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 -144:sc= -0.945! USER MOD Set 1.2: A 125 CYS SG : rot 68:sc= 0.118 USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 CYS SG : rot 91:sc= 0.736 USER MOD Set 3.2: A 72 TYR OH : rot -101:sc=0.000601 USER MOD Set 4.1: A 61 GLN : amide:sc= -0.968 X(o=-0.18,f=-0.29!) USER MOD Set 4.2: A 65 THR OG1 : rot 79:sc= 0.788 USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00844 (180deg=-0.115) USER MOD Single : A 38 SER OG : rot 55:sc= 0.0714 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -32:sc= 0.94 USER MOD Single : A 51 SER OG : rot -71:sc= 0.2 USER MOD Single : A 54 THR OG1 : rot -8:sc= 0.859 USER MOD Single : A 59 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.84) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 68 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.55) USER MOD Single : A 73 CYS SG : rot 83:sc= 0.0324 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.193 USER MOD Single : A 79 CYS SG : rot -16:sc= 0.44 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -2.02! C(o=-2!,f=-4.9!) USER MOD Single : A 94 SER OG : rot 72:sc= 0.951 USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0632) USER MOD Single : A 101 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.4) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.217 F(o=-0.87,f=-0.22) USER MOD Single : A 106 SER OG : rot 93:sc= 0.381 USER MOD Single : A 107 SER OG : rot -92:sc= 0.0474 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.257 K(o=0.26,f=-0.94) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 121 ASN : amide:sc= -1.72! X(o=-1.7!,f=-1.5) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 130 SER OG : rot -74:sc= 0.773 USER MOD Single : A 134 GLN : amide:sc= 0.0222 X(o=0.022,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.271 -12.125 -10.468 1.00 4.45 N ATOM 529 CA LYS A 36 -7.611 -11.415 -11.569 1.00 72.42 C ATOM 530 C LYS A 36 -6.343 -10.695 -11.066 1.00 73.00 C ATOM 531 O LYS A 36 -5.379 -10.506 -11.815 1.00 54.44 O ATOM 532 CB LYS A 36 -8.611 -10.418 -12.198 1.00 44.31 C ATOM 533 CG LYS A 36 -8.183 -9.798 -13.535 1.00 41.03 C ATOM 534 CD LYS A 36 -7.206 -8.632 -13.370 1.00 53.25 C ATOM 535 CE LYS A 36 -6.861 -7.988 -14.708 1.00 0.03 C ATOM 536 NZ LYS A 36 -6.211 -8.944 -15.646 1.00 50.31 N ATOM 0 HA LYS A 36 -7.298 -12.129 -12.331 1.00 72.42 H new ATOM 0 HB2 LYS A 36 -9.562 -10.930 -12.344 1.00 44.31 H new ATOM 0 HB3 LYS A 36 -8.789 -9.612 -11.486 1.00 44.31 H new ATOM 0 HG2 LYS A 36 -7.721 -10.567 -14.154 1.00 41.03 H new ATOM 0 HG3 LYS A 36 -9.068 -9.450 -14.067 1.00 41.03 H new ATOM 0 HD2 LYS A 36 -7.642 -7.884 -12.708 1.00 53.25 H new ATOM 0 HD3 LYS A 36 -6.293 -8.988 -12.892 1.00 53.25 H new ATOM 0 HE2 LYS A 36 -7.770 -7.596 -15.165 1.00 0.03 H new ATOM 0 HE3 LYS A 36 -6.197 -7.140 -14.540 1.00 0.03 H new ATOM 0 HZ1 LYS A 36 -5.874 -8.431 -16.486 1.00 50.31 H new ATOM 0 HZ2 LYS A 36 -5.406 -9.401 -15.173 1.00 50.31 H new ATOM 0 HZ3 LYS A 36 -6.899 -9.668 -15.936 1.00 50.31 H new ATOM 550 N ILE A 37 -6.351 -10.307 -9.788 1.00 1.02 N ATOM 551 CA ILE A 37 -5.210 -9.611 -9.174 1.00 65.42 C ATOM 552 C ILE A 37 -3.928 -10.465 -9.237 1.00 14.15 C ATOM 553 O ILE A 37 -3.697 -11.328 -8.389 1.00 1.24 O ATOM 554 CB ILE A 37 -5.489 -9.241 -7.693 1.00 74.53 C ATOM 555 CG1 ILE A 37 -6.835 -8.505 -7.553 1.00 12.33 C ATOM 556 CG2 ILE A 37 -4.347 -8.393 -7.130 1.00 3.23 C ATOM 557 CD1 ILE A 37 -6.950 -7.244 -8.389 1.00 0.22 C ATOM 0 H ILE A 37 -7.135 -10.462 -9.155 1.00 1.02 H new ATOM 0 HA ILE A 37 -5.066 -8.696 -9.749 1.00 65.42 H new ATOM 0 HB ILE A 37 -5.550 -10.164 -7.117 1.00 74.53 H new ATOM 0 HG12 ILE A 37 -7.639 -9.186 -7.833 1.00 12.33 H new ATOM 0 HG13 ILE A 37 -6.987 -8.247 -6.505 1.00 12.33 H new ATOM 0 HG21 ILE A 37 -4.558 -8.142 -6.091 1.00 3.23 H new ATOM 0 HG22 ILE A 37 -3.415 -8.955 -7.185 1.00 3.23 H new ATOM 0 HG23 ILE A 37 -4.253 -7.477 -7.713 1.00 3.23 H new ATOM 0 HD11 ILE A 37 -7.928 -6.790 -8.230 1.00 0.22 H new ATOM 0 HD12 ILE A 37 -6.171 -6.540 -8.095 1.00 0.22 H new ATOM 0 HD13 ILE A 37 -6.833 -7.495 -9.443 1.00 0.22 H new ATOM 569 N SER A 38 -3.107 -10.228 -10.256 1.00 41.20 N ATOM 570 CA SER A 38 -1.849 -10.968 -10.429 1.00 71.24 C ATOM 571 C SER A 38 -0.696 -10.296 -9.665 1.00 31.11 C ATOM 572 O SER A 38 -0.754 -9.102 -9.359 1.00 15.34 O ATOM 573 CB SER A 38 -1.496 -11.071 -11.920 1.00 74.21 C ATOM 574 OG SER A 38 -2.548 -11.682 -12.656 1.00 73.12 O ATOM 0 H SER A 38 -3.285 -9.530 -10.978 1.00 41.20 H new ATOM 0 HA SER A 38 -1.991 -11.969 -10.021 1.00 71.24 H new ATOM 0 HB2 SER A 38 -1.299 -10.076 -12.319 1.00 74.21 H new ATOM 0 HB3 SER A 38 -0.580 -11.650 -12.041 1.00 74.21 H new ATOM 0 HG SER A 38 -3.384 -11.197 -12.495 1.00 73.12 H new ATOM 580 N LYS A 39 0.356 -11.065 -9.378 1.00 63.10 N ATOM 581 CA LYS A 39 1.517 -10.562 -8.629 1.00 72.33 C ATOM 582 C LYS A 39 2.110 -9.304 -9.284 1.00 31.42 C ATOM 583 O LYS A 39 2.255 -8.264 -8.638 1.00 43.24 O ATOM 584 CB LYS A 39 2.583 -11.662 -8.522 1.00 24.15 C ATOM 585 CG LYS A 39 3.796 -11.273 -7.682 1.00 12.02 C ATOM 586 CD LYS A 39 4.813 -12.410 -7.588 1.00 2.03 C ATOM 587 CE LYS A 39 6.010 -12.033 -6.721 1.00 54.31 C ATOM 588 NZ LYS A 39 7.023 -13.118 -6.670 1.00 0.24 N ATOM 0 H LYS A 39 0.431 -12.044 -9.653 1.00 63.10 H new ATOM 0 HA LYS A 39 1.182 -10.285 -7.630 1.00 72.33 H new ATOM 0 HB2 LYS A 39 2.128 -12.554 -8.092 1.00 24.15 H new ATOM 0 HB3 LYS A 39 2.918 -11.927 -9.525 1.00 24.15 H new ATOM 0 HG2 LYS A 39 4.273 -10.395 -8.118 1.00 12.02 H new ATOM 0 HG3 LYS A 39 3.469 -10.994 -6.680 1.00 12.02 H new ATOM 0 HD2 LYS A 39 4.330 -13.296 -7.175 1.00 2.03 H new ATOM 0 HD3 LYS A 39 5.158 -12.672 -8.588 1.00 2.03 H new ATOM 0 HE2 LYS A 39 6.470 -11.126 -7.112 1.00 54.31 H new ATOM 0 HE3 LYS A 39 5.669 -11.807 -5.711 1.00 54.31 H new ATOM 0 HZ1 LYS A 39 7.820 -12.821 -6.071 1.00 0.24 H new ATOM 0 HZ2 LYS A 39 6.592 -13.977 -6.273 1.00 0.24 H new ATOM 0 HZ3 LYS A 39 7.368 -13.316 -7.631 1.00 0.24 H new ATOM 602 N GLU A 40 2.444 -9.404 -10.573 1.00 54.04 N ATOM 603 CA GLU A 40 2.955 -8.253 -11.328 1.00 51.24 C ATOM 604 C GLU A 40 1.984 -7.063 -11.274 1.00 41.24 C ATOM 605 O GLU A 40 2.404 -5.918 -11.132 1.00 60.44 O ATOM 606 CB GLU A 40 3.229 -8.636 -12.793 1.00 2.11 C ATOM 607 CG GLU A 40 2.006 -9.158 -13.547 1.00 15.43 C ATOM 608 CD GLU A 40 2.280 -9.394 -15.028 1.00 41.25 C ATOM 609 OE1 GLU A 40 3.095 -10.281 -15.353 1.00 34.21 O ATOM 610 OE2 GLU A 40 1.686 -8.688 -15.873 1.00 23.41 O ATOM 0 H GLU A 40 2.371 -10.265 -11.115 1.00 54.04 H new ATOM 0 HA GLU A 40 3.891 -7.951 -10.858 1.00 51.24 H new ATOM 0 HB2 GLU A 40 3.619 -7.764 -13.317 1.00 2.11 H new ATOM 0 HB3 GLU A 40 4.008 -9.398 -12.817 1.00 2.11 H new ATOM 0 HG2 GLU A 40 1.675 -10.091 -13.091 1.00 15.43 H new ATOM 0 HG3 GLU A 40 1.189 -8.444 -13.443 1.00 15.43 H new ATOM 617 N ALA A 41 0.682 -7.350 -11.365 1.00 73.23 N ATOM 618 CA ALA A 41 -0.352 -6.308 -11.367 1.00 42.33 C ATOM 619 C ALA A 41 -0.315 -5.459 -10.087 1.00 13.13 C ATOM 620 O ALA A 41 -0.449 -4.235 -10.133 1.00 4.12 O ATOM 621 CB ALA A 41 -1.729 -6.939 -11.553 1.00 32.01 C ATOM 0 H ALA A 41 0.317 -8.300 -11.439 1.00 73.23 H new ATOM 0 HA ALA A 41 -0.148 -5.639 -12.203 1.00 42.33 H new ATOM 0 HB1 ALA A 41 -2.490 -6.158 -11.553 1.00 32.01 H new ATOM 0 HB2 ALA A 41 -1.759 -7.475 -12.502 1.00 32.01 H new ATOM 0 HB3 ALA A 41 -1.923 -7.635 -10.737 1.00 32.01 H new ATOM 627 N LEU A 42 -0.132 -6.115 -8.949 1.00 21.31 N ATOM 628 CA LEU A 42 -0.040 -5.414 -7.665 1.00 41.43 C ATOM 629 C LEU A 42 1.286 -4.641 -7.558 1.00 12.44 C ATOM 630 O LEU A 42 1.303 -3.463 -7.201 1.00 31.24 O ATOM 631 CB LEU A 42 -0.190 -6.423 -6.507 1.00 31.22 C ATOM 632 CG LEU A 42 -0.323 -5.823 -5.086 1.00 11.12 C ATOM 633 CD1 LEU A 42 -1.012 -6.812 -4.149 1.00 33.13 C ATOM 634 CD2 LEU A 42 1.042 -5.431 -4.508 1.00 4.42 C ATOM 0 H LEU A 42 -0.044 -7.129 -8.883 1.00 21.31 H new ATOM 0 HA LEU A 42 -0.850 -4.687 -7.600 1.00 41.43 H new ATOM 0 HB2 LEU A 42 -1.068 -7.039 -6.702 1.00 31.22 H new ATOM 0 HB3 LEU A 42 0.674 -7.087 -6.518 1.00 31.22 H new ATOM 0 HG LEU A 42 -0.930 -4.921 -5.170 1.00 11.12 H new ATOM 0 HD11 LEU A 42 -1.097 -6.373 -3.155 1.00 33.13 H new ATOM 0 HD12 LEU A 42 -2.007 -7.042 -4.530 1.00 33.13 H new ATOM 0 HD13 LEU A 42 -0.425 -7.729 -4.092 1.00 33.13 H new ATOM 0 HD21 LEU A 42 0.908 -5.014 -3.510 1.00 4.42 H new ATOM 0 HD22 LEU A 42 1.680 -6.313 -4.450 1.00 4.42 H new ATOM 0 HD23 LEU A 42 1.510 -4.687 -5.153 1.00 4.42 H new ATOM 646 N LEU A 43 2.391 -5.310 -7.890 1.00 50.35 N ATOM 647 CA LEU A 43 3.731 -4.713 -7.778 1.00 62.43 C ATOM 648 C LEU A 43 3.892 -3.463 -8.664 1.00 61.54 C ATOM 649 O LEU A 43 4.410 -2.437 -8.213 1.00 65.44 O ATOM 650 CB LEU A 43 4.801 -5.757 -8.136 1.00 54.33 C ATOM 651 CG LEU A 43 4.868 -6.979 -7.202 1.00 63.40 C ATOM 652 CD1 LEU A 43 5.928 -7.970 -7.676 1.00 52.12 C ATOM 653 CD2 LEU A 43 5.140 -6.545 -5.762 1.00 41.40 C ATOM 0 H LEU A 43 2.389 -6.268 -8.240 1.00 50.35 H new ATOM 0 HA LEU A 43 3.860 -4.393 -6.744 1.00 62.43 H new ATOM 0 HB2 LEU A 43 4.618 -6.107 -9.152 1.00 54.33 H new ATOM 0 HB3 LEU A 43 5.775 -5.268 -8.138 1.00 54.33 H new ATOM 0 HG LEU A 43 3.900 -7.479 -7.231 1.00 63.40 H new ATOM 0 HD11 LEU A 43 5.956 -8.824 -7.000 1.00 52.12 H new ATOM 0 HD12 LEU A 43 5.683 -8.311 -8.682 1.00 52.12 H new ATOM 0 HD13 LEU A 43 6.903 -7.483 -7.685 1.00 52.12 H new ATOM 0 HD21 LEU A 43 5.183 -7.424 -5.119 1.00 41.40 H new ATOM 0 HD22 LEU A 43 6.091 -6.014 -5.715 1.00 41.40 H new ATOM 0 HD23 LEU A 43 4.340 -5.887 -5.423 1.00 41.40 H new ATOM 665 N GLU A 44 3.442 -3.549 -9.919 1.00 50.23 N ATOM 666 CA GLU A 44 3.554 -2.422 -10.859 1.00 43.02 C ATOM 667 C GLU A 44 2.726 -1.214 -10.391 1.00 43.20 C ATOM 668 O GLU A 44 3.134 -0.065 -10.559 1.00 32.12 O ATOM 669 CB GLU A 44 3.120 -2.845 -12.276 1.00 14.10 C ATOM 670 CG GLU A 44 1.640 -3.203 -12.403 1.00 33.41 C ATOM 671 CD GLU A 44 1.255 -3.636 -13.810 1.00 23.11 C ATOM 672 OE1 GLU A 44 1.126 -2.761 -14.693 1.00 63.51 O ATOM 673 OE2 GLU A 44 1.085 -4.851 -14.045 1.00 14.40 O ATOM 0 H GLU A 44 2.999 -4.381 -10.309 1.00 50.23 H new ATOM 0 HA GLU A 44 4.602 -2.124 -10.887 1.00 43.02 H new ATOM 0 HB2 GLU A 44 3.346 -2.035 -12.969 1.00 14.10 H new ATOM 0 HB3 GLU A 44 3.717 -3.704 -12.584 1.00 14.10 H new ATOM 0 HG2 GLU A 44 1.404 -4.005 -11.704 1.00 33.41 H new ATOM 0 HG3 GLU A 44 1.037 -2.342 -12.115 1.00 33.41 H new ATOM 680 N CYS A 45 1.561 -1.485 -9.798 1.00 62.44 N ATOM 681 CA CYS A 45 0.707 -0.425 -9.242 1.00 32.22 C ATOM 682 C CYS A 45 1.300 0.149 -7.947 1.00 11.53 C ATOM 683 O CYS A 45 1.209 1.348 -7.689 1.00 55.44 O ATOM 684 CB CYS A 45 -0.710 -0.951 -8.974 1.00 3.02 C ATOM 685 SG CYS A 45 -1.625 -1.423 -10.462 1.00 34.20 S ATOM 0 H CYS A 45 1.185 -2.427 -9.689 1.00 62.44 H new ATOM 0 HA CYS A 45 0.656 0.373 -9.982 1.00 32.22 H new ATOM 0 HB2 CYS A 45 -0.645 -1.815 -8.313 1.00 3.02 H new ATOM 0 HB3 CYS A 45 -1.275 -0.185 -8.443 1.00 3.02 H new ATOM 0 HG CYS A 45 -1.416 -2.680 -10.720 1.00 34.20 H new ATOM 691 N ALA A 46 1.912 -0.715 -7.140 1.00 73.11 N ATOM 692 CA ALA A 46 2.530 -0.297 -5.876 1.00 53.22 C ATOM 693 C ALA A 46 3.726 0.640 -6.110 1.00 61.20 C ATOM 694 O ALA A 46 3.900 1.631 -5.399 1.00 72.20 O ATOM 695 CB ALA A 46 2.960 -1.523 -5.076 1.00 54.02 C ATOM 0 H ALA A 46 1.995 -1.712 -7.337 1.00 73.11 H new ATOM 0 HA ALA A 46 1.786 0.260 -5.307 1.00 53.22 H new ATOM 0 HB1 ALA A 46 3.418 -1.204 -4.140 1.00 54.02 H new ATOM 0 HB2 ALA A 46 2.089 -2.142 -4.862 1.00 54.02 H new ATOM 0 HB3 ALA A 46 3.681 -2.100 -5.654 1.00 54.02 H new ATOM 701 N ASP A 47 4.545 0.327 -7.117 1.00 22.33 N ATOM 702 CA ASP A 47 5.722 1.145 -7.440 1.00 61.32 C ATOM 703 C ASP A 47 5.324 2.588 -7.805 1.00 4.44 C ATOM 704 O ASP A 47 6.080 3.534 -7.574 1.00 52.20 O ATOM 705 CB ASP A 47 6.513 0.508 -8.586 1.00 73.12 C ATOM 706 CG ASP A 47 7.812 1.245 -8.862 1.00 32.21 C ATOM 707 OD1 ASP A 47 8.779 1.059 -8.096 1.00 11.21 O ATOM 708 OD2 ASP A 47 7.872 2.022 -9.838 1.00 51.11 O ATOM 0 H ASP A 47 4.418 -0.484 -7.722 1.00 22.33 H new ATOM 0 HA ASP A 47 6.352 1.187 -6.552 1.00 61.32 H new ATOM 0 HB2 ASP A 47 6.731 -0.532 -8.341 1.00 73.12 H new ATOM 0 HB3 ASP A 47 5.902 0.501 -9.488 1.00 73.12 H new ATOM 713 N LEU A 48 4.128 2.749 -8.372 1.00 63.03 N ATOM 714 CA LEU A 48 3.591 4.082 -8.671 1.00 51.33 C ATOM 715 C LEU A 48 3.560 4.964 -7.416 1.00 15.02 C ATOM 716 O LEU A 48 3.838 6.159 -7.477 1.00 62.53 O ATOM 717 CB LEU A 48 2.178 3.974 -9.266 1.00 21.42 C ATOM 718 CG LEU A 48 2.105 3.380 -10.681 1.00 60.00 C ATOM 719 CD1 LEU A 48 0.653 3.218 -11.126 1.00 70.10 C ATOM 720 CD2 LEU A 48 2.876 4.257 -11.667 1.00 52.12 C ATOM 0 H LEU A 48 3.513 1.978 -8.633 1.00 63.03 H new ATOM 0 HA LEU A 48 4.252 4.547 -9.402 1.00 51.33 H new ATOM 0 HB2 LEU A 48 1.567 3.363 -8.601 1.00 21.42 H new ATOM 0 HB3 LEU A 48 1.732 4.968 -9.284 1.00 21.42 H new ATOM 0 HG LEU A 48 2.566 2.392 -10.663 1.00 60.00 H new ATOM 0 HD11 LEU A 48 0.625 2.796 -12.131 1.00 70.10 H new ATOM 0 HD12 LEU A 48 0.134 2.551 -10.438 1.00 70.10 H new ATOM 0 HD13 LEU A 48 0.162 4.191 -11.128 1.00 70.10 H new ATOM 0 HD21 LEU A 48 2.815 3.823 -12.665 1.00 52.12 H new ATOM 0 HD22 LEU A 48 2.443 5.257 -11.679 1.00 52.12 H new ATOM 0 HD23 LEU A 48 3.920 4.317 -11.361 1.00 52.12 H new ATOM 732 N LEU A 49 3.233 4.362 -6.276 1.00 65.34 N ATOM 733 CA LEU A 49 3.183 5.090 -5.004 1.00 41.44 C ATOM 734 C LEU A 49 4.589 5.479 -4.531 1.00 32.22 C ATOM 735 O LEU A 49 4.824 6.621 -4.147 1.00 51.40 O ATOM 736 CB LEU A 49 2.474 4.261 -3.917 1.00 55.23 C ATOM 737 CG LEU A 49 0.954 4.075 -4.093 1.00 71.00 C ATOM 738 CD1 LEU A 49 0.634 3.258 -5.340 1.00 2.00 C ATOM 739 CD2 LEU A 49 0.346 3.424 -2.854 1.00 55.12 C ATOM 0 H LEU A 49 2.998 3.372 -6.203 1.00 65.34 H new ATOM 0 HA LEU A 49 2.611 6.002 -5.175 1.00 41.44 H new ATOM 0 HB2 LEU A 49 2.939 3.276 -3.879 1.00 55.23 H new ATOM 0 HB3 LEU A 49 2.653 4.735 -2.952 1.00 55.23 H new ATOM 0 HG LEU A 49 0.511 5.063 -4.220 1.00 71.00 H new ATOM 0 HD11 LEU A 49 -0.446 3.146 -5.434 1.00 2.00 H new ATOM 0 HD12 LEU A 49 1.024 3.770 -6.220 1.00 2.00 H new ATOM 0 HD13 LEU A 49 1.095 2.274 -5.258 1.00 2.00 H new ATOM 0 HD21 LEU A 49 -0.728 3.301 -2.997 1.00 55.12 H new ATOM 0 HD22 LEU A 49 0.805 2.448 -2.693 1.00 55.12 H new ATOM 0 HD23 LEU A 49 0.526 4.057 -1.985 1.00 55.12 H new ATOM 751 N SER A 50 5.527 4.532 -4.575 1.00 71.32 N ATOM 752 CA SER A 50 6.909 4.796 -4.140 1.00 40.44 C ATOM 753 C SER A 50 7.552 5.894 -4.999 1.00 43.52 C ATOM 754 O SER A 50 8.271 6.758 -4.491 1.00 60.32 O ATOM 755 CB SER A 50 7.761 3.518 -4.201 1.00 2.24 C ATOM 756 OG SER A 50 7.930 3.073 -5.535 1.00 0.34 O ATOM 0 H SER A 50 5.362 3.581 -4.904 1.00 71.32 H new ATOM 0 HA SER A 50 6.869 5.138 -3.106 1.00 40.44 H new ATOM 0 HB2 SER A 50 8.736 3.707 -3.753 1.00 2.24 H new ATOM 0 HB3 SER A 50 7.286 2.734 -3.612 1.00 2.24 H new ATOM 0 HG SER A 50 7.136 3.305 -6.060 1.00 0.34 H new ATOM 762 N SER A 51 7.287 5.863 -6.305 1.00 44.25 N ATOM 763 CA SER A 51 7.768 6.911 -7.213 1.00 10.14 C ATOM 764 C SER A 51 7.060 8.246 -6.941 1.00 35.22 C ATOM 765 O SER A 51 7.707 9.278 -6.775 1.00 33.41 O ATOM 766 CB SER A 51 7.545 6.508 -8.677 1.00 4.23 C ATOM 767 OG SER A 51 8.000 7.522 -9.566 1.00 70.40 O ATOM 0 H SER A 51 6.745 5.128 -6.759 1.00 44.25 H new ATOM 0 HA SER A 51 8.836 7.033 -7.032 1.00 10.14 H new ATOM 0 HB2 SER A 51 8.071 5.576 -8.884 1.00 4.23 H new ATOM 0 HB3 SER A 51 6.485 6.320 -8.848 1.00 4.23 H new ATOM 0 HG SER A 51 7.401 8.296 -9.514 1.00 70.40 H new ATOM 773 N ALA A 52 5.729 8.211 -6.864 1.00 63.13 N ATOM 774 CA ALA A 52 4.926 9.427 -6.676 1.00 73.15 C ATOM 775 C ALA A 52 5.258 10.145 -5.356 1.00 72.23 C ATOM 776 O ALA A 52 5.346 11.369 -5.312 1.00 12.31 O ATOM 777 CB ALA A 52 3.439 9.091 -6.743 1.00 70.40 C ATOM 0 H ALA A 52 5.180 7.354 -6.929 1.00 63.13 H new ATOM 0 HA ALA A 52 5.176 10.113 -7.485 1.00 73.15 H new ATOM 0 HB1 ALA A 52 2.854 10.000 -6.602 1.00 70.40 H new ATOM 0 HB2 ALA A 52 3.207 8.657 -7.716 1.00 70.40 H new ATOM 0 HB3 ALA A 52 3.192 8.375 -5.959 1.00 70.40 H new ATOM 783 N LEU A 53 5.454 9.378 -4.291 1.00 73.12 N ATOM 784 CA LEU A 53 5.768 9.947 -2.974 1.00 51.41 C ATOM 785 C LEU A 53 7.166 10.596 -2.931 1.00 73.12 C ATOM 786 O LEU A 53 7.425 11.469 -2.101 1.00 23.44 O ATOM 787 CB LEU A 53 5.652 8.861 -1.897 1.00 53.40 C ATOM 788 CG LEU A 53 4.224 8.342 -1.651 1.00 62.24 C ATOM 789 CD1 LEU A 53 4.242 7.084 -0.793 1.00 71.41 C ATOM 790 CD2 LEU A 53 3.368 9.421 -0.992 1.00 73.34 C ATOM 0 H LEU A 53 5.402 8.359 -4.307 1.00 73.12 H new ATOM 0 HA LEU A 53 5.044 10.738 -2.778 1.00 51.41 H new ATOM 0 HB2 LEU A 53 6.285 8.020 -2.180 1.00 53.40 H new ATOM 0 HB3 LEU A 53 6.046 9.255 -0.960 1.00 53.40 H new ATOM 0 HG LEU A 53 3.786 8.090 -2.617 1.00 62.24 H new ATOM 0 HD11 LEU A 53 3.221 6.738 -0.634 1.00 71.41 H new ATOM 0 HD12 LEU A 53 4.814 6.307 -1.299 1.00 71.41 H new ATOM 0 HD13 LEU A 53 4.704 7.306 0.169 1.00 71.41 H new ATOM 0 HD21 LEU A 53 2.362 9.036 -0.826 1.00 73.34 H new ATOM 0 HD22 LEU A 53 3.811 9.704 -0.037 1.00 73.34 H new ATOM 0 HD23 LEU A 53 3.319 10.294 -1.642 1.00 73.34 H new ATOM 802 N THR A 54 8.062 10.170 -3.827 1.00 13.40 N ATOM 803 CA THR A 54 9.427 10.727 -3.884 1.00 42.51 C ATOM 804 C THR A 54 9.533 11.885 -4.890 1.00 12.11 C ATOM 805 O THR A 54 10.585 12.518 -5.016 1.00 55.04 O ATOM 806 CB THR A 54 10.486 9.645 -4.232 1.00 5.05 C ATOM 807 OG1 THR A 54 10.197 9.044 -5.506 1.00 71.04 O ATOM 808 CG2 THR A 54 10.536 8.562 -3.157 1.00 44.32 C ATOM 0 H THR A 54 7.873 9.446 -4.521 1.00 13.40 H new ATOM 0 HA THR A 54 9.635 11.109 -2.885 1.00 42.51 H new ATOM 0 HB THR A 54 11.457 10.137 -4.280 1.00 5.05 H new ATOM 0 HG1 THR A 54 9.322 9.352 -5.822 1.00 71.04 H new ATOM 0 HG21 THR A 54 11.285 7.817 -3.425 1.00 44.32 H new ATOM 0 HG22 THR A 54 10.798 9.012 -2.199 1.00 44.32 H new ATOM 0 HG23 THR A 54 9.560 8.083 -3.078 1.00 44.32 H new ATOM 816 N GLU A 55 8.444 12.159 -5.605 1.00 31.11 N ATOM 817 CA GLU A 55 8.372 13.299 -6.531 1.00 50.03 C ATOM 818 C GLU A 55 7.195 14.220 -6.146 1.00 2.24 C ATOM 819 O GLU A 55 6.372 13.852 -5.306 1.00 3.04 O ATOM 820 CB GLU A 55 8.222 12.792 -7.981 1.00 31.13 C ATOM 821 CG GLU A 55 6.923 12.036 -8.249 1.00 24.42 C ATOM 822 CD GLU A 55 6.817 11.526 -9.681 1.00 12.02 C ATOM 823 OE1 GLU A 55 6.394 12.304 -10.566 1.00 32.42 O ATOM 824 OE2 GLU A 55 7.156 10.349 -9.935 1.00 51.30 O ATOM 0 H GLU A 55 7.589 11.604 -5.563 1.00 31.11 H new ATOM 0 HA GLU A 55 9.294 13.876 -6.462 1.00 50.03 H new ATOM 0 HB2 GLU A 55 8.280 13.643 -8.659 1.00 31.13 H new ATOM 0 HB3 GLU A 55 9.064 12.140 -8.215 1.00 31.13 H new ATOM 0 HG2 GLU A 55 6.851 11.193 -7.562 1.00 24.42 H new ATOM 0 HG3 GLU A 55 6.078 12.691 -8.039 1.00 24.42 H new ATOM 831 N PRO A 56 7.102 15.449 -6.700 1.00 41.02 N ATOM 832 CA PRO A 56 5.955 16.320 -6.405 1.00 70.31 C ATOM 833 C PRO A 56 4.677 15.884 -7.148 1.00 30.03 C ATOM 834 O PRO A 56 4.636 15.851 -8.382 1.00 11.13 O ATOM 835 CB PRO A 56 6.437 17.690 -6.901 1.00 65.14 C ATOM 836 CG PRO A 56 7.413 17.380 -7.991 1.00 12.22 C ATOM 837 CD PRO A 56 8.087 16.091 -7.595 1.00 3.53 C ATOM 0 HA PRO A 56 5.677 16.302 -5.351 1.00 70.31 H new ATOM 0 HB2 PRO A 56 5.607 18.291 -7.272 1.00 65.14 H new ATOM 0 HB3 PRO A 56 6.907 18.258 -6.099 1.00 65.14 H new ATOM 0 HG2 PRO A 56 6.906 17.276 -8.950 1.00 12.22 H new ATOM 0 HG3 PRO A 56 8.142 18.183 -8.101 1.00 12.22 H new ATOM 0 HD2 PRO A 56 8.306 15.469 -8.463 1.00 3.53 H new ATOM 0 HD3 PRO A 56 9.034 16.273 -7.086 1.00 3.53 H new ATOM 845 N VAL A 57 3.636 15.561 -6.382 1.00 72.33 N ATOM 846 CA VAL A 57 2.328 15.174 -6.929 1.00 11.24 C ATOM 847 C VAL A 57 1.180 15.697 -6.044 1.00 54.11 C ATOM 848 O VAL A 57 1.375 15.930 -4.848 1.00 3.10 O ATOM 849 CB VAL A 57 2.198 13.632 -7.066 1.00 21.04 C ATOM 850 CG1 VAL A 57 3.074 13.094 -8.197 1.00 43.21 C ATOM 851 CG2 VAL A 57 2.550 12.950 -5.750 1.00 71.22 C ATOM 0 H VAL A 57 3.672 15.559 -5.363 1.00 72.33 H new ATOM 0 HA VAL A 57 2.257 15.624 -7.919 1.00 11.24 H new ATOM 0 HB VAL A 57 1.161 13.407 -7.314 1.00 21.04 H new ATOM 0 HG11 VAL A 57 2.958 12.012 -8.264 1.00 43.21 H new ATOM 0 HG12 VAL A 57 2.772 13.550 -9.140 1.00 43.21 H new ATOM 0 HG13 VAL A 57 4.118 13.335 -7.995 1.00 43.21 H new ATOM 0 HG21 VAL A 57 2.454 11.870 -5.863 1.00 71.22 H new ATOM 0 HG22 VAL A 57 3.576 13.196 -5.475 1.00 71.22 H new ATOM 0 HG23 VAL A 57 1.873 13.295 -4.969 1.00 71.22 H new ATOM 861 N PRO A 58 -0.032 15.892 -6.607 1.00 50.14 N ATOM 862 CA PRO A 58 -1.209 16.303 -5.817 1.00 51.41 C ATOM 863 C PRO A 58 -1.634 15.233 -4.788 1.00 10.41 C ATOM 864 O PRO A 58 -1.708 14.041 -5.104 1.00 15.21 O ATOM 865 CB PRO A 58 -2.303 16.517 -6.879 1.00 30.04 C ATOM 866 CG PRO A 58 -1.856 15.727 -8.064 1.00 53.04 C ATOM 867 CD PRO A 58 -0.350 15.753 -8.041 1.00 75.20 C ATOM 0 HA PRO A 58 -1.008 17.193 -5.220 1.00 51.41 H new ATOM 0 HB2 PRO A 58 -3.273 16.174 -6.520 1.00 30.04 H new ATOM 0 HB3 PRO A 58 -2.410 17.573 -7.127 1.00 30.04 H new ATOM 0 HG2 PRO A 58 -2.229 14.704 -8.013 1.00 53.04 H new ATOM 0 HG3 PRO A 58 -2.239 16.160 -8.988 1.00 53.04 H new ATOM 0 HD2 PRO A 58 0.074 14.840 -8.460 1.00 75.20 H new ATOM 0 HD3 PRO A 58 0.046 16.585 -8.623 1.00 75.20 H new ATOM 875 N ASN A 59 -1.929 15.668 -3.558 1.00 43.02 N ATOM 876 CA ASN A 59 -2.284 14.746 -2.467 1.00 42.31 C ATOM 877 C ASN A 59 -3.497 13.863 -2.819 1.00 2.43 C ATOM 878 O ASN A 59 -3.533 12.678 -2.476 1.00 0.25 O ATOM 879 CB ASN A 59 -2.554 15.521 -1.169 1.00 75.02 C ATOM 880 CG ASN A 59 -1.326 16.256 -0.642 1.00 21.52 C ATOM 881 OD1 ASN A 59 -1.437 17.285 0.013 1.00 62.25 O ATOM 882 ND2 ASN A 59 -0.142 15.731 -0.906 1.00 50.00 N ATOM 0 H ASN A 59 -1.930 16.652 -3.290 1.00 43.02 H new ATOM 0 HA ASN A 59 -1.430 14.085 -2.320 1.00 42.31 H new ATOM 0 HB2 ASN A 59 -3.354 16.241 -1.343 1.00 75.02 H new ATOM 0 HB3 ASN A 59 -2.910 14.828 -0.407 1.00 75.02 H new ATOM 0 HD21 ASN A 59 0.705 16.184 -0.562 1.00 50.00 H new ATOM 0 HD22 ASN A 59 -0.075 14.873 -1.454 1.00 50.00 H new ATOM 889 N SER A 60 -4.481 14.440 -3.509 1.00 73.33 N ATOM 890 CA SER A 60 -5.669 13.689 -3.947 1.00 2.40 C ATOM 891 C SER A 60 -5.279 12.502 -4.837 1.00 32.43 C ATOM 892 O SER A 60 -5.885 11.429 -4.762 1.00 20.34 O ATOM 893 CB SER A 60 -6.646 14.605 -4.703 1.00 22.21 C ATOM 894 OG SER A 60 -7.109 15.663 -3.874 1.00 53.15 O ATOM 0 H SER A 60 -4.484 15.424 -3.779 1.00 73.33 H new ATOM 0 HA SER A 60 -6.161 13.306 -3.053 1.00 2.40 H new ATOM 0 HB2 SER A 60 -6.153 15.019 -5.583 1.00 22.21 H new ATOM 0 HB3 SER A 60 -7.495 14.021 -5.058 1.00 22.21 H new ATOM 0 HG SER A 60 -7.727 16.230 -4.381 1.00 53.15 H new ATOM 900 N GLN A 61 -4.257 12.702 -5.669 1.00 4.33 N ATOM 901 CA GLN A 61 -3.738 11.641 -6.539 1.00 41.43 C ATOM 902 C GLN A 61 -3.123 10.514 -5.699 1.00 31.43 C ATOM 903 O GLN A 61 -3.383 9.339 -5.941 1.00 20.01 O ATOM 904 CB GLN A 61 -2.705 12.232 -7.522 1.00 4.20 C ATOM 905 CG GLN A 61 -2.043 11.223 -8.473 1.00 13.23 C ATOM 906 CD GLN A 61 -0.860 10.488 -7.849 1.00 21.20 C ATOM 907 OE1 GLN A 61 -0.188 11.004 -6.965 1.00 60.32 O ATOM 908 NE2 GLN A 61 -0.588 9.284 -8.315 1.00 53.15 N ATOM 0 H GLN A 61 -3.769 13.593 -5.761 1.00 4.33 H new ATOM 0 HA GLN A 61 -4.559 11.215 -7.116 1.00 41.43 H new ATOM 0 HB2 GLN A 61 -3.196 13.000 -8.120 1.00 4.20 H new ATOM 0 HB3 GLN A 61 -1.924 12.728 -6.946 1.00 4.20 H new ATOM 0 HG2 GLN A 61 -2.787 10.493 -8.792 1.00 13.23 H new ATOM 0 HG3 GLN A 61 -1.705 11.746 -9.368 1.00 13.23 H new ATOM 0 HE21 GLN A 61 -1.166 8.880 -9.052 1.00 53.15 H new ATOM 0 HE22 GLN A 61 0.200 8.757 -7.938 1.00 53.15 H new ATOM 917 N LEU A 62 -2.313 10.884 -4.709 1.00 41.42 N ATOM 918 CA LEU A 62 -1.699 9.907 -3.796 1.00 0.53 C ATOM 919 C LEU A 62 -2.753 9.042 -3.081 1.00 63.10 C ATOM 920 O LEU A 62 -2.666 7.812 -3.082 1.00 1.35 O ATOM 921 CB LEU A 62 -0.833 10.633 -2.758 1.00 72.53 C ATOM 922 CG LEU A 62 0.426 11.304 -3.325 1.00 73.52 C ATOM 923 CD1 LEU A 62 1.130 12.133 -2.254 1.00 2.12 C ATOM 924 CD2 LEU A 62 1.370 10.254 -3.909 1.00 44.22 C ATOM 0 H LEU A 62 -2.063 11.853 -4.514 1.00 41.42 H new ATOM 0 HA LEU A 62 -1.078 9.243 -4.397 1.00 0.53 H new ATOM 0 HB2 LEU A 62 -1.441 11.392 -2.265 1.00 72.53 H new ATOM 0 HB3 LEU A 62 -0.533 9.918 -1.992 1.00 72.53 H new ATOM 0 HG LEU A 62 0.125 11.980 -4.126 1.00 73.52 H new ATOM 0 HD11 LEU A 62 2.019 12.598 -2.680 1.00 2.12 H new ATOM 0 HD12 LEU A 62 0.454 12.907 -1.890 1.00 2.12 H new ATOM 0 HD13 LEU A 62 1.420 11.486 -1.426 1.00 2.12 H new ATOM 0 HD21 LEU A 62 2.258 10.745 -4.307 1.00 44.22 H new ATOM 0 HD22 LEU A 62 1.662 9.553 -3.127 1.00 44.22 H new ATOM 0 HD23 LEU A 62 0.864 9.715 -4.710 1.00 44.22 H new ATOM 936 N VAL A 63 -3.745 9.694 -2.477 1.00 14.23 N ATOM 937 CA VAL A 63 -4.805 8.990 -1.746 1.00 52.55 C ATOM 938 C VAL A 63 -5.586 8.034 -2.662 1.00 25.14 C ATOM 939 O VAL A 63 -5.850 6.887 -2.303 1.00 41.13 O ATOM 940 CB VAL A 63 -5.794 9.987 -1.084 1.00 55.45 C ATOM 941 CG1 VAL A 63 -6.901 9.246 -0.329 1.00 63.00 C ATOM 942 CG2 VAL A 63 -5.053 10.948 -0.153 1.00 43.04 C ATOM 0 H VAL A 63 -3.840 10.710 -2.478 1.00 14.23 H new ATOM 0 HA VAL A 63 -4.312 8.407 -0.968 1.00 52.55 H new ATOM 0 HB VAL A 63 -6.262 10.571 -1.877 1.00 55.45 H new ATOM 0 HG11 VAL A 63 -7.579 9.969 0.125 1.00 63.00 H new ATOM 0 HG12 VAL A 63 -7.455 8.615 -1.023 1.00 63.00 H new ATOM 0 HG13 VAL A 63 -6.458 8.626 0.450 1.00 63.00 H new ATOM 0 HG21 VAL A 63 -5.765 11.638 0.300 1.00 43.04 H new ATOM 0 HG22 VAL A 63 -4.549 10.381 0.630 1.00 43.04 H new ATOM 0 HG23 VAL A 63 -4.315 11.512 -0.724 1.00 43.04 H new ATOM 952 N ASP A 64 -5.940 8.505 -3.854 1.00 61.31 N ATOM 953 CA ASP A 64 -6.723 7.702 -4.796 1.00 1.12 C ATOM 954 C ASP A 64 -5.886 6.547 -5.382 1.00 10.30 C ATOM 955 O ASP A 64 -6.342 5.404 -5.450 1.00 33.02 O ATOM 956 CB ASP A 64 -7.264 8.598 -5.914 1.00 23.04 C ATOM 957 CG ASP A 64 -8.375 7.929 -6.697 1.00 63.20 C ATOM 958 OD1 ASP A 64 -9.478 7.755 -6.132 1.00 3.11 O ATOM 959 OD2 ASP A 64 -8.164 7.590 -7.879 1.00 73.02 O ATOM 0 H ASP A 64 -5.699 9.436 -4.193 1.00 61.31 H new ATOM 0 HA ASP A 64 -7.560 7.258 -4.257 1.00 1.12 H new ATOM 0 HB2 ASP A 64 -7.634 9.529 -5.484 1.00 23.04 H new ATOM 0 HB3 ASP A 64 -6.452 8.861 -6.592 1.00 23.04 H new ATOM 964 N THR A 65 -4.656 6.861 -5.792 1.00 34.24 N ATOM 965 CA THR A 65 -3.716 5.850 -6.302 1.00 43.51 C ATOM 966 C THR A 65 -3.390 4.808 -5.222 1.00 1.43 C ATOM 967 O THR A 65 -3.108 3.648 -5.524 1.00 33.34 O ATOM 968 CB THR A 65 -2.399 6.501 -6.808 1.00 72.41 C ATOM 969 OG1 THR A 65 -2.688 7.460 -7.836 1.00 3.52 O ATOM 970 CG2 THR A 65 -1.429 5.458 -7.360 1.00 13.41 C ATOM 0 H THR A 65 -4.282 7.810 -5.782 1.00 34.24 H new ATOM 0 HA THR A 65 -4.204 5.355 -7.141 1.00 43.51 H new ATOM 0 HB THR A 65 -1.930 6.992 -5.956 1.00 72.41 H new ATOM 0 HG1 THR A 65 -3.001 8.294 -7.427 1.00 3.52 H new ATOM 0 HG21 THR A 65 -0.520 5.952 -7.704 1.00 13.41 H new ATOM 0 HG22 THR A 65 -1.179 4.743 -6.576 1.00 13.41 H new ATOM 0 HG23 THR A 65 -1.895 4.934 -8.194 1.00 13.41 H new ATOM 978 N GLY A 66 -3.415 5.236 -3.961 1.00 70.25 N ATOM 979 CA GLY A 66 -3.275 4.305 -2.847 1.00 1.05 C ATOM 980 C GLY A 66 -4.543 3.490 -2.598 1.00 41.24 C ATOM 981 O GLY A 66 -4.474 2.312 -2.247 1.00 43.14 O ATOM 0 H GLY A 66 -3.530 6.212 -3.688 1.00 70.25 H new ATOM 0 HA2 GLY A 66 -2.445 3.627 -3.047 1.00 1.05 H new ATOM 0 HA3 GLY A 66 -3.022 4.860 -1.944 1.00 1.05 H new ATOM 985 N HIS A 67 -5.701 4.120 -2.794 1.00 62.33 N ATOM 986 CA HIS A 67 -7.000 3.464 -2.583 1.00 73.14 C ATOM 987 C HIS A 67 -7.141 2.186 -3.423 1.00 34.05 C ATOM 988 O HIS A 67 -7.642 1.168 -2.939 1.00 30.13 O ATOM 989 CB HIS A 67 -8.140 4.430 -2.920 1.00 73.34 C ATOM 990 CG HIS A 67 -9.503 3.856 -2.668 1.00 44.23 C ATOM 991 ND1 HIS A 67 -10.259 3.248 -3.647 1.00 25.21 N ATOM 992 CD2 HIS A 67 -10.239 3.785 -1.534 1.00 62.24 C ATOM 993 CE1 HIS A 67 -11.395 2.830 -3.131 1.00 53.41 C ATOM 994 NE2 HIS A 67 -11.410 3.141 -1.853 1.00 1.24 N ATOM 0 H HIS A 67 -5.770 5.090 -3.101 1.00 62.33 H new ATOM 0 HA HIS A 67 -7.055 3.182 -1.532 1.00 73.14 H new ATOM 0 HB2 HIS A 67 -8.022 5.339 -2.330 1.00 73.34 H new ATOM 0 HB3 HIS A 67 -8.064 4.718 -3.968 1.00 73.34 H new ATOM 0 HD2 HIS A 67 -9.959 4.163 -0.562 1.00 62.24 H new ATOM 0 HE1 HIS A 67 -12.181 2.318 -3.666 1.00 53.41 H new ATOM 0 HE2 HIS A 67 -12.169 2.937 -1.203 1.00 1.24 H new ATOM 1003 N GLN A 68 -6.705 2.242 -4.683 1.00 4.34 N ATOM 1004 CA GLN A 68 -6.782 1.073 -5.572 1.00 13.55 C ATOM 1005 C GLN A 68 -5.966 -0.106 -5.014 1.00 15.22 C ATOM 1006 O GLN A 68 -6.348 -1.268 -5.174 1.00 42.12 O ATOM 1007 CB GLN A 68 -6.295 1.425 -6.984 1.00 33.31 C ATOM 1008 CG GLN A 68 -4.811 1.753 -7.056 1.00 23.40 C ATOM 1009 CD GLN A 68 -4.341 2.111 -8.453 1.00 11.33 C ATOM 1010 OE1 GLN A 68 -4.882 1.640 -9.449 1.00 23.04 O ATOM 1011 NE2 GLN A 68 -3.320 2.936 -8.538 1.00 41.44 N ATOM 0 H GLN A 68 -6.298 3.074 -5.111 1.00 4.34 H new ATOM 0 HA GLN A 68 -7.828 0.773 -5.627 1.00 13.55 H new ATOM 0 HB2 GLN A 68 -6.506 0.589 -7.650 1.00 33.31 H new ATOM 0 HB3 GLN A 68 -6.865 2.278 -7.353 1.00 33.31 H new ATOM 0 HG2 GLN A 68 -4.597 2.584 -6.384 1.00 23.40 H new ATOM 0 HG3 GLN A 68 -4.239 0.897 -6.696 1.00 23.40 H new ATOM 0 HE21 GLN A 68 -2.894 3.309 -7.690 1.00 41.44 H new ATOM 0 HE22 GLN A 68 -2.955 3.203 -9.452 1.00 41.44 H new ATOM 1020 N LEU A 69 -4.844 0.198 -4.352 1.00 34.12 N ATOM 1021 CA LEU A 69 -4.000 -0.834 -3.736 1.00 24.13 C ATOM 1022 C LEU A 69 -4.778 -1.641 -2.690 1.00 2.25 C ATOM 1023 O LEU A 69 -4.485 -2.811 -2.464 1.00 41.13 O ATOM 1024 CB LEU A 69 -2.739 -0.213 -3.111 1.00 43.31 C ATOM 1025 CG LEU A 69 -1.519 -0.110 -4.048 1.00 72.21 C ATOM 1026 CD1 LEU A 69 -1.029 -1.501 -4.453 1.00 62.23 C ATOM 1027 CD2 LEU A 69 -1.849 0.723 -5.284 1.00 2.30 C ATOM 0 H LEU A 69 -4.499 1.150 -4.229 1.00 34.12 H new ATOM 0 HA LEU A 69 -3.690 -1.519 -4.526 1.00 24.13 H new ATOM 0 HB2 LEU A 69 -2.986 0.786 -2.753 1.00 43.31 H new ATOM 0 HB3 LEU A 69 -2.457 -0.804 -2.239 1.00 43.31 H new ATOM 0 HG LEU A 69 -0.719 0.392 -3.504 1.00 72.21 H new ATOM 0 HD11 LEU A 69 -0.168 -1.405 -5.114 1.00 62.23 H new ATOM 0 HD12 LEU A 69 -0.742 -2.059 -3.562 1.00 62.23 H new ATOM 0 HD13 LEU A 69 -1.827 -2.031 -4.972 1.00 62.23 H new ATOM 0 HD21 LEU A 69 -0.972 0.780 -5.929 1.00 2.30 H new ATOM 0 HD22 LEU A 69 -2.670 0.257 -5.829 1.00 2.30 H new ATOM 0 HD23 LEU A 69 -2.141 1.728 -4.978 1.00 2.30 H new ATOM 1039 N LEU A 70 -5.767 -1.015 -2.056 1.00 2.23 N ATOM 1040 CA LEU A 70 -6.655 -1.728 -1.130 1.00 62.33 C ATOM 1041 C LEU A 70 -7.470 -2.801 -1.869 1.00 43.42 C ATOM 1042 O LEU A 70 -7.685 -3.892 -1.348 1.00 73.11 O ATOM 1043 CB LEU A 70 -7.595 -0.749 -0.403 1.00 1.33 C ATOM 1044 CG LEU A 70 -7.006 -0.057 0.843 1.00 40.22 C ATOM 1045 CD1 LEU A 70 -6.718 -1.080 1.938 1.00 73.41 C ATOM 1046 CD2 LEU A 70 -5.738 0.725 0.494 1.00 23.13 C ATOM 0 H LEU A 70 -5.976 -0.022 -2.163 1.00 2.23 H new ATOM 0 HA LEU A 70 -6.031 -2.221 -0.385 1.00 62.33 H new ATOM 0 HB2 LEU A 70 -7.906 0.020 -1.110 1.00 1.33 H new ATOM 0 HB3 LEU A 70 -8.493 -1.290 -0.105 1.00 1.33 H new ATOM 0 HG LEU A 70 -7.747 0.652 1.214 1.00 40.22 H new ATOM 0 HD11 LEU A 70 -6.303 -0.573 2.809 1.00 73.41 H new ATOM 0 HD12 LEU A 70 -7.643 -1.584 2.218 1.00 73.41 H new ATOM 0 HD13 LEU A 70 -6.002 -1.815 1.570 1.00 73.41 H new ATOM 0 HD21 LEU A 70 -5.346 1.202 1.392 1.00 23.13 H new ATOM 0 HD22 LEU A 70 -4.990 0.043 0.089 1.00 23.13 H new ATOM 0 HD23 LEU A 70 -5.974 1.488 -0.248 1.00 23.13 H new ATOM 1058 N ASP A 71 -7.901 -2.487 -3.089 1.00 34.21 N ATOM 1059 CA ASP A 71 -8.649 -3.437 -3.919 1.00 25.20 C ATOM 1060 C ASP A 71 -7.745 -4.615 -4.340 1.00 74.42 C ATOM 1061 O ASP A 71 -8.086 -5.789 -4.138 1.00 13.50 O ATOM 1062 CB ASP A 71 -9.201 -2.709 -5.154 1.00 41.01 C ATOM 1063 CG ASP A 71 -10.270 -3.505 -5.883 1.00 71.11 C ATOM 1064 OD1 ASP A 71 -9.920 -4.443 -6.630 1.00 41.01 O ATOM 1065 OD2 ASP A 71 -11.468 -3.185 -5.724 1.00 3.10 O ATOM 0 H ASP A 71 -7.746 -1.580 -3.528 1.00 34.21 H new ATOM 0 HA ASP A 71 -9.481 -3.842 -3.342 1.00 25.20 H new ATOM 0 HB2 ASP A 71 -9.616 -1.749 -4.848 1.00 41.01 H new ATOM 0 HB3 ASP A 71 -8.381 -2.497 -5.841 1.00 41.01 H new ATOM 1070 N TYR A 72 -6.582 -4.285 -4.913 1.00 41.51 N ATOM 1071 CA TYR A 72 -5.584 -5.295 -5.291 1.00 14.51 C ATOM 1072 C TYR A 72 -5.197 -6.174 -4.089 1.00 31.15 C ATOM 1073 O TYR A 72 -5.228 -7.402 -4.165 1.00 45.11 O ATOM 1074 CB TYR A 72 -4.322 -4.626 -5.870 1.00 4.34 C ATOM 1075 CG TYR A 72 -4.548 -3.914 -7.193 1.00 4.10 C ATOM 1076 CD1 TYR A 72 -4.659 -4.632 -8.380 1.00 51.30 C ATOM 1077 CD2 TYR A 72 -4.646 -2.529 -7.258 1.00 53.43 C ATOM 1078 CE1 TYR A 72 -4.867 -3.991 -9.587 1.00 34.31 C ATOM 1079 CE2 TYR A 72 -4.854 -1.881 -8.462 1.00 42.04 C ATOM 1080 CZ TYR A 72 -4.961 -2.615 -9.622 1.00 4.41 C ATOM 1081 OH TYR A 72 -5.171 -1.972 -10.823 1.00 63.33 O ATOM 0 H TYR A 72 -6.308 -3.326 -5.126 1.00 41.51 H new ATOM 0 HA TYR A 72 -6.035 -5.929 -6.055 1.00 14.51 H new ATOM 0 HB2 TYR A 72 -3.939 -3.908 -5.144 1.00 4.34 H new ATOM 0 HB3 TYR A 72 -3.551 -5.385 -6.005 1.00 4.34 H new ATOM 0 HD1 TYR A 72 -4.581 -5.709 -8.358 1.00 51.30 H new ATOM 0 HD2 TYR A 72 -4.558 -1.948 -6.352 1.00 53.43 H new ATOM 0 HE1 TYR A 72 -4.955 -4.564 -10.498 1.00 34.31 H new ATOM 0 HE2 TYR A 72 -4.932 -0.804 -8.492 1.00 42.04 H new ATOM 0 HH TYR A 72 -4.324 -1.604 -11.149 1.00 63.33 H new ATOM 1091 N CYS A 73 -4.845 -5.533 -2.977 1.00 1.10 N ATOM 1092 CA CYS A 73 -4.456 -6.244 -1.752 1.00 3.23 C ATOM 1093 C CYS A 73 -5.606 -7.092 -1.196 1.00 34.21 C ATOM 1094 O CYS A 73 -5.398 -8.229 -0.777 1.00 62.32 O ATOM 1095 CB CYS A 73 -3.984 -5.253 -0.683 1.00 40.21 C ATOM 1096 SG CYS A 73 -2.457 -4.377 -1.108 1.00 71.35 S ATOM 0 H CYS A 73 -4.820 -4.517 -2.895 1.00 1.10 H new ATOM 0 HA CYS A 73 -3.637 -6.914 -2.014 1.00 3.23 H new ATOM 0 HB2 CYS A 73 -4.773 -4.522 -0.508 1.00 40.21 H new ATOM 0 HB3 CYS A 73 -3.833 -5.790 0.253 1.00 40.21 H new ATOM 0 HG CYS A 73 -2.738 -3.357 -1.863 1.00 71.35 H new ATOM 1102 N SER A 74 -6.818 -6.535 -1.205 1.00 72.42 N ATOM 1103 CA SER A 74 -8.013 -7.243 -0.711 1.00 62.22 C ATOM 1104 C SER A 74 -8.180 -8.603 -1.400 1.00 22.40 C ATOM 1105 O SER A 74 -8.648 -9.567 -0.791 1.00 45.32 O ATOM 1106 CB SER A 74 -9.272 -6.390 -0.929 1.00 52.12 C ATOM 1107 OG SER A 74 -10.453 -7.042 -0.466 1.00 22.41 O ATOM 0 H SER A 74 -7.004 -5.593 -1.549 1.00 72.42 H new ATOM 0 HA SER A 74 -7.877 -7.414 0.357 1.00 62.22 H new ATOM 0 HB2 SER A 74 -9.158 -5.438 -0.410 1.00 52.12 H new ATOM 0 HB3 SER A 74 -9.376 -6.164 -1.990 1.00 52.12 H new ATOM 0 HG SER A 74 -11.229 -6.464 -0.623 1.00 22.41 H new ATOM 1113 N GLY A 75 -7.799 -8.671 -2.674 1.00 43.13 N ATOM 1114 CA GLY A 75 -7.838 -9.936 -3.399 1.00 10.35 C ATOM 1115 C GLY A 75 -6.566 -10.768 -3.220 1.00 74.35 C ATOM 1116 O GLY A 75 -6.627 -11.941 -2.845 1.00 53.31 O ATOM 0 H GLY A 75 -7.464 -7.876 -3.218 1.00 43.13 H new ATOM 0 HA2 GLY A 75 -8.696 -10.517 -3.060 1.00 10.35 H new ATOM 0 HA3 GLY A 75 -7.988 -9.736 -4.460 1.00 10.35 H new ATOM 1120 N TYR A 76 -5.410 -10.152 -3.463 1.00 74.13 N ATOM 1121 CA TYR A 76 -4.122 -10.861 -3.440 1.00 60.15 C ATOM 1122 C TYR A 76 -3.829 -11.513 -2.075 1.00 74.03 C ATOM 1123 O TYR A 76 -3.263 -12.607 -2.014 1.00 45.44 O ATOM 1124 CB TYR A 76 -2.988 -9.900 -3.816 1.00 55.25 C ATOM 1125 CG TYR A 76 -1.651 -10.586 -4.056 1.00 21.40 C ATOM 1126 CD1 TYR A 76 -1.405 -11.268 -5.247 1.00 11.40 C ATOM 1127 CD2 TYR A 76 -0.642 -10.560 -3.096 1.00 42.02 C ATOM 1128 CE1 TYR A 76 -0.194 -11.894 -5.474 1.00 51.34 C ATOM 1129 CE2 TYR A 76 0.571 -11.184 -3.319 1.00 43.34 C ATOM 1130 CZ TYR A 76 0.790 -11.852 -4.508 1.00 1.20 C ATOM 1131 OH TYR A 76 1.996 -12.477 -4.733 1.00 11.42 O ATOM 0 H TYR A 76 -5.334 -9.158 -3.680 1.00 74.13 H new ATOM 0 HA TYR A 76 -4.185 -11.665 -4.173 1.00 60.15 H new ATOM 0 HB2 TYR A 76 -3.271 -9.354 -4.716 1.00 55.25 H new ATOM 0 HB3 TYR A 76 -2.870 -9.164 -3.020 1.00 55.25 H new ATOM 0 HD1 TYR A 76 -2.174 -11.308 -6.005 1.00 11.40 H new ATOM 0 HD2 TYR A 76 -0.810 -10.044 -2.162 1.00 42.02 H new ATOM 0 HE1 TYR A 76 -0.019 -12.414 -6.404 1.00 51.34 H new ATOM 0 HE2 TYR A 76 1.345 -11.149 -2.566 1.00 43.34 H new ATOM 0 HH TYR A 76 2.192 -12.474 -5.693 1.00 11.42 H new ATOM 1141 N VAL A 77 -4.220 -10.850 -0.983 1.00 65.24 N ATOM 1142 CA VAL A 77 -3.989 -11.381 0.371 1.00 22.21 C ATOM 1143 C VAL A 77 -4.642 -12.762 0.551 1.00 31.03 C ATOM 1144 O VAL A 77 -4.115 -13.626 1.251 1.00 23.35 O ATOM 1145 CB VAL A 77 -4.521 -10.418 1.469 1.00 31.34 C ATOM 1146 CG1 VAL A 77 -6.050 -10.349 1.455 1.00 4.40 C ATOM 1147 CG2 VAL A 77 -4.007 -10.830 2.852 1.00 21.10 C ATOM 0 H VAL A 77 -4.696 -9.948 -1.005 1.00 65.24 H new ATOM 0 HA VAL A 77 -2.909 -11.477 0.483 1.00 22.21 H new ATOM 0 HB VAL A 77 -4.141 -9.421 1.248 1.00 31.34 H new ATOM 0 HG11 VAL A 77 -6.391 -9.667 2.234 1.00 4.40 H new ATOM 0 HG12 VAL A 77 -6.389 -9.988 0.484 1.00 4.40 H new ATOM 0 HG13 VAL A 77 -6.461 -11.342 1.637 1.00 4.40 H new ATOM 0 HG21 VAL A 77 -4.393 -10.141 3.604 1.00 21.10 H new ATOM 0 HG22 VAL A 77 -4.345 -11.841 3.079 1.00 21.10 H new ATOM 0 HG23 VAL A 77 -2.917 -10.801 2.859 1.00 21.10 H new ATOM 1157 N ASP A 78 -5.788 -12.964 -0.096 1.00 31.04 N ATOM 1158 CA ASP A 78 -6.518 -14.228 -0.004 1.00 15.24 C ATOM 1159 C ASP A 78 -5.864 -15.296 -0.900 1.00 44.32 C ATOM 1160 O ASP A 78 -6.017 -16.500 -0.678 1.00 54.14 O ATOM 1161 CB ASP A 78 -7.986 -14.003 -0.394 1.00 14.35 C ATOM 1162 CG ASP A 78 -8.910 -15.061 0.183 1.00 35.44 C ATOM 1163 OD1 ASP A 78 -9.108 -15.063 1.416 1.00 3.31 O ATOM 1164 OD2 ASP A 78 -9.457 -15.877 -0.586 1.00 72.05 O ATOM 0 H ASP A 78 -6.233 -12.266 -0.692 1.00 31.04 H new ATOM 0 HA ASP A 78 -6.481 -14.591 1.023 1.00 15.24 H new ATOM 0 HB2 ASP A 78 -8.304 -13.020 -0.048 1.00 14.35 H new ATOM 0 HB3 ASP A 78 -8.074 -14.002 -1.480 1.00 14.35 H new ATOM 1169 N CYS A 79 -5.111 -14.835 -1.899 1.00 13.02 N ATOM 1170 CA CYS A 79 -4.387 -15.727 -2.815 1.00 15.44 C ATOM 1171 C CYS A 79 -3.082 -16.256 -2.196 1.00 15.12 C ATOM 1172 O CYS A 79 -2.546 -17.275 -2.637 1.00 33.42 O ATOM 1173 CB CYS A 79 -4.068 -14.999 -4.127 1.00 21.51 C ATOM 1174 SG CYS A 79 -3.038 -15.953 -5.271 1.00 55.32 S ATOM 0 H CYS A 79 -4.984 -13.843 -2.098 1.00 13.02 H new ATOM 0 HA CYS A 79 -5.038 -16.579 -3.012 1.00 15.44 H new ATOM 0 HB2 CYS A 79 -5.003 -14.743 -4.625 1.00 21.51 H new ATOM 0 HB3 CYS A 79 -3.563 -14.061 -3.896 1.00 21.51 H new ATOM 0 HG CYS A 79 -2.484 -16.942 -4.634 1.00 55.32 H new ATOM 1180 N ILE A 80 -2.568 -15.556 -1.185 1.00 40.50 N ATOM 1181 CA ILE A 80 -1.322 -15.958 -0.514 1.00 32.15 C ATOM 1182 C ILE A 80 -1.487 -17.296 0.239 1.00 40.53 C ATOM 1183 O ILE A 80 -2.284 -17.396 1.176 1.00 42.11 O ATOM 1184 CB ILE A 80 -0.841 -14.865 0.479 1.00 34.13 C ATOM 1185 CG1 ILE A 80 -0.641 -13.523 -0.253 1.00 40.00 C ATOM 1186 CG2 ILE A 80 0.453 -15.301 1.174 1.00 21.43 C ATOM 1187 CD1 ILE A 80 -0.221 -12.383 0.653 1.00 64.34 C ATOM 0 H ILE A 80 -2.991 -14.707 -0.809 1.00 40.50 H new ATOM 0 HA ILE A 80 -0.572 -16.087 -1.295 1.00 32.15 H new ATOM 0 HB ILE A 80 -1.608 -14.729 1.241 1.00 34.13 H new ATOM 0 HG12 ILE A 80 0.113 -13.653 -1.029 1.00 40.00 H new ATOM 0 HG13 ILE A 80 -1.570 -13.252 -0.754 1.00 40.00 H new ATOM 0 HG21 ILE A 80 0.775 -14.522 1.866 1.00 21.43 H new ATOM 0 HG22 ILE A 80 0.277 -16.225 1.724 1.00 21.43 H new ATOM 0 HG23 ILE A 80 1.229 -15.466 0.427 1.00 21.43 H new ATOM 0 HD11 ILE A 80 -0.101 -11.474 0.063 1.00 64.34 H new ATOM 0 HD12 ILE A 80 -0.985 -12.223 1.414 1.00 64.34 H new ATOM 0 HD13 ILE A 80 0.725 -12.630 1.134 1.00 64.34 H new ATOM 1199 N PRO A 81 -0.747 -18.350 -0.170 1.00 4.12 N ATOM 1200 CA PRO A 81 -0.825 -19.677 0.466 1.00 5.43 C ATOM 1201 C PRO A 81 -0.105 -19.743 1.827 1.00 1.05 C ATOM 1202 O PRO A 81 -0.350 -20.647 2.625 1.00 63.22 O ATOM 1203 CB PRO A 81 -0.140 -20.616 -0.554 1.00 72.12 C ATOM 1204 CG PRO A 81 0.112 -19.780 -1.770 1.00 11.13 C ATOM 1205 CD PRO A 81 0.198 -18.357 -1.291 1.00 55.43 C ATOM 0 HA PRO A 81 -1.858 -19.946 0.689 1.00 5.43 H new ATOM 0 HB2 PRO A 81 0.792 -21.015 -0.154 1.00 72.12 H new ATOM 0 HB3 PRO A 81 -0.777 -21.468 -0.790 1.00 72.12 H new ATOM 0 HG2 PRO A 81 1.036 -20.081 -2.264 1.00 11.13 H new ATOM 0 HG3 PRO A 81 -0.692 -19.898 -2.497 1.00 11.13 H new ATOM 0 HD2 PRO A 81 1.207 -18.094 -0.974 1.00 55.43 H new ATOM 0 HD3 PRO A 81 -0.087 -17.648 -2.068 1.00 55.43 H new ATOM 1213 N GLN A 82 0.791 -18.786 2.083 1.00 35.12 N ATOM 1214 CA GLN A 82 1.569 -18.760 3.331 1.00 71.03 C ATOM 1215 C GLN A 82 0.997 -17.739 4.328 1.00 60.41 C ATOM 1216 O GLN A 82 1.043 -16.533 4.086 1.00 52.10 O ATOM 1217 CB GLN A 82 3.036 -18.422 3.031 1.00 55.22 C ATOM 1218 CG GLN A 82 3.710 -19.398 2.075 1.00 32.02 C ATOM 1219 CD GLN A 82 5.177 -19.078 1.853 1.00 54.31 C ATOM 1220 OE1 GLN A 82 6.045 -19.563 2.573 1.00 20.32 O ATOM 1221 NE2 GLN A 82 5.472 -18.260 0.863 1.00 14.42 N ATOM 0 H GLN A 82 0.998 -18.018 1.445 1.00 35.12 H new ATOM 0 HA GLN A 82 1.507 -19.750 3.783 1.00 71.03 H new ATOM 0 HB2 GLN A 82 3.089 -17.419 2.608 1.00 55.22 H new ATOM 0 HB3 GLN A 82 3.593 -18.402 3.968 1.00 55.22 H new ATOM 0 HG2 GLN A 82 3.618 -20.410 2.470 1.00 32.02 H new ATOM 0 HG3 GLN A 82 3.189 -19.381 1.118 1.00 32.02 H new ATOM 0 HE21 GLN A 82 4.728 -17.873 0.282 1.00 14.42 H new ATOM 0 HE22 GLN A 82 6.444 -18.014 0.677 1.00 14.42 H new ATOM 1230 N THR A 83 0.478 -18.228 5.452 1.00 25.01 N ATOM 1231 CA THR A 83 -0.107 -17.361 6.488 1.00 2.44 C ATOM 1232 C THR A 83 0.922 -16.377 7.063 1.00 5.34 C ATOM 1233 O THR A 83 0.579 -15.249 7.415 1.00 54.14 O ATOM 1234 CB THR A 83 -0.725 -18.187 7.643 1.00 62.41 C ATOM 1235 OG1 THR A 83 -1.730 -19.069 7.122 1.00 74.24 O ATOM 1236 CG2 THR A 83 -1.352 -17.282 8.701 1.00 14.15 C ATOM 0 H THR A 83 0.448 -19.223 5.675 1.00 25.01 H new ATOM 0 HA THR A 83 -0.896 -16.792 5.996 1.00 2.44 H new ATOM 0 HB THR A 83 0.075 -18.762 8.110 1.00 62.41 H new ATOM 0 HG1 THR A 83 -2.118 -19.592 7.855 1.00 74.24 H new ATOM 0 HG21 THR A 83 -1.777 -17.893 9.497 1.00 14.15 H new ATOM 0 HG22 THR A 83 -0.588 -16.624 9.116 1.00 14.15 H new ATOM 0 HG23 THR A 83 -2.139 -16.681 8.246 1.00 14.15 H new ATOM 1244 N ARG A 84 2.181 -16.803 7.149 1.00 20.20 N ATOM 1245 CA ARG A 84 3.271 -15.917 7.585 1.00 24.43 C ATOM 1246 C ARG A 84 3.324 -14.641 6.727 1.00 21.31 C ATOM 1247 O ARG A 84 3.336 -13.522 7.246 1.00 60.22 O ATOM 1248 CB ARG A 84 4.614 -16.659 7.507 1.00 52.41 C ATOM 1249 CG ARG A 84 4.739 -17.816 8.492 1.00 63.24 C ATOM 1250 CD ARG A 84 4.803 -17.327 9.936 1.00 14.31 C ATOM 1251 NE ARG A 84 5.959 -16.460 10.165 1.00 32.32 N ATOM 1252 CZ ARG A 84 6.354 -16.049 11.339 1.00 34.30 C ATOM 1253 NH1 ARG A 84 5.711 -16.394 12.408 1.00 44.41 N ATOM 1254 NH2 ARG A 84 7.399 -15.294 11.440 1.00 74.23 N ATOM 0 H ARG A 84 2.476 -17.753 6.924 1.00 20.20 H new ATOM 0 HA ARG A 84 3.080 -15.625 8.618 1.00 24.43 H new ATOM 0 HB2 ARG A 84 4.749 -17.040 6.495 1.00 52.41 H new ATOM 0 HB3 ARG A 84 5.421 -15.950 7.691 1.00 52.41 H new ATOM 0 HG2 ARG A 84 3.889 -18.488 8.373 1.00 63.24 H new ATOM 0 HG3 ARG A 84 5.635 -18.393 8.264 1.00 63.24 H new ATOM 0 HD2 ARG A 84 3.889 -16.785 10.177 1.00 14.31 H new ATOM 0 HD3 ARG A 84 4.852 -18.184 10.608 1.00 14.31 H new ATOM 0 HE ARG A 84 6.493 -16.156 9.351 1.00 32.32 H new ATOM 0 HH11 ARG A 84 4.888 -16.992 12.337 1.00 44.41 H new ATOM 0 HH12 ARG A 84 6.027 -16.068 13.321 1.00 44.41 H new ATOM 0 HH21 ARG A 84 7.913 -15.020 10.603 1.00 74.23 H new ATOM 0 HH22 ARG A 84 7.709 -14.972 12.357 1.00 74.23 H new ATOM 1268 N ASN A 85 3.355 -14.826 5.409 1.00 13.14 N ATOM 1269 CA ASN A 85 3.316 -13.706 4.463 1.00 50.35 C ATOM 1270 C ASN A 85 1.949 -13.009 4.493 1.00 45.15 C ATOM 1271 O ASN A 85 1.860 -11.788 4.410 1.00 54.14 O ATOM 1272 CB ASN A 85 3.601 -14.200 3.038 1.00 5.44 C ATOM 1273 CG ASN A 85 4.958 -14.864 2.898 1.00 63.43 C ATOM 1274 OD1 ASN A 85 5.496 -15.429 3.843 1.00 41.20 O ATOM 1275 ND2 ASN A 85 5.517 -14.811 1.708 1.00 74.21 N ATOM 0 H ASN A 85 3.407 -15.744 4.968 1.00 13.14 H new ATOM 0 HA ASN A 85 4.083 -12.992 4.761 1.00 50.35 H new ATOM 0 HB2 ASN A 85 2.825 -14.907 2.743 1.00 5.44 H new ATOM 0 HB3 ASN A 85 3.543 -13.357 2.349 1.00 5.44 H new ATOM 0 HD21 ASN A 85 6.425 -15.248 1.551 1.00 74.21 H new ATOM 0 HD22 ASN A 85 5.042 -14.333 0.942 1.00 74.21 H new ATOM 1282 N LYS A 86 0.891 -13.802 4.621 1.00 70.14 N ATOM 1283 CA LYS A 86 -0.486 -13.297 4.576 1.00 1.51 C ATOM 1284 C LYS A 86 -0.776 -12.308 5.718 1.00 71.13 C ATOM 1285 O LYS A 86 -1.361 -11.248 5.495 1.00 41.05 O ATOM 1286 CB LYS A 86 -1.463 -14.475 4.632 1.00 2.03 C ATOM 1287 CG LYS A 86 -2.929 -14.092 4.450 1.00 30.12 C ATOM 1288 CD LYS A 86 -3.829 -15.325 4.410 1.00 74.43 C ATOM 1289 CE LYS A 86 -3.788 -16.105 5.722 1.00 23.02 C ATOM 1290 NZ LYS A 86 -4.542 -17.383 5.634 1.00 34.24 N ATOM 0 H LYS A 86 0.958 -14.810 4.759 1.00 70.14 H new ATOM 0 HA LYS A 86 -0.615 -12.753 3.640 1.00 1.51 H new ATOM 0 HB2 LYS A 86 -1.190 -15.194 3.859 1.00 2.03 H new ATOM 0 HB3 LYS A 86 -1.349 -14.980 5.591 1.00 2.03 H new ATOM 0 HG2 LYS A 86 -3.240 -13.440 5.266 1.00 30.12 H new ATOM 0 HG3 LYS A 86 -3.046 -13.525 3.527 1.00 30.12 H new ATOM 0 HD2 LYS A 86 -4.854 -15.019 4.202 1.00 74.43 H new ATOM 0 HD3 LYS A 86 -3.518 -15.975 3.592 1.00 74.43 H new ATOM 0 HE2 LYS A 86 -2.752 -16.313 5.988 1.00 23.02 H new ATOM 0 HE3 LYS A 86 -4.205 -15.492 6.521 1.00 23.02 H new ATOM 0 HZ1 LYS A 86 -4.489 -17.881 6.545 1.00 34.24 H new ATOM 0 HZ2 LYS A 86 -5.537 -17.184 5.406 1.00 34.24 H new ATOM 0 HZ3 LYS A 86 -4.129 -17.979 4.889 1.00 34.24 H new ATOM 1304 N PHE A 87 -0.366 -12.653 6.937 1.00 12.50 N ATOM 1305 CA PHE A 87 -0.578 -11.772 8.092 1.00 14.23 C ATOM 1306 C PHE A 87 0.328 -10.536 8.005 1.00 62.41 C ATOM 1307 O PHE A 87 -0.096 -9.421 8.306 1.00 11.42 O ATOM 1308 CB PHE A 87 -0.329 -12.526 9.408 1.00 62.44 C ATOM 1309 CG PHE A 87 -0.818 -11.780 10.632 1.00 64.03 C ATOM 1310 CD1 PHE A 87 -2.132 -11.915 11.064 1.00 13.03 C ATOM 1311 CD2 PHE A 87 0.029 -10.941 11.346 1.00 31.05 C ATOM 1312 CE1 PHE A 87 -2.588 -11.231 12.175 1.00 65.31 C ATOM 1313 CE2 PHE A 87 -0.423 -10.255 12.457 1.00 24.54 C ATOM 1314 CZ PHE A 87 -1.732 -10.402 12.873 1.00 34.31 C ATOM 0 H PHE A 87 0.111 -13.528 7.153 1.00 12.50 H new ATOM 0 HA PHE A 87 -1.617 -11.441 8.077 1.00 14.23 H new ATOM 0 HB2 PHE A 87 -0.824 -13.496 9.361 1.00 62.44 H new ATOM 0 HB3 PHE A 87 0.739 -12.718 9.511 1.00 62.44 H new ATOM 0 HD1 PHE A 87 -2.806 -12.563 10.524 1.00 13.03 H new ATOM 0 HD2 PHE A 87 1.054 -10.824 11.028 1.00 31.05 H new ATOM 0 HE1 PHE A 87 -3.613 -11.345 12.497 1.00 65.31 H new ATOM 0 HE2 PHE A 87 0.247 -9.604 13.000 1.00 24.54 H new ATOM 0 HZ PHE A 87 -2.086 -9.869 13.743 1.00 34.31 H new ATOM 1324 N ALA A 88 1.576 -10.742 7.581 1.00 33.33 N ATOM 1325 CA ALA A 88 2.505 -9.627 7.346 1.00 20.04 C ATOM 1326 C ALA A 88 1.958 -8.681 6.267 1.00 11.54 C ATOM 1327 O ALA A 88 2.137 -7.463 6.329 1.00 73.51 O ATOM 1328 CB ALA A 88 3.878 -10.156 6.945 1.00 63.02 C ATOM 0 H ALA A 88 1.969 -11.664 7.393 1.00 33.33 H new ATOM 0 HA ALA A 88 2.606 -9.064 8.274 1.00 20.04 H new ATOM 0 HB1 ALA A 88 4.555 -9.319 6.774 1.00 63.02 H new ATOM 0 HB2 ALA A 88 4.273 -10.785 7.743 1.00 63.02 H new ATOM 0 HB3 ALA A 88 3.789 -10.743 6.031 1.00 63.02 H new ATOM 1334 N PHE A 89 1.284 -9.264 5.282 1.00 35.04 N ATOM 1335 CA PHE A 89 0.619 -8.506 4.225 1.00 25.11 C ATOM 1336 C PHE A 89 -0.614 -7.779 4.786 1.00 60.10 C ATOM 1337 O PHE A 89 -0.860 -6.617 4.468 1.00 61.33 O ATOM 1338 CB PHE A 89 0.215 -9.458 3.090 1.00 12.01 C ATOM 1339 CG PHE A 89 -0.184 -8.767 1.809 1.00 65.44 C ATOM 1340 CD1 PHE A 89 0.773 -8.426 0.861 1.00 2.10 C ATOM 1341 CD2 PHE A 89 -1.511 -8.464 1.549 1.00 51.53 C ATOM 1342 CE1 PHE A 89 0.409 -7.805 -0.319 1.00 74.43 C ATOM 1343 CE2 PHE A 89 -1.877 -7.844 0.371 1.00 14.54 C ATOM 1344 CZ PHE A 89 -0.917 -7.512 -0.561 1.00 1.15 C ATOM 0 H PHE A 89 1.182 -10.275 5.192 1.00 35.04 H new ATOM 0 HA PHE A 89 1.306 -7.756 3.832 1.00 25.11 H new ATOM 0 HB2 PHE A 89 1.048 -10.130 2.882 1.00 12.01 H new ATOM 0 HB3 PHE A 89 -0.616 -10.076 3.429 1.00 12.01 H new ATOM 0 HD1 PHE A 89 1.813 -8.649 1.048 1.00 2.10 H new ATOM 0 HD2 PHE A 89 -2.268 -8.716 2.277 1.00 51.53 H new ATOM 0 HE1 PHE A 89 1.162 -7.550 -1.050 1.00 74.43 H new ATOM 0 HE2 PHE A 89 -2.916 -7.619 0.180 1.00 14.54 H new ATOM 0 HZ PHE A 89 -1.203 -7.023 -1.480 1.00 1.15 H new ATOM 1354 N ARG A 90 -1.377 -8.473 5.635 1.00 24.22 N ATOM 1355 CA ARG A 90 -2.541 -7.881 6.308 1.00 54.34 C ATOM 1356 C ARG A 90 -2.162 -6.632 7.111 1.00 0.32 C ATOM 1357 O ARG A 90 -2.765 -5.571 6.939 1.00 24.14 O ATOM 1358 CB ARG A 90 -3.203 -8.915 7.234 1.00 45.11 C ATOM 1359 CG ARG A 90 -4.326 -9.727 6.587 1.00 61.24 C ATOM 1360 CD ARG A 90 -5.643 -8.948 6.524 1.00 55.11 C ATOM 1361 NE ARG A 90 -5.627 -7.864 5.537 1.00 31.24 N ATOM 1362 CZ ARG A 90 -6.044 -6.643 5.773 1.00 71.11 C ATOM 1363 NH1 ARG A 90 -6.365 -6.270 6.970 1.00 31.32 N ATOM 1364 NH2 ARG A 90 -6.116 -5.793 4.805 1.00 23.31 N ATOM 0 H ARG A 90 -1.210 -9.450 5.875 1.00 24.22 H new ATOM 0 HA ARG A 90 -3.247 -7.579 5.534 1.00 54.34 H new ATOM 0 HB2 ARG A 90 -2.438 -9.602 7.594 1.00 45.11 H new ATOM 0 HB3 ARG A 90 -3.603 -8.398 8.106 1.00 45.11 H new ATOM 0 HG2 ARG A 90 -4.028 -10.016 5.579 1.00 61.24 H new ATOM 0 HG3 ARG A 90 -4.477 -10.648 7.151 1.00 61.24 H new ATOM 0 HD2 ARG A 90 -6.454 -9.636 6.285 1.00 55.11 H new ATOM 0 HD3 ARG A 90 -5.859 -8.531 7.508 1.00 55.11 H new ATOM 0 HE ARG A 90 -5.268 -8.073 4.605 1.00 31.24 H new ATOM 0 HH11 ARG A 90 -6.295 -6.929 7.745 1.00 31.32 H new ATOM 0 HH12 ARG A 90 -6.688 -5.317 7.138 1.00 31.32 H new ATOM 0 HH21 ARG A 90 -5.849 -6.072 3.861 1.00 23.31 H new ATOM 0 HH22 ARG A 90 -6.440 -4.842 4.984 1.00 23.31 H new ATOM 1378 N GLU A 91 -1.165 -6.756 7.987 1.00 14.33 N ATOM 1379 CA GLU A 91 -0.721 -5.621 8.800 1.00 33.14 C ATOM 1380 C GLU A 91 -0.150 -4.497 7.919 1.00 44.24 C ATOM 1381 O GLU A 91 -0.415 -3.319 8.154 1.00 63.04 O ATOM 1382 CB GLU A 91 0.314 -6.066 9.848 1.00 11.21 C ATOM 1383 CG GLU A 91 1.620 -6.588 9.259 1.00 32.51 C ATOM 1384 CD GLU A 91 2.641 -6.958 10.324 1.00 43.13 C ATOM 1385 OE1 GLU A 91 3.387 -6.061 10.776 1.00 51.35 O ATOM 1386 OE2 GLU A 91 2.703 -8.142 10.721 1.00 51.13 O ATOM 0 H GLU A 91 -0.653 -7.622 8.152 1.00 14.33 H new ATOM 0 HA GLU A 91 -1.592 -5.229 9.325 1.00 33.14 H new ATOM 0 HB2 GLU A 91 0.536 -5.223 10.503 1.00 11.21 H new ATOM 0 HB3 GLU A 91 -0.128 -6.845 10.469 1.00 11.21 H new ATOM 0 HG2 GLU A 91 1.411 -7.463 8.643 1.00 32.51 H new ATOM 0 HG3 GLU A 91 2.046 -5.830 8.602 1.00 32.51 H new ATOM 1393 N ALA A 92 0.614 -4.870 6.889 1.00 52.15 N ATOM 1394 CA ALA A 92 1.161 -3.897 5.938 1.00 33.13 C ATOM 1395 C ALA A 92 0.041 -3.089 5.260 1.00 12.23 C ATOM 1396 O ALA A 92 0.118 -1.862 5.153 1.00 73.41 O ATOM 1397 CB ALA A 92 2.024 -4.608 4.899 1.00 32.23 C ATOM 0 H ALA A 92 0.868 -5.838 6.692 1.00 52.15 H new ATOM 0 HA ALA A 92 1.785 -3.193 6.489 1.00 33.13 H new ATOM 0 HB1 ALA A 92 2.425 -3.877 4.197 1.00 32.23 H new ATOM 0 HB2 ALA A 92 2.846 -5.121 5.398 1.00 32.23 H new ATOM 0 HB3 ALA A 92 1.418 -5.335 4.358 1.00 32.23 H new ATOM 1403 N VAL A 93 -1.006 -3.786 4.819 1.00 53.24 N ATOM 1404 CA VAL A 93 -2.187 -3.136 4.238 1.00 55.44 C ATOM 1405 C VAL A 93 -2.930 -2.301 5.293 1.00 42.41 C ATOM 1406 O VAL A 93 -3.390 -1.192 5.012 1.00 41.30 O ATOM 1407 CB VAL A 93 -3.155 -4.178 3.618 1.00 70.21 C ATOM 1408 CG1 VAL A 93 -4.437 -3.518 3.115 1.00 44.35 C ATOM 1409 CG2 VAL A 93 -2.467 -4.932 2.486 1.00 3.30 C ATOM 0 H VAL A 93 -1.063 -4.804 4.852 1.00 53.24 H new ATOM 0 HA VAL A 93 -1.836 -2.474 3.447 1.00 55.44 H new ATOM 0 HB VAL A 93 -3.429 -4.886 4.400 1.00 70.21 H new ATOM 0 HG11 VAL A 93 -5.093 -4.276 2.687 1.00 44.35 H new ATOM 0 HG12 VAL A 93 -4.944 -3.027 3.946 1.00 44.35 H new ATOM 0 HG13 VAL A 93 -4.191 -2.779 2.353 1.00 44.35 H new ATOM 0 HG21 VAL A 93 -3.158 -5.660 2.061 1.00 3.30 H new ATOM 0 HG22 VAL A 93 -2.161 -4.227 1.713 1.00 3.30 H new ATOM 0 HG23 VAL A 93 -1.589 -5.449 2.874 1.00 3.30 H new ATOM 1419 N SER A 94 -3.015 -2.835 6.514 1.00 10.34 N ATOM 1420 CA SER A 94 -3.654 -2.122 7.634 1.00 23.14 C ATOM 1421 C SER A 94 -2.907 -0.816 7.942 1.00 64.03 C ATOM 1422 O SER A 94 -3.493 0.161 8.403 1.00 13.41 O ATOM 1423 CB SER A 94 -3.698 -3.004 8.892 1.00 0.21 C ATOM 1424 OG SER A 94 -4.481 -4.174 8.684 1.00 40.32 O ATOM 0 H SER A 94 -2.652 -3.757 6.757 1.00 10.34 H new ATOM 0 HA SER A 94 -4.676 -1.884 7.337 1.00 23.14 H new ATOM 0 HB2 SER A 94 -2.684 -3.289 9.173 1.00 0.21 H new ATOM 0 HB3 SER A 94 -4.110 -2.433 9.724 1.00 0.21 H new ATOM 0 HG SER A 94 -4.001 -4.788 8.090 1.00 40.32 H new ATOM 1430 N LYS A 95 -1.602 -0.816 7.697 1.00 71.11 N ATOM 1431 CA LYS A 95 -0.787 0.398 7.808 1.00 30.42 C ATOM 1432 C LYS A 95 -1.109 1.381 6.672 1.00 1.42 C ATOM 1433 O LYS A 95 -1.291 2.577 6.902 1.00 53.22 O ATOM 1434 CB LYS A 95 0.702 0.025 7.765 1.00 45.14 C ATOM 1435 CG LYS A 95 1.171 -0.804 8.959 1.00 11.11 C ATOM 1436 CD LYS A 95 2.530 -1.452 8.706 1.00 43.33 C ATOM 1437 CE LYS A 95 3.611 -0.426 8.380 1.00 11.32 C ATOM 1438 NZ LYS A 95 3.809 0.547 9.485 1.00 30.24 N ATOM 0 H LYS A 95 -1.079 -1.646 7.418 1.00 71.11 H new ATOM 0 HA LYS A 95 -1.017 0.883 8.757 1.00 30.42 H new ATOM 0 HB2 LYS A 95 0.900 -0.532 6.849 1.00 45.14 H new ATOM 0 HB3 LYS A 95 1.293 0.939 7.716 1.00 45.14 H new ATOM 0 HG2 LYS A 95 1.232 -0.167 9.841 1.00 11.11 H new ATOM 0 HG3 LYS A 95 0.435 -1.578 9.175 1.00 11.11 H new ATOM 0 HD2 LYS A 95 2.827 -2.022 9.586 1.00 43.33 H new ATOM 0 HD3 LYS A 95 2.444 -2.160 7.882 1.00 43.33 H new ATOM 0 HE2 LYS A 95 4.550 -0.941 8.178 1.00 11.32 H new ATOM 0 HE3 LYS A 95 3.340 0.109 7.470 1.00 11.32 H new ATOM 0 HZ1 LYS A 95 4.619 1.161 9.266 1.00 30.24 H new ATOM 0 HZ2 LYS A 95 2.953 1.128 9.594 1.00 30.24 H new ATOM 0 HZ3 LYS A 95 3.994 0.034 10.370 1.00 30.24 H new ATOM 1452 N LEU A 96 -1.187 0.851 5.449 1.00 22.11 N ATOM 1453 CA LEU A 96 -1.440 1.662 4.251 1.00 32.43 C ATOM 1454 C LEU A 96 -2.769 2.433 4.348 1.00 41.42 C ATOM 1455 O LEU A 96 -2.803 3.651 4.156 1.00 61.32 O ATOM 1456 CB LEU A 96 -1.455 0.765 3.003 1.00 33.12 C ATOM 1457 CG LEU A 96 -1.676 1.495 1.665 1.00 55.31 C ATOM 1458 CD1 LEU A 96 -0.514 2.436 1.357 1.00 60.10 C ATOM 1459 CD2 LEU A 96 -1.880 0.494 0.530 1.00 40.35 C ATOM 0 H LEU A 96 -1.078 -0.145 5.260 1.00 22.11 H new ATOM 0 HA LEU A 96 -0.634 2.392 4.174 1.00 32.43 H new ATOM 0 HB2 LEU A 96 -0.508 0.228 2.952 1.00 33.12 H new ATOM 0 HB3 LEU A 96 -2.239 0.018 3.123 1.00 33.12 H new ATOM 0 HG LEU A 96 -2.580 2.097 1.754 1.00 55.31 H new ATOM 0 HD11 LEU A 96 -0.695 2.939 0.407 1.00 60.10 H new ATOM 0 HD12 LEU A 96 -0.427 3.179 2.150 1.00 60.10 H new ATOM 0 HD13 LEU A 96 0.411 1.863 1.294 1.00 60.10 H new ATOM 0 HD21 LEU A 96 -2.034 1.031 -0.406 1.00 40.35 H new ATOM 0 HD22 LEU A 96 -0.999 -0.141 0.442 1.00 40.35 H new ATOM 0 HD23 LEU A 96 -2.753 -0.123 0.742 1.00 40.35 H new ATOM 1471 N GLU A 97 -3.857 1.725 4.655 1.00 71.23 N ATOM 1472 CA GLU A 97 -5.189 2.348 4.728 1.00 22.42 C ATOM 1473 C GLU A 97 -5.251 3.439 5.809 1.00 44.21 C ATOM 1474 O GLU A 97 -5.793 4.523 5.579 1.00 45.42 O ATOM 1475 CB GLU A 97 -6.265 1.281 4.974 1.00 45.10 C ATOM 1476 CG GLU A 97 -6.061 0.465 6.245 1.00 45.15 C ATOM 1477 CD GLU A 97 -7.065 -0.666 6.387 1.00 11.25 C ATOM 1478 OE1 GLU A 97 -8.213 -0.405 6.806 1.00 43.43 O ATOM 1479 OE2 GLU A 97 -6.711 -1.823 6.080 1.00 20.34 O ATOM 0 H GLU A 97 -3.848 0.725 4.857 1.00 71.23 H new ATOM 0 HA GLU A 97 -5.382 2.829 3.769 1.00 22.42 H new ATOM 0 HB2 GLU A 97 -7.239 1.768 5.022 1.00 45.10 H new ATOM 0 HB3 GLU A 97 -6.289 0.603 4.121 1.00 45.10 H new ATOM 0 HG2 GLU A 97 -5.052 0.052 6.248 1.00 45.15 H new ATOM 0 HG3 GLU A 97 -6.138 1.124 7.110 1.00 45.15 H new ATOM 1486 N LEU A 98 -4.680 3.160 6.980 1.00 63.01 N ATOM 1487 CA LEU A 98 -4.616 4.147 8.064 1.00 22.54 C ATOM 1488 C LEU A 98 -3.824 5.394 7.642 1.00 62.11 C ATOM 1489 O LEU A 98 -4.299 6.520 7.795 1.00 5.24 O ATOM 1490 CB LEU A 98 -4.012 3.524 9.337 1.00 44.44 C ATOM 1491 CG LEU A 98 -5.024 2.864 10.294 1.00 61.51 C ATOM 1492 CD1 LEU A 98 -5.976 3.911 10.873 1.00 64.04 C ATOM 1493 CD2 LEU A 98 -5.812 1.761 9.591 1.00 60.45 C ATOM 0 H LEU A 98 -4.255 2.261 7.205 1.00 63.01 H new ATOM 0 HA LEU A 98 -5.636 4.460 8.285 1.00 22.54 H new ATOM 0 HB2 LEU A 98 -3.276 2.776 9.041 1.00 44.44 H new ATOM 0 HB3 LEU A 98 -3.476 4.301 9.882 1.00 44.44 H new ATOM 0 HG LEU A 98 -4.463 2.410 11.111 1.00 61.51 H new ATOM 0 HD11 LEU A 98 -6.683 3.427 11.546 1.00 64.04 H new ATOM 0 HD12 LEU A 98 -5.404 4.658 11.424 1.00 64.04 H new ATOM 0 HD13 LEU A 98 -6.520 4.396 10.062 1.00 64.04 H new ATOM 0 HD21 LEU A 98 -6.517 1.315 10.292 1.00 60.45 H new ATOM 0 HD22 LEU A 98 -6.357 2.184 8.747 1.00 60.45 H new ATOM 0 HD23 LEU A 98 -5.125 0.995 9.231 1.00 60.45 H new ATOM 1505 N SER A 99 -2.627 5.189 7.093 1.00 23.23 N ATOM 1506 CA SER A 99 -1.800 6.304 6.612 1.00 74.41 C ATOM 1507 C SER A 99 -2.495 7.076 5.472 1.00 74.40 C ATOM 1508 O SER A 99 -2.255 8.268 5.282 1.00 60.24 O ATOM 1509 CB SER A 99 -0.409 5.808 6.178 1.00 11.21 C ATOM 1510 OG SER A 99 -0.491 4.713 5.280 1.00 52.33 O ATOM 0 H SER A 99 -2.207 4.268 6.969 1.00 23.23 H new ATOM 0 HA SER A 99 -1.669 6.998 7.442 1.00 74.41 H new ATOM 0 HB2 SER A 99 0.136 6.625 5.705 1.00 11.21 H new ATOM 0 HB3 SER A 99 0.161 5.513 7.059 1.00 11.21 H new ATOM 0 HG SER A 99 0.246 4.091 5.454 1.00 52.33 H new ATOM 1516 N LEU A 100 -3.363 6.394 4.719 1.00 41.41 N ATOM 1517 CA LEU A 100 -4.166 7.049 3.671 1.00 22.41 C ATOM 1518 C LEU A 100 -5.269 7.944 4.268 1.00 61.52 C ATOM 1519 O LEU A 100 -5.457 9.087 3.840 1.00 34.45 O ATOM 1520 CB LEU A 100 -4.802 5.996 2.743 1.00 4.04 C ATOM 1521 CG LEU A 100 -3.854 5.368 1.706 1.00 22.34 C ATOM 1522 CD1 LEU A 100 -4.517 4.180 1.016 1.00 4.11 C ATOM 1523 CD2 LEU A 100 -3.427 6.408 0.674 1.00 13.45 C ATOM 0 H LEU A 100 -3.530 5.392 4.812 1.00 41.41 H new ATOM 0 HA LEU A 100 -3.490 7.682 3.096 1.00 22.41 H new ATOM 0 HB2 LEU A 100 -5.218 5.199 3.359 1.00 4.04 H new ATOM 0 HB3 LEU A 100 -5.635 6.459 2.214 1.00 4.04 H new ATOM 0 HG LEU A 100 -2.967 5.010 2.229 1.00 22.34 H new ATOM 0 HD11 LEU A 100 -3.829 3.752 0.287 1.00 4.11 H new ATOM 0 HD12 LEU A 100 -4.775 3.425 1.759 1.00 4.11 H new ATOM 0 HD13 LEU A 100 -5.422 4.513 0.508 1.00 4.11 H new ATOM 0 HD21 LEU A 100 -2.757 5.947 -0.052 1.00 13.45 H new ATOM 0 HD22 LEU A 100 -4.308 6.794 0.161 1.00 13.45 H new ATOM 0 HD23 LEU A 100 -2.911 7.227 1.175 1.00 13.45 H new ATOM 1535 N GLN A 101 -5.999 7.424 5.258 1.00 3.52 N ATOM 1536 CA GLN A 101 -7.129 8.154 5.847 1.00 33.03 C ATOM 1537 C GLN A 101 -6.668 9.307 6.760 1.00 53.02 C ATOM 1538 O GLN A 101 -7.344 10.334 6.851 1.00 72.13 O ATOM 1539 CB GLN A 101 -8.067 7.192 6.599 1.00 71.12 C ATOM 1540 CG GLN A 101 -7.415 6.436 7.751 1.00 25.12 C ATOM 1541 CD GLN A 101 -8.312 5.344 8.314 1.00 4.14 C ATOM 1542 OE1 GLN A 101 -8.282 4.205 7.863 1.00 25.51 O ATOM 1543 NE2 GLN A 101 -9.120 5.680 9.299 1.00 63.31 N ATOM 0 H GLN A 101 -5.831 6.505 5.668 1.00 3.52 H new ATOM 0 HA GLN A 101 -7.684 8.606 5.025 1.00 33.03 H new ATOM 0 HB2 GLN A 101 -8.912 7.760 6.988 1.00 71.12 H new ATOM 0 HB3 GLN A 101 -8.468 6.469 5.889 1.00 71.12 H new ATOM 0 HG2 GLN A 101 -6.480 5.993 7.407 1.00 25.12 H new ATOM 0 HG3 GLN A 101 -7.162 7.139 8.545 1.00 25.12 H new ATOM 0 HE21 GLN A 101 -9.122 6.637 9.653 1.00 63.31 H new ATOM 0 HE22 GLN A 101 -9.743 4.984 9.707 1.00 63.31 H new ATOM 1552 N GLU A 102 -5.523 9.153 7.428 1.00 50.15 N ATOM 1553 CA GLU A 102 -4.974 10.245 8.248 1.00 53.53 C ATOM 1554 C GLU A 102 -4.375 11.352 7.362 1.00 15.00 C ATOM 1555 O GLU A 102 -4.374 12.526 7.737 1.00 44.31 O ATOM 1556 CB GLU A 102 -3.914 9.726 9.236 1.00 62.02 C ATOM 1557 CG GLU A 102 -2.666 9.152 8.575 1.00 74.40 C ATOM 1558 CD GLU A 102 -1.608 8.709 9.577 1.00 74.42 C ATOM 1559 OE1 GLU A 102 -1.737 7.603 10.139 1.00 60.13 O ATOM 1560 OE2 GLU A 102 -0.641 9.465 9.811 1.00 23.02 O ATOM 0 H GLU A 102 -4.963 8.300 7.421 1.00 50.15 H new ATOM 0 HA GLU A 102 -5.799 10.666 8.823 1.00 53.53 H new ATOM 0 HB2 GLU A 102 -3.619 10.542 9.895 1.00 62.02 H new ATOM 0 HB3 GLU A 102 -4.365 8.957 9.863 1.00 62.02 H new ATOM 0 HG2 GLU A 102 -2.949 8.301 7.955 1.00 74.40 H new ATOM 0 HG3 GLU A 102 -2.237 9.902 7.910 1.00 74.40 H new ATOM 1567 N LEU A 103 -3.873 10.973 6.183 1.00 41.55 N ATOM 1568 CA LEU A 103 -3.303 11.938 5.235 1.00 44.14 C ATOM 1569 C LEU A 103 -4.375 12.872 4.657 1.00 3.23 C ATOM 1570 O LEU A 103 -4.253 14.091 4.743 1.00 24.54 O ATOM 1571 CB LEU A 103 -2.593 11.212 4.082 1.00 30.24 C ATOM 1572 CG LEU A 103 -1.987 12.135 3.010 1.00 40.13 C ATOM 1573 CD1 LEU A 103 -0.867 12.991 3.602 1.00 71.12 C ATOM 1574 CD2 LEU A 103 -1.489 11.323 1.818 1.00 61.13 C ATOM 0 H LEU A 103 -3.849 10.005 5.861 1.00 41.55 H new ATOM 0 HA LEU A 103 -2.583 12.539 5.790 1.00 44.14 H new ATOM 0 HB2 LEU A 103 -1.799 10.591 4.497 1.00 30.24 H new ATOM 0 HB3 LEU A 103 -3.305 10.540 3.602 1.00 30.24 H new ATOM 0 HG LEU A 103 -2.768 12.807 2.655 1.00 40.13 H new ATOM 0 HD11 LEU A 103 -0.453 13.636 2.827 1.00 71.12 H new ATOM 0 HD12 LEU A 103 -1.266 13.605 4.409 1.00 71.12 H new ATOM 0 HD13 LEU A 103 -0.082 12.344 3.993 1.00 71.12 H new ATOM 0 HD21 LEU A 103 -1.064 11.995 1.072 1.00 61.13 H new ATOM 0 HD22 LEU A 103 -0.725 10.620 2.150 1.00 61.13 H new ATOM 0 HD23 LEU A 103 -2.321 10.773 1.379 1.00 61.13 H new ATOM 1586 N GLN A 104 -5.424 12.291 4.072 1.00 54.02 N ATOM 1587 CA GLN A 104 -6.473 13.071 3.395 1.00 23.11 C ATOM 1588 C GLN A 104 -7.067 14.170 4.298 1.00 35.24 C ATOM 1589 O GLN A 104 -7.390 15.260 3.826 1.00 74.34 O ATOM 1590 CB GLN A 104 -7.581 12.138 2.881 1.00 43.13 C ATOM 1591 CG GLN A 104 -8.193 11.247 3.956 1.00 72.21 C ATOM 1592 CD GLN A 104 -9.250 10.304 3.406 1.00 53.33 C ATOM 1593 OE1 GLN A 104 -8.828 9.137 2.956 1.00 52.41 O flip ATOM 1594 NE2 GLN A 104 -10.432 10.620 3.378 1.00 4.51 N flip ATOM 0 H GLN A 104 -5.574 11.282 4.051 1.00 54.02 H new ATOM 0 HA GLN A 104 -6.005 13.575 2.549 1.00 23.11 H new ATOM 0 HB2 GLN A 104 -8.370 12.741 2.432 1.00 43.13 H new ATOM 0 HB3 GLN A 104 -7.173 11.508 2.091 1.00 43.13 H new ATOM 0 HG2 GLN A 104 -7.404 10.664 4.431 1.00 72.21 H new ATOM 0 HG3 GLN A 104 -8.638 11.872 4.730 1.00 72.21 H new ATOM 0 HE21 GLN A 104 -10.725 11.530 3.734 1.00 4.51 H new ATOM 0 HE22 GLN A 104 -11.124 9.974 2.999 1.00 4.51 H new ATOM 1603 N VAL A 105 -7.198 13.887 5.593 1.00 33.13 N ATOM 1604 CA VAL A 105 -7.728 14.874 6.544 1.00 21.30 C ATOM 1605 C VAL A 105 -6.640 15.858 7.021 1.00 53.01 C ATOM 1606 O VAL A 105 -6.946 16.965 7.466 1.00 1.40 O ATOM 1607 CB VAL A 105 -8.378 14.186 7.773 1.00 64.03 C ATOM 1608 CG1 VAL A 105 -9.548 13.304 7.339 1.00 74.00 C ATOM 1609 CG2 VAL A 105 -7.347 13.376 8.556 1.00 73.00 C ATOM 0 H VAL A 105 -6.948 12.990 6.010 1.00 33.13 H new ATOM 0 HA VAL A 105 -8.492 15.437 6.008 1.00 21.30 H new ATOM 0 HB VAL A 105 -8.763 14.964 8.433 1.00 64.03 H new ATOM 0 HG11 VAL A 105 -9.991 12.830 8.215 1.00 74.00 H new ATOM 0 HG12 VAL A 105 -10.299 13.916 6.839 1.00 74.00 H new ATOM 0 HG13 VAL A 105 -9.190 12.536 6.653 1.00 74.00 H new ATOM 0 HG21 VAL A 105 -7.829 12.904 9.412 1.00 73.00 H new ATOM 0 HG22 VAL A 105 -6.921 12.608 7.910 1.00 73.00 H new ATOM 0 HG23 VAL A 105 -6.554 14.037 8.905 1.00 73.00 H new ATOM 1619 N SER A 106 -5.371 15.457 6.902 1.00 33.52 N ATOM 1620 CA SER A 106 -4.238 16.281 7.373 1.00 51.03 C ATOM 1621 C SER A 106 -3.394 16.824 6.205 1.00 14.42 C ATOM 1622 O SER A 106 -2.283 17.316 6.410 1.00 53.45 O ATOM 1623 CB SER A 106 -3.333 15.458 8.307 1.00 32.20 C ATOM 1624 OG SER A 106 -4.061 14.909 9.398 1.00 15.24 O ATOM 0 H SER A 106 -5.096 14.568 6.485 1.00 33.52 H new ATOM 0 HA SER A 106 -4.661 17.129 7.912 1.00 51.03 H new ATOM 0 HB2 SER A 106 -2.863 14.653 7.742 1.00 32.20 H new ATOM 0 HB3 SER A 106 -2.531 16.091 8.687 1.00 32.20 H new ATOM 0 HG SER A 106 -4.361 14.004 9.169 1.00 15.24 H new ATOM 1630 N SER A 107 -3.922 16.734 4.984 1.00 13.55 N ATOM 1631 CA SER A 107 -3.188 17.166 3.780 1.00 54.43 C ATOM 1632 C SER A 107 -2.891 18.673 3.791 1.00 31.14 C ATOM 1633 O SER A 107 -1.733 19.080 3.910 1.00 5.34 O ATOM 1634 CB SER A 107 -3.973 16.796 2.510 1.00 51.30 C ATOM 1635 OG SER A 107 -5.259 17.406 2.496 1.00 42.55 O ATOM 0 H SER A 107 -4.855 16.367 4.796 1.00 13.55 H new ATOM 0 HA SER A 107 -2.233 16.641 3.782 1.00 54.43 H new ATOM 0 HB2 SER A 107 -3.411 17.108 1.630 1.00 51.30 H new ATOM 0 HB3 SER A 107 -4.082 15.713 2.451 1.00 51.30 H new ATOM 0 HG SER A 107 -5.914 16.798 2.899 1.00 42.55 H new ATOM 1641 N ALA A 108 -3.940 19.485 3.645 1.00 51.23 N ATOM 1642 CA ALA A 108 -3.837 20.959 3.652 1.00 3.22 C ATOM 1643 C ALA A 108 -3.196 21.523 2.365 1.00 21.13 C ATOM 1644 O ALA A 108 -3.683 22.505 1.800 1.00 64.23 O ATOM 1645 CB ALA A 108 -3.080 21.452 4.886 1.00 21.00 C ATOM 0 H ALA A 108 -4.893 19.144 3.517 1.00 51.23 H new ATOM 0 HA ALA A 108 -4.859 21.336 3.690 1.00 3.22 H new ATOM 0 HB1 ALA A 108 -3.019 22.540 4.865 1.00 21.00 H new ATOM 0 HB2 ALA A 108 -3.606 21.135 5.786 1.00 21.00 H new ATOM 0 HB3 ALA A 108 -2.074 21.032 4.887 1.00 21.00 H new ATOM 1651 N ALA A 109 -2.100 20.912 1.916 1.00 31.00 N ATOM 1652 CA ALA A 109 -1.400 21.346 0.702 1.00 4.50 C ATOM 1653 C ALA A 109 -2.055 20.787 -0.570 1.00 45.42 C ATOM 1654 O ALA A 109 -2.938 19.934 -0.506 1.00 31.12 O ATOM 1655 CB ALA A 109 0.062 20.917 0.772 1.00 55.23 C ATOM 0 H ALA A 109 -1.673 20.109 2.377 1.00 31.00 H new ATOM 0 HA ALA A 109 -1.463 22.433 0.650 1.00 4.50 H new ATOM 0 HB1 ALA A 109 0.580 21.241 -0.131 1.00 55.23 H new ATOM 0 HB2 ALA A 109 0.533 21.372 1.643 1.00 55.23 H new ATOM 0 HB3 ALA A 109 0.119 19.832 0.854 1.00 55.23 H new ATOM 1661 N ALA A 110 -1.618 21.285 -1.726 1.00 22.32 N ATOM 1662 CA ALA A 110 -2.095 20.786 -3.018 1.00 32.23 C ATOM 1663 C ALA A 110 -1.201 19.647 -3.531 1.00 45.21 C ATOM 1664 O ALA A 110 -1.662 18.524 -3.738 1.00 74.11 O ATOM 1665 CB ALA A 110 -2.147 21.923 -4.035 1.00 5.10 C ATOM 0 H ALA A 110 -0.932 22.036 -1.796 1.00 22.32 H new ATOM 0 HA ALA A 110 -3.101 20.390 -2.882 1.00 32.23 H new ATOM 0 HB1 ALA A 110 -2.503 21.540 -4.991 1.00 5.10 H new ATOM 0 HB2 ALA A 110 -2.826 22.698 -3.680 1.00 5.10 H new ATOM 0 HB3 ALA A 110 -1.150 22.344 -4.161 1.00 5.10 H new ATOM 1671 N GLY A 111 0.084 19.948 -3.730 1.00 64.23 N ATOM 1672 CA GLY A 111 1.023 18.944 -4.222 1.00 63.25 C ATOM 1673 C GLY A 111 2.479 19.244 -3.871 1.00 54.34 C ATOM 1674 O GLY A 111 3.363 19.158 -4.725 1.00 74.02 O ATOM 0 H GLY A 111 0.492 20.867 -3.560 1.00 64.23 H new ATOM 0 HA2 GLY A 111 0.752 17.972 -3.810 1.00 63.25 H new ATOM 0 HA3 GLY A 111 0.927 18.869 -5.305 1.00 63.25 H new ATOM 1678 N VAL A 112 2.732 19.594 -2.612 1.00 73.14 N ATOM 1679 CA VAL A 112 4.093 19.882 -2.146 1.00 32.34 C ATOM 1680 C VAL A 112 4.830 18.588 -1.740 1.00 51.43 C ATOM 1681 O VAL A 112 4.371 17.850 -0.859 1.00 31.52 O ATOM 1682 CB VAL A 112 4.076 20.871 -0.949 1.00 43.22 C ATOM 1683 CG1 VAL A 112 5.496 21.191 -0.478 1.00 2.41 C ATOM 1684 CG2 VAL A 112 3.325 22.153 -1.315 1.00 54.41 C ATOM 0 H VAL A 112 2.014 19.686 -1.893 1.00 73.14 H new ATOM 0 HA VAL A 112 4.628 20.343 -2.976 1.00 32.34 H new ATOM 0 HB VAL A 112 3.550 20.390 -0.125 1.00 43.22 H new ATOM 0 HG11 VAL A 112 5.453 21.886 0.361 1.00 2.41 H new ATOM 0 HG12 VAL A 112 5.991 20.272 -0.163 1.00 2.41 H new ATOM 0 HG13 VAL A 112 6.057 21.644 -1.296 1.00 2.41 H new ATOM 0 HG21 VAL A 112 3.326 22.831 -0.462 1.00 54.41 H new ATOM 0 HG22 VAL A 112 3.816 22.634 -2.161 1.00 54.41 H new ATOM 0 HG23 VAL A 112 2.297 21.909 -1.583 1.00 54.41 H new ATOM 1694 N PRO A 113 5.989 18.298 -2.370 1.00 22.15 N ATOM 1695 CA PRO A 113 6.746 17.056 -2.111 1.00 61.41 C ATOM 1696 C PRO A 113 7.223 16.932 -0.654 1.00 13.14 C ATOM 1697 O PRO A 113 7.938 17.797 -0.145 1.00 40.50 O ATOM 1698 CB PRO A 113 7.944 17.158 -3.072 1.00 61.21 C ATOM 1699 CG PRO A 113 8.066 18.613 -3.384 1.00 31.44 C ATOM 1700 CD PRO A 113 6.661 19.152 -3.370 1.00 14.03 C ATOM 0 HA PRO A 113 6.129 16.171 -2.269 1.00 61.41 H new ATOM 0 HB2 PRO A 113 8.854 16.776 -2.610 1.00 61.21 H new ATOM 0 HB3 PRO A 113 7.776 16.573 -3.976 1.00 61.21 H new ATOM 0 HG2 PRO A 113 8.687 19.121 -2.646 1.00 31.44 H new ATOM 0 HG3 PRO A 113 8.535 18.767 -4.356 1.00 31.44 H new ATOM 0 HD2 PRO A 113 6.635 20.204 -3.086 1.00 14.03 H new ATOM 0 HD3 PRO A 113 6.189 19.075 -4.349 1.00 14.03 H new ATOM 1708 N GLY A 114 6.816 15.852 0.013 1.00 33.20 N ATOM 1709 CA GLY A 114 7.208 15.623 1.401 1.00 43.44 C ATOM 1710 C GLY A 114 6.714 16.697 2.370 1.00 62.21 C ATOM 1711 O GLY A 114 7.334 16.937 3.403 1.00 53.10 O ATOM 0 H GLY A 114 6.219 15.127 -0.384 1.00 33.20 H new ATOM 0 HA2 GLY A 114 6.824 14.654 1.721 1.00 43.44 H new ATOM 0 HA3 GLY A 114 8.295 15.570 1.457 1.00 43.44 H new ATOM 1715 N THR A 115 5.597 17.347 2.040 1.00 53.24 N ATOM 1716 CA THR A 115 5.036 18.407 2.898 1.00 11.31 C ATOM 1717 C THR A 115 4.599 17.881 4.272 1.00 2.20 C ATOM 1718 O THR A 115 4.680 18.597 5.271 1.00 54.10 O ATOM 1719 CB THR A 115 3.828 19.111 2.239 1.00 54.41 C ATOM 1720 OG1 THR A 115 3.314 20.133 3.111 1.00 70.41 O ATOM 1721 CG2 THR A 115 2.714 18.121 1.903 1.00 32.01 C ATOM 0 H THR A 115 5.061 17.164 1.191 1.00 53.24 H new ATOM 0 HA THR A 115 5.847 19.123 3.031 1.00 11.31 H new ATOM 0 HB THR A 115 4.177 19.561 1.309 1.00 54.41 H new ATOM 0 HG1 THR A 115 2.550 20.574 2.684 1.00 70.41 H new ATOM 0 HG21 THR A 115 1.882 18.653 1.441 1.00 32.01 H new ATOM 0 HG22 THR A 115 3.092 17.368 1.211 1.00 32.01 H new ATOM 0 HG23 THR A 115 2.372 17.635 2.816 1.00 32.01 H new ATOM 1729 N ASN A 116 4.139 16.633 4.316 1.00 73.45 N ATOM 1730 CA ASN A 116 3.642 16.028 5.558 1.00 13.41 C ATOM 1731 C ASN A 116 4.341 14.685 5.832 1.00 75.31 C ATOM 1732 O ASN A 116 4.480 13.863 4.926 1.00 60.35 O ATOM 1733 CB ASN A 116 2.123 15.810 5.468 1.00 74.24 C ATOM 1734 CG ASN A 116 1.353 17.099 5.238 1.00 33.32 C ATOM 1735 OD1 ASN A 116 1.775 18.172 5.647 1.00 44.41 O ATOM 1736 ND2 ASN A 116 0.216 17.006 4.582 1.00 55.02 N ATOM 0 H ASN A 116 4.098 16.016 3.505 1.00 73.45 H new ATOM 0 HA ASN A 116 3.863 16.709 6.379 1.00 13.41 H new ATOM 0 HB2 ASN A 116 1.908 15.115 4.656 1.00 74.24 H new ATOM 0 HB3 ASN A 116 1.773 15.343 6.389 1.00 74.24 H new ATOM 0 HD21 ASN A 116 -0.339 17.843 4.402 1.00 55.02 H new ATOM 0 HD22 ASN A 116 -0.110 16.097 4.253 1.00 55.02 H new ATOM 1743 N PRO A 117 4.772 14.434 7.088 1.00 53.33 N ATOM 1744 CA PRO A 117 5.438 13.167 7.468 1.00 42.42 C ATOM 1745 C PRO A 117 4.622 11.923 7.078 1.00 14.33 C ATOM 1746 O PRO A 117 5.178 10.854 6.819 1.00 21.32 O ATOM 1747 CB PRO A 117 5.562 13.274 8.995 1.00 3.53 C ATOM 1748 CG PRO A 117 5.555 14.741 9.274 1.00 33.04 C ATOM 1749 CD PRO A 117 4.655 15.356 8.234 1.00 31.14 C ATOM 0 HA PRO A 117 6.392 13.044 6.955 1.00 42.42 H new ATOM 0 HB2 PRO A 117 4.734 12.772 9.496 1.00 3.53 H new ATOM 0 HB3 PRO A 117 6.480 12.807 9.351 1.00 3.53 H new ATOM 0 HG2 PRO A 117 5.187 14.945 10.279 1.00 33.04 H new ATOM 0 HG3 PRO A 117 6.562 15.155 9.213 1.00 33.04 H new ATOM 0 HD2 PRO A 117 3.626 15.430 8.586 1.00 31.14 H new ATOM 0 HD3 PRO A 117 4.975 16.364 7.972 1.00 31.14 H new ATOM 1757 N VAL A 118 3.298 12.080 7.021 1.00 24.53 N ATOM 1758 CA VAL A 118 2.394 10.984 6.645 1.00 63.31 C ATOM 1759 C VAL A 118 2.743 10.403 5.262 1.00 23.33 C ATOM 1760 O VAL A 118 2.514 9.221 4.999 1.00 21.42 O ATOM 1761 CB VAL A 118 0.918 11.449 6.648 1.00 2.31 C ATOM 1762 CG1 VAL A 118 -0.020 10.274 6.386 1.00 21.25 C ATOM 1763 CG2 VAL A 118 0.569 12.141 7.965 1.00 22.23 C ATOM 0 H VAL A 118 2.824 12.958 7.231 1.00 24.53 H new ATOM 0 HA VAL A 118 2.525 10.202 7.393 1.00 63.31 H new ATOM 0 HB VAL A 118 0.788 12.172 5.842 1.00 2.31 H new ATOM 0 HG11 VAL A 118 -1.052 10.624 6.393 1.00 21.25 H new ATOM 0 HG12 VAL A 118 0.208 9.836 5.414 1.00 21.25 H new ATOM 0 HG13 VAL A 118 0.113 9.522 7.164 1.00 21.25 H new ATOM 0 HG21 VAL A 118 -0.473 12.459 7.944 1.00 22.23 H new ATOM 0 HG22 VAL A 118 0.720 11.447 8.792 1.00 22.23 H new ATOM 0 HG23 VAL A 118 1.211 13.011 8.100 1.00 22.23 H new ATOM 1773 N LEU A 119 3.309 11.235 4.386 1.00 25.32 N ATOM 1774 CA LEU A 119 3.751 10.782 3.062 1.00 74.11 C ATOM 1775 C LEU A 119 4.860 9.726 3.187 1.00 20.04 C ATOM 1776 O LEU A 119 4.920 8.770 2.410 1.00 21.32 O ATOM 1777 CB LEU A 119 4.245 11.975 2.229 1.00 44.32 C ATOM 1778 CG LEU A 119 3.198 13.075 1.976 1.00 65.10 C ATOM 1779 CD1 LEU A 119 3.801 14.225 1.171 1.00 42.25 C ATOM 1780 CD2 LEU A 119 1.974 12.498 1.267 1.00 5.41 C ATOM 0 H LEU A 119 3.473 12.225 4.567 1.00 25.32 H new ATOM 0 HA LEU A 119 2.900 10.326 2.556 1.00 74.11 H new ATOM 0 HB2 LEU A 119 5.102 12.420 2.734 1.00 44.32 H new ATOM 0 HB3 LEU A 119 4.599 11.604 1.267 1.00 44.32 H new ATOM 0 HG LEU A 119 2.879 13.471 2.940 1.00 65.10 H new ATOM 0 HD11 LEU A 119 3.042 14.990 1.005 1.00 42.25 H new ATOM 0 HD12 LEU A 119 4.636 14.656 1.722 1.00 42.25 H new ATOM 0 HD13 LEU A 119 4.155 13.850 0.211 1.00 42.25 H new ATOM 0 HD21 LEU A 119 1.245 13.290 1.097 1.00 5.41 H new ATOM 0 HD22 LEU A 119 2.275 12.071 0.311 1.00 5.41 H new ATOM 0 HD23 LEU A 119 1.527 11.721 1.887 1.00 5.41 H new ATOM 1792 N ASN A 120 5.725 9.901 4.185 1.00 54.43 N ATOM 1793 CA ASN A 120 6.777 8.924 4.481 1.00 72.14 C ATOM 1794 C ASN A 120 6.164 7.647 5.086 1.00 51.55 C ATOM 1795 O ASN A 120 6.653 6.544 4.859 1.00 52.05 O ATOM 1796 CB ASN A 120 7.809 9.530 5.441 1.00 23.54 C ATOM 1797 CG ASN A 120 8.995 8.611 5.696 1.00 61.32 C ATOM 1798 OD1 ASN A 120 9.409 7.846 4.829 1.00 64.22 O ATOM 1799 ND2 ASN A 120 9.551 8.681 6.886 1.00 44.33 N ATOM 0 H ASN A 120 5.720 10.711 4.805 1.00 54.43 H new ATOM 0 HA ASN A 120 7.281 8.659 3.552 1.00 72.14 H new ATOM 0 HB2 ASN A 120 8.169 10.473 5.030 1.00 23.54 H new ATOM 0 HB3 ASN A 120 7.324 9.760 6.390 1.00 23.54 H new ATOM 0 HD21 ASN A 120 10.351 8.089 7.111 1.00 44.33 H new ATOM 0 HD22 ASN A 120 9.183 9.327 7.584 1.00 44.33 H new ATOM 1806 N ASN A 121 5.085 7.810 5.858 1.00 25.32 N ATOM 1807 CA ASN A 121 4.338 6.664 6.396 1.00 41.41 C ATOM 1808 C ASN A 121 3.763 5.812 5.254 1.00 62.34 C ATOM 1809 O ASN A 121 3.897 4.588 5.257 1.00 71.50 O ATOM 1810 CB ASN A 121 3.212 7.133 7.330 1.00 52.23 C ATOM 1811 CG ASN A 121 3.744 7.815 8.578 1.00 45.51 C ATOM 1812 OD1 ASN A 121 4.829 7.501 9.058 1.00 43.11 O ATOM 1813 ND2 ASN A 121 2.979 8.741 9.126 1.00 55.03 N ATOM 0 H ASN A 121 4.709 8.720 6.125 1.00 25.32 H new ATOM 0 HA ASN A 121 5.030 6.052 6.975 1.00 41.41 H new ATOM 0 HB2 ASN A 121 2.560 7.822 6.792 1.00 52.23 H new ATOM 0 HB3 ASN A 121 2.602 6.277 7.619 1.00 52.23 H new ATOM 0 HD21 ASN A 121 3.285 9.219 9.974 1.00 55.03 H new ATOM 0 HD22 ASN A 121 2.082 8.979 8.702 1.00 55.03 H new ATOM 1820 N LEU A 122 3.129 6.467 4.276 1.00 72.32 N ATOM 1821 CA LEU A 122 2.666 5.785 3.058 1.00 24.52 C ATOM 1822 C LEU A 122 3.826 5.080 2.349 1.00 65.31 C ATOM 1823 O LEU A 122 3.728 3.904 2.002 1.00 32.52 O ATOM 1824 CB LEU A 122 2.001 6.775 2.088 1.00 22.42 C ATOM 1825 CG LEU A 122 0.572 7.205 2.446 1.00 1.44 C ATOM 1826 CD1 LEU A 122 0.041 8.207 1.426 1.00 3.22 C ATOM 1827 CD2 LEU A 122 -0.344 5.988 2.520 1.00 35.13 C ATOM 0 H LEU A 122 2.924 7.466 4.302 1.00 72.32 H new ATOM 0 HA LEU A 122 1.931 5.041 3.364 1.00 24.52 H new ATOM 0 HB2 LEU A 122 2.624 7.667 2.026 1.00 22.42 H new ATOM 0 HB3 LEU A 122 1.987 6.327 1.095 1.00 22.42 H new ATOM 0 HG LEU A 122 0.592 7.687 3.423 1.00 1.44 H new ATOM 0 HD11 LEU A 122 -0.973 8.500 1.697 1.00 3.22 H new ATOM 0 HD12 LEU A 122 0.682 9.088 1.414 1.00 3.22 H new ATOM 0 HD13 LEU A 122 0.034 7.750 0.436 1.00 3.22 H new ATOM 0 HD21 LEU A 122 -1.354 6.308 2.775 1.00 35.13 H new ATOM 0 HD22 LEU A 122 -0.356 5.483 1.554 1.00 35.13 H new ATOM 0 HD23 LEU A 122 0.023 5.302 3.284 1.00 35.13 H new ATOM 1839 N LEU A 123 4.921 5.808 2.138 1.00 2.23 N ATOM 1840 CA LEU A 123 6.125 5.246 1.512 1.00 55.32 C ATOM 1841 C LEU A 123 6.586 3.978 2.245 1.00 24.03 C ATOM 1842 O LEU A 123 6.823 2.940 1.627 1.00 62.11 O ATOM 1843 CB LEU A 123 7.246 6.295 1.509 1.00 23.14 C ATOM 1844 CG LEU A 123 8.557 5.871 0.826 1.00 72.43 C ATOM 1845 CD1 LEU A 123 8.328 5.570 -0.654 1.00 44.12 C ATOM 1846 CD2 LEU A 123 9.625 6.948 0.998 1.00 34.33 C ATOM 0 H LEU A 123 5.003 6.793 2.391 1.00 2.23 H new ATOM 0 HA LEU A 123 5.885 4.972 0.485 1.00 55.32 H new ATOM 0 HB2 LEU A 123 6.876 7.194 1.016 1.00 23.14 H new ATOM 0 HB3 LEU A 123 7.467 6.566 2.541 1.00 23.14 H new ATOM 0 HG LEU A 123 8.909 4.958 1.306 1.00 72.43 H new ATOM 0 HD11 LEU A 123 9.270 5.272 -1.115 1.00 44.12 H new ATOM 0 HD12 LEU A 123 7.604 4.761 -0.753 1.00 44.12 H new ATOM 0 HD13 LEU A 123 7.946 6.461 -1.152 1.00 44.12 H new ATOM 0 HD21 LEU A 123 10.545 6.630 0.508 1.00 34.33 H new ATOM 0 HD22 LEU A 123 9.278 7.879 0.549 1.00 34.33 H new ATOM 0 HD23 LEU A 123 9.815 7.106 2.060 1.00 34.33 H new ATOM 1858 N SER A 124 6.686 4.070 3.569 1.00 32.52 N ATOM 1859 CA SER A 124 7.098 2.936 4.405 1.00 55.05 C ATOM 1860 C SER A 124 6.102 1.767 4.303 1.00 31.32 C ATOM 1861 O SER A 124 6.500 0.599 4.283 1.00 44.14 O ATOM 1862 CB SER A 124 7.247 3.376 5.869 1.00 0.51 C ATOM 1863 OG SER A 124 7.758 2.325 6.673 1.00 13.34 O ATOM 0 H SER A 124 6.487 4.922 4.092 1.00 32.52 H new ATOM 0 HA SER A 124 8.063 2.588 4.036 1.00 55.05 H new ATOM 0 HB2 SER A 124 7.913 4.237 5.926 1.00 0.51 H new ATOM 0 HB3 SER A 124 6.279 3.695 6.256 1.00 0.51 H new ATOM 0 HG SER A 124 7.844 2.634 7.599 1.00 13.34 H new ATOM 1869 N CYS A 125 4.809 2.088 4.235 1.00 40.41 N ATOM 1870 CA CYS A 125 3.762 1.071 4.055 1.00 74.31 C ATOM 1871 C CYS A 125 3.920 0.344 2.709 1.00 64.32 C ATOM 1872 O CYS A 125 3.920 -0.885 2.651 1.00 53.53 O ATOM 1873 CB CYS A 125 2.366 1.709 4.138 1.00 54.34 C ATOM 1874 SG CYS A 125 1.976 2.460 5.739 1.00 24.34 S ATOM 0 H CYS A 125 4.458 3.043 4.301 1.00 40.41 H new ATOM 0 HA CYS A 125 3.870 0.342 4.858 1.00 74.31 H new ATOM 0 HB2 CYS A 125 2.283 2.471 3.364 1.00 54.34 H new ATOM 0 HB3 CYS A 125 1.619 0.947 3.917 1.00 54.34 H new ATOM 0 HG CYS A 125 2.728 3.504 5.923 1.00 24.34 H new ATOM 1880 N VAL A 126 4.069 1.118 1.634 1.00 53.33 N ATOM 1881 CA VAL A 126 4.228 0.565 0.279 1.00 5.23 C ATOM 1882 C VAL A 126 5.495 -0.295 0.158 1.00 34.14 C ATOM 1883 O VAL A 126 5.457 -1.406 -0.385 1.00 63.41 O ATOM 1884 CB VAL A 126 4.276 1.691 -0.786 1.00 71.23 C ATOM 1885 CG1 VAL A 126 4.461 1.112 -2.190 1.00 31.11 C ATOM 1886 CG2 VAL A 126 3.010 2.542 -0.715 1.00 51.33 C ATOM 0 H VAL A 126 4.084 2.137 1.671 1.00 53.33 H new ATOM 0 HA VAL A 126 3.358 -0.066 0.099 1.00 5.23 H new ATOM 0 HB VAL A 126 5.135 2.327 -0.572 1.00 71.23 H new ATOM 0 HG11 VAL A 126 4.491 1.923 -2.917 1.00 31.11 H new ATOM 0 HG12 VAL A 126 5.395 0.552 -2.232 1.00 31.11 H new ATOM 0 HG13 VAL A 126 3.629 0.448 -2.422 1.00 31.11 H new ATOM 0 HG21 VAL A 126 3.058 3.328 -1.468 1.00 51.33 H new ATOM 0 HG22 VAL A 126 2.139 1.914 -0.901 1.00 51.33 H new ATOM 0 HG23 VAL A 126 2.929 2.992 0.275 1.00 51.33 H new ATOM 1896 N GLN A 127 6.617 0.223 0.658 1.00 63.04 N ATOM 1897 CA GLN A 127 7.883 -0.519 0.654 1.00 20.54 C ATOM 1898 C GLN A 127 7.736 -1.855 1.398 1.00 75.20 C ATOM 1899 O GLN A 127 8.294 -2.871 0.982 1.00 50.13 O ATOM 1900 CB GLN A 127 9.000 0.320 1.294 1.00 43.20 C ATOM 1901 CG GLN A 127 9.315 1.611 0.540 1.00 74.13 C ATOM 1902 CD GLN A 127 10.359 2.470 1.237 1.00 40.34 C ATOM 1903 OE1 GLN A 127 10.492 2.445 2.459 1.00 25.33 O ATOM 1904 NE2 GLN A 127 11.099 3.244 0.469 1.00 13.25 N ATOM 0 H GLN A 127 6.677 1.153 1.072 1.00 63.04 H new ATOM 0 HA GLN A 127 8.149 -0.728 -0.382 1.00 20.54 H new ATOM 0 HB2 GLN A 127 8.714 0.568 2.316 1.00 43.20 H new ATOM 0 HB3 GLN A 127 9.905 -0.284 1.354 1.00 43.20 H new ATOM 0 HG2 GLN A 127 9.667 1.363 -0.461 1.00 74.13 H new ATOM 0 HG3 GLN A 127 8.398 2.189 0.422 1.00 74.13 H new ATOM 0 HE21 GLN A 127 10.962 3.240 -0.542 1.00 13.25 H new ATOM 0 HE22 GLN A 127 11.809 3.847 0.885 1.00 13.25 H new ATOM 1913 N GLU A 128 6.976 -1.843 2.494 1.00 63.22 N ATOM 1914 CA GLU A 128 6.700 -3.060 3.261 1.00 45.42 C ATOM 1915 C GLU A 128 5.851 -4.047 2.441 1.00 4.14 C ATOM 1916 O GLU A 128 6.242 -5.194 2.250 1.00 73.12 O ATOM 1917 CB GLU A 128 5.980 -2.704 4.574 1.00 51.04 C ATOM 1918 CG GLU A 128 5.846 -3.867 5.560 1.00 2.23 C ATOM 1919 CD GLU A 128 7.191 -4.373 6.074 1.00 53.13 C ATOM 1920 OE1 GLU A 128 8.026 -3.540 6.487 1.00 43.21 O ATOM 1921 OE2 GLU A 128 7.414 -5.604 6.082 1.00 23.41 O ATOM 0 H GLU A 128 6.539 -1.002 2.872 1.00 63.22 H new ATOM 0 HA GLU A 128 7.650 -3.541 3.494 1.00 45.42 H new ATOM 0 HB2 GLU A 128 6.520 -1.892 5.061 1.00 51.04 H new ATOM 0 HB3 GLU A 128 4.985 -2.328 4.337 1.00 51.04 H new ATOM 0 HG2 GLU A 128 5.236 -3.550 6.406 1.00 2.23 H new ATOM 0 HG3 GLU A 128 5.317 -4.687 5.075 1.00 2.23 H new ATOM 1928 N ILE A 129 4.705 -3.580 1.933 1.00 72.02 N ATOM 1929 CA ILE A 129 3.789 -4.427 1.148 1.00 40.52 C ATOM 1930 C ILE A 129 4.508 -5.119 -0.025 1.00 23.10 C ATOM 1931 O ILE A 129 4.503 -6.347 -0.134 1.00 72.31 O ATOM 1932 CB ILE A 129 2.596 -3.598 0.597 1.00 40.32 C ATOM 1933 CG1 ILE A 129 1.770 -3.011 1.754 1.00 15.02 C ATOM 1934 CG2 ILE A 129 1.714 -4.448 -0.320 1.00 61.25 C ATOM 1935 CD1 ILE A 129 0.605 -2.151 1.307 1.00 13.53 C ATOM 0 H ILE A 129 4.386 -2.618 2.050 1.00 72.02 H new ATOM 0 HA ILE A 129 3.416 -5.194 1.827 1.00 40.52 H new ATOM 0 HB ILE A 129 2.998 -2.775 0.006 1.00 40.32 H new ATOM 0 HG12 ILE A 129 1.390 -3.829 2.367 1.00 15.02 H new ATOM 0 HG13 ILE A 129 2.426 -2.415 2.389 1.00 15.02 H new ATOM 0 HG21 ILE A 129 0.887 -3.843 -0.692 1.00 61.25 H new ATOM 0 HG22 ILE A 129 2.306 -4.810 -1.161 1.00 61.25 H new ATOM 0 HG23 ILE A 129 1.320 -5.297 0.239 1.00 61.25 H new ATOM 0 HD11 ILE A 129 0.074 -1.775 2.181 1.00 13.53 H new ATOM 0 HD12 ILE A 129 0.977 -1.311 0.720 1.00 13.53 H new ATOM 0 HD13 ILE A 129 -0.075 -2.747 0.698 1.00 13.53 H new ATOM 1947 N SER A 130 5.136 -4.322 -0.886 1.00 11.52 N ATOM 1948 CA SER A 130 5.864 -4.852 -2.052 1.00 31.44 C ATOM 1949 C SER A 130 6.970 -5.832 -1.629 1.00 42.52 C ATOM 1950 O SER A 130 7.249 -6.807 -2.328 1.00 73.51 O ATOM 1951 CB SER A 130 6.467 -3.702 -2.875 1.00 23.11 C ATOM 1952 OG SER A 130 7.291 -2.867 -2.072 1.00 13.31 O ATOM 0 H SER A 130 5.159 -3.306 -0.804 1.00 11.52 H new ATOM 0 HA SER A 130 5.148 -5.397 -2.668 1.00 31.44 H new ATOM 0 HB2 SER A 130 7.053 -4.110 -3.699 1.00 23.11 H new ATOM 0 HB3 SER A 130 5.666 -3.109 -3.316 1.00 23.11 H new ATOM 0 HG SER A 130 6.728 -2.313 -1.492 1.00 13.31 H new ATOM 1958 N ASP A 131 7.589 -5.564 -0.482 1.00 41.34 N ATOM 1959 CA ASP A 131 8.629 -6.436 0.073 1.00 71.51 C ATOM 1960 C ASP A 131 8.030 -7.740 0.648 1.00 21.01 C ATOM 1961 O ASP A 131 8.645 -8.805 0.571 1.00 55.33 O ATOM 1962 CB ASP A 131 9.416 -5.676 1.148 1.00 35.22 C ATOM 1963 CG ASP A 131 10.529 -6.508 1.749 1.00 72.34 C ATOM 1964 OD1 ASP A 131 11.609 -6.608 1.129 1.00 53.21 O ATOM 1965 OD2 ASP A 131 10.329 -7.065 2.844 1.00 30.21 O ATOM 0 H ASP A 131 7.388 -4.743 0.088 1.00 41.34 H new ATOM 0 HA ASP A 131 9.306 -6.722 -0.732 1.00 71.51 H new ATOM 0 HB2 ASP A 131 9.838 -4.771 0.712 1.00 35.22 H new ATOM 0 HB3 ASP A 131 8.734 -5.362 1.938 1.00 35.22 H new ATOM 1970 N VAL A 132 6.824 -7.655 1.218 1.00 40.40 N ATOM 1971 CA VAL A 132 6.135 -8.840 1.753 1.00 31.25 C ATOM 1972 C VAL A 132 5.781 -9.829 0.628 1.00 64.31 C ATOM 1973 O VAL A 132 5.797 -11.047 0.821 1.00 32.21 O ATOM 1974 CB VAL A 132 4.847 -8.466 2.539 1.00 41.35 C ATOM 1975 CG1 VAL A 132 4.092 -9.722 2.981 1.00 31.42 C ATOM 1976 CG2 VAL A 132 5.181 -7.596 3.752 1.00 54.02 C ATOM 0 H VAL A 132 6.304 -6.784 1.322 1.00 40.40 H new ATOM 0 HA VAL A 132 6.830 -9.315 2.446 1.00 31.25 H new ATOM 0 HB VAL A 132 4.204 -7.894 1.870 1.00 41.35 H new ATOM 0 HG11 VAL A 132 3.195 -9.433 3.529 1.00 31.42 H new ATOM 0 HG12 VAL A 132 3.810 -10.304 2.104 1.00 31.42 H new ATOM 0 HG13 VAL A 132 4.733 -10.324 3.625 1.00 31.42 H new ATOM 0 HG21 VAL A 132 4.263 -7.348 4.285 1.00 54.02 H new ATOM 0 HG22 VAL A 132 5.851 -8.141 4.417 1.00 54.02 H new ATOM 0 HG23 VAL A 132 5.667 -6.679 3.419 1.00 54.02 H new ATOM 1986 N VAL A 133 5.477 -9.296 -0.551 1.00 13.32 N ATOM 1987 CA VAL A 133 5.209 -10.123 -1.736 1.00 14.15 C ATOM 1988 C VAL A 133 6.478 -10.879 -2.193 1.00 65.13 C ATOM 1989 O VAL A 133 6.408 -11.814 -2.993 1.00 11.22 O ATOM 1990 CB VAL A 133 4.667 -9.251 -2.903 1.00 41.12 C ATOM 1991 CG1 VAL A 133 4.263 -10.106 -4.100 1.00 24.23 C ATOM 1992 CG2 VAL A 133 3.489 -8.394 -2.438 1.00 0.40 C ATOM 0 H VAL A 133 5.408 -8.292 -0.718 1.00 13.32 H new ATOM 0 HA VAL A 133 4.452 -10.857 -1.458 1.00 14.15 H new ATOM 0 HB VAL A 133 5.474 -8.591 -3.221 1.00 41.12 H new ATOM 0 HG11 VAL A 133 3.889 -9.463 -4.897 1.00 24.23 H new ATOM 0 HG12 VAL A 133 5.129 -10.662 -4.459 1.00 24.23 H new ATOM 0 HG13 VAL A 133 3.482 -10.805 -3.801 1.00 24.23 H new ATOM 0 HG21 VAL A 133 3.126 -7.792 -3.271 1.00 0.40 H new ATOM 0 HG22 VAL A 133 2.687 -9.040 -2.081 1.00 0.40 H new ATOM 0 HG23 VAL A 133 3.813 -7.738 -1.630 1.00 0.40 H new ATOM 2002 N GLN A 134 7.634 -10.479 -1.660 1.00 62.44 N ATOM 2003 CA GLN A 134 8.925 -11.075 -2.039 1.00 5.43 C ATOM 2004 C GLN A 134 9.459 -12.040 -0.963 1.00 42.01 C ATOM 2005 O GLN A 134 10.580 -12.539 -1.075 1.00 35.45 O ATOM 2006 CB GLN A 134 9.950 -9.959 -2.288 1.00 61.13 C ATOM 2007 CG GLN A 134 9.489 -8.916 -3.301 1.00 61.01 C ATOM 2008 CD GLN A 134 10.474 -7.772 -3.465 1.00 31.01 C ATOM 2009 OE1 GLN A 134 11.682 -7.946 -3.325 1.00 4.32 O ATOM 2010 NE2 GLN A 134 9.966 -6.588 -3.744 1.00 41.31 N ATOM 0 H GLN A 134 7.707 -9.741 -0.960 1.00 62.44 H new ATOM 0 HA GLN A 134 8.768 -11.654 -2.949 1.00 5.43 H new ATOM 0 HB2 GLN A 134 10.169 -9.462 -1.343 1.00 61.13 H new ATOM 0 HB3 GLN A 134 10.881 -10.405 -2.637 1.00 61.13 H new ATOM 0 HG2 GLN A 134 9.336 -9.398 -4.267 1.00 61.01 H new ATOM 0 HG3 GLN A 134 8.524 -8.516 -2.989 1.00 61.01 H new ATOM 0 HE21 GLN A 134 8.958 -6.479 -3.854 1.00 41.31 H new ATOM 0 HE22 GLN A 134 10.581 -5.781 -3.850 1.00 41.31 H new ATOM 2019 N ARG A 135 8.657 -12.305 0.073 1.00 52.42 N ATOM 2020 CA ARG A 135 9.073 -13.200 1.169 1.00 55.14 C ATOM 2021 C ARG A 135 9.086 -14.678 0.725 1.00 34.30 C ATOM 2022 O ARG A 135 10.178 -15.287 0.690 1.00 39.16 O ATOM 2023 CB ARG A 135 8.149 -13.033 2.387 1.00 45.40 C ATOM 2024 CG ARG A 135 8.009 -11.592 2.869 1.00 63.30 C ATOM 2025 CD ARG A 135 9.318 -11.014 3.399 1.00 62.13 C ATOM 2026 NE ARG A 135 9.207 -9.572 3.628 1.00 73.53 N ATOM 2027 CZ ARG A 135 8.868 -9.019 4.763 1.00 52.03 C ATOM 2028 NH1 ARG A 135 8.771 -9.720 5.845 1.00 65.14 N ATOM 2029 NH2 ARG A 135 8.689 -7.742 4.820 1.00 52.35 N ATOM 2030 OXT ARG A 135 8.004 -15.225 0.407 1.00 39.16 O ATOM 0 H ARG A 135 7.720 -11.917 0.180 1.00 52.42 H new ATOM 0 HA ARG A 135 10.089 -12.919 1.446 1.00 55.14 H new ATOM 0 HB2 ARG A 135 7.161 -13.418 2.136 1.00 45.40 H new ATOM 0 HB3 ARG A 135 8.531 -13.643 3.206 1.00 45.40 H new ATOM 0 HG2 ARG A 135 7.650 -10.972 2.047 1.00 63.30 H new ATOM 0 HG3 ARG A 135 7.254 -11.548 3.654 1.00 63.30 H new ATOM 0 HD2 ARG A 135 9.588 -11.513 4.330 1.00 62.13 H new ATOM 0 HD3 ARG A 135 10.120 -11.211 2.687 1.00 62.13 H new ATOM 0 HE ARG A 135 9.409 -8.953 2.843 1.00 73.53 H new ATOM 0 HH11 ARG A 135 8.960 -10.722 5.822 1.00 65.14 H new ATOM 0 HH12 ARG A 135 8.505 -9.271 6.721 1.00 65.14 H new ATOM 0 HH21 ARG A 135 8.812 -7.172 3.983 1.00 52.35 H new ATOM 0 HH22 ARG A 135 8.424 -7.303 5.702 1.00 52.35 H new