASN A 120 8.617 10.929 4.089 1.00 31.42 O ATOM 1799 ND2 ASN A 120 8.871 11.506 6.222 1.00 44.43 N ATOM 0 H ASN A 120 5.785 10.609 5.059 1.00 2.43 H new ATOM 0 HA ASN A 120 7.375 8.566 3.806 1.00 40.34 H new ATOM 0 HB2 ASN A 120 7.322 9.542 6.689 1.00 54.35 H new ATOM 0 HB3 ASN A 120 8.610 8.633 5.925 1.00 54.35 H new ATOM 0 HD21 ASN A 120 9.309 12.392 5.969 1.00 44.43 H new ATOM 0 HD22 ASN A 120 8.739 11.264 7.204 1.00 44.43 H new ATOM 1806 N ASN A 121 5.075 7.712 6.014 1.00 12.24 N ATOM 1807 CA ASN A 121 4.280 6.566 6.474 1.00 5.53 C ATOM 1808 C ASN A 121 3.814 5.716 5.285 1.00 11.42 C ATOM 1809 O ASN A 121 4.009 4.501 5.265 1.00 10.31 O ATOM 1810 CB ASN A 121 3.060 7.021 7.288 1.00 65.05 C ATOM 1811 CG ASN A 121 3.438 7.672 8.604 1.00 34.25 C ATOM 1812 OD1 ASN A 121 4.494 7.404 9.169 1.00 2.04 O ATOM 1813 ND2 ASN A 121 2.568 8.516 9.119 1.00 43.52 N ATOM 0 H ASN A 121 4.724 8.620 6.319 1.00 12.24 H new ATOM 0 HA ASN A 121 4.922 5.964 7.117 1.00 5.53 H new ATOM 0 HB2 ASN A 121 2.476 7.725 6.695 1.00 65.05 H new ATOM 0 HB3 ASN A 121 2.420 6.161 7.485 1.00 65.05 H new ATOM 0 HD21 ASN A 121 2.763 8.968 10.012 1.00 43.52 H new ATOM 0 HD22 ASN A 121 1.699 8.718 8.624 1.00 43.52 H new ATOM 1820 N LEU A 122 3.203 6.368 4.295 1.00 35.44 N ATOM 1821 CA LEU A 122 2.798 5.693 3.056 1.00 2.31 C ATOM 1822 C LEU A 122 3.987 5.002 2.381 1.00 5.43 C ATOM 1823 O LEU A 122 3.910 3.826 2.031 1.00 53.04 O ATOM 1824 CB LEU A 122 2.144 6.687 2.082 1.00 3.41 C ATOM 1825 CG LEU A 122 0.694 7.079 2.414 1.00 41.42 C ATOM 1826 CD1 LEU A 122 0.174 8.122 1.428 1.00 53.44 C ATOM 1827 CD2 LEU A 122 -0.205 5.843 2.412 1.00 73.04 C ATOM 0 H LEU A 122 2.977 7.362 4.325 1.00 35.44 H new ATOM 0 HA LEU A 122 2.068 4.930 3.324 1.00 2.31 H new ATOM 0 HB2 LEU A 122 2.750 7.593 2.053 1.00 3.41 H new ATOM 0 HB3 LEU A 122 2.166 6.256 1.081 1.00 3.41 H new ATOM 0 HG LEU A 122 0.678 7.518 3.411 1.00 41.42 H new ATOM 0 HD11 LEU A 122 -0.853 8.383 1.683 1.00 53.44 H new ATOM 0 HD12 LEU A 122 0.799 9.014 1.479 1.00 53.44 H new ATOM 0 HD13 LEU A 122 0.204 7.714 0.418 1.00 53.44 H new ATOM 0 HD21 LEU A 122 -1.228 6.137 2.649 1.00 73.04 H new ATOM 0 HD22 LEU A 122 -0.180 5.376 1.427 1.00 73.04 H new ATOM 0 HD23 LEU A 122 0.151 5.133 3.159 1.00 73.04 H new ATOM 1839 N LEU A 123 5.089 5.731 2.208 1.00 72.34 N ATOM 1840 CA LEU A 123 6.298 5.176 1.583 1.00 43.10 C ATOM 1841 C LEU A 123 6.752 3.883 2.287 1.00 55.54 C ATOM 1842 O LEU A 123 7.088 2.891 1.634 1.00 62.01 O ATOM 1843 CB LEU A 123 7.424 6.221 1.602 1.00 64.01 C ATOM 1844 CG LEU A 123 8.710 5.828 0.851 1.00 73.31 C ATOM 1845 CD1 LEU A 123 8.418 5.565 -0.626 1.00 43.54 C ATOM 1846 CD2 LEU A 123 9.778 6.911 1.007 1.00 50.15 C ATOM 0 H LEU A 123 5.174 6.707 2.490 1.00 72.34 H new ATOM 0 HA LEU A 123 6.061 4.924 0.549 1.00 43.10 H new ATOM 0 HB2 LEU A 123 7.043 7.147 1.173 1.00 64.01 H new ATOM 0 HB3 LEU A 123 7.681 6.433 2.640 1.00 64.01 H new ATOM 0 HG LEU A 123 9.092 4.906 1.290 1.00 73.31 H new ATOM 0 HD11 LEU A 123 9.341 5.289 -1.136 1.00 43.54 H new ATOM 0 HD12 LEU A 123 7.697 4.752 -0.715 1.00 43.54 H new ATOM 0 HD13 LEU A 123 8.007 6.466 -1.082 1.00 43.54 H new ATOM 0 HD21 LEU A 123 10.678 6.614 0.469 1.00 50.15 H new ATOM 0 HD22 LEU A 123 9.405 7.851 0.600 1.00 50.15 H new ATOM 0 HD23 LEU A 123 10.013 7.041 2.063 1.00 50.15 H new ATOM 1858 N SER A 124 6.744 3.900 3.620 1.00 74.12 N ATOM 1859 CA SER A 124 7.110 2.719 4.419 1.00 14.12 C ATOM 1860 C SER A 124 6.095 1.580 4.229 1.00 2.30 C ATOM 1861 O SER A 124 6.470 0.423 4.032 1.00 54.43 O ATOM 1862 CB SER A 124 7.198 3.090 5.909 1.00 21.24 C ATOM 1863 OG SER A 124 7.622 1.989 6.704 1.00 43.35 O ATOM 0 H SER A 124 6.489 4.717 4.174 1.00 74.12 H new ATOM 0 HA SER A 124 8.084 2.373 4.073 1.00 14.12 H new ATOM 0 HB2 SER A 124 7.894 3.919 6.036 1.00 21.24 H new ATOM 0 HB3 SER A 124 6.224 3.435 6.256 1.00 21.24 H new ATOM 0 HG SER A 124 7.668 2.263 7.644 1.00 43.35 H new ATOM 1869 N CYS A 125 4.806 1.919 4.289 1.00 52.01 N ATOM 1870 CA CYS A 125 3.727 0.937 4.091 1.00 60.13 C ATOM 1871 C CYS A 125 3.835 0.245 2.721 1.00 41.55 C ATOM 1872 O CYS A 125 3.709 -0.977 2.617 1.00 0.34 O ATOM 1873 CB CYS A 125 2.353 1.615 4.221 1.00 73.23 C ATOM 1874 SG CYS A 125 2.067 2.437 5.811 1.00 3.34 S ATOM 0 H CYS A 125 4.479 2.867 4.473 1.00 52.01 H new ATOM 0 HA CYS A 125 3.831 0.177 4.866 1.00 60.13 H new ATOM 0 HB2 CYS A 125 2.248 2.350 3.423 1.00 73.23 H new ATOM 0 HB3 CYS A 125 1.576 0.865 4.069 1.00 73.23 H new ATOM 0 HG CYS A 125 2.936 3.391 5.969 1.00 3.34 H new ATOM 1880 N VAL A 126 4.076 1.034 1.675 1.00 54.43 N ATOM 1881 CA VAL A 126 4.204 0.511 0.310 1.00 42.21 C ATOM 1882 C VAL A 126 5.390 -0.459 0.182 1.00 63.23 C ATOM 1883 O VAL A 126 5.229 -1.592 -0.282 1.00 11.33 O ATOM 1884 CB VAL A 126 4.366 1.661 -0.718 1.00 62.50 C ATOM 1885 CG1 VAL A 126 4.545 1.115 -2.136 1.00 54.15 C ATOM 1886 CG2 VAL A 126 3.170 2.610 -0.653 1.00 62.22 C ATOM 0 H VAL A 126 4.188 2.045 1.745 1.00 54.43 H new ATOM 0 HA VAL A 126 3.284 -0.034 0.095 1.00 42.21 H new ATOM 0 HB VAL A 126 5.266 2.219 -0.459 1.00 62.50 H new ATOM 0 HG11 VAL A 126 4.656 1.945 -2.834 1.00 54.15 H new ATOM 0 HG12 VAL A 126 5.435 0.487 -2.174 1.00 54.15 H new ATOM 0 HG13 VAL A 126 3.672 0.524 -2.411 1.00 54.15 H new ATOM 0 HG21 VAL A 126 3.301 3.411 -1.381 1.00 62.22 H new ATOM 0 HG22 VAL A 126 2.256 2.060 -0.879 1.00 62.22 H new ATOM 0 HG23 VAL A 126 3.099 3.037 0.347 1.00 62.22 H new ATOM 1896 N GLN A 127 6.576 -0.012 0.605 1.00 70.21 N ATOM 1897 CA GLN A 127 7.782 -0.848 0.551 1.00 23.14 C ATOM 1898 C GLN A 127 7.597 -2.161 1.325 1.00 45.02 C ATOM 1899 O GLN A 127 8.162 -3.192 0.959 1.00 12.54 O ATOM 1900 CB GLN A 127 9.003 -0.091 1.102 1.00 11.24 C ATOM 1901 CG GLN A 127 9.427 1.105 0.255 1.00 5.02 C ATOM 1902 CD GLN A 127 10.717 1.744 0.748 1.00 44.45 C ATOM 1903 OE1 GLN A 127 11.578 1.082 1.323 1.00 41.15 O ATOM 1904 NE2 GLN A 127 10.868 3.031 0.517 1.00 1.22 N ATOM 0 H GLN A 127 6.728 0.921 0.988 1.00 70.21 H new ATOM 0 HA GLN A 127 7.955 -1.089 -0.498 1.00 23.14 H new ATOM 0 HB2 GLN A 127 8.779 0.253 2.112 1.00 11.24 H new ATOM 0 HB3 GLN A 127 9.841 -0.783 1.180 1.00 11.24 H new ATOM 0 HG2 GLN A 127 9.556 0.785 -0.779 1.00 5.02 H new ATOM 0 HG3 GLN A 127 8.631 1.850 0.261 1.00 5.02 H new ATOM 0 HE21 GLN A 127 10.134 3.553 0.037 1.00 1.22 H new ATOM 0 HE22 GLN A 127 11.719 3.507 0.818 1.00 1.22 H new ATOM 1913 N GLU A 128 6.819 -2.118 2.404 1.00 20.53 N ATOM 1914 CA GLU A 128 6.536 -3.320 3.192 1.00 14.22 C ATOM 1915 C GLU A 128 5.686 -4.314 2.386 1.00 63.13 C ATOM 1916 O GLU A 128 6.065 -5.472 2.213 1.00 1.42 O ATOM 1917 CB GLU A 128 5.815 -2.948 4.495 1.00 42.34 C ATOM 1918 CG GLU A 128 5.711 -4.092 5.502 1.00 23.41 C ATOM 1919 CD GLU A 128 7.068 -4.522 6.041 1.00 72.24 C ATOM 1920 OE1 GLU A 128 7.646 -3.775 6.856 1.00 44.43 O ATOM 1921 OE2 GLU A 128 7.560 -5.608 5.658 1.00 65.01 O ATOM 0 H GLU A 128 6.374 -1.269 2.753 1.00 20.53 H new ATOM 0 HA GLU A 128 7.486 -3.796 3.437 1.00 14.22 H new ATOM 0 HB2 GLU A 128 6.340 -2.114 4.962 1.00 42.34 H new ATOM 0 HB3 GLU A 128 4.811 -2.598 4.254 1.00 42.34 H new ATOM 0 HG2 GLU A 128 5.075 -3.784 6.332 1.00 23.41 H new ATOM 0 HG3 GLU A 128 5.225 -4.945 5.028 1.00 23.41 H new ATOM 1928 N ILE A 129 4.548 -3.838 1.876 1.00 14.44 N ATOM 1929 CA ILE A 129 3.626 -4.674 1.089 1.00 52.14 C ATOM 1930 C ILE A 129 4.336 -5.362 -0.091 1.00 35.43 C ATOM 1931 O ILE A 129 4.232 -6.578 -0.271 1.00 12.23 O ATOM 1932 CB ILE A 129 2.439 -3.834 0.543 1.00 40.14 C ATOM 1933 CG1 ILE A 129 1.633 -3.225 1.702 1.00 42.24 C ATOM 1934 CG2 ILE A 129 1.535 -4.682 -0.355 1.00 72.14 C ATOM 1935 CD1 ILE A 129 0.485 -2.343 1.256 1.00 72.14 C ATOM 0 H ILE A 129 4.238 -2.873 1.992 1.00 14.44 H new ATOM 0 HA ILE A 129 3.251 -5.442 1.766 1.00 52.14 H new ATOM 0 HB ILE A 129 2.846 -3.022 -0.060 1.00 40.14 H new ATOM 0 HG12 ILE A 129 1.239 -4.031 2.321 1.00 42.24 H new ATOM 0 HG13 ILE A 129 2.305 -2.640 2.330 1.00 42.24 H new ATOM 0 HG21 ILE A 129 0.712 -4.070 -0.724 1.00 72.14 H new ATOM 0 HG22 ILE A 129 2.112 -5.061 -1.198 1.00 72.14 H new ATOM 0 HG23 ILE A 129 1.136 -5.520 0.217 1.00 72.14 H new ATOM 0 HD11 ILE A 129 -0.034 -1.952 2.131 1.00 72.14 H new ATOM 0 HD12 ILE A 129 0.872 -1.514 0.663 1.00 72.14 H new ATOM 0 HD13 ILE A 129 -0.210 -2.927 0.653 1.00 72.14 H new ATOM 1947 N SER A 130 5.060 -4.577 -0.887 1.00 21.23 N ATOM 1948 CA SER A 130 5.770 -5.106 -2.061 1.00 52.31 C ATOM 1949 C SER A 130 6.859 -6.112 -1.658 1.00 20.33 C ATOM 1950 O SER A 130 7.080 -7.111 -2.346 1.00 35.42 O ATOM 1951 CB SER A 130 6.396 -3.962 -2.872 1.00 62.23 C ATOM 1952 OG SER A 130 7.355 -3.252 -2.104 1.00 10.34 O ATOM 0 H SER A 130 5.173 -3.573 -0.745 1.00 21.23 H new ATOM 0 HA SER A 130 5.037 -5.627 -2.677 1.00 52.31 H new ATOM 0 HB2 SER A 130 6.870 -4.365 -3.767 1.00 62.23 H new ATOM 0 HB3 SER A 130 5.615 -3.279 -3.204 1.00 62.23 H new ATOM 0 HG SER A 130 6.897 -2.716 -1.423 1.00 10.34 H new ATOM 1958 N ASP A 131 7.529 -5.847 -0.539 1.00 14.51 N ATOM 1959 CA ASP A 131 8.607 -6.715 -0.047 1.00 21.52 C ATOM 1960 C ASP A 131 8.069 -8.068 0.464 1.00 32.32 C ATOM 1961 O ASP A 131 8.694 -9.110 0.255 1.00 65.22 O ATOM 1962 CB ASP A 131 9.374 -5.989 1.063 1.00 14.13 C ATOM 1963 CG ASP A 131 10.552 -6.784 1.599 1.00 51.11 C ATOM 1964 OD1 ASP A 131 11.544 -6.962 0.865 1.00 41.41 O ATOM 1965 OD2 ASP A 131 10.499 -7.214 2.772 1.00 14.30 O ATOM 0 H ASP A 131 7.346 -5.035 0.050 1.00 14.51 H new ATOM 0 HA ASP A 131 9.278 -6.932 -0.878 1.00 21.52 H new ATOM 0 HB2 ASP A 131 9.733 -5.033 0.681 1.00 14.13 H new ATOM 0 HB3 ASP A 131 8.690 -5.768 1.883 1.00 14.13 H new ATOM 1970 N VAL A 132 6.910 -8.046 1.125 1.00 33.15 N ATOM 1971 CA VAL A 132 6.277 -9.277 1.631 1.00 11.42 C ATOM 1972 C VAL A 132 6.052 -10.303 0.504 1.00 14.21 C ATOM 1973 O VAL A 132 6.227 -11.509 0.696 1.00 51.31 O ATOM 1974 CB VAL A 132 4.921 -8.974 2.329 1.00 51.34 C ATOM 1975 CG1 VAL A 132 4.207 -10.267 2.733 1.00 41.53 C ATOM 1976 CG2 VAL A 132 5.129 -8.073 3.546 1.00 62.34 C ATOM 0 H VAL A 132 6.387 -7.193 1.325 1.00 33.15 H new ATOM 0 HA VAL A 132 6.965 -9.702 2.362 1.00 11.42 H new ATOM 0 HB VAL A 132 4.288 -8.448 1.615 1.00 51.34 H new ATOM 0 HG11 VAL A 132 3.262 -10.024 3.219 1.00 41.53 H new ATOM 0 HG12 VAL A 132 4.014 -10.869 1.845 1.00 41.53 H new ATOM 0 HG13 VAL A 132 4.836 -10.829 3.423 1.00 41.53 H new ATOM 0 HG21 VAL A 132 4.168 -7.873 4.019 1.00 62.34 H new ATOM 0 HG22 VAL A 132 5.788 -8.570 4.258 1.00 62.34 H new ATOM 0 HG23 VAL A 132 5.580 -7.132 3.230 1.00 62.34 H new ATOM 1986 N VAL A 133 5.682 -9.813 -0.675 1.00 62.14 N ATOM 1987 CA VAL A 133 5.430 -10.679 -1.835 1.00 14.13 C ATOM 1988 C VAL A 133 6.738 -11.285 -2.395 1.00 50.34 C ATOM 1989 O VAL A 133 6.719 -12.274 -3.129 1.00 65.01 O ATOM 1990 CB VAL A 133 4.702 -9.896 -2.959 1.00 12.41 C ATOM 1991 CG1 VAL A 133 4.299 -10.817 -4.112 1.00 34.10 C ATOM 1992 CG2 VAL A 133 3.484 -9.161 -2.400 1.00 71.44 C ATOM 0 H VAL A 133 5.548 -8.819 -0.858 1.00 62.14 H new ATOM 0 HA VAL A 133 4.794 -11.494 -1.490 1.00 14.13 H new ATOM 0 HB VAL A 133 5.399 -9.158 -3.356 1.00 12.41 H new ATOM 0 HG11 VAL A 133 3.791 -10.236 -4.882 1.00 34.10 H new ATOM 0 HG12 VAL A 133 5.190 -11.281 -4.536 1.00 34.10 H new ATOM 0 HG13 VAL A 133 3.628 -11.592 -3.741 1.00 34.10 H new ATOM 0 HG21 VAL A 133 2.987 -8.618 -3.203 1.00 71.44 H new ATOM 0 HG22 VAL A 133 2.791 -9.882 -1.966 1.00 71.44 H new ATOM 0 HG23 VAL A 133 3.804 -8.458 -1.631 1.00 71.44 H new ATOM 2002 N GLN A 134 7.874 -10.690 -2.032 1.00 34.41 N ATOM 2003 CA GLN A 134 9.189 -11.128 -2.531 1.00 61.02 C ATOM 2004 C GLN A 134 9.878 -12.096 -1.550 1.00 24.32 C ATOM 2005 O GLN A 134 11.074 -12.367 -1.666 1.00 73.51 O ATOM 2006 CB GLN A 134 10.083 -9.897 -2.763 1.00 53.05 C ATOM 2007 CG GLN A 134 9.422 -8.820 -3.617 1.00 41.22 C ATOM 2008 CD GLN A 134 10.247 -7.550 -3.725 1.00 31.53 C ATOM 2009 OE1 GLN A 134 11.474 -7.577 -3.712 1.00 25.42 O ATOM 2010 NE2 GLN A 134 9.573 -6.422 -3.811 1.00 51.04 N ATOM 0 H GLN A 134 7.916 -9.898 -1.390 1.00 34.41 H new ATOM 0 HA GLN A 134 9.035 -11.661 -3.469 1.00 61.02 H new ATOM 0 HB2 GLN A 134 10.356 -9.469 -1.799 1.00 53.05 H new ATOM 0 HB3 GLN A 134 11.008 -10.215 -3.244 1.00 53.05 H new ATOM 0 HG2 GLN A 134 9.245 -9.216 -4.617 1.00 41.22 H new ATOM 0 HG3 GLN A 134 8.447 -8.577 -3.193 1.00 41.22 H new ATOM 0 HE21 GLN A 134 8.553 -6.437 -3.819 1.00 51.04 H new ATOM 0 HE22 GLN A 134 10.071 -5.534 -3.869 1.00 51.04 H new ATOM 2019 N ARG A 135 9.118 -12.615 -0.583 1.00 30.51 N ATOM 2020 CA ARG A 135 9.666 -13.520 0.445 1.00 25.23 C ATOM 2021 C ARG A 135 9.312 -14.995 0.167 1.00 71.05 C ATOM 2022 O ARG A 135 8.148 -15.392 0.411 1.00 37.99 O ATOM 2023 CB ARG A 135 9.151 -13.104 1.829 1.00 3.04 C ATOM 2024 CG ARG A 135 9.488 -11.664 2.182 1.00 0.43 C ATOM 2025 CD ARG A 135 8.934 -11.259 3.541 1.00 3.31 C ATOM 2026 NE ARG A 135 9.195 -9.849 3.820 1.00 53.13 N ATOM 2027 CZ ARG A 135 8.522 -9.125 4.672 1.00 2.01 C ATOM 2028 NH1 ARG A 135 7.560 -9.640 5.370 1.00 1.34 N ATOM 2029 NH2 ARG A 135 8.820 -7.878 4.818 1.00 12.10 N ATOM 2030 OXT ARG A 135 10.202 -15.754 -0.283 1.00 37.99 O ATOM 0 H ARG A 135 8.120 -12.427 -0.485 1.00 30.51 H new ATOM 0 HA ARG A 135 10.752 -13.437 0.416 1.00 25.23 H new ATOM 0 HB2 ARG A 135 8.070 -13.237 1.863 1.00 3.04 H new ATOM 0 HB3 ARG A 135 9.577 -13.766 2.583 1.00 3.04 H new ATOM 0 HG2 ARG A 135 10.570 -11.535 2.180 1.00 0.43 H new ATOM 0 HG3 ARG A 135 9.087 -11.001 1.416 1.00 0.43 H new ATOM 0 HD2 ARG A 135 7.860 -11.445 3.569 1.00 3.31 H new ATOM 0 HD3 ARG A 135 9.385 -11.876 4.319 1.00 3.31 H new ATOM 0 HE ARG A 135 9.957 -9.399 3.313 1.00 53.13 H new ATOM 0 HH11 ARG A 135 7.319 -10.625 5.258 1.00 1.34 H new ATOM 0 HH12 ARG A 135 7.043 -9.061 6.032 1.00 1.34 H new ATOM 0 HH21 ARG A 135 9.576 -7.467 4.270 1.00 12.10 H new ATOM 0 HH22 ARG A 135 8.300 -7.304 5.481 1.00 12.10 H new