USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 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 107 SER OG : rot -102:sc= 0.579 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.64 K(o=1.2,f=-0.3) USER MOD Set 2.1: A 45 CYS SG : rot 89:sc= 0.925 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.09 K(o=0.17,f=0.88) USER MOD Set 2.3: A 72 TYR OH : rot -121:sc= 0.334 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+ -163:sc= -0.0417 (180deg=-0.293) USER MOD Single : A 50 SER OG : rot -38:sc= 1.15 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -5:sc= 1.27 USER MOD Single : A 59 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.83) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 65 THR OG1 : rot 79:sc= 0.0697 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot 83:sc= 0.153 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.14! C(o=-1.1!,f=-4.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 63:sc= 0.648 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0.843 (180deg=0.817) USER MOD Single : A 99 SER OG : rot 170:sc= -0.367 USER MOD Single : A 101 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.86) USER MOD Single : A 104 GLN : amide:sc= -1.03 K(o=-1,f=-0.45) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00283 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 121 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.72) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 74:sc= -2.43! USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 130 SER OG : rot -76:sc= 0.453 USER MOD Single : A 134 GLN : amide:sc= 0.0669 X(o=0.067,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -9.257 -10.741 -10.896 1.00 14.33 N ATOM 529 CA LYS A 36 -8.726 -9.675 -11.752 1.00 32.42 C ATOM 530 C LYS A 36 -7.416 -9.129 -11.154 1.00 64.43 C ATOM 531 O LYS A 36 -6.613 -8.490 -11.837 1.00 34.20 O ATOM 532 CB LYS A 36 -9.793 -8.567 -11.907 1.00 15.21 C ATOM 533 CG LYS A 36 -9.407 -7.396 -12.819 1.00 32.41 C ATOM 534 CD LYS A 36 -8.698 -6.274 -12.059 1.00 74.14 C ATOM 535 CE LYS A 36 -8.361 -5.103 -12.970 1.00 62.21 C ATOM 536 NZ LYS A 36 -7.684 -4.005 -12.234 1.00 43.03 N ATOM 0 HA LYS A 36 -8.497 -10.067 -12.743 1.00 32.42 H new ATOM 0 HB2 LYS A 36 -10.706 -9.019 -12.294 1.00 15.21 H new ATOM 0 HB3 LYS A 36 -10.027 -8.172 -10.918 1.00 15.21 H new ATOM 0 HG2 LYS A 36 -8.757 -7.758 -13.616 1.00 32.41 H new ATOM 0 HG3 LYS A 36 -10.304 -6.999 -13.295 1.00 32.41 H new ATOM 0 HD2 LYS A 36 -9.333 -5.929 -11.243 1.00 74.14 H new ATOM 0 HD3 LYS A 36 -7.783 -6.660 -11.609 1.00 74.14 H new ATOM 0 HE2 LYS A 36 -7.718 -5.447 -13.780 1.00 62.21 H new ATOM 0 HE3 LYS A 36 -9.275 -4.724 -13.427 1.00 62.21 H new ATOM 0 HZ1 LYS A 36 -7.471 -3.227 -12.890 1.00 43.03 H new ATOM 0 HZ2 LYS A 36 -8.307 -3.659 -11.477 1.00 43.03 H new ATOM 0 HZ3 LYS A 36 -6.799 -4.359 -11.819 1.00 43.03 H new ATOM 550 N ILE A 37 -7.207 -9.400 -9.865 1.00 23.21 N ATOM 551 CA ILE A 37 -5.980 -9.014 -9.170 1.00 25.33 C ATOM 552 C ILE A 37 -4.852 -10.025 -9.441 1.00 5.11 C ATOM 553 O ILE A 37 -5.088 -11.232 -9.492 1.00 32.43 O ATOM 554 CB ILE A 37 -6.206 -8.927 -7.639 1.00 50.32 C ATOM 555 CG1 ILE A 37 -7.436 -8.059 -7.319 1.00 65.24 C ATOM 556 CG2 ILE A 37 -4.958 -8.387 -6.942 1.00 72.23 C ATOM 557 CD1 ILE A 37 -7.383 -6.660 -7.897 1.00 31.21 C ATOM 0 H ILE A 37 -7.880 -9.891 -9.277 1.00 23.21 H new ATOM 0 HA ILE A 37 -5.694 -8.034 -9.551 1.00 25.33 H new ATOM 0 HB ILE A 37 -6.397 -9.932 -7.261 1.00 50.32 H new ATOM 0 HG12 ILE A 37 -8.327 -8.561 -7.696 1.00 65.24 H new ATOM 0 HG13 ILE A 37 -7.543 -7.988 -6.237 1.00 65.24 H new ATOM 0 HG21 ILE A 37 -5.136 -8.333 -5.868 1.00 72.23 H new ATOM 0 HG22 ILE A 37 -4.116 -9.051 -7.138 1.00 72.23 H new ATOM 0 HG23 ILE A 37 -4.731 -7.391 -7.323 1.00 72.23 H new ATOM 0 HD11 ILE A 37 -8.289 -6.119 -7.623 1.00 31.21 H new ATOM 0 HD12 ILE A 37 -6.513 -6.136 -7.502 1.00 31.21 H new ATOM 0 HD13 ILE A 37 -7.309 -6.718 -8.983 1.00 31.21 H new ATOM 569 N SER A 38 -3.628 -9.534 -9.620 1.00 24.41 N ATOM 570 CA SER A 38 -2.472 -10.411 -9.870 1.00 63.51 C ATOM 571 C SER A 38 -1.193 -9.851 -9.236 1.00 53.32 C ATOM 572 O SER A 38 -1.044 -8.638 -9.085 1.00 54.11 O ATOM 573 CB SER A 38 -2.260 -10.607 -11.378 1.00 1.43 C ATOM 574 OG SER A 38 -3.381 -11.242 -11.979 1.00 72.33 O ATOM 0 H SER A 38 -3.405 -8.539 -9.598 1.00 24.41 H new ATOM 0 HA SER A 38 -2.688 -11.375 -9.409 1.00 63.51 H new ATOM 0 HB2 SER A 38 -2.089 -9.640 -11.852 1.00 1.43 H new ATOM 0 HB3 SER A 38 -1.366 -11.207 -11.547 1.00 1.43 H new ATOM 0 HG SER A 38 -3.219 -11.352 -12.939 1.00 72.33 H new ATOM 580 N LYS A 39 -0.275 -10.750 -8.885 1.00 44.11 N ATOM 581 CA LYS A 39 0.999 -10.388 -8.246 1.00 35.02 C ATOM 582 C LYS A 39 1.723 -9.248 -8.988 1.00 11.31 C ATOM 583 O LYS A 39 1.997 -8.197 -8.406 1.00 65.52 O ATOM 584 CB LYS A 39 1.898 -11.631 -8.156 1.00 14.14 C ATOM 585 CG LYS A 39 3.349 -11.334 -7.793 1.00 40.54 C ATOM 586 CD LYS A 39 4.152 -12.617 -7.581 1.00 73.24 C ATOM 587 CE LYS A 39 5.644 -12.336 -7.465 1.00 44.33 C ATOM 588 NZ LYS A 39 6.206 -11.802 -8.736 1.00 24.31 N ATOM 0 H LYS A 39 -0.389 -11.753 -9.034 1.00 44.11 H new ATOM 0 HA LYS A 39 0.779 -10.020 -7.244 1.00 35.02 H new ATOM 0 HB2 LYS A 39 1.482 -12.312 -7.413 1.00 14.14 H new ATOM 0 HB3 LYS A 39 1.875 -12.151 -9.114 1.00 14.14 H new ATOM 0 HG2 LYS A 39 3.809 -10.743 -8.585 1.00 40.54 H new ATOM 0 HG3 LYS A 39 3.381 -10.730 -6.886 1.00 40.54 H new ATOM 0 HD2 LYS A 39 3.805 -13.118 -6.677 1.00 73.24 H new ATOM 0 HD3 LYS A 39 3.974 -13.299 -8.412 1.00 73.24 H new ATOM 0 HE2 LYS A 39 5.818 -11.620 -6.662 1.00 44.33 H new ATOM 0 HE3 LYS A 39 6.167 -13.253 -7.193 1.00 44.33 H new ATOM 0 HZ1 LYS A 39 7.242 -11.893 -8.723 1.00 24.31 H new ATOM 0 HZ2 LYS A 39 5.822 -12.340 -9.539 1.00 24.31 H new ATOM 0 HZ3 LYS A 39 5.948 -10.800 -8.836 1.00 24.31 H new ATOM 602 N GLU A 40 2.025 -9.461 -10.267 1.00 63.31 N ATOM 603 CA GLU A 40 2.694 -8.443 -11.088 1.00 42.24 C ATOM 604 C GLU A 40 1.934 -7.102 -11.074 1.00 70.31 C ATOM 605 O GLU A 40 2.531 -6.044 -10.878 1.00 54.10 O ATOM 606 CB GLU A 40 2.858 -8.959 -12.527 1.00 35.03 C ATOM 607 CG GLU A 40 1.554 -9.421 -13.175 1.00 72.13 C ATOM 608 CD GLU A 40 1.765 -10.072 -14.534 1.00 64.32 C ATOM 609 OE1 GLU A 40 2.253 -11.222 -14.578 1.00 52.20 O ATOM 610 OE2 GLU A 40 1.443 -9.442 -15.561 1.00 62.23 O ATOM 0 H GLU A 40 1.819 -10.329 -10.762 1.00 63.31 H new ATOM 0 HA GLU A 40 3.678 -8.258 -10.658 1.00 42.24 H new ATOM 0 HB2 GLU A 40 3.295 -8.169 -13.138 1.00 35.03 H new ATOM 0 HB3 GLU A 40 3.565 -9.789 -12.526 1.00 35.03 H new ATOM 0 HG2 GLU A 40 1.056 -10.129 -12.512 1.00 72.13 H new ATOM 0 HG3 GLU A 40 0.887 -8.566 -13.287 1.00 72.13 H new ATOM 617 N ALA A 41 0.614 -7.158 -11.248 1.00 4.15 N ATOM 618 CA ALA A 41 -0.225 -5.955 -11.251 1.00 62.14 C ATOM 619 C ALA A 41 -0.134 -5.194 -9.917 1.00 60.22 C ATOM 620 O ALA A 41 -0.191 -3.965 -9.885 1.00 65.20 O ATOM 621 CB ALA A 41 -1.675 -6.324 -11.553 1.00 54.41 C ATOM 0 H ALA A 41 0.099 -8.027 -11.390 1.00 4.15 H new ATOM 0 HA ALA A 41 0.147 -5.294 -12.034 1.00 62.14 H new ATOM 0 HB1 ALA A 41 -2.288 -5.422 -11.552 1.00 54.41 H new ATOM 0 HB2 ALA A 41 -1.733 -6.801 -12.531 1.00 54.41 H new ATOM 0 HB3 ALA A 41 -2.042 -7.012 -10.791 1.00 54.41 H new ATOM 627 N LEU A 42 0.008 -5.934 -8.820 1.00 2.22 N ATOM 628 CA LEU A 42 0.140 -5.331 -7.490 1.00 42.34 C ATOM 629 C LEU A 42 1.517 -4.665 -7.331 1.00 15.41 C ATOM 630 O LEU A 42 1.615 -3.498 -6.944 1.00 12.13 O ATOM 631 CB LEU A 42 -0.085 -6.413 -6.409 1.00 22.32 C ATOM 632 CG LEU A 42 -0.247 -5.922 -4.950 1.00 1.24 C ATOM 633 CD1 LEU A 42 -0.915 -7.000 -4.092 1.00 65.32 C ATOM 634 CD2 LEU A 42 1.098 -5.527 -4.334 1.00 12.03 C ATOM 0 H LEU A 42 0.035 -6.954 -8.823 1.00 2.22 H new ATOM 0 HA LEU A 42 -0.616 -4.555 -7.370 1.00 42.34 H new ATOM 0 HB2 LEU A 42 -0.976 -6.980 -6.677 1.00 22.32 H new ATOM 0 HB3 LEU A 42 0.756 -7.106 -6.442 1.00 22.32 H new ATOM 0 HG LEU A 42 -0.882 -5.036 -4.973 1.00 1.24 H new ATOM 0 HD11 LEU A 42 -1.021 -6.637 -3.070 1.00 65.32 H new ATOM 0 HD12 LEU A 42 -1.900 -7.231 -4.499 1.00 65.32 H new ATOM 0 HD13 LEU A 42 -0.301 -7.900 -4.096 1.00 65.32 H new ATOM 0 HD21 LEU A 42 0.943 -5.188 -3.310 1.00 12.03 H new ATOM 0 HD22 LEU A 42 1.765 -6.389 -4.334 1.00 12.03 H new ATOM 0 HD23 LEU A 42 1.544 -4.723 -4.919 1.00 12.03 H new ATOM 646 N LEU A 43 2.577 -5.412 -7.645 1.00 72.24 N ATOM 647 CA LEU A 43 3.952 -4.915 -7.508 1.00 20.13 C ATOM 648 C LEU A 43 4.219 -3.690 -8.400 1.00 55.53 C ATOM 649 O LEU A 43 4.870 -2.733 -7.974 1.00 44.01 O ATOM 650 CB LEU A 43 4.952 -6.030 -7.837 1.00 44.32 C ATOM 651 CG LEU A 43 4.886 -7.265 -6.918 1.00 22.51 C ATOM 652 CD1 LEU A 43 5.915 -8.313 -7.335 1.00 51.22 C ATOM 653 CD2 LEU A 43 5.087 -6.866 -5.455 1.00 45.40 C ATOM 0 H LEU A 43 2.512 -6.367 -7.997 1.00 72.24 H new ATOM 0 HA LEU A 43 4.081 -4.601 -6.472 1.00 20.13 H new ATOM 0 HB2 LEU A 43 4.786 -6.353 -8.865 1.00 44.32 H new ATOM 0 HB3 LEU A 43 5.960 -5.617 -7.791 1.00 44.32 H new ATOM 0 HG LEU A 43 3.894 -7.705 -7.020 1.00 22.51 H new ATOM 0 HD11 LEU A 43 5.847 -9.174 -6.670 1.00 51.22 H new ATOM 0 HD12 LEU A 43 5.718 -8.629 -8.359 1.00 51.22 H new ATOM 0 HD13 LEU A 43 6.916 -7.885 -7.274 1.00 51.22 H new ATOM 0 HD21 LEU A 43 5.036 -7.754 -4.825 1.00 45.40 H new ATOM 0 HD22 LEU A 43 6.062 -6.393 -5.338 1.00 45.40 H new ATOM 0 HD23 LEU A 43 4.306 -6.166 -5.158 1.00 45.40 H new ATOM 665 N GLU A 44 3.723 -3.726 -9.637 1.00 4.22 N ATOM 666 CA GLU A 44 3.884 -2.603 -10.571 1.00 14.53 C ATOM 667 C GLU A 44 3.203 -1.329 -10.045 1.00 55.13 C ATOM 668 O GLU A 44 3.801 -0.252 -10.028 1.00 1.05 O ATOM 669 CB GLU A 44 3.312 -2.970 -11.949 1.00 24.24 C ATOM 670 CG GLU A 44 4.070 -4.087 -12.663 1.00 22.54 C ATOM 671 CD GLU A 44 5.507 -3.713 -12.986 1.00 43.14 C ATOM 672 OE1 GLU A 44 5.717 -2.895 -13.906 1.00 43.04 O ATOM 673 OE2 GLU A 44 6.432 -4.240 -12.334 1.00 40.22 O ATOM 0 H GLU A 44 3.206 -4.518 -10.019 1.00 4.22 H new ATOM 0 HA GLU A 44 4.951 -2.402 -10.664 1.00 14.53 H new ATOM 0 HB2 GLU A 44 2.271 -3.271 -11.830 1.00 24.24 H new ATOM 0 HB3 GLU A 44 3.317 -2.082 -12.580 1.00 24.24 H new ATOM 0 HG2 GLU A 44 4.064 -4.980 -12.038 1.00 22.54 H new ATOM 0 HG3 GLU A 44 3.549 -4.340 -13.587 1.00 22.54 H new ATOM 680 N CYS A 45 1.952 -1.457 -9.608 1.00 21.04 N ATOM 681 CA CYS A 45 1.206 -0.315 -9.062 1.00 60.50 C ATOM 682 C CYS A 45 1.837 0.199 -7.758 1.00 61.45 C ATOM 683 O CYS A 45 1.865 1.402 -7.506 1.00 32.52 O ATOM 684 CB CYS A 45 -0.261 -0.691 -8.829 1.00 74.10 C ATOM 685 SG CYS A 45 -1.158 -1.107 -10.347 1.00 31.11 S ATOM 0 H CYS A 45 1.432 -2.334 -9.619 1.00 21.04 H new ATOM 0 HA CYS A 45 1.252 0.489 -9.797 1.00 60.50 H new ATOM 0 HB2 CYS A 45 -0.305 -1.541 -8.147 1.00 74.10 H new ATOM 0 HB3 CYS A 45 -0.766 0.140 -8.336 1.00 74.10 H new ATOM 0 HG CYS A 45 -1.024 -2.376 -10.597 1.00 31.11 H new ATOM 691 N ALA A 46 2.352 -0.714 -6.937 1.00 54.50 N ATOM 692 CA ALA A 46 3.042 -0.336 -5.697 1.00 24.42 C ATOM 693 C ALA A 46 4.269 0.548 -5.982 1.00 64.55 C ATOM 694 O ALA A 46 4.552 1.499 -5.249 1.00 20.41 O ATOM 695 CB ALA A 46 3.453 -1.584 -4.920 1.00 74.30 C ATOM 0 H ALA A 46 2.307 -1.719 -7.104 1.00 54.50 H new ATOM 0 HA ALA A 46 2.348 0.246 -5.091 1.00 24.42 H new ATOM 0 HB1 ALA A 46 3.964 -1.290 -4.003 1.00 74.30 H new ATOM 0 HB2 ALA A 46 2.566 -2.166 -4.671 1.00 74.30 H new ATOM 0 HB3 ALA A 46 4.124 -2.188 -5.531 1.00 74.30 H new ATOM 701 N ASP A 47 4.991 0.231 -7.058 1.00 23.03 N ATOM 702 CA ASP A 47 6.161 1.017 -7.469 1.00 25.42 C ATOM 703 C ASP A 47 5.751 2.454 -7.856 1.00 13.34 C ATOM 704 O ASP A 47 6.517 3.406 -7.688 1.00 53.41 O ATOM 705 CB ASP A 47 6.865 0.320 -8.641 1.00 0.44 C ATOM 706 CG ASP A 47 8.248 0.887 -8.915 1.00 33.01 C ATOM 707 OD1 ASP A 47 8.356 1.875 -9.674 1.00 14.23 O ATOM 708 OD2 ASP A 47 9.235 0.347 -8.376 1.00 51.41 O ATOM 0 H ASP A 47 4.788 -0.565 -7.663 1.00 23.03 H new ATOM 0 HA ASP A 47 6.852 1.084 -6.629 1.00 25.42 H new ATOM 0 HB2 ASP A 47 6.949 -0.745 -8.427 1.00 0.44 H new ATOM 0 HB3 ASP A 47 6.253 0.418 -9.537 1.00 0.44 H new ATOM 713 N LEU A 48 4.530 2.604 -8.369 1.00 55.43 N ATOM 714 CA LEU A 48 3.986 3.929 -8.692 1.00 12.50 C ATOM 715 C LEU A 48 3.865 4.808 -7.439 1.00 22.24 C ATOM 716 O LEU A 48 4.109 6.012 -7.493 1.00 73.41 O ATOM 717 CB LEU A 48 2.616 3.796 -9.370 1.00 12.22 C ATOM 718 CG LEU A 48 2.647 3.253 -10.807 1.00 52.52 C ATOM 719 CD1 LEU A 48 1.230 3.054 -11.337 1.00 71.41 C ATOM 720 CD2 LEU A 48 3.437 4.197 -11.714 1.00 11.31 C ATOM 0 H LEU A 48 3.898 1.829 -8.570 1.00 55.43 H new ATOM 0 HA LEU A 48 4.681 4.411 -9.379 1.00 12.50 H new ATOM 0 HB2 LEU A 48 1.991 3.140 -8.764 1.00 12.22 H new ATOM 0 HB3 LEU A 48 2.136 4.775 -9.379 1.00 12.22 H new ATOM 0 HG LEU A 48 3.145 2.284 -10.801 1.00 52.52 H new ATOM 0 HD11 LEU A 48 1.273 2.669 -12.356 1.00 71.41 H new ATOM 0 HD12 LEU A 48 0.701 2.343 -10.703 1.00 71.41 H new ATOM 0 HD13 LEU A 48 0.702 4.008 -11.332 1.00 71.41 H new ATOM 0 HD21 LEU A 48 3.451 3.800 -12.729 1.00 11.31 H new ATOM 0 HD22 LEU A 48 2.965 5.180 -11.715 1.00 11.31 H new ATOM 0 HD23 LEU A 48 4.459 4.285 -11.345 1.00 11.31 H new ATOM 732 N LEU A 49 3.494 4.202 -6.313 1.00 12.33 N ATOM 733 CA LEU A 49 3.382 4.936 -5.048 1.00 44.12 C ATOM 734 C LEU A 49 4.751 5.434 -4.568 1.00 24.12 C ATOM 735 O LEU A 49 4.892 6.593 -4.185 1.00 3.04 O ATOM 736 CB LEU A 49 2.711 4.075 -3.964 1.00 74.31 C ATOM 737 CG LEU A 49 1.176 3.979 -4.060 1.00 20.23 C ATOM 738 CD1 LEU A 49 0.750 3.352 -5.382 1.00 2.44 C ATOM 739 CD2 LEU A 49 0.608 3.195 -2.879 1.00 74.21 C ATOM 0 H LEU A 49 3.266 3.210 -6.247 1.00 12.33 H new ATOM 0 HA LEU A 49 2.752 5.806 -5.232 1.00 44.12 H new ATOM 0 HB2 LEU A 49 3.126 3.068 -4.014 1.00 74.31 H new ATOM 0 HB3 LEU A 49 2.973 4.480 -2.987 1.00 74.31 H new ATOM 0 HG LEU A 49 0.772 4.991 -4.023 1.00 20.23 H new ATOM 0 HD11 LEU A 49 -0.338 3.296 -5.424 1.00 2.44 H new ATOM 0 HD12 LEU A 49 1.114 3.962 -6.208 1.00 2.44 H new ATOM 0 HD13 LEU A 49 1.168 2.349 -5.460 1.00 2.44 H new ATOM 0 HD21 LEU A 49 -0.477 3.140 -2.967 1.00 74.21 H new ATOM 0 HD22 LEU A 49 1.024 2.187 -2.877 1.00 74.21 H new ATOM 0 HD23 LEU A 49 0.871 3.698 -1.948 1.00 74.21 H new ATOM 751 N SER A 50 5.764 4.566 -4.604 1.00 15.52 N ATOM 752 CA SER A 50 7.129 4.967 -4.222 1.00 35.12 C ATOM 753 C SER A 50 7.625 6.121 -5.105 1.00 12.11 C ATOM 754 O SER A 50 8.217 7.085 -4.621 1.00 11.31 O ATOM 755 CB SER A 50 8.107 3.784 -4.319 1.00 10.30 C ATOM 756 OG SER A 50 8.294 3.369 -5.663 1.00 22.22 O ATOM 0 H SER A 50 5.672 3.591 -4.889 1.00 15.52 H new ATOM 0 HA SER A 50 7.092 5.302 -3.185 1.00 35.12 H new ATOM 0 HB2 SER A 50 9.067 4.069 -3.889 1.00 10.30 H new ATOM 0 HB3 SER A 50 7.729 2.949 -3.729 1.00 10.30 H new ATOM 0 HG SER A 50 7.443 3.427 -6.145 1.00 22.22 H new ATOM 762 N SER A 51 7.365 6.016 -6.406 1.00 34.13 N ATOM 763 CA SER A 51 7.719 7.076 -7.361 1.00 61.43 C ATOM 764 C SER A 51 6.959 8.381 -7.068 1.00 21.23 C ATOM 765 O SER A 51 7.556 9.453 -6.965 1.00 3.25 O ATOM 766 CB SER A 51 7.421 6.617 -8.794 1.00 1.01 C ATOM 767 OG SER A 51 7.701 7.641 -9.736 1.00 51.43 O ATOM 0 H SER A 51 6.909 5.207 -6.829 1.00 34.13 H new ATOM 0 HA SER A 51 8.786 7.273 -7.253 1.00 61.43 H new ATOM 0 HB2 SER A 51 8.017 5.735 -9.026 1.00 1.01 H new ATOM 0 HB3 SER A 51 6.374 6.324 -8.873 1.00 1.01 H new ATOM 0 HG SER A 51 7.503 7.317 -10.640 1.00 51.43 H new ATOM 773 N ALA A 52 5.646 8.273 -6.893 1.00 3.12 N ATOM 774 CA ALA A 52 4.787 9.445 -6.678 1.00 64.23 C ATOM 775 C ALA A 52 5.105 10.162 -5.354 1.00 64.04 C ATOM 776 O ALA A 52 5.126 11.391 -5.291 1.00 14.52 O ATOM 777 CB ALA A 52 3.318 9.031 -6.726 1.00 22.42 C ATOM 0 H ALA A 52 5.146 7.384 -6.895 1.00 3.12 H new ATOM 0 HA ALA A 52 4.988 10.154 -7.481 1.00 64.23 H new ATOM 0 HB1 ALA A 52 2.688 9.906 -6.566 1.00 22.42 H new ATOM 0 HB2 ALA A 52 3.094 8.596 -7.700 1.00 22.42 H new ATOM 0 HB3 ALA A 52 3.122 8.295 -5.946 1.00 22.42 H new ATOM 783 N LEU A 53 5.369 9.390 -4.300 1.00 10.01 N ATOM 784 CA LEU A 53 5.680 9.955 -2.979 1.00 34.24 C ATOM 785 C LEU A 53 7.032 10.692 -2.963 1.00 64.30 C ATOM 786 O LEU A 53 7.354 11.391 -2.000 1.00 41.21 O ATOM 787 CB LEU A 53 5.672 8.844 -1.916 1.00 65.34 C ATOM 788 CG LEU A 53 4.297 8.213 -1.639 1.00 25.14 C ATOM 789 CD1 LEU A 53 4.425 7.037 -0.677 1.00 13.13 C ATOM 790 CD2 LEU A 53 3.327 9.258 -1.090 1.00 45.02 C ATOM 0 H LEU A 53 5.375 8.370 -4.331 1.00 10.01 H new ATOM 0 HA LEU A 53 4.908 10.689 -2.749 1.00 34.24 H new ATOM 0 HB2 LEU A 53 6.358 8.058 -2.230 1.00 65.34 H new ATOM 0 HB3 LEU A 53 6.061 9.253 -0.983 1.00 65.34 H new ATOM 0 HG LEU A 53 3.898 7.837 -2.581 1.00 25.14 H new ATOM 0 HD11 LEU A 53 3.440 6.606 -0.496 1.00 13.13 H new ATOM 0 HD12 LEU A 53 5.077 6.280 -1.112 1.00 13.13 H new ATOM 0 HD13 LEU A 53 4.849 7.383 0.266 1.00 13.13 H new ATOM 0 HD21 LEU A 53 2.360 8.793 -0.900 1.00 45.02 H new ATOM 0 HD22 LEU A 53 3.721 9.667 -0.160 1.00 45.02 H new ATOM 0 HD23 LEU A 53 3.207 10.061 -1.818 1.00 45.02 H new ATOM 802 N THR A 54 7.824 10.536 -4.026 1.00 25.03 N ATOM 803 CA THR A 54 9.132 11.209 -4.125 1.00 23.24 C ATOM 804 C THR A 54 9.075 12.448 -5.038 1.00 24.14 C ATOM 805 O THR A 54 10.087 13.115 -5.256 1.00 25.24 O ATOM 806 CB THR A 54 10.242 10.248 -4.635 1.00 3.14 C ATOM 807 OG1 THR A 54 9.910 9.728 -5.931 1.00 24.02 O ATOM 808 CG2 THR A 54 10.454 9.089 -3.665 1.00 62.21 C ATOM 0 H THR A 54 7.589 9.954 -4.830 1.00 25.03 H new ATOM 0 HA THR A 54 9.381 11.529 -3.113 1.00 23.24 H new ATOM 0 HB THR A 54 11.165 10.824 -4.705 1.00 3.14 H new ATOM 0 HG1 THR A 54 9.010 10.025 -6.182 1.00 24.02 H new ATOM 0 HG21 THR A 54 11.236 8.433 -4.047 1.00 62.21 H new ATOM 0 HG22 THR A 54 10.751 9.479 -2.692 1.00 62.21 H new ATOM 0 HG23 THR A 54 9.526 8.526 -3.562 1.00 62.21 H new ATOM 816 N GLU A 55 7.885 12.763 -5.553 1.00 73.21 N ATOM 817 CA GLU A 55 7.689 13.948 -6.406 1.00 4.31 C ATOM 818 C GLU A 55 6.432 14.729 -5.983 1.00 50.35 C ATOM 819 O GLU A 55 5.512 14.161 -5.394 1.00 3.01 O ATOM 820 CB GLU A 55 7.571 13.532 -7.883 1.00 61.50 C ATOM 821 CG GLU A 55 6.382 12.626 -8.180 1.00 24.32 C ATOM 822 CD GLU A 55 6.256 12.287 -9.657 1.00 40.13 C ATOM 823 OE1 GLU A 55 6.988 11.391 -10.130 1.00 43.31 O ATOM 824 OE2 GLU A 55 5.423 12.907 -10.353 1.00 42.51 O ATOM 0 H GLU A 55 7.038 12.216 -5.397 1.00 73.21 H new ATOM 0 HA GLU A 55 8.557 14.596 -6.285 1.00 4.31 H new ATOM 0 HB2 GLU A 55 7.493 14.429 -8.497 1.00 61.50 H new ATOM 0 HB3 GLU A 55 8.487 13.021 -8.180 1.00 61.50 H new ATOM 0 HG2 GLU A 55 6.481 11.704 -7.607 1.00 24.32 H new ATOM 0 HG3 GLU A 55 5.467 13.113 -7.844 1.00 24.32 H new ATOM 831 N PRO A 56 6.376 16.052 -6.249 1.00 35.13 N ATOM 832 CA PRO A 56 5.180 16.854 -5.947 1.00 42.05 C ATOM 833 C PRO A 56 3.937 16.371 -6.715 1.00 61.14 C ATOM 834 O PRO A 56 3.915 16.337 -7.953 1.00 52.00 O ATOM 835 CB PRO A 56 5.570 18.272 -6.397 1.00 65.34 C ATOM 836 CG PRO A 56 7.062 18.269 -6.443 1.00 74.14 C ATOM 837 CD PRO A 56 7.462 16.866 -6.819 1.00 64.12 C ATOM 0 HA PRO A 56 4.907 16.787 -4.894 1.00 42.05 H new ATOM 0 HB2 PRO A 56 5.146 18.506 -7.373 1.00 65.34 H new ATOM 0 HB3 PRO A 56 5.199 19.023 -5.700 1.00 65.34 H new ATOM 0 HG2 PRO A 56 7.431 18.989 -7.173 1.00 74.14 H new ATOM 0 HG3 PRO A 56 7.483 18.549 -5.477 1.00 74.14 H new ATOM 0 HD2 PRO A 56 7.535 16.742 -7.899 1.00 64.12 H new ATOM 0 HD3 PRO A 56 8.432 16.596 -6.401 1.00 64.12 H new ATOM 845 N VAL A 57 2.901 16.013 -5.963 1.00 73.53 N ATOM 846 CA VAL A 57 1.632 15.533 -6.521 1.00 21.53 C ATOM 847 C VAL A 57 0.441 16.047 -5.686 1.00 2.44 C ATOM 848 O VAL A 57 0.606 16.376 -4.509 1.00 22.35 O ATOM 849 CB VAL A 57 1.594 13.979 -6.575 1.00 13.43 C ATOM 850 CG1 VAL A 57 2.493 13.439 -7.687 1.00 25.03 C ATOM 851 CG2 VAL A 57 2.003 13.391 -5.229 1.00 0.14 C ATOM 0 H VAL A 57 2.914 16.046 -4.944 1.00 73.53 H new ATOM 0 HA VAL A 57 1.553 15.921 -7.537 1.00 21.53 H new ATOM 0 HB VAL A 57 0.570 13.677 -6.796 1.00 13.43 H new ATOM 0 HG11 VAL A 57 2.444 12.350 -7.698 1.00 25.03 H new ATOM 0 HG12 VAL A 57 2.156 13.827 -8.648 1.00 25.03 H new ATOM 0 HG13 VAL A 57 3.521 13.754 -7.509 1.00 25.03 H new ATOM 0 HG21 VAL A 57 1.971 12.303 -5.283 1.00 0.14 H new ATOM 0 HG22 VAL A 57 3.015 13.713 -4.984 1.00 0.14 H new ATOM 0 HG23 VAL A 57 1.315 13.736 -4.457 1.00 0.14 H new ATOM 861 N PRO A 58 -0.766 16.147 -6.274 1.00 55.01 N ATOM 862 CA PRO A 58 -1.967 16.566 -5.528 1.00 11.44 C ATOM 863 C PRO A 58 -2.479 15.485 -4.550 1.00 62.01 C ATOM 864 O PRO A 58 -2.458 14.288 -4.856 1.00 32.43 O ATOM 865 CB PRO A 58 -2.993 16.840 -6.635 1.00 52.33 C ATOM 866 CG PRO A 58 -2.561 15.987 -7.782 1.00 64.42 C ATOM 867 CD PRO A 58 -1.056 15.890 -7.700 1.00 4.12 C ATOM 0 HA PRO A 58 -1.768 17.428 -4.891 1.00 11.44 H new ATOM 0 HB2 PRO A 58 -4.002 16.584 -6.311 1.00 52.33 H new ATOM 0 HB3 PRO A 58 -3.005 17.895 -6.910 1.00 52.33 H new ATOM 0 HG2 PRO A 58 -3.017 14.999 -7.724 1.00 64.42 H new ATOM 0 HG3 PRO A 58 -2.871 16.426 -8.730 1.00 64.42 H new ATOM 0 HD2 PRO A 58 -0.701 14.907 -8.010 1.00 4.12 H new ATOM 0 HD3 PRO A 58 -0.572 16.623 -8.346 1.00 4.12 H new ATOM 875 N ASN A 59 -2.945 15.925 -3.378 1.00 10.42 N ATOM 876 CA ASN A 59 -3.440 15.023 -2.323 1.00 31.45 C ATOM 877 C ASN A 59 -4.480 14.020 -2.849 1.00 53.32 C ATOM 878 O ASN A 59 -4.380 12.816 -2.602 1.00 63.01 O ATOM 879 CB ASN A 59 -4.049 15.852 -1.182 1.00 24.21 C ATOM 880 CG ASN A 59 -4.679 14.995 -0.096 1.00 52.23 C ATOM 881 OD1 ASN A 59 -5.859 14.667 -0.153 1.00 24.13 O ATOM 882 ND2 ASN A 59 -3.900 14.625 0.899 1.00 2.50 N ATOM 0 H ASN A 59 -2.992 16.913 -3.130 1.00 10.42 H new ATOM 0 HA ASN A 59 -2.589 14.447 -1.959 1.00 31.45 H new ATOM 0 HB2 ASN A 59 -3.273 16.477 -0.740 1.00 24.21 H new ATOM 0 HB3 ASN A 59 -4.804 16.523 -1.591 1.00 24.21 H new ATOM 0 HD21 ASN A 59 -4.274 14.048 1.652 1.00 2.50 H new ATOM 0 HD22 ASN A 59 -2.922 14.915 0.916 1.00 2.50 H new ATOM 889 N SER A 60 -5.475 14.528 -3.573 1.00 23.52 N ATOM 890 CA SER A 60 -6.561 13.691 -4.108 1.00 61.23 C ATOM 891 C SER A 60 -6.027 12.534 -4.969 1.00 2.35 C ATOM 892 O SER A 60 -6.573 11.427 -4.946 1.00 5.12 O ATOM 893 CB SER A 60 -7.534 14.547 -4.929 1.00 53.41 C ATOM 894 OG SER A 60 -8.083 15.595 -4.139 1.00 0.45 O ATOM 0 H SER A 60 -5.557 15.518 -3.806 1.00 23.52 H new ATOM 0 HA SER A 60 -7.085 13.256 -3.257 1.00 61.23 H new ATOM 0 HB2 SER A 60 -7.015 14.969 -5.790 1.00 53.41 H new ATOM 0 HB3 SER A 60 -8.337 13.920 -5.317 1.00 53.41 H new ATOM 0 HG SER A 60 -8.699 16.128 -4.685 1.00 0.45 H new ATOM 900 N GLN A 61 -4.956 12.797 -5.720 1.00 51.51 N ATOM 901 CA GLN A 61 -4.307 11.767 -6.539 1.00 52.23 C ATOM 902 C GLN A 61 -3.622 10.711 -5.657 1.00 33.14 C ATOM 903 O GLN A 61 -3.748 9.512 -5.900 1.00 13.03 O ATOM 904 CB GLN A 61 -3.285 12.403 -7.493 1.00 22.15 C ATOM 905 CG GLN A 61 -2.569 11.397 -8.393 1.00 5.23 C ATOM 906 CD GLN A 61 -1.565 12.053 -9.327 1.00 4.12 C ATOM 907 OE1 GLN A 61 -1.734 13.195 -9.742 1.00 53.32 O ATOM 908 NE2 GLN A 61 -0.518 11.336 -9.673 1.00 60.15 N ATOM 0 H GLN A 61 -4.518 13.716 -5.779 1.00 51.51 H new ATOM 0 HA GLN A 61 -5.079 11.272 -7.129 1.00 52.23 H new ATOM 0 HB2 GLN A 61 -3.794 13.137 -8.118 1.00 22.15 H new ATOM 0 HB3 GLN A 61 -2.542 12.944 -6.906 1.00 22.15 H new ATOM 0 HG2 GLN A 61 -2.055 10.663 -7.773 1.00 5.23 H new ATOM 0 HG3 GLN A 61 -3.307 10.855 -8.984 1.00 5.23 H new ATOM 0 HE21 GLN A 61 -0.406 10.389 -9.311 1.00 60.15 H new ATOM 0 HE22 GLN A 61 0.182 11.727 -10.304 1.00 60.15 H new ATOM 917 N LEU A 62 -2.906 11.168 -4.627 1.00 24.14 N ATOM 918 CA LEU A 62 -2.254 10.262 -3.667 1.00 11.43 C ATOM 919 C LEU A 62 -3.262 9.300 -3.023 1.00 54.04 C ATOM 920 O LEU A 62 -3.019 8.096 -2.929 1.00 63.22 O ATOM 921 CB LEU A 62 -1.543 11.072 -2.571 1.00 1.03 C ATOM 922 CG LEU A 62 -0.247 11.769 -3.008 1.00 54.32 C ATOM 923 CD1 LEU A 62 0.279 12.681 -1.899 1.00 42.51 C ATOM 924 CD2 LEU A 62 0.806 10.734 -3.406 1.00 12.13 C ATOM 0 H LEU A 62 -2.761 12.159 -4.433 1.00 24.14 H new ATOM 0 HA LEU A 62 -1.523 9.670 -4.218 1.00 11.43 H new ATOM 0 HB2 LEU A 62 -2.233 11.827 -2.194 1.00 1.03 H new ATOM 0 HB3 LEU A 62 -1.315 10.405 -1.739 1.00 1.03 H new ATOM 0 HG LEU A 62 -0.465 12.389 -3.878 1.00 54.32 H new ATOM 0 HD11 LEU A 62 1.198 13.164 -2.231 1.00 42.51 H new ATOM 0 HD12 LEU A 62 -0.468 13.441 -1.668 1.00 42.51 H new ATOM 0 HD13 LEU A 62 0.482 12.089 -1.007 1.00 42.51 H new ATOM 0 HD21 LEU A 62 1.719 11.244 -3.713 1.00 12.13 H new ATOM 0 HD22 LEU A 62 1.020 10.087 -2.555 1.00 12.13 H new ATOM 0 HD23 LEU A 62 0.430 10.132 -4.234 1.00 12.13 H new ATOM 936 N VAL A 63 -4.394 9.842 -2.583 1.00 1.23 N ATOM 937 CA VAL A 63 -5.441 9.036 -1.950 1.00 44.04 C ATOM 938 C VAL A 63 -6.007 7.983 -2.919 1.00 20.31 C ATOM 939 O VAL A 63 -6.212 6.832 -2.541 1.00 54.21 O ATOM 940 CB VAL A 63 -6.596 9.924 -1.416 1.00 33.33 C ATOM 941 CG1 VAL A 63 -7.671 9.077 -0.727 1.00 43.13 C ATOM 942 CG2 VAL A 63 -6.055 10.993 -0.467 1.00 3.23 C ATOM 0 H VAL A 63 -4.613 10.836 -2.652 1.00 1.23 H new ATOM 0 HA VAL A 63 -4.975 8.522 -1.109 1.00 44.04 H new ATOM 0 HB VAL A 63 -7.061 10.422 -2.267 1.00 33.33 H new ATOM 0 HG11 VAL A 63 -8.468 9.726 -0.363 1.00 43.13 H new ATOM 0 HG12 VAL A 63 -8.083 8.362 -1.439 1.00 43.13 H new ATOM 0 HG13 VAL A 63 -7.229 8.540 0.112 1.00 43.13 H new ATOM 0 HG21 VAL A 63 -6.879 11.606 -0.102 1.00 3.23 H new ATOM 0 HG22 VAL A 63 -5.559 10.513 0.377 1.00 3.23 H new ATOM 0 HG23 VAL A 63 -5.341 11.623 -0.998 1.00 3.23 H new ATOM 952 N ASP A 64 -6.242 8.376 -4.170 1.00 52.42 N ATOM 953 CA ASP A 64 -6.797 7.459 -5.176 1.00 41.34 C ATOM 954 C ASP A 64 -5.769 6.392 -5.610 1.00 33.14 C ATOM 955 O ASP A 64 -6.052 5.191 -5.572 1.00 31.02 O ATOM 956 CB ASP A 64 -7.287 8.245 -6.396 1.00 5.10 C ATOM 957 CG ASP A 64 -7.868 7.340 -7.469 1.00 20.52 C ATOM 958 OD1 ASP A 64 -9.005 6.854 -7.296 1.00 30.14 O ATOM 959 OD2 ASP A 64 -7.184 7.094 -8.486 1.00 4.04 O ATOM 0 H ASP A 64 -6.059 9.318 -4.515 1.00 52.42 H new ATOM 0 HA ASP A 64 -7.639 6.940 -4.718 1.00 41.34 H new ATOM 0 HB2 ASP A 64 -8.043 8.965 -6.082 1.00 5.10 H new ATOM 0 HB3 ASP A 64 -6.458 8.816 -6.815 1.00 5.10 H new ATOM 964 N THR A 65 -4.584 6.836 -6.031 1.00 43.21 N ATOM 965 CA THR A 65 -3.510 5.916 -6.447 1.00 1.31 C ATOM 966 C THR A 65 -3.085 4.999 -5.288 1.00 60.10 C ATOM 967 O THR A 65 -2.672 3.861 -5.498 1.00 12.11 O ATOM 968 CB THR A 65 -2.276 6.688 -6.981 1.00 10.45 C ATOM 969 OG1 THR A 65 -2.670 7.541 -8.071 1.00 61.01 O ATOM 970 CG2 THR A 65 -1.179 5.738 -7.459 1.00 4.53 C ATOM 0 H THR A 65 -4.338 7.824 -6.095 1.00 43.21 H new ATOM 0 HA THR A 65 -3.911 5.303 -7.254 1.00 1.31 H new ATOM 0 HB THR A 65 -1.878 7.284 -6.160 1.00 10.45 H new ATOM 0 HG1 THR A 65 -3.095 8.350 -7.716 1.00 61.01 H new ATOM 0 HG21 THR A 65 -0.331 6.316 -7.826 1.00 4.53 H new ATOM 0 HG22 THR A 65 -0.857 5.108 -6.630 1.00 4.53 H new ATOM 0 HG23 THR A 65 -1.565 5.111 -8.263 1.00 4.53 H new ATOM 978 N GLY A 66 -3.186 5.501 -4.063 1.00 35.01 N ATOM 979 CA GLY A 66 -2.976 4.661 -2.892 1.00 42.31 C ATOM 980 C GLY A 66 -4.158 3.725 -2.634 1.00 22.54 C ATOM 981 O GLY A 66 -3.981 2.580 -2.216 1.00 25.22 O ATOM 0 H GLY A 66 -3.409 6.475 -3.856 1.00 35.01 H new ATOM 0 HA2 GLY A 66 -2.070 4.071 -3.028 1.00 42.31 H new ATOM 0 HA3 GLY A 66 -2.817 5.292 -2.018 1.00 42.31 H new ATOM 985 N HIS A 67 -5.368 4.217 -2.901 1.00 52.15 N ATOM 986 CA HIS A 67 -6.598 3.458 -2.655 1.00 61.43 C ATOM 987 C HIS A 67 -6.698 2.205 -3.543 1.00 44.33 C ATOM 988 O HIS A 67 -7.261 1.192 -3.125 1.00 41.23 O ATOM 989 CB HIS A 67 -7.824 4.356 -2.873 1.00 34.15 C ATOM 990 CG HIS A 67 -9.121 3.720 -2.480 1.00 73.14 C ATOM 991 ND1 HIS A 67 -10.178 3.554 -3.349 1.00 1.33 N ATOM 992 CD2 HIS A 67 -9.534 3.217 -1.292 1.00 40.35 C ATOM 993 CE1 HIS A 67 -11.181 2.977 -2.718 1.00 40.15 C ATOM 994 NE2 HIS A 67 -10.817 2.764 -1.470 1.00 3.30 N ATOM 0 H HIS A 67 -5.525 5.146 -3.291 1.00 52.15 H new ATOM 0 HA HIS A 67 -6.569 3.121 -1.619 1.00 61.43 H new ATOM 0 HB2 HIS A 67 -7.694 5.276 -2.302 1.00 34.15 H new ATOM 0 HB3 HIS A 67 -7.873 4.638 -3.925 1.00 34.15 H new ATOM 0 HD2 HIS A 67 -8.961 3.180 -0.377 1.00 40.35 H new ATOM 0 HE1 HIS A 67 -12.137 2.722 -3.150 1.00 40.15 H new ATOM 0 HE2 HIS A 67 -11.396 2.331 -0.751 1.00 3.30 H new ATOM 1003 N GLN A 68 -6.162 2.270 -4.764 1.00 62.10 N ATOM 1004 CA GLN A 68 -6.184 1.105 -5.664 1.00 64.54 C ATOM 1005 C GLN A 68 -5.353 -0.051 -5.086 1.00 23.40 C ATOM 1006 O GLN A 68 -5.661 -1.218 -5.315 1.00 53.33 O ATOM 1007 CB GLN A 68 -5.688 1.461 -7.076 1.00 62.13 C ATOM 1008 CG GLN A 68 -4.263 1.998 -7.129 1.00 64.22 C ATOM 1009 CD GLN A 68 -3.745 2.195 -8.547 1.00 25.23 C ATOM 1010 OE1 GLN A 68 -2.959 3.094 -8.812 1.00 55.54 O ATOM 1011 NE2 GLN A 68 -4.151 1.338 -9.463 1.00 43.14 N ATOM 0 H GLN A 68 -5.714 3.100 -5.151 1.00 62.10 H new ATOM 0 HA GLN A 68 -7.223 0.785 -5.746 1.00 64.54 H new ATOM 0 HB2 GLN A 68 -5.751 0.573 -7.704 1.00 62.13 H new ATOM 0 HB3 GLN A 68 -6.359 2.204 -7.506 1.00 62.13 H new ATOM 0 HG2 GLN A 68 -4.221 2.950 -6.599 1.00 64.22 H new ATOM 0 HG3 GLN A 68 -3.603 1.310 -6.601 1.00 64.22 H new ATOM 0 HE21 GLN A 68 -4.807 0.598 -9.214 1.00 43.14 H new ATOM 0 HE22 GLN A 68 -3.809 1.415 -10.421 1.00 43.14 H new ATOM 1020 N LEU A 69 -4.307 0.277 -4.328 1.00 24.11 N ATOM 1021 CA LEU A 69 -3.506 -0.744 -3.645 1.00 1.13 C ATOM 1022 C LEU A 69 -4.352 -1.525 -2.630 1.00 54.31 C ATOM 1023 O LEU A 69 -4.122 -2.711 -2.405 1.00 3.14 O ATOM 1024 CB LEU A 69 -2.276 -0.116 -2.969 1.00 22.14 C ATOM 1025 CG LEU A 69 -1.008 -0.063 -3.841 1.00 22.13 C ATOM 1026 CD1 LEU A 69 -0.476 -1.470 -4.107 1.00 22.02 C ATOM 1027 CD2 LEU A 69 -1.290 0.659 -5.157 1.00 51.23 C ATOM 0 H LEU A 69 -3.994 1.235 -4.171 1.00 24.11 H new ATOM 0 HA LEU A 69 -3.154 -1.450 -4.397 1.00 1.13 H new ATOM 0 HB2 LEU A 69 -2.529 0.898 -2.660 1.00 22.14 H new ATOM 0 HB3 LEU A 69 -2.052 -0.679 -2.063 1.00 22.14 H new ATOM 0 HG LEU A 69 -0.245 0.495 -3.298 1.00 22.13 H new ATOM 0 HD11 LEU A 69 0.420 -1.409 -4.725 1.00 22.02 H new ATOM 0 HD12 LEU A 69 -0.232 -1.952 -3.160 1.00 22.02 H new ATOM 0 HD13 LEU A 69 -1.236 -2.054 -4.626 1.00 22.02 H new ATOM 0 HD21 LEU A 69 -0.382 0.686 -5.759 1.00 51.23 H new ATOM 0 HD22 LEU A 69 -2.071 0.130 -5.702 1.00 51.23 H new ATOM 0 HD23 LEU A 69 -1.619 1.677 -4.950 1.00 51.23 H new ATOM 1039 N LEU A 70 -5.336 -0.858 -2.027 1.00 4.31 N ATOM 1040 CA LEU A 70 -6.312 -1.541 -1.167 1.00 11.42 C ATOM 1041 C LEU A 70 -7.164 -2.526 -1.983 1.00 44.43 C ATOM 1042 O LEU A 70 -7.511 -3.603 -1.504 1.00 61.32 O ATOM 1043 CB LEU A 70 -7.216 -0.522 -0.446 1.00 23.24 C ATOM 1044 CG LEU A 70 -6.623 0.114 0.824 1.00 63.02 C ATOM 1045 CD1 LEU A 70 -6.338 -0.956 1.875 1.00 54.01 C ATOM 1046 CD2 LEU A 70 -5.358 0.911 0.509 1.00 12.11 C ATOM 0 H LEU A 70 -5.481 0.148 -2.115 1.00 4.31 H new ATOM 0 HA LEU A 70 -5.759 -2.104 -0.415 1.00 11.42 H new ATOM 0 HB2 LEU A 70 -7.465 0.275 -1.147 1.00 23.24 H new ATOM 0 HB3 LEU A 70 -8.150 -1.017 -0.180 1.00 23.24 H new ATOM 0 HG LEU A 70 -7.361 0.809 1.226 1.00 63.02 H new ATOM 0 HD11 LEU A 70 -5.919 -0.488 2.766 1.00 54.01 H new ATOM 0 HD12 LEU A 70 -7.265 -1.467 2.135 1.00 54.01 H new ATOM 0 HD13 LEU A 70 -5.626 -1.678 1.475 1.00 54.01 H new ATOM 0 HD21 LEU A 70 -4.965 1.347 1.427 1.00 12.11 H new ATOM 0 HD22 LEU A 70 -4.610 0.249 0.072 1.00 12.11 H new ATOM 0 HD23 LEU A 70 -5.596 1.706 -0.197 1.00 12.11 H new ATOM 1058 N ASP A 71 -7.489 -2.145 -3.218 1.00 71.43 N ATOM 1059 CA ASP A 71 -8.220 -3.021 -4.142 1.00 51.41 C ATOM 1060 C ASP A 71 -7.393 -4.284 -4.454 1.00 3.02 C ATOM 1061 O ASP A 71 -7.869 -5.416 -4.293 1.00 13.51 O ATOM 1062 CB ASP A 71 -8.546 -2.244 -5.428 1.00 1.20 C ATOM 1063 CG ASP A 71 -9.319 -3.061 -6.451 1.00 23.22 C ATOM 1064 OD1 ASP A 71 -8.683 -3.745 -7.275 1.00 12.53 O ATOM 1065 OD2 ASP A 71 -10.570 -3.002 -6.450 1.00 61.00 O ATOM 0 H ASP A 71 -7.257 -1.231 -3.606 1.00 71.43 H new ATOM 0 HA ASP A 71 -9.153 -3.342 -3.678 1.00 51.41 H new ATOM 0 HB2 ASP A 71 -9.125 -1.357 -5.170 1.00 1.20 H new ATOM 0 HB3 ASP A 71 -7.616 -1.897 -5.879 1.00 1.20 H new ATOM 1070 N TYR A 72 -6.145 -4.080 -4.874 1.00 71.13 N ATOM 1071 CA TYR A 72 -5.233 -5.191 -5.176 1.00 51.31 C ATOM 1072 C TYR A 72 -4.970 -6.060 -3.936 1.00 23.20 C ATOM 1073 O TYR A 72 -5.039 -7.285 -3.998 1.00 15.12 O ATOM 1074 CB TYR A 72 -3.901 -4.663 -5.732 1.00 72.22 C ATOM 1075 CG TYR A 72 -4.054 -3.801 -6.972 1.00 54.54 C ATOM 1076 CD1 TYR A 72 -4.669 -4.298 -8.116 1.00 0.20 C ATOM 1077 CD2 TYR A 72 -3.598 -2.489 -6.994 1.00 71.13 C ATOM 1078 CE1 TYR A 72 -4.822 -3.513 -9.241 1.00 2.54 C ATOM 1079 CE2 TYR A 72 -3.751 -1.698 -8.114 1.00 25.41 C ATOM 1080 CZ TYR A 72 -4.363 -2.214 -9.234 1.00 23.34 C ATOM 1081 OH TYR A 72 -4.521 -1.427 -10.351 1.00 23.14 O ATOM 0 H TYR A 72 -5.738 -3.155 -5.014 1.00 71.13 H new ATOM 0 HA TYR A 72 -5.717 -5.811 -5.931 1.00 51.31 H new ATOM 0 HB2 TYR A 72 -3.399 -4.083 -4.957 1.00 72.22 H new ATOM 0 HB3 TYR A 72 -3.255 -5.509 -5.966 1.00 72.22 H new ATOM 0 HD1 TYR A 72 -5.033 -5.315 -8.124 1.00 0.20 H new ATOM 0 HD2 TYR A 72 -3.115 -2.081 -6.119 1.00 71.13 H new ATOM 0 HE1 TYR A 72 -5.299 -3.915 -10.122 1.00 2.54 H new ATOM 0 HE2 TYR A 72 -3.392 -0.679 -8.112 1.00 25.41 H new ATOM 0 HH TYR A 72 -3.644 -1.119 -10.661 1.00 23.14 H new ATOM 1091 N CYS A 73 -4.677 -5.421 -2.810 1.00 15.24 N ATOM 1092 CA CYS A 73 -4.396 -6.139 -1.558 1.00 0.23 C ATOM 1093 C CYS A 73 -5.621 -6.924 -1.062 1.00 24.11 C ATOM 1094 O CYS A 73 -5.513 -8.099 -0.712 1.00 35.41 O ATOM 1095 CB CYS A 73 -3.930 -5.164 -0.469 1.00 4.21 C ATOM 1096 SG CYS A 73 -2.337 -4.371 -0.812 1.00 2.12 S ATOM 0 H CYS A 73 -4.626 -4.405 -2.731 1.00 15.24 H new ATOM 0 HA CYS A 73 -3.600 -6.853 -1.769 1.00 0.23 H new ATOM 0 HB2 CYS A 73 -4.688 -4.391 -0.341 1.00 4.21 H new ATOM 0 HB3 CYS A 73 -3.859 -5.701 0.477 1.00 4.21 H new ATOM 0 HG CYS A 73 -2.521 -3.344 -1.588 1.00 2.12 H new ATOM 1102 N SER A 74 -6.786 -6.272 -1.049 1.00 1.42 N ATOM 1103 CA SER A 74 -8.029 -6.899 -0.570 1.00 13.13 C ATOM 1104 C SER A 74 -8.405 -8.130 -1.410 1.00 23.12 C ATOM 1105 O SER A 74 -9.077 -9.039 -0.923 1.00 65.23 O ATOM 1106 CB SER A 74 -9.191 -5.891 -0.583 1.00 4.24 C ATOM 1107 OG SER A 74 -10.362 -6.436 0.012 1.00 32.22 O ATOM 0 H SER A 74 -6.899 -5.309 -1.364 1.00 1.42 H new ATOM 0 HA SER A 74 -7.848 -7.225 0.454 1.00 13.13 H new ATOM 0 HB2 SER A 74 -8.897 -4.988 -0.048 1.00 4.24 H new ATOM 0 HB3 SER A 74 -9.407 -5.597 -1.610 1.00 4.24 H new ATOM 0 HG SER A 74 -11.081 -5.770 -0.011 1.00 32.22 H new ATOM 1113 N GLY A 75 -7.993 -8.142 -2.677 1.00 53.53 N ATOM 1114 CA GLY A 75 -8.234 -9.300 -3.535 1.00 25.30 C ATOM 1115 C GLY A 75 -7.127 -10.353 -3.447 1.00 21.14 C ATOM 1116 O GLY A 75 -7.398 -11.548 -3.328 1.00 3.22 O ATOM 0 H GLY A 75 -7.497 -7.373 -3.127 1.00 53.53 H new ATOM 0 HA2 GLY A 75 -9.185 -9.757 -3.260 1.00 25.30 H new ATOM 0 HA3 GLY A 75 -8.328 -8.966 -4.568 1.00 25.30 H new ATOM 1120 N TYR A 76 -5.876 -9.902 -3.485 1.00 10.22 N ATOM 1121 CA TYR A 76 -4.714 -10.803 -3.507 1.00 1.21 C ATOM 1122 C TYR A 76 -4.555 -11.580 -2.185 1.00 51.51 C ATOM 1123 O TYR A 76 -4.144 -12.744 -2.185 1.00 62.32 O ATOM 1124 CB TYR A 76 -3.441 -9.996 -3.801 1.00 23.11 C ATOM 1125 CG TYR A 76 -2.217 -10.847 -4.104 1.00 42.32 C ATOM 1126 CD1 TYR A 76 -2.037 -11.413 -5.362 1.00 54.11 C ATOM 1127 CD2 TYR A 76 -1.240 -11.075 -3.140 1.00 14.34 C ATOM 1128 CE1 TYR A 76 -0.926 -12.184 -5.647 1.00 71.35 C ATOM 1129 CE2 TYR A 76 -0.125 -11.845 -3.420 1.00 72.33 C ATOM 1130 CZ TYR A 76 0.029 -12.395 -4.675 1.00 20.55 C ATOM 1131 OH TYR A 76 1.141 -13.156 -4.962 1.00 63.55 O ATOM 0 H TYR A 76 -5.634 -8.911 -3.501 1.00 10.22 H new ATOM 0 HA TYR A 76 -4.878 -11.537 -4.296 1.00 1.21 H new ATOM 0 HB2 TYR A 76 -3.630 -9.337 -4.649 1.00 23.11 H new ATOM 0 HB3 TYR A 76 -3.223 -9.358 -2.944 1.00 23.11 H new ATOM 0 HD1 TYR A 76 -2.779 -11.247 -6.129 1.00 54.11 H new ATOM 0 HD2 TYR A 76 -1.354 -10.644 -2.156 1.00 14.34 H new ATOM 0 HE1 TYR A 76 -0.806 -12.620 -6.628 1.00 71.35 H new ATOM 0 HE2 TYR A 76 0.622 -12.015 -2.658 1.00 72.33 H new ATOM 0 HH TYR A 76 1.716 -13.207 -4.170 1.00 63.55 H new ATOM 1141 N VAL A 77 -4.892 -10.935 -1.062 1.00 20.04 N ATOM 1142 CA VAL A 77 -4.757 -11.557 0.265 1.00 53.30 C ATOM 1143 C VAL A 77 -5.513 -12.899 0.354 1.00 41.53 C ATOM 1144 O VAL A 77 -5.094 -13.814 1.065 1.00 64.52 O ATOM 1145 CB VAL A 77 -5.243 -10.600 1.390 1.00 0.43 C ATOM 1146 CG1 VAL A 77 -6.737 -10.304 1.263 1.00 42.25 C ATOM 1147 CG2 VAL A 77 -4.912 -11.160 2.775 1.00 25.32 C ATOM 0 H VAL A 77 -5.260 -9.984 -1.043 1.00 20.04 H new ATOM 0 HA VAL A 77 -3.695 -11.757 0.408 1.00 53.30 H new ATOM 0 HB VAL A 77 -4.707 -9.658 1.272 1.00 0.43 H new ATOM 0 HG11 VAL A 77 -7.044 -9.632 2.065 1.00 42.25 H new ATOM 0 HG12 VAL A 77 -6.934 -9.833 0.300 1.00 42.25 H new ATOM 0 HG13 VAL A 77 -7.300 -11.235 1.334 1.00 42.25 H new ATOM 0 HG21 VAL A 77 -5.264 -10.469 3.541 1.00 25.32 H new ATOM 0 HG22 VAL A 77 -5.402 -12.125 2.904 1.00 25.32 H new ATOM 0 HG23 VAL A 77 -3.833 -11.286 2.868 1.00 25.32 H new ATOM 1157 N ASP A 78 -6.605 -13.018 -0.400 1.00 62.32 N ATOM 1158 CA ASP A 78 -7.402 -14.248 -0.431 1.00 60.23 C ATOM 1159 C ASP A 78 -6.622 -15.416 -1.069 1.00 33.33 C ATOM 1160 O ASP A 78 -6.763 -16.570 -0.655 1.00 62.41 O ATOM 1161 CB ASP A 78 -8.708 -13.992 -1.198 1.00 72.43 C ATOM 1162 CG ASP A 78 -9.625 -15.206 -1.238 1.00 44.41 C ATOM 1163 OD1 ASP A 78 -10.160 -15.588 -0.173 1.00 43.33 O ATOM 1164 OD2 ASP A 78 -9.832 -15.776 -2.333 1.00 24.34 O ATOM 0 H ASP A 78 -6.961 -12.275 -1.001 1.00 62.32 H new ATOM 0 HA ASP A 78 -7.631 -14.534 0.596 1.00 60.23 H new ATOM 0 HB2 ASP A 78 -9.237 -13.160 -0.734 1.00 72.43 H new ATOM 0 HB3 ASP A 78 -8.470 -13.690 -2.218 1.00 72.43 H new ATOM 1169 N CYS A 79 -5.781 -15.101 -2.057 1.00 62.41 N ATOM 1170 CA CYS A 79 -5.032 -16.124 -2.808 1.00 42.51 C ATOM 1171 C CYS A 79 -3.642 -16.402 -2.206 1.00 11.00 C ATOM 1172 O CYS A 79 -2.934 -17.303 -2.664 1.00 54.24 O ATOM 1173 CB CYS A 79 -4.877 -15.695 -4.275 1.00 21.50 C ATOM 1174 SG CYS A 79 -6.445 -15.473 -5.154 1.00 34.23 S ATOM 0 H CYS A 79 -5.598 -14.144 -2.360 1.00 62.41 H new ATOM 0 HA CYS A 79 -5.608 -17.047 -2.745 1.00 42.51 H new ATOM 0 HB2 CYS A 79 -4.318 -14.760 -4.311 1.00 21.50 H new ATOM 0 HB3 CYS A 79 -4.282 -16.443 -4.800 1.00 21.50 H new ATOM 0 HG CYS A 79 -6.208 -15.110 -6.380 1.00 34.23 H new ATOM 1180 N ILE A 80 -3.248 -15.631 -1.193 1.00 23.52 N ATOM 1181 CA ILE A 80 -1.943 -15.817 -0.537 1.00 62.41 C ATOM 1182 C ILE A 80 -1.835 -17.201 0.144 1.00 74.41 C ATOM 1183 O ILE A 80 -2.553 -17.483 1.107 1.00 3.40 O ATOM 1184 CB ILE A 80 -1.674 -14.704 0.511 1.00 32.12 C ATOM 1185 CG1 ILE A 80 -1.501 -13.345 -0.189 1.00 31.34 C ATOM 1186 CG2 ILE A 80 -0.446 -15.036 1.366 1.00 1.21 C ATOM 1187 CD1 ILE A 80 -1.208 -12.196 0.755 1.00 10.12 C ATOM 0 H ILE A 80 -3.808 -14.872 -0.806 1.00 23.52 H new ATOM 0 HA ILE A 80 -1.189 -15.756 -1.322 1.00 62.41 H new ATOM 0 HB ILE A 80 -2.535 -14.646 1.177 1.00 32.12 H new ATOM 0 HG12 ILE A 80 -0.690 -13.422 -0.913 1.00 31.34 H new ATOM 0 HG13 ILE A 80 -2.408 -13.119 -0.749 1.00 31.34 H new ATOM 0 HG21 ILE A 80 -0.281 -14.239 2.091 1.00 1.21 H new ATOM 0 HG22 ILE A 80 -0.612 -15.976 1.892 1.00 1.21 H new ATOM 0 HG23 ILE A 80 0.430 -15.129 0.724 1.00 1.21 H new ATOM 0 HD11 ILE A 80 -1.100 -11.274 0.184 1.00 10.12 H new ATOM 0 HD12 ILE A 80 -2.029 -12.089 1.464 1.00 10.12 H new ATOM 0 HD13 ILE A 80 -0.284 -12.397 1.297 1.00 10.12 H new ATOM 1199 N PRO A 81 -0.924 -18.074 -0.341 1.00 20.34 N ATOM 1200 CA PRO A 81 -0.772 -19.443 0.191 1.00 74.51 C ATOM 1201 C PRO A 81 -0.094 -19.501 1.576 1.00 42.40 C ATOM 1202 O PRO A 81 -0.445 -20.335 2.415 1.00 11.25 O ATOM 1203 CB PRO A 81 0.103 -20.132 -0.866 1.00 31.32 C ATOM 1204 CG PRO A 81 0.904 -19.027 -1.471 1.00 20.43 C ATOM 1205 CD PRO A 81 0.013 -17.809 -1.456 1.00 11.00 C ATOM 0 HA PRO A 81 -1.741 -19.915 0.353 1.00 74.51 H new ATOM 0 HB2 PRO A 81 0.747 -20.888 -0.416 1.00 31.32 H new ATOM 0 HB3 PRO A 81 -0.505 -20.637 -1.616 1.00 31.32 H new ATOM 0 HG2 PRO A 81 1.816 -18.850 -0.901 1.00 20.43 H new ATOM 0 HG3 PRO A 81 1.207 -19.276 -2.488 1.00 20.43 H new ATOM 0 HD2 PRO A 81 0.585 -16.896 -1.290 1.00 11.00 H new ATOM 0 HD3 PRO A 81 -0.514 -17.687 -2.402 1.00 11.00 H new ATOM 1213 N GLN A 82 0.879 -18.617 1.810 1.00 30.12 N ATOM 1214 CA GLN A 82 1.652 -18.622 3.063 1.00 41.41 C ATOM 1215 C GLN A 82 1.049 -17.673 4.109 1.00 51.43 C ATOM 1216 O GLN A 82 0.945 -16.468 3.871 1.00 52.12 O ATOM 1217 CB GLN A 82 3.106 -18.205 2.796 1.00 32.24 C ATOM 1218 CG GLN A 82 3.828 -19.060 1.760 1.00 62.11 C ATOM 1219 CD GLN A 82 5.286 -18.657 1.593 1.00 51.21 C ATOM 1220 OE1 GLN A 82 6.164 -19.166 2.281 1.00 53.33 O ATOM 1221 NE2 GLN A 82 5.553 -17.745 0.680 1.00 74.42 N ATOM 0 H GLN A 82 1.153 -17.888 1.152 1.00 30.12 H new ATOM 0 HA GLN A 82 1.619 -19.639 3.454 1.00 41.41 H new ATOM 0 HB2 GLN A 82 3.118 -17.167 2.464 1.00 32.24 H new ATOM 0 HB3 GLN A 82 3.661 -18.246 3.733 1.00 32.24 H new ATOM 0 HG2 GLN A 82 3.775 -20.108 2.056 1.00 62.11 H new ATOM 0 HG3 GLN A 82 3.317 -18.973 0.801 1.00 62.11 H new ATOM 0 HE21 GLN A 82 4.798 -17.342 0.125 1.00 74.42 H new ATOM 0 HE22 GLN A 82 6.515 -17.442 0.528 1.00 74.42 H new ATOM 1230 N THR A 83 0.672 -18.209 5.269 1.00 4.20 N ATOM 1231 CA THR A 83 0.142 -17.379 6.361 1.00 40.04 C ATOM 1232 C THR A 83 1.208 -16.407 6.894 1.00 74.35 C ATOM 1233 O THR A 83 0.896 -15.267 7.237 1.00 45.34 O ATOM 1234 CB THR A 83 -0.402 -18.233 7.534 1.00 32.14 C ATOM 1235 OG1 THR A 83 -1.439 -19.108 7.068 1.00 53.41 O ATOM 1236 CG2 THR A 83 -0.950 -17.350 8.654 1.00 31.01 C ATOM 0 H THR A 83 0.721 -19.206 5.481 1.00 4.20 H new ATOM 0 HA THR A 83 -0.685 -16.810 5.936 1.00 40.04 H new ATOM 0 HB THR A 83 0.426 -18.821 7.929 1.00 32.14 H new ATOM 0 HG1 THR A 83 -1.775 -19.645 7.816 1.00 53.41 H new ATOM 0 HG21 THR A 83 -1.324 -17.978 9.462 1.00 31.01 H new ATOM 0 HG22 THR A 83 -0.155 -16.707 9.032 1.00 31.01 H new ATOM 0 HG23 THR A 83 -1.762 -16.734 8.267 1.00 31.01 H new ATOM 1244 N ARG A 84 2.465 -16.860 6.956 1.00 61.44 N ATOM 1245 CA ARG A 84 3.588 -15.992 7.366 1.00 35.23 C ATOM 1246 C ARG A 84 3.618 -14.693 6.544 1.00 75.34 C ATOM 1247 O ARG A 84 3.858 -13.608 7.079 1.00 11.53 O ATOM 1248 CB ARG A 84 4.933 -16.723 7.215 1.00 42.04 C ATOM 1249 CG ARG A 84 5.049 -17.994 8.049 1.00 12.03 C ATOM 1250 CD ARG A 84 4.836 -17.732 9.538 1.00 22.42 C ATOM 1251 NE ARG A 84 4.983 -18.949 10.334 1.00 10.54 N ATOM 1252 CZ ARG A 84 4.724 -19.030 11.611 1.00 64.33 C ATOM 1253 NH1 ARG A 84 4.292 -18.002 12.267 1.00 42.44 N ATOM 1254 NH2 ARG A 84 4.896 -20.150 12.231 1.00 75.42 N ATOM 0 H ARG A 84 2.735 -17.817 6.730 1.00 61.44 H new ATOM 0 HA ARG A 84 3.434 -15.741 8.415 1.00 35.23 H new ATOM 0 HB2 ARG A 84 5.081 -16.976 6.165 1.00 42.04 H new ATOM 0 HB3 ARG A 84 5.737 -16.043 7.495 1.00 42.04 H new ATOM 0 HG2 ARG A 84 4.315 -18.722 7.702 1.00 12.03 H new ATOM 0 HG3 ARG A 84 6.033 -18.437 7.898 1.00 12.03 H new ATOM 0 HD2 ARG A 84 5.552 -16.986 9.881 1.00 22.42 H new ATOM 0 HD3 ARG A 84 3.841 -17.314 9.694 1.00 22.42 H new ATOM 0 HE ARG A 84 5.310 -19.791 9.860 1.00 10.54 H new ATOM 0 HH11 ARG A 84 4.150 -17.114 11.787 1.00 42.44 H new ATOM 0 HH12 ARG A 84 4.094 -18.080 13.265 1.00 42.44 H new ATOM 0 HH21 ARG A 84 5.233 -20.968 11.723 1.00 75.42 H new ATOM 0 HH22 ARG A 84 4.695 -20.217 13.229 1.00 75.42 H new ATOM 1268 N ASN A 85 3.384 -14.815 5.239 1.00 1.20 N ATOM 1269 CA ASN A 85 3.297 -13.648 4.358 1.00 11.01 C ATOM 1270 C ASN A 85 1.990 -12.885 4.592 1.00 72.10 C ATOM 1271 O ASN A 85 1.990 -11.668 4.739 1.00 33.31 O ATOM 1272 CB ASN A 85 3.378 -14.063 2.884 1.00 71.23 C ATOM 1273 CG ASN A 85 4.659 -14.799 2.545 1.00 63.53 C ATOM 1274 OD1 ASN A 85 5.194 -15.550 3.353 1.00 72.24 O ATOM 1275 ND2 ASN A 85 5.172 -14.574 1.354 1.00 53.23 N ATOM 0 H ASN A 85 3.251 -15.709 4.767 1.00 1.20 H new ATOM 0 HA ASN A 85 4.141 -13.000 4.594 1.00 11.01 H new ATOM 0 HB2 ASN A 85 2.526 -14.699 2.644 1.00 71.23 H new ATOM 0 HB3 ASN A 85 3.299 -13.175 2.257 1.00 71.23 H new ATOM 0 HD21 ASN A 85 6.041 -15.031 1.079 1.00 53.23 H new ATOM 0 HD22 ASN A 85 4.700 -13.943 0.706 1.00 53.23 H new ATOM 1282 N LYS A 86 0.880 -13.620 4.635 1.00 3.44 N ATOM 1283 CA LYS A 86 -0.456 -13.023 4.776 1.00 0.10 C ATOM 1284 C LYS A 86 -0.571 -12.152 6.045 1.00 11.13 C ATOM 1285 O LYS A 86 -1.206 -11.097 6.027 1.00 60.14 O ATOM 1286 CB LYS A 86 -1.522 -14.129 4.793 1.00 32.41 C ATOM 1287 CG LYS A 86 -2.954 -13.613 4.687 1.00 44.01 C ATOM 1288 CD LYS A 86 -3.968 -14.754 4.670 1.00 44.45 C ATOM 1289 CE LYS A 86 -3.806 -15.651 3.448 1.00 40.12 C ATOM 1290 NZ LYS A 86 -4.805 -16.750 3.437 1.00 45.32 N ATOM 0 H LYS A 86 0.876 -14.638 4.574 1.00 3.44 H new ATOM 0 HA LYS A 86 -0.619 -12.370 3.919 1.00 0.10 H new ATOM 0 HB2 LYS A 86 -1.332 -14.815 3.968 1.00 32.41 H new ATOM 0 HB3 LYS A 86 -1.421 -14.703 5.714 1.00 32.41 H new ATOM 0 HG2 LYS A 86 -3.165 -12.952 5.527 1.00 44.01 H new ATOM 0 HG3 LYS A 86 -3.060 -13.019 3.779 1.00 44.01 H new ATOM 0 HD2 LYS A 86 -3.855 -15.352 5.575 1.00 44.45 H new ATOM 0 HD3 LYS A 86 -4.977 -14.341 4.684 1.00 44.45 H new ATOM 0 HE2 LYS A 86 -3.911 -15.054 2.542 1.00 40.12 H new ATOM 0 HE3 LYS A 86 -2.801 -16.073 3.437 1.00 40.12 H new ATOM 0 HZ1 LYS A 86 -4.664 -17.339 2.592 1.00 45.32 H new ATOM 0 HZ2 LYS A 86 -4.688 -17.334 4.289 1.00 45.32 H new ATOM 0 HZ3 LYS A 86 -5.764 -16.347 3.422 1.00 45.32 H new ATOM 1304 N PHE A 87 0.056 -12.598 7.134 1.00 34.55 N ATOM 1305 CA PHE A 87 0.038 -11.860 8.406 1.00 14.43 C ATOM 1306 C PHE A 87 0.709 -10.483 8.257 1.00 52.13 C ATOM 1307 O PHE A 87 0.110 -9.448 8.567 1.00 41.42 O ATOM 1308 CB PHE A 87 0.752 -12.684 9.489 1.00 51.55 C ATOM 1309 CG PHE A 87 0.628 -12.118 10.884 1.00 51.43 C ATOM 1310 CD1 PHE A 87 -0.515 -12.345 11.639 1.00 60.12 C ATOM 1311 CD2 PHE A 87 1.654 -11.368 11.443 1.00 12.41 C ATOM 1312 CE1 PHE A 87 -0.631 -11.835 12.918 1.00 63.45 C ATOM 1313 CE2 PHE A 87 1.543 -10.859 12.723 1.00 5.22 C ATOM 1314 CZ PHE A 87 0.399 -11.092 13.460 1.00 13.14 C ATOM 0 H PHE A 87 0.585 -13.469 7.165 1.00 34.55 H new ATOM 0 HA PHE A 87 -0.999 -11.697 8.698 1.00 14.43 H new ATOM 0 HB2 PHE A 87 0.349 -13.697 9.483 1.00 51.55 H new ATOM 0 HB3 PHE A 87 1.809 -12.760 9.233 1.00 51.55 H new ATOM 0 HD1 PHE A 87 -1.323 -12.927 11.222 1.00 60.12 H new ATOM 0 HD2 PHE A 87 2.550 -11.180 10.870 1.00 12.41 H new ATOM 0 HE1 PHE A 87 -1.527 -12.017 13.493 1.00 63.45 H new ATOM 0 HE2 PHE A 87 2.350 -10.280 13.146 1.00 5.22 H new ATOM 0 HZ PHE A 87 0.310 -10.693 14.460 1.00 13.14 H new ATOM 1324 N ALA A 88 1.951 -10.481 7.772 1.00 11.40 N ATOM 1325 CA ALA A 88 2.696 -9.239 7.539 1.00 44.33 C ATOM 1326 C ALA A 88 2.029 -8.382 6.452 1.00 75.03 C ATOM 1327 O ALA A 88 1.981 -7.159 6.551 1.00 61.34 O ATOM 1328 CB ALA A 88 4.139 -9.550 7.154 1.00 4.33 C ATOM 0 H ALA A 88 2.466 -11.328 7.531 1.00 11.40 H new ATOM 0 HA ALA A 88 2.691 -8.668 8.467 1.00 44.33 H new ATOM 0 HB1 ALA A 88 4.679 -8.619 6.984 1.00 4.33 H new ATOM 0 HB2 ALA A 88 4.619 -10.106 7.959 1.00 4.33 H new ATOM 0 HB3 ALA A 88 4.152 -10.148 6.243 1.00 4.33 H new ATOM 1334 N PHE A 89 1.513 -9.045 5.420 1.00 31.45 N ATOM 1335 CA PHE A 89 0.803 -8.375 4.327 1.00 5.52 C ATOM 1336 C PHE A 89 -0.418 -7.607 4.856 1.00 74.13 C ATOM 1337 O PHE A 89 -0.585 -6.419 4.589 1.00 14.12 O ATOM 1338 CB PHE A 89 0.364 -9.415 3.283 1.00 1.41 C ATOM 1339 CG PHE A 89 -0.245 -8.829 2.031 1.00 73.04 C ATOM 1340 CD1 PHE A 89 0.565 -8.409 0.983 1.00 20.10 C ATOM 1341 CD2 PHE A 89 -1.623 -8.708 1.897 1.00 24.43 C ATOM 1342 CE1 PHE A 89 0.013 -7.883 -0.168 1.00 15.34 C ATOM 1343 CE2 PHE A 89 -2.177 -8.183 0.745 1.00 24.34 C ATOM 1344 CZ PHE A 89 -1.358 -7.769 -0.287 1.00 61.14 C ATOM 0 H PHE A 89 1.573 -10.058 5.315 1.00 31.45 H new ATOM 0 HA PHE A 89 1.478 -7.657 3.861 1.00 5.52 H new ATOM 0 HB2 PHE A 89 1.228 -10.017 3.003 1.00 1.41 H new ATOM 0 HB3 PHE A 89 -0.359 -10.089 3.742 1.00 1.41 H new ATOM 0 HD1 PHE A 89 1.638 -8.495 1.070 1.00 20.10 H new ATOM 0 HD2 PHE A 89 -2.268 -9.028 2.702 1.00 24.43 H new ATOM 0 HE1 PHE A 89 0.654 -7.561 -0.975 1.00 15.34 H new ATOM 0 HE2 PHE A 89 -3.249 -8.097 0.652 1.00 24.34 H new ATOM 0 HZ PHE A 89 -1.790 -7.356 -1.187 1.00 61.14 H new ATOM 1354 N ARG A 90 -1.256 -8.298 5.620 1.00 65.15 N ATOM 1355 CA ARG A 90 -2.456 -7.694 6.204 1.00 11.13 C ATOM 1356 C ARG A 90 -2.107 -6.504 7.111 1.00 73.33 C ATOM 1357 O ARG A 90 -2.683 -5.423 6.972 1.00 43.12 O ATOM 1358 CB ARG A 90 -3.255 -8.753 6.990 1.00 74.34 C ATOM 1359 CG ARG A 90 -4.608 -9.115 6.369 1.00 35.24 C ATOM 1360 CD ARG A 90 -5.694 -8.080 6.683 1.00 43.52 C ATOM 1361 NE ARG A 90 -5.423 -6.763 6.100 1.00 52.42 N ATOM 1362 CZ ARG A 90 -5.936 -5.640 6.544 1.00 20.35 C ATOM 1363 NH1 ARG A 90 -6.726 -5.633 7.573 1.00 23.10 N ATOM 1364 NH2 ARG A 90 -5.663 -4.526 5.948 1.00 54.02 N ATOM 0 H ARG A 90 -1.129 -9.283 5.853 1.00 65.15 H new ATOM 0 HA ARG A 90 -3.071 -7.316 5.387 1.00 11.13 H new ATOM 0 HB2 ARG A 90 -2.653 -9.658 7.072 1.00 74.34 H new ATOM 0 HB3 ARG A 90 -3.420 -8.387 8.003 1.00 74.34 H new ATOM 0 HG2 ARG A 90 -4.496 -9.203 5.288 1.00 35.24 H new ATOM 0 HG3 ARG A 90 -4.924 -10.091 6.737 1.00 35.24 H new ATOM 0 HD2 ARG A 90 -6.652 -8.444 6.312 1.00 43.52 H new ATOM 0 HD3 ARG A 90 -5.789 -7.979 7.764 1.00 43.52 H new ATOM 0 HE ARG A 90 -4.795 -6.716 5.297 1.00 52.42 H new ATOM 0 HH11 ARG A 90 -6.955 -6.507 8.046 1.00 23.10 H new ATOM 0 HH12 ARG A 90 -7.118 -4.753 7.909 1.00 23.10 H new ATOM 0 HH21 ARG A 90 -5.049 -4.521 5.133 1.00 54.02 H new ATOM 0 HH22 ARG A 90 -6.061 -3.652 6.292 1.00 54.02 H new ATOM 1378 N GLU A 91 -1.157 -6.699 8.028 1.00 43.22 N ATOM 1379 CA GLU A 91 -0.784 -5.641 8.974 1.00 64.21 C ATOM 1380 C GLU A 91 -0.170 -4.428 8.246 1.00 51.14 C ATOM 1381 O GLU A 91 -0.501 -3.285 8.553 1.00 40.01 O ATOM 1382 CB GLU A 91 0.169 -6.184 10.061 1.00 23.25 C ATOM 1383 CG GLU A 91 1.638 -6.315 9.646 1.00 52.33 C ATOM 1384 CD GLU A 91 2.546 -5.320 10.363 1.00 63.10 C ATOM 1385 OE1 GLU A 91 2.944 -5.600 11.519 1.00 23.02 O ATOM 1386 OE2 GLU A 91 2.852 -4.255 9.787 1.00 4.50 O ATOM 0 H GLU A 91 -0.636 -7.569 8.137 1.00 43.22 H new ATOM 0 HA GLU A 91 -1.694 -5.299 9.467 1.00 64.21 H new ATOM 0 HB2 GLU A 91 0.112 -5.528 10.930 1.00 23.25 H new ATOM 0 HB3 GLU A 91 -0.190 -7.164 10.377 1.00 23.25 H new ATOM 0 HG2 GLU A 91 1.981 -7.328 9.855 1.00 52.33 H new ATOM 0 HG3 GLU A 91 1.721 -6.166 8.570 1.00 52.33 H new ATOM 1393 N ALA A 92 0.693 -4.682 7.259 1.00 40.13 N ATOM 1394 CA ALA A 92 1.296 -3.607 6.456 1.00 22.50 C ATOM 1395 C ALA A 92 0.219 -2.802 5.706 1.00 70.43 C ATOM 1396 O ALA A 92 0.255 -1.569 5.674 1.00 73.22 O ATOM 1397 CB ALA A 92 2.311 -4.188 5.475 1.00 22.12 C ATOM 0 H ALA A 92 0.992 -5.621 6.994 1.00 40.13 H new ATOM 0 HA ALA A 92 1.811 -2.925 7.133 1.00 22.50 H new ATOM 0 HB1 ALA A 92 2.750 -3.383 4.886 1.00 22.12 H new ATOM 0 HB2 ALA A 92 3.096 -4.704 6.027 1.00 22.12 H new ATOM 0 HB3 ALA A 92 1.812 -4.893 4.810 1.00 22.12 H new ATOM 1403 N VAL A 93 -0.742 -3.511 5.111 1.00 1.21 N ATOM 1404 CA VAL A 93 -1.886 -2.870 4.453 1.00 42.14 C ATOM 1405 C VAL A 93 -2.705 -2.042 5.456 1.00 31.12 C ATOM 1406 O VAL A 93 -3.213 -0.969 5.121 1.00 64.31 O ATOM 1407 CB VAL A 93 -2.800 -3.917 3.759 1.00 11.24 C ATOM 1408 CG1 VAL A 93 -4.068 -3.268 3.206 1.00 4.32 C ATOM 1409 CG2 VAL A 93 -2.039 -4.634 2.645 1.00 25.33 C ATOM 0 H VAL A 93 -0.752 -4.530 5.070 1.00 1.21 H new ATOM 0 HA VAL A 93 -1.487 -2.202 3.689 1.00 42.14 H new ATOM 0 HB VAL A 93 -3.099 -4.650 4.509 1.00 11.24 H new ATOM 0 HG11 VAL A 93 -4.686 -4.027 2.727 1.00 4.32 H new ATOM 0 HG12 VAL A 93 -4.626 -2.807 4.021 1.00 4.32 H new ATOM 0 HG13 VAL A 93 -3.798 -2.506 2.475 1.00 4.32 H new ATOM 0 HG21 VAL A 93 -2.693 -5.364 2.169 1.00 25.33 H new ATOM 0 HG22 VAL A 93 -1.707 -3.906 1.904 1.00 25.33 H new ATOM 0 HG23 VAL A 93 -1.172 -5.144 3.066 1.00 25.33 H new ATOM 1419 N SER A 94 -2.818 -2.538 6.693 1.00 62.14 N ATOM 1420 CA SER A 94 -3.511 -1.802 7.762 1.00 71.42 C ATOM 1421 C SER A 94 -2.892 -0.412 7.965 1.00 43.45 C ATOM 1422 O SER A 94 -3.602 0.574 8.155 1.00 64.33 O ATOM 1423 CB SER A 94 -3.478 -2.589 9.081 1.00 51.31 C ATOM 1424 OG SER A 94 -4.148 -3.835 8.956 1.00 44.00 O ATOM 0 H SER A 94 -2.441 -3.441 6.980 1.00 62.14 H new ATOM 0 HA SER A 94 -4.550 -1.678 7.456 1.00 71.42 H new ATOM 0 HB2 SER A 94 -2.444 -2.758 9.380 1.00 51.31 H new ATOM 0 HB3 SER A 94 -3.945 -2.000 9.870 1.00 51.31 H new ATOM 0 HG SER A 94 -3.683 -4.392 8.297 1.00 44.00 H new ATOM 1430 N LYS A 95 -1.561 -0.334 7.916 1.00 54.45 N ATOM 1431 CA LYS A 95 -0.865 0.960 7.983 1.00 61.13 C ATOM 1432 C LYS A 95 -1.233 1.839 6.781 1.00 62.22 C ATOM 1433 O LYS A 95 -1.525 3.025 6.934 1.00 3.00 O ATOM 1434 CB LYS A 95 0.663 0.772 8.030 1.00 15.41 C ATOM 1435 CG LYS A 95 1.221 0.357 9.393 1.00 24.32 C ATOM 1436 CD LYS A 95 0.689 -0.995 9.852 1.00 21.51 C ATOM 1437 CE LYS A 95 1.363 -1.466 11.133 1.00 34.15 C ATOM 1438 NZ LYS A 95 2.815 -1.730 10.939 1.00 13.11 N ATOM 0 H LYS A 95 -0.944 -1.142 7.831 1.00 54.45 H new ATOM 0 HA LYS A 95 -1.186 1.453 8.901 1.00 61.13 H new ATOM 0 HB2 LYS A 95 0.944 0.019 7.294 1.00 15.41 H new ATOM 0 HB3 LYS A 95 1.138 1.705 7.728 1.00 15.41 H new ATOM 0 HG2 LYS A 95 2.309 0.317 9.340 1.00 24.32 H new ATOM 0 HG3 LYS A 95 0.965 1.115 10.133 1.00 24.32 H new ATOM 0 HD2 LYS A 95 -0.387 -0.926 10.012 1.00 21.51 H new ATOM 0 HD3 LYS A 95 0.848 -1.733 9.066 1.00 21.51 H new ATOM 0 HE2 LYS A 95 1.233 -0.711 11.909 1.00 34.15 H new ATOM 0 HE3 LYS A 95 0.874 -2.374 11.486 1.00 34.15 H new ATOM 0 HZ1 LYS A 95 3.247 -1.983 11.851 1.00 13.11 H new ATOM 0 HZ2 LYS A 95 2.939 -2.515 10.268 1.00 13.11 H new ATOM 0 HZ3 LYS A 95 3.276 -0.877 10.563 1.00 13.11 H new ATOM 1452 N LEU A 96 -1.226 1.241 5.590 1.00 31.22 N ATOM 1453 CA LEU A 96 -1.536 1.960 4.351 1.00 3.11 C ATOM 1454 C LEU A 96 -2.933 2.612 4.401 1.00 71.24 C ATOM 1455 O LEU A 96 -3.076 3.810 4.158 1.00 61.25 O ATOM 1456 CB LEU A 96 -1.443 0.996 3.157 1.00 54.42 C ATOM 1457 CG LEU A 96 -1.658 1.624 1.766 1.00 40.20 C ATOM 1458 CD1 LEU A 96 -0.580 2.662 1.462 1.00 5.15 C ATOM 1459 CD2 LEU A 96 -1.684 0.542 0.685 1.00 43.43 C ATOM 0 H LEU A 96 -1.008 0.254 5.455 1.00 31.22 H new ATOM 0 HA LEU A 96 -0.806 2.761 4.234 1.00 3.11 H new ATOM 0 HB2 LEU A 96 -0.461 0.523 3.173 1.00 54.42 H new ATOM 0 HB3 LEU A 96 -2.180 0.205 3.295 1.00 54.42 H new ATOM 0 HG LEU A 96 -2.623 2.131 1.770 1.00 40.20 H new ATOM 0 HD11 LEU A 96 -0.755 3.090 0.475 1.00 5.15 H new ATOM 0 HD12 LEU A 96 -0.615 3.453 2.211 1.00 5.15 H new ATOM 0 HD13 LEU A 96 0.400 2.185 1.482 1.00 5.15 H new ATOM 0 HD21 LEU A 96 -1.837 1.005 -0.290 1.00 43.43 H new ATOM 0 HD22 LEU A 96 -0.736 0.003 0.686 1.00 43.43 H new ATOM 0 HD23 LEU A 96 -2.498 -0.155 0.887 1.00 43.43 H new ATOM 1471 N GLU A 97 -3.958 1.824 4.743 1.00 40.22 N ATOM 1472 CA GLU A 97 -5.338 2.337 4.803 1.00 60.32 C ATOM 1473 C GLU A 97 -5.509 3.404 5.902 1.00 13.24 C ATOM 1474 O GLU A 97 -6.149 4.435 5.683 1.00 40.25 O ATOM 1475 CB GLU A 97 -6.341 1.188 5.011 1.00 43.41 C ATOM 1476 CG GLU A 97 -6.107 0.370 6.278 1.00 11.10 C ATOM 1477 CD GLU A 97 -7.099 -0.775 6.441 1.00 0.45 C ATOM 1478 OE1 GLU A 97 -8.282 -0.507 6.742 1.00 70.22 O ATOM 1479 OE2 GLU A 97 -6.701 -1.952 6.286 1.00 1.15 O ATOM 0 H GLU A 97 -3.864 0.837 4.981 1.00 40.22 H new ATOM 0 HA GLU A 97 -5.544 2.814 3.845 1.00 60.32 H new ATOM 0 HB2 GLU A 97 -7.349 1.602 5.041 1.00 43.41 H new ATOM 0 HB3 GLU A 97 -6.296 0.522 4.149 1.00 43.41 H new ATOM 0 HG2 GLU A 97 -5.095 -0.034 6.261 1.00 11.10 H new ATOM 0 HG3 GLU A 97 -6.174 1.027 7.145 1.00 11.10 H new ATOM 1486 N LEU A 98 -4.929 3.156 7.080 1.00 10.43 N ATOM 1487 CA LEU A 98 -4.995 4.111 8.194 1.00 21.21 C ATOM 1488 C LEU A 98 -4.292 5.432 7.849 1.00 63.44 C ATOM 1489 O LEU A 98 -4.776 6.514 8.190 1.00 1.23 O ATOM 1490 CB LEU A 98 -4.378 3.508 9.465 1.00 14.40 C ATOM 1491 CG LEU A 98 -5.166 2.345 10.090 1.00 32.21 C ATOM 1492 CD1 LEU A 98 -4.414 1.764 11.283 1.00 54.22 C ATOM 1493 CD2 LEU A 98 -6.565 2.800 10.503 1.00 43.13 C ATOM 0 H LEU A 98 -4.409 2.304 7.288 1.00 10.43 H new ATOM 0 HA LEU A 98 -6.049 4.324 8.375 1.00 21.21 H new ATOM 0 HB2 LEU A 98 -3.372 3.159 9.231 1.00 14.40 H new ATOM 0 HB3 LEU A 98 -4.276 4.298 10.209 1.00 14.40 H new ATOM 0 HG LEU A 98 -5.271 1.562 9.339 1.00 32.21 H new ATOM 0 HD11 LEU A 98 -4.989 0.942 11.710 1.00 54.22 H new ATOM 0 HD12 LEU A 98 -3.442 1.395 10.956 1.00 54.22 H new ATOM 0 HD13 LEU A 98 -4.273 2.539 12.037 1.00 54.22 H new ATOM 0 HD21 LEU A 98 -7.105 1.962 10.943 1.00 43.13 H new ATOM 0 HD22 LEU A 98 -6.485 3.604 11.235 1.00 43.13 H new ATOM 0 HD23 LEU A 98 -7.104 3.159 9.627 1.00 43.13 H new ATOM 1505 N SER A 99 -3.153 5.338 7.174 1.00 14.43 N ATOM 1506 CA SER A 99 -2.387 6.526 6.786 1.00 53.44 C ATOM 1507 C SER A 99 -3.101 7.313 5.674 1.00 50.21 C ATOM 1508 O SER A 99 -3.137 8.545 5.695 1.00 62.13 O ATOM 1509 CB SER A 99 -0.978 6.125 6.338 1.00 11.44 C ATOM 1510 OG SER A 99 -0.178 7.262 6.067 1.00 52.42 O ATOM 0 H SER A 99 -2.736 4.454 6.882 1.00 14.43 H new ATOM 0 HA SER A 99 -2.309 7.176 7.657 1.00 53.44 H new ATOM 0 HB2 SER A 99 -0.506 5.523 7.114 1.00 11.44 H new ATOM 0 HB3 SER A 99 -1.042 5.502 5.446 1.00 11.44 H new ATOM 0 HG SER A 99 0.753 6.984 5.941 1.00 52.42 H new ATOM 1516 N LEU A 100 -3.688 6.598 4.715 1.00 50.11 N ATOM 1517 CA LEU A 100 -4.448 7.228 3.625 1.00 75.32 C ATOM 1518 C LEU A 100 -5.680 7.995 4.143 1.00 52.33 C ATOM 1519 O LEU A 100 -5.982 9.094 3.670 1.00 51.24 O ATOM 1520 CB LEU A 100 -4.890 6.172 2.596 1.00 52.34 C ATOM 1521 CG LEU A 100 -3.767 5.597 1.714 1.00 22.41 C ATOM 1522 CD1 LEU A 100 -4.281 4.432 0.870 1.00 35.04 C ATOM 1523 CD2 LEU A 100 -3.182 6.685 0.817 1.00 34.11 C ATOM 0 H LEU A 100 -3.654 5.580 4.667 1.00 50.11 H new ATOM 0 HA LEU A 100 -3.783 7.948 3.148 1.00 75.32 H new ATOM 0 HB2 LEU A 100 -5.368 5.349 3.128 1.00 52.34 H new ATOM 0 HB3 LEU A 100 -5.646 6.615 1.948 1.00 52.34 H new ATOM 0 HG LEU A 100 -2.979 5.224 2.368 1.00 22.41 H new ATOM 0 HD11 LEU A 100 -3.470 4.042 0.255 1.00 35.04 H new ATOM 0 HD12 LEU A 100 -4.651 3.643 1.525 1.00 35.04 H new ATOM 0 HD13 LEU A 100 -5.090 4.778 0.226 1.00 35.04 H new ATOM 0 HD21 LEU A 100 -2.389 6.261 0.200 1.00 34.11 H new ATOM 0 HD22 LEU A 100 -3.965 7.087 0.175 1.00 34.11 H new ATOM 0 HD23 LEU A 100 -2.773 7.485 1.434 1.00 34.11 H new ATOM 1535 N GLN A 101 -6.397 7.412 5.108 1.00 41.03 N ATOM 1536 CA GLN A 101 -7.612 8.045 5.645 1.00 13.35 C ATOM 1537 C GLN A 101 -7.292 9.284 6.501 1.00 20.51 C ATOM 1538 O GLN A 101 -8.047 10.255 6.495 1.00 61.24 O ATOM 1539 CB GLN A 101 -8.457 7.041 6.448 1.00 64.13 C ATOM 1540 CG GLN A 101 -7.787 6.515 7.713 1.00 5.30 C ATOM 1541 CD GLN A 101 -8.701 5.610 8.524 1.00 65.41 C ATOM 1542 OE1 GLN A 101 -8.728 4.397 8.337 1.00 50.30 O ATOM 1543 NE2 GLN A 101 -9.461 6.195 9.427 1.00 53.53 N ATOM 0 H GLN A 101 -6.164 6.514 5.531 1.00 41.03 H new ATOM 0 HA GLN A 101 -8.195 8.380 4.787 1.00 13.35 H new ATOM 0 HB2 GLN A 101 -9.399 7.517 6.722 1.00 64.13 H new ATOM 0 HB3 GLN A 101 -8.702 6.196 5.804 1.00 64.13 H new ATOM 0 HG2 GLN A 101 -6.886 5.966 7.441 1.00 5.30 H new ATOM 0 HG3 GLN A 101 -7.473 7.357 8.331 1.00 5.30 H new ATOM 0 HE21 GLN A 101 -9.413 7.206 9.556 1.00 53.53 H new ATOM 0 HE22 GLN A 101 -10.097 5.637 9.997 1.00 53.53 H new ATOM 1552 N GLU A 102 -6.175 9.256 7.234 1.00 13.33 N ATOM 1553 CA GLU A 102 -5.761 10.426 8.023 1.00 32.30 C ATOM 1554 C GLU A 102 -5.111 11.499 7.135 1.00 11.24 C ATOM 1555 O GLU A 102 -5.277 12.692 7.373 1.00 50.33 O ATOM 1556 CB GLU A 102 -4.804 10.032 9.158 1.00 0.21 C ATOM 1557 CG GLU A 102 -3.488 9.414 8.692 1.00 72.24 C ATOM 1558 CD GLU A 102 -2.509 9.183 9.833 1.00 20.25 C ATOM 1559 OE1 GLU A 102 -2.801 8.355 10.721 1.00 54.50 O ATOM 1560 OE2 GLU A 102 -1.441 9.829 9.850 1.00 10.31 O ATOM 0 H GLU A 102 -5.549 8.453 7.299 1.00 13.33 H new ATOM 0 HA GLU A 102 -6.664 10.844 8.467 1.00 32.30 H new ATOM 0 HB2 GLU A 102 -4.584 10.918 9.754 1.00 0.21 H new ATOM 0 HB3 GLU A 102 -5.311 9.324 9.814 1.00 0.21 H new ATOM 0 HG2 GLU A 102 -3.693 8.465 8.197 1.00 72.24 H new ATOM 0 HG3 GLU A 102 -3.027 10.067 7.951 1.00 72.24 H new ATOM 1567 N LEU A 103 -4.380 11.074 6.106 1.00 12.05 N ATOM 1568 CA LEU A 103 -3.743 12.009 5.170 1.00 44.53 C ATOM 1569 C LEU A 103 -4.778 12.936 4.515 1.00 31.33 C ATOM 1570 O LEU A 103 -4.667 14.160 4.579 1.00 61.15 O ATOM 1571 CB LEU A 103 -2.975 11.236 4.084 1.00 13.55 C ATOM 1572 CG LEU A 103 -2.247 12.103 3.039 1.00 20.42 C ATOM 1573 CD1 LEU A 103 -1.198 12.991 3.705 1.00 54.23 C ATOM 1574 CD2 LEU A 103 -1.604 11.230 1.966 1.00 43.22 C ATOM 0 H LEU A 103 -4.212 10.090 5.896 1.00 12.05 H new ATOM 0 HA LEU A 103 -3.045 12.624 5.738 1.00 44.53 H new ATOM 0 HB2 LEU A 103 -2.242 10.593 4.571 1.00 13.55 H new ATOM 0 HB3 LEU A 103 -3.676 10.583 3.564 1.00 13.55 H new ATOM 0 HG LEU A 103 -2.986 12.746 2.561 1.00 20.42 H new ATOM 0 HD11 LEU A 103 -0.697 13.594 2.947 1.00 54.23 H new ATOM 0 HD12 LEU A 103 -1.683 13.647 4.428 1.00 54.23 H new ATOM 0 HD13 LEU A 103 -0.464 12.367 4.215 1.00 54.23 H new ATOM 0 HD21 LEU A 103 -1.096 11.863 1.239 1.00 43.22 H new ATOM 0 HD22 LEU A 103 -0.882 10.557 2.429 1.00 43.22 H new ATOM 0 HD23 LEU A 103 -2.374 10.645 1.463 1.00 43.22 H new ATOM 1586 N GLN A 104 -5.802 12.342 3.910 1.00 22.23 N ATOM 1587 CA GLN A 104 -6.829 13.102 3.182 1.00 64.24 C ATOM 1588 C GLN A 104 -7.556 14.137 4.069 1.00 13.42 C ATOM 1589 O GLN A 104 -8.120 15.106 3.561 1.00 44.33 O ATOM 1590 CB GLN A 104 -7.849 12.134 2.565 1.00 33.32 C ATOM 1591 CG GLN A 104 -8.549 11.248 3.588 1.00 20.51 C ATOM 1592 CD GLN A 104 -9.452 10.208 2.950 1.00 23.10 C ATOM 1593 OE1 GLN A 104 -10.632 10.444 2.724 1.00 50.44 O ATOM 1594 NE2 GLN A 104 -8.902 9.047 2.653 1.00 33.25 N ATOM 0 H GLN A 104 -5.948 11.333 3.906 1.00 22.23 H new ATOM 0 HA GLN A 104 -6.317 13.662 2.399 1.00 64.24 H new ATOM 0 HB2 GLN A 104 -8.599 12.708 2.021 1.00 33.32 H new ATOM 0 HB3 GLN A 104 -7.342 11.502 1.836 1.00 33.32 H new ATOM 0 HG2 GLN A 104 -7.799 10.745 4.199 1.00 20.51 H new ATOM 0 HG3 GLN A 104 -9.140 11.873 4.258 1.00 20.51 H new ATOM 0 HE21 GLN A 104 -7.916 8.883 2.855 1.00 33.25 H new ATOM 0 HE22 GLN A 104 -9.463 8.312 2.221 1.00 33.25 H new ATOM 1603 N VAL A 105 -7.550 13.931 5.389 1.00 11.00 N ATOM 1604 CA VAL A 105 -8.242 14.848 6.313 1.00 70.42 C ATOM 1605 C VAL A 105 -7.266 15.708 7.143 1.00 4.25 C ATOM 1606 O VAL A 105 -7.638 16.772 7.640 1.00 75.12 O ATOM 1607 CB VAL A 105 -9.183 14.076 7.275 1.00 12.11 C ATOM 1608 CG1 VAL A 105 -10.241 13.301 6.492 1.00 52.41 C ATOM 1609 CG2 VAL A 105 -8.389 13.144 8.191 1.00 64.53 C ATOM 0 H VAL A 105 -7.080 13.148 5.843 1.00 11.00 H new ATOM 0 HA VAL A 105 -8.830 15.515 5.683 1.00 70.42 H new ATOM 0 HB VAL A 105 -9.693 14.806 7.904 1.00 12.11 H new ATOM 0 HG11 VAL A 105 -10.890 12.767 7.187 1.00 52.41 H new ATOM 0 HG12 VAL A 105 -10.837 13.996 5.900 1.00 52.41 H new ATOM 0 HG13 VAL A 105 -9.753 12.586 5.830 1.00 52.41 H new ATOM 0 HG21 VAL A 105 -9.074 12.616 8.854 1.00 64.53 H new ATOM 0 HG22 VAL A 105 -7.839 12.422 7.587 1.00 64.53 H new ATOM 0 HG23 VAL A 105 -7.687 13.729 8.785 1.00 64.53 H new ATOM 1619 N SER A 106 -6.020 15.256 7.287 1.00 30.41 N ATOM 1620 CA SER A 106 -5.035 15.952 8.141 1.00 14.33 C ATOM 1621 C SER A 106 -3.793 16.418 7.363 1.00 65.43 C ATOM 1622 O SER A 106 -2.816 16.855 7.968 1.00 52.35 O ATOM 1623 CB SER A 106 -4.593 15.037 9.297 1.00 51.51 C ATOM 1624 OG SER A 106 -5.693 14.626 10.099 1.00 55.21 O ATOM 0 H SER A 106 -5.663 14.417 6.830 1.00 30.41 H new ATOM 0 HA SER A 106 -5.534 16.840 8.529 1.00 14.33 H new ATOM 0 HB2 SER A 106 -4.090 14.158 8.893 1.00 51.51 H new ATOM 0 HB3 SER A 106 -3.867 15.562 9.918 1.00 51.51 H new ATOM 0 HG SER A 106 -5.373 14.046 10.821 1.00 55.21 H new ATOM 1630 N SER A 107 -3.824 16.335 6.034 1.00 51.40 N ATOM 1631 CA SER A 107 -2.681 16.776 5.208 1.00 50.02 C ATOM 1632 C SER A 107 -2.491 18.297 5.256 1.00 64.40 C ATOM 1633 O SER A 107 -1.364 18.779 5.356 1.00 63.14 O ATOM 1634 CB SER A 107 -2.854 16.338 3.745 1.00 74.21 C ATOM 1635 OG SER A 107 -1.711 16.675 2.969 1.00 23.40 O ATOM 0 H SER A 107 -4.615 15.972 5.502 1.00 51.40 H new ATOM 0 HA SER A 107 -1.795 16.301 5.628 1.00 50.02 H new ATOM 0 HB2 SER A 107 -3.022 15.262 3.702 1.00 74.21 H new ATOM 0 HB3 SER A 107 -3.738 16.815 3.322 1.00 74.21 H new ATOM 0 HG SER A 107 -1.902 17.474 2.435 1.00 23.40 H new ATOM 1641 N ALA A 108 -3.603 19.041 5.191 1.00 41.15 N ATOM 1642 CA ALA A 108 -3.575 20.514 5.120 1.00 73.25 C ATOM 1643 C ALA A 108 -2.979 20.997 3.786 1.00 62.34 C ATOM 1644 O ALA A 108 -3.660 21.635 2.981 1.00 4.24 O ATOM 1645 CB ALA A 108 -2.816 21.107 6.306 1.00 50.11 C ATOM 0 H ALA A 108 -4.543 18.645 5.186 1.00 41.15 H new ATOM 0 HA ALA A 108 -4.605 20.867 5.171 1.00 73.25 H new ATOM 0 HB1 ALA A 108 -2.811 22.194 6.228 1.00 50.11 H new ATOM 0 HB2 ALA A 108 -3.304 20.812 7.235 1.00 50.11 H new ATOM 0 HB3 ALA A 108 -1.790 20.738 6.303 1.00 50.11 H new ATOM 1651 N ALA A 109 -1.704 20.688 3.566 1.00 72.13 N ATOM 1652 CA ALA A 109 -1.034 20.974 2.297 1.00 51.25 C ATOM 1653 C ALA A 109 -1.697 20.226 1.127 1.00 0.43 C ATOM 1654 O ALA A 109 -1.886 19.006 1.183 1.00 23.12 O ATOM 1655 CB ALA A 109 0.436 20.590 2.402 1.00 31.13 C ATOM 0 H ALA A 109 -1.107 20.234 4.258 1.00 72.13 H new ATOM 0 HA ALA A 109 -1.121 22.042 2.096 1.00 51.25 H new ATOM 0 HB1 ALA A 109 0.936 20.803 1.457 1.00 31.13 H new ATOM 0 HB2 ALA A 109 0.906 21.166 3.199 1.00 31.13 H new ATOM 0 HB3 ALA A 109 0.519 19.526 2.625 1.00 31.13 H new ATOM 1661 N ALA A 110 -2.042 20.960 0.071 1.00 73.55 N ATOM 1662 CA ALA A 110 -2.683 20.378 -1.115 1.00 40.11 C ATOM 1663 C ALA A 110 -1.748 19.412 -1.867 1.00 74.24 C ATOM 1664 O ALA A 110 -2.189 18.380 -2.371 1.00 34.05 O ATOM 1665 CB ALA A 110 -3.162 21.486 -2.047 1.00 23.11 C ATOM 0 H ALA A 110 -1.889 21.966 0.009 1.00 73.55 H new ATOM 0 HA ALA A 110 -3.539 19.796 -0.773 1.00 40.11 H new ATOM 0 HB1 ALA A 110 -3.636 21.044 -2.924 1.00 23.11 H new ATOM 0 HB2 ALA A 110 -3.882 22.116 -1.524 1.00 23.11 H new ATOM 0 HB3 ALA A 110 -2.311 22.091 -2.361 1.00 23.11 H new ATOM 1671 N GLY A 111 -0.464 19.754 -1.952 1.00 21.22 N ATOM 1672 CA GLY A 111 0.494 18.878 -2.624 1.00 34.15 C ATOM 1673 C GLY A 111 1.943 19.346 -2.517 1.00 72.44 C ATOM 1674 O GLY A 111 2.601 19.593 -3.530 1.00 13.23 O ATOM 0 H GLY A 111 -0.068 20.614 -1.572 1.00 21.22 H new ATOM 0 HA2 GLY A 111 0.414 17.877 -2.201 1.00 34.15 H new ATOM 0 HA3 GLY A 111 0.224 18.802 -3.677 1.00 34.15 H new ATOM 1678 N VAL A 112 2.449 19.463 -1.293 1.00 2.04 N ATOM 1679 CA VAL A 112 3.846 19.857 -1.067 1.00 43.22 C ATOM 1680 C VAL A 112 4.748 18.616 -0.881 1.00 44.41 C ATOM 1681 O VAL A 112 4.472 17.759 -0.036 1.00 63.42 O ATOM 1682 CB VAL A 112 3.974 20.786 0.171 1.00 52.15 C ATOM 1683 CG1 VAL A 112 5.424 21.215 0.392 1.00 51.21 C ATOM 1684 CG2 VAL A 112 3.062 22.007 0.030 1.00 73.23 C ATOM 0 H VAL A 112 1.917 19.292 -0.440 1.00 2.04 H new ATOM 0 HA VAL A 112 4.176 20.404 -1.950 1.00 43.22 H new ATOM 0 HB VAL A 112 3.656 20.221 1.047 1.00 52.15 H new ATOM 0 HG11 VAL A 112 5.482 21.865 1.265 1.00 51.21 H new ATOM 0 HG12 VAL A 112 6.044 20.333 0.554 1.00 51.21 H new ATOM 0 HG13 VAL A 112 5.782 21.754 -0.485 1.00 51.21 H new ATOM 0 HG21 VAL A 112 3.168 22.644 0.908 1.00 73.23 H new ATOM 0 HG22 VAL A 112 3.341 22.569 -0.861 1.00 73.23 H new ATOM 0 HG23 VAL A 112 2.026 21.679 -0.058 1.00 73.23 H new ATOM 1694 N PRO A 113 5.839 18.501 -1.666 1.00 41.34 N ATOM 1695 CA PRO A 113 6.735 17.325 -1.616 1.00 1.11 C ATOM 1696 C PRO A 113 7.447 17.151 -0.259 1.00 72.31 C ATOM 1697 O PRO A 113 8.144 18.054 0.212 1.00 4.05 O ATOM 1698 CB PRO A 113 7.759 17.612 -2.728 1.00 41.02 C ATOM 1699 CG PRO A 113 7.725 19.094 -2.901 1.00 53.41 C ATOM 1700 CD PRO A 113 6.297 19.497 -2.655 1.00 44.21 C ATOM 0 HA PRO A 113 6.178 16.397 -1.748 1.00 1.11 H new ATOM 0 HB2 PRO A 113 8.755 17.269 -2.447 1.00 41.02 H new ATOM 0 HB3 PRO A 113 7.494 17.099 -3.653 1.00 41.02 H new ATOM 0 HG2 PRO A 113 8.398 19.586 -2.199 1.00 53.41 H new ATOM 0 HG3 PRO A 113 8.046 19.379 -3.903 1.00 53.41 H new ATOM 0 HD2 PRO A 113 6.225 20.513 -2.268 1.00 44.21 H new ATOM 0 HD3 PRO A 113 5.704 19.461 -3.569 1.00 44.21 H new ATOM 1708 N GLY A 114 7.264 15.983 0.359 1.00 71.32 N ATOM 1709 CA GLY A 114 7.935 15.665 1.619 1.00 10.52 C ATOM 1710 C GLY A 114 7.584 16.604 2.776 1.00 34.25 C ATOM 1711 O GLY A 114 8.384 16.788 3.694 1.00 44.44 O ATOM 0 H GLY A 114 6.657 15.243 0.007 1.00 71.32 H new ATOM 0 HA2 GLY A 114 7.680 14.645 1.905 1.00 10.52 H new ATOM 0 HA3 GLY A 114 9.013 15.692 1.460 1.00 10.52 H new ATOM 1715 N THR A 115 6.392 17.198 2.741 1.00 60.52 N ATOM 1716 CA THR A 115 5.954 18.104 3.817 1.00 54.14 C ATOM 1717 C THR A 115 5.522 17.337 5.079 1.00 21.41 C ATOM 1718 O THR A 115 6.002 17.611 6.179 1.00 72.54 O ATOM 1719 CB THR A 115 4.793 19.035 3.362 1.00 43.42 C ATOM 1720 OG1 THR A 115 4.388 19.898 4.437 1.00 44.13 O ATOM 1721 CG2 THR A 115 3.587 18.238 2.867 1.00 45.13 C ATOM 0 H THR A 115 5.714 17.074 1.990 1.00 60.52 H new ATOM 0 HA THR A 115 6.822 18.717 4.058 1.00 54.14 H new ATOM 0 HB THR A 115 5.169 19.635 2.533 1.00 43.42 H new ATOM 0 HG1 THR A 115 3.658 20.478 4.134 1.00 44.13 H new ATOM 0 HG21 THR A 115 2.799 18.925 2.559 1.00 45.13 H new ATOM 0 HG22 THR A 115 3.882 17.620 2.019 1.00 45.13 H new ATOM 0 HG23 THR A 115 3.218 17.599 3.670 1.00 45.13 H new ATOM 1729 N ASN A 116 4.639 16.356 4.913 1.00 51.24 N ATOM 1730 CA ASN A 116 4.073 15.618 6.048 1.00 62.12 C ATOM 1731 C ASN A 116 4.702 14.220 6.191 1.00 52.24 C ATOM 1732 O ASN A 116 4.808 13.478 5.211 1.00 31.15 O ATOM 1733 CB ASN A 116 2.553 15.490 5.876 1.00 31.04 C ATOM 1734 CG ASN A 116 1.855 16.839 5.906 1.00 75.22 C ATOM 1735 OD1 ASN A 116 2.286 17.757 6.590 1.00 32.34 O ATOM 1736 ND2 ASN A 116 0.779 16.974 5.159 1.00 15.51 N ATOM 0 H ASN A 116 4.297 16.050 4.002 1.00 51.24 H new ATOM 0 HA ASN A 116 4.297 16.178 6.956 1.00 62.12 H new ATOM 0 HB2 ASN A 116 2.337 14.992 4.931 1.00 31.04 H new ATOM 0 HB3 ASN A 116 2.152 14.858 6.668 1.00 31.04 H new ATOM 0 HD21 ASN A 116 0.280 17.863 5.140 1.00 15.51 H new ATOM 0 HD22 ASN A 116 0.445 16.189 4.600 1.00 15.51 H new ATOM 1743 N PRO A 117 5.104 13.832 7.424 1.00 21.54 N ATOM 1744 CA PRO A 117 5.688 12.500 7.700 1.00 33.22 C ATOM 1745 C PRO A 117 4.761 11.347 7.277 1.00 41.05 C ATOM 1746 O PRO A 117 5.206 10.215 7.075 1.00 51.21 O ATOM 1747 CB PRO A 117 5.899 12.504 9.230 1.00 4.22 C ATOM 1748 CG PRO A 117 5.052 13.624 9.739 1.00 40.45 C ATOM 1749 CD PRO A 117 5.034 14.655 8.646 1.00 30.43 C ATOM 0 HA PRO A 117 6.606 12.337 7.135 1.00 33.22 H new ATOM 0 HB2 PRO A 117 5.601 11.553 9.671 1.00 4.22 H new ATOM 0 HB3 PRO A 117 6.948 12.658 9.482 1.00 4.22 H new ATOM 0 HG2 PRO A 117 4.044 13.279 9.967 1.00 40.45 H new ATOM 0 HG3 PRO A 117 5.463 14.038 10.660 1.00 40.45 H new ATOM 0 HD2 PRO A 117 4.128 15.261 8.675 1.00 30.43 H new ATOM 0 HD3 PRO A 117 5.878 15.340 8.722 1.00 30.43 H new ATOM 1757 N VAL A 118 3.469 11.650 7.135 1.00 12.10 N ATOM 1758 CA VAL A 118 2.486 10.679 6.641 1.00 63.03 C ATOM 1759 C VAL A 118 2.936 10.066 5.302 1.00 1.22 C ATOM 1760 O VAL A 118 2.791 8.866 5.076 1.00 32.20 O ATOM 1761 CB VAL A 118 1.091 11.334 6.462 1.00 5.05 C ATOM 1762 CG1 VAL A 118 0.055 10.304 6.020 1.00 72.33 C ATOM 1763 CG2 VAL A 118 0.645 12.026 7.748 1.00 53.21 C ATOM 0 H VAL A 118 3.076 12.565 7.356 1.00 12.10 H new ATOM 0 HA VAL A 118 2.413 9.889 7.388 1.00 63.03 H new ATOM 0 HB VAL A 118 1.175 12.088 5.680 1.00 5.05 H new ATOM 0 HG11 VAL A 118 -0.914 10.790 5.902 1.00 72.33 H new ATOM 0 HG12 VAL A 118 0.360 9.866 5.069 1.00 72.33 H new ATOM 0 HG13 VAL A 118 -0.022 9.519 6.773 1.00 72.33 H new ATOM 0 HG21 VAL A 118 -0.336 12.477 7.597 1.00 53.21 H new ATOM 0 HG22 VAL A 118 0.587 11.294 8.554 1.00 53.21 H new ATOM 0 HG23 VAL A 118 1.364 12.801 8.012 1.00 53.21 H new ATOM 1773 N LEU A 119 3.509 10.900 4.430 1.00 60.11 N ATOM 1774 CA LEU A 119 4.036 10.433 3.140 1.00 64.31 C ATOM 1775 C LEU A 119 5.166 9.411 3.348 1.00 65.11 C ATOM 1776 O LEU A 119 5.245 8.399 2.649 1.00 14.41 O ATOM 1777 CB LEU A 119 4.558 11.622 2.320 1.00 53.42 C ATOM 1778 CG LEU A 119 3.538 12.744 2.063 1.00 2.51 C ATOM 1779 CD1 LEU A 119 4.182 13.898 1.299 1.00 43.34 C ATOM 1780 CD2 LEU A 119 2.325 12.211 1.304 1.00 51.30 C ATOM 0 H LEU A 119 3.621 11.901 4.591 1.00 60.11 H new ATOM 0 HA LEU A 119 3.224 9.949 2.597 1.00 64.31 H new ATOM 0 HB2 LEU A 119 5.419 12.048 2.836 1.00 53.42 H new ATOM 0 HB3 LEU A 119 4.914 11.251 1.359 1.00 53.42 H new ATOM 0 HG LEU A 119 3.200 13.119 3.029 1.00 2.51 H new ATOM 0 HD11 LEU A 119 3.442 14.680 1.129 1.00 43.34 H new ATOM 0 HD12 LEU A 119 5.010 14.303 1.881 1.00 43.34 H new ATOM 0 HD13 LEU A 119 4.555 13.537 0.341 1.00 43.34 H new ATOM 0 HD21 LEU A 119 1.617 13.022 1.134 1.00 51.30 H new ATOM 0 HD22 LEU A 119 2.646 11.802 0.346 1.00 51.30 H new ATOM 0 HD23 LEU A 119 1.845 11.427 1.890 1.00 51.30 H new ATOM 1792 N ASN A 120 6.033 9.692 4.323 1.00 71.44 N ATOM 1793 CA ASN A 120 7.126 8.783 4.692 1.00 42.44 C ATOM 1794 C ASN A 120 6.573 7.447 5.218 1.00 45.51 C ATOM 1795 O ASN A 120 7.101 6.376 4.910 1.00 14.34 O ATOM 1796 CB ASN A 120 8.023 9.450 5.748 1.00 40.15 C ATOM 1797 CG ASN A 120 9.147 8.549 6.231 1.00 64.13 C ATOM 1798 OD1 ASN A 120 10.222 8.498 5.644 1.00 62.13 O ATOM 1799 ND2 ASN A 120 8.914 7.850 7.321 1.00 31.43 N ATOM 0 H ASN A 120 6.000 10.548 4.876 1.00 71.44 H new ATOM 0 HA ASN A 120 7.721 8.572 3.803 1.00 42.44 H new ATOM 0 HB2 ASN A 120 8.450 10.361 5.330 1.00 40.15 H new ATOM 0 HB3 ASN A 120 7.412 9.747 6.600 1.00 40.15 H new ATOM 0 HD21 ASN A 120 9.639 7.242 7.702 1.00 31.43 H new ATOM 0 HD22 ASN A 120 8.008 7.916 7.785 1.00 31.43 H new ATOM 1806 N ASN A 121 5.504 7.521 6.015 1.00 13.12 N ATOM 1807 CA ASN A 121 4.815 6.321 6.509 1.00 74.02 C ATOM 1808 C ASN A 121 4.285 5.477 5.341 1.00 4.21 C ATOM 1809 O ASN A 121 4.537 4.273 5.267 1.00 75.34 O ATOM 1810 CB ASN A 121 3.660 6.716 7.440 1.00 30.14 C ATOM 1811 CG ASN A 121 4.131 7.527 8.633 1.00 43.43 C ATOM 1812 OD1 ASN A 121 5.244 7.355 9.117 1.00 54.23 O ATOM 1813 ND2 ASN A 121 3.296 8.420 9.116 1.00 14.23 N ATOM 0 H ASN A 121 5.095 8.399 6.334 1.00 13.12 H new ATOM 0 HA ASN A 121 5.533 5.722 7.069 1.00 74.02 H new ATOM 0 HB2 ASN A 121 2.925 7.293 6.879 1.00 30.14 H new ATOM 0 HB3 ASN A 121 3.156 5.816 7.792 1.00 30.14 H new ATOM 0 HD21 ASN A 121 3.568 8.993 9.915 1.00 14.23 H new ATOM 0 HD22 ASN A 121 2.376 8.540 8.692 1.00 14.23 H new ATOM 1820 N LEU A 122 3.566 6.124 4.423 1.00 21.31 N ATOM 1821 CA LEU A 122 3.073 5.461 3.210 1.00 74.12 C ATOM 1822 C LEU A 122 4.217 4.780 2.446 1.00 72.11 C ATOM 1823 O LEU A 122 4.127 3.608 2.091 1.00 43.30 O ATOM 1824 CB LEU A 122 2.370 6.475 2.292 1.00 35.33 C ATOM 1825 CG LEU A 122 1.044 7.046 2.822 1.00 70.13 C ATOM 1826 CD1 LEU A 122 0.500 8.114 1.878 1.00 30.13 C ATOM 1827 CD2 LEU A 122 0.020 5.930 3.009 1.00 44.42 C ATOM 0 H LEU A 122 3.310 7.109 4.495 1.00 21.31 H new ATOM 0 HA LEU A 122 2.359 4.697 3.517 1.00 74.12 H new ATOM 0 HB2 LEU A 122 3.053 7.304 2.106 1.00 35.33 H new ATOM 0 HB3 LEU A 122 2.180 5.997 1.331 1.00 35.33 H new ATOM 0 HG LEU A 122 1.234 7.509 3.790 1.00 70.13 H new ATOM 0 HD11 LEU A 122 -0.438 8.504 2.272 1.00 30.13 H new ATOM 0 HD12 LEU A 122 1.223 8.925 1.791 1.00 30.13 H new ATOM 0 HD13 LEU A 122 0.326 7.676 0.895 1.00 30.13 H new ATOM 0 HD21 LEU A 122 -0.913 6.351 3.385 1.00 44.42 H new ATOM 0 HD22 LEU A 122 -0.162 5.440 2.053 1.00 44.42 H new ATOM 0 HD23 LEU A 122 0.403 5.201 3.723 1.00 44.42 H new ATOM 1839 N LEU A 123 5.297 5.526 2.208 1.00 55.23 N ATOM 1840 CA LEU A 123 6.475 4.996 1.508 1.00 41.45 C ATOM 1841 C LEU A 123 6.994 3.705 2.168 1.00 24.05 C ATOM 1842 O LEU A 123 7.173 2.684 1.501 1.00 30.52 O ATOM 1843 CB LEU A 123 7.583 6.063 1.475 1.00 64.30 C ATOM 1844 CG LEU A 123 8.851 5.687 0.686 1.00 63.34 C ATOM 1845 CD1 LEU A 123 8.513 5.387 -0.775 1.00 65.35 C ATOM 1846 CD2 LEU A 123 9.896 6.801 0.782 1.00 35.04 C ATOM 0 H LEU A 123 5.383 6.503 2.490 1.00 55.23 H new ATOM 0 HA LEU A 123 6.180 4.747 0.489 1.00 41.45 H new ATOM 0 HB2 LEU A 123 7.169 6.976 1.048 1.00 64.30 H new ATOM 0 HB3 LEU A 123 7.871 6.293 2.501 1.00 64.30 H new ATOM 0 HG LEU A 123 9.272 4.784 1.129 1.00 63.34 H new ATOM 0 HD11 LEU A 123 9.424 5.124 -1.313 1.00 65.35 H new ATOM 0 HD12 LEU A 123 7.810 4.555 -0.822 1.00 65.35 H new ATOM 0 HD13 LEU A 123 8.063 6.268 -1.233 1.00 65.35 H new ATOM 0 HD21 LEU A 123 10.784 6.516 0.218 1.00 35.04 H new ATOM 0 HD22 LEU A 123 9.485 7.722 0.370 1.00 35.04 H new ATOM 0 HD23 LEU A 123 10.165 6.959 1.827 1.00 35.04 H new ATOM 1858 N SER A 124 7.217 3.757 3.483 1.00 52.54 N ATOM 1859 CA SER A 124 7.690 2.587 4.244 1.00 53.34 C ATOM 1860 C SER A 124 6.706 1.412 4.140 1.00 1.12 C ATOM 1861 O SER A 124 7.106 0.268 3.919 1.00 41.42 O ATOM 1862 CB SER A 124 7.893 2.953 5.723 1.00 62.44 C ATOM 1863 OG SER A 124 8.320 1.830 6.487 1.00 1.54 O ATOM 0 H SER A 124 7.079 4.595 4.048 1.00 52.54 H new ATOM 0 HA SER A 124 8.642 2.280 3.810 1.00 53.34 H new ATOM 0 HB2 SER A 124 8.632 3.750 5.803 1.00 62.44 H new ATOM 0 HB3 SER A 124 6.961 3.340 6.134 1.00 62.44 H new ATOM 0 HG SER A 124 8.441 2.097 7.422 1.00 1.54 H new ATOM 1869 N CYS A 125 5.417 1.703 4.298 1.00 3.34 N ATOM 1870 CA CYS A 125 4.373 0.672 4.245 1.00 14.40 C ATOM 1871 C CYS A 125 4.305 -0.002 2.866 1.00 13.43 C ATOM 1872 O CYS A 125 4.267 -1.226 2.769 1.00 0.11 O ATOM 1873 CB CYS A 125 3.010 1.273 4.605 1.00 44.33 C ATOM 1874 SG CYS A 125 2.958 2.029 6.247 1.00 24.33 S ATOM 0 H CYS A 125 5.066 2.646 4.464 1.00 3.34 H new ATOM 0 HA CYS A 125 4.633 -0.093 4.976 1.00 14.40 H new ATOM 0 HB2 CYS A 125 2.746 2.024 3.861 1.00 44.33 H new ATOM 0 HB3 CYS A 125 2.253 0.491 4.551 1.00 44.33 H new ATOM 0 HG CYS A 125 3.612 3.153 6.228 1.00 24.33 H new ATOM 1880 N VAL A 126 4.296 0.802 1.804 1.00 3.43 N ATOM 1881 CA VAL A 126 4.259 0.278 0.430 1.00 41.32 C ATOM 1882 C VAL A 126 5.487 -0.598 0.124 1.00 30.53 C ATOM 1883 O VAL A 126 5.370 -1.664 -0.493 1.00 30.23 O ATOM 1884 CB VAL A 126 4.175 1.426 -0.606 1.00 11.51 C ATOM 1885 CG1 VAL A 126 4.198 0.884 -2.036 1.00 13.55 C ATOM 1886 CG2 VAL A 126 2.923 2.269 -0.371 1.00 22.03 C ATOM 0 H VAL A 126 4.314 1.820 1.864 1.00 3.43 H new ATOM 0 HA VAL A 126 3.363 -0.338 0.353 1.00 41.32 H new ATOM 0 HB VAL A 126 5.051 2.061 -0.475 1.00 11.51 H new ATOM 0 HG11 VAL A 126 4.138 1.714 -2.741 1.00 13.55 H new ATOM 0 HG12 VAL A 126 5.124 0.334 -2.202 1.00 13.55 H new ATOM 0 HG13 VAL A 126 3.348 0.218 -2.186 1.00 13.55 H new ATOM 0 HG21 VAL A 126 2.881 3.071 -1.108 1.00 22.03 H new ATOM 0 HG22 VAL A 126 2.038 1.640 -0.467 1.00 22.03 H new ATOM 0 HG23 VAL A 126 2.956 2.698 0.630 1.00 22.03 H new ATOM 1896 N GLN A 127 6.664 -0.144 0.553 1.00 40.43 N ATOM 1897 CA GLN A 127 7.899 -0.922 0.395 1.00 45.33 C ATOM 1898 C GLN A 127 7.808 -2.262 1.145 1.00 40.45 C ATOM 1899 O GLN A 127 8.325 -3.282 0.682 1.00 11.02 O ATOM 1900 CB GLN A 127 9.105 -0.104 0.886 1.00 10.45 C ATOM 1901 CG GLN A 127 9.389 1.129 0.034 1.00 72.25 C ATOM 1902 CD GLN A 127 10.488 2.019 0.600 1.00 51.14 C ATOM 1903 OE1 GLN A 127 10.688 2.100 1.807 1.00 45.34 O ATOM 1904 NE2 GLN A 127 11.213 2.695 -0.271 1.00 33.40 N ATOM 0 H GLN A 127 6.792 0.758 1.013 1.00 40.43 H new ATOM 0 HA GLN A 127 8.033 -1.143 -0.664 1.00 45.33 H new ATOM 0 HB2 GLN A 127 8.928 0.208 1.915 1.00 10.45 H new ATOM 0 HB3 GLN A 127 9.988 -0.742 0.894 1.00 10.45 H new ATOM 0 HG2 GLN A 127 9.671 0.810 -0.969 1.00 72.25 H new ATOM 0 HG3 GLN A 127 8.474 1.713 -0.063 1.00 72.25 H new ATOM 0 HE21 GLN A 127 11.023 2.608 -1.269 1.00 33.40 H new ATOM 0 HE22 GLN A 127 11.963 3.305 0.054 1.00 33.40 H new ATOM 1913 N GLU A 128 7.133 -2.257 2.293 1.00 42.10 N ATOM 1914 CA GLU A 128 6.900 -3.484 3.063 1.00 11.01 C ATOM 1915 C GLU A 128 5.937 -4.429 2.321 1.00 33.34 C ATOM 1916 O GLU A 128 6.257 -5.592 2.078 1.00 61.22 O ATOM 1917 CB GLU A 128 6.329 -3.139 4.446 1.00 53.11 C ATOM 1918 CG GLU A 128 6.233 -4.331 5.391 1.00 44.14 C ATOM 1919 CD GLU A 128 7.595 -4.899 5.753 1.00 51.42 C ATOM 1920 OE1 GLU A 128 8.373 -4.193 6.433 1.00 34.44 O ATOM 1921 OE2 GLU A 128 7.901 -6.046 5.370 1.00 33.32 O ATOM 0 H GLU A 128 6.736 -1.417 2.714 1.00 42.10 H new ATOM 0 HA GLU A 128 7.856 -3.994 3.184 1.00 11.01 H new ATOM 0 HB2 GLU A 128 6.954 -2.373 4.905 1.00 53.11 H new ATOM 0 HB3 GLU A 128 5.336 -2.707 4.321 1.00 53.11 H new ATOM 0 HG2 GLU A 128 5.716 -4.028 6.301 1.00 44.14 H new ATOM 0 HG3 GLU A 128 5.630 -5.111 4.926 1.00 44.14 H new ATOM 1928 N ILE A 129 4.764 -3.908 1.950 1.00 3.42 N ATOM 1929 CA ILE A 129 3.738 -4.695 1.246 1.00 34.10 C ATOM 1930 C ILE A 129 4.308 -5.378 -0.008 1.00 50.22 C ATOM 1931 O ILE A 129 4.146 -6.585 -0.205 1.00 70.32 O ATOM 1932 CB ILE A 129 2.533 -3.804 0.830 1.00 53.35 C ATOM 1933 CG1 ILE A 129 1.899 -3.144 2.065 1.00 53.44 C ATOM 1934 CG2 ILE A 129 1.488 -4.615 0.056 1.00 51.30 C ATOM 1935 CD1 ILE A 129 0.780 -2.176 1.737 1.00 74.13 C ATOM 0 H ILE A 129 4.497 -2.939 2.125 1.00 3.42 H new ATOM 0 HA ILE A 129 3.400 -5.461 1.944 1.00 34.10 H new ATOM 0 HB ILE A 129 2.905 -3.020 0.171 1.00 53.35 H new ATOM 0 HG12 ILE A 129 1.512 -3.922 2.722 1.00 53.44 H new ATOM 0 HG13 ILE A 129 2.674 -2.614 2.620 1.00 53.44 H new ATOM 0 HG21 ILE A 129 0.657 -3.967 -0.222 1.00 51.30 H new ATOM 0 HG22 ILE A 129 1.942 -5.029 -0.844 1.00 51.30 H new ATOM 0 HG23 ILE A 129 1.120 -5.427 0.683 1.00 51.30 H new ATOM 0 HD11 ILE A 129 0.384 -1.752 2.660 1.00 74.13 H new ATOM 0 HD12 ILE A 129 1.165 -1.375 1.105 1.00 74.13 H new ATOM 0 HD13 ILE A 129 -0.015 -2.704 1.210 1.00 74.13 H new ATOM 1947 N SER A 130 4.990 -4.596 -0.845 1.00 31.34 N ATOM 1948 CA SER A 130 5.605 -5.118 -2.074 1.00 23.53 C ATOM 1949 C SER A 130 6.629 -6.221 -1.769 1.00 1.15 C ATOM 1950 O SER A 130 6.700 -7.225 -2.479 1.00 4.04 O ATOM 1951 CB SER A 130 6.278 -3.984 -2.861 1.00 63.12 C ATOM 1952 OG SER A 130 7.260 -3.319 -2.077 1.00 44.35 O ATOM 0 H SER A 130 5.133 -3.597 -0.697 1.00 31.34 H new ATOM 0 HA SER A 130 4.809 -5.553 -2.679 1.00 23.53 H new ATOM 0 HB2 SER A 130 6.742 -4.389 -3.760 1.00 63.12 H new ATOM 0 HB3 SER A 130 5.524 -3.267 -3.186 1.00 63.12 H new ATOM 0 HG SER A 130 6.818 -2.733 -1.428 1.00 44.35 H new ATOM 1958 N ASP A 131 7.414 -6.033 -0.708 1.00 3.51 N ATOM 1959 CA ASP A 131 8.414 -7.027 -0.292 1.00 22.13 C ATOM 1960 C ASP A 131 7.759 -8.348 0.151 1.00 73.51 C ATOM 1961 O ASP A 131 8.236 -9.433 -0.190 1.00 43.53 O ATOM 1962 CB ASP A 131 9.274 -6.456 0.841 1.00 15.34 C ATOM 1963 CG ASP A 131 10.296 -7.453 1.364 1.00 35.35 C ATOM 1964 OD1 ASP A 131 11.385 -7.570 0.761 1.00 65.44 O ATOM 1965 OD2 ASP A 131 10.019 -8.121 2.382 1.00 73.20 O ATOM 0 H ASP A 131 7.380 -5.202 -0.118 1.00 3.51 H new ATOM 0 HA ASP A 131 9.045 -7.248 -1.153 1.00 22.13 H new ATOM 0 HB2 ASP A 131 9.791 -5.565 0.485 1.00 15.34 H new ATOM 0 HB3 ASP A 131 8.627 -6.143 1.660 1.00 15.34 H new ATOM 1970 N VAL A 132 6.664 -8.254 0.905 1.00 3.51 N ATOM 1971 CA VAL A 132 5.951 -9.441 1.400 1.00 42.32 C ATOM 1972 C VAL A 132 5.490 -10.360 0.247 1.00 42.03 C ATOM 1973 O VAL A 132 5.501 -11.589 0.371 1.00 62.54 O ATOM 1974 CB VAL A 132 4.726 -9.042 2.264 1.00 32.22 C ATOM 1975 CG1 VAL A 132 3.958 -10.280 2.723 1.00 4.20 C ATOM 1976 CG2 VAL A 132 5.160 -8.201 3.467 1.00 30.00 C ATOM 0 H VAL A 132 6.247 -7.368 1.189 1.00 3.51 H new ATOM 0 HA VAL A 132 6.660 -9.993 2.018 1.00 42.32 H new ATOM 0 HB VAL A 132 4.061 -8.438 1.647 1.00 32.22 H new ATOM 0 HG11 VAL A 132 3.104 -9.975 3.327 1.00 4.20 H new ATOM 0 HG12 VAL A 132 3.607 -10.834 1.852 1.00 4.20 H new ATOM 0 HG13 VAL A 132 4.614 -10.916 3.318 1.00 4.20 H new ATOM 0 HG21 VAL A 132 4.284 -7.933 4.058 1.00 30.00 H new ATOM 0 HG22 VAL A 132 5.851 -8.776 4.083 1.00 30.00 H new ATOM 0 HG23 VAL A 132 5.654 -7.294 3.118 1.00 30.00 H new ATOM 1986 N VAL A 133 5.094 -9.758 -0.874 1.00 3.43 N ATOM 1987 CA VAL A 133 4.657 -10.521 -2.055 1.00 53.05 C ATOM 1988 C VAL A 133 5.843 -11.228 -2.751 1.00 40.24 C ATOM 1989 O VAL A 133 5.661 -12.165 -3.531 1.00 13.52 O ATOM 1990 CB VAL A 133 3.934 -9.593 -3.071 1.00 51.11 C ATOM 1991 CG1 VAL A 133 3.370 -10.384 -4.252 1.00 13.11 C ATOM 1992 CG2 VAL A 133 2.830 -8.795 -2.380 1.00 4.14 C ATOM 0 H VAL A 133 5.065 -8.746 -0.995 1.00 3.43 H new ATOM 0 HA VAL A 133 3.962 -11.285 -1.705 1.00 53.05 H new ATOM 0 HB VAL A 133 4.673 -8.895 -3.465 1.00 51.11 H new ATOM 0 HG11 VAL A 133 2.872 -9.703 -4.942 1.00 13.11 H new ATOM 0 HG12 VAL A 133 4.182 -10.894 -4.770 1.00 13.11 H new ATOM 0 HG13 VAL A 133 2.653 -11.120 -3.888 1.00 13.11 H new ATOM 0 HG21 VAL A 133 2.336 -8.152 -3.108 1.00 4.14 H new ATOM 0 HG22 VAL A 133 2.101 -9.481 -1.948 1.00 4.14 H new ATOM 0 HG23 VAL A 133 3.264 -8.182 -1.590 1.00 4.14 H new ATOM 2002 N GLN A 134 7.063 -10.781 -2.449 1.00 23.31 N ATOM 2003 CA GLN A 134 8.280 -11.331 -3.072 1.00 50.43 C ATOM 2004 C GLN A 134 8.893 -12.466 -2.228 1.00 61.00 C ATOM 2005 O GLN A 134 9.940 -13.012 -2.577 1.00 31.10 O ATOM 2006 CB GLN A 134 9.311 -10.207 -3.259 1.00 22.13 C ATOM 2007 CG GLN A 134 8.762 -8.996 -4.004 1.00 34.14 C ATOM 2008 CD GLN A 134 9.737 -7.831 -4.063 1.00 2.53 C ATOM 2009 OE1 GLN A 134 10.949 -8.011 -4.110 1.00 30.11 O ATOM 2010 NE2 GLN A 134 9.212 -6.621 -4.048 1.00 34.54 N ATOM 0 H GLN A 134 7.241 -10.037 -1.775 1.00 23.31 H new ATOM 0 HA GLN A 134 8.003 -11.751 -4.039 1.00 50.43 H new ATOM 0 HB2 GLN A 134 9.671 -9.889 -2.281 1.00 22.13 H new ATOM 0 HB3 GLN A 134 10.170 -10.600 -3.803 1.00 22.13 H new ATOM 0 HG2 GLN A 134 8.499 -9.292 -5.020 1.00 34.14 H new ATOM 0 HG3 GLN A 134 7.843 -8.667 -3.520 1.00 34.14 H new ATOM 0 HE21 GLN A 134 8.199 -6.505 -4.009 1.00 34.54 H new ATOM 0 HE22 GLN A 134 9.819 -5.801 -4.076 1.00 34.54 H new ATOM 2019 N ARG A 135 8.226 -12.826 -1.131 1.00 63.10 N ATOM 2020 CA ARG A 135 8.757 -13.817 -0.177 1.00 32.43 C ATOM 2021 C ARG A 135 8.322 -15.263 -0.511 1.00 72.14 C ATOM 2022 O ARG A 135 9.184 -16.073 -0.924 1.00 37.59 O ATOM 2023 CB ARG A 135 8.318 -13.452 1.246 1.00 72.53 C ATOM 2024 CG ARG A 135 8.734 -12.049 1.668 1.00 45.44 C ATOM 2025 CD ARG A 135 8.317 -11.738 3.099 1.00 62.40 C ATOM 2026 NE ARG A 135 8.724 -10.397 3.507 1.00 43.43 N ATOM 2027 CZ ARG A 135 8.930 -10.036 4.743 1.00 73.45 C ATOM 2028 NH1 ARG A 135 8.798 -10.886 5.714 1.00 63.41 N ATOM 2029 NH2 ARG A 135 9.282 -8.821 5.003 1.00 4.54 N ATOM 2030 OXT ARG A 135 7.124 -15.585 -0.357 1.00 37.59 O ATOM 0 H ARG A 135 7.314 -12.448 -0.875 1.00 63.10 H new ATOM 0 HA ARG A 135 9.844 -13.788 -0.253 1.00 32.43 H new ATOM 0 HB2 ARG A 135 7.234 -13.538 1.317 1.00 72.53 H new ATOM 0 HB3 ARG A 135 8.741 -14.174 1.945 1.00 72.53 H new ATOM 0 HG2 ARG A 135 9.815 -11.948 1.575 1.00 45.44 H new ATOM 0 HG3 ARG A 135 8.286 -11.319 0.993 1.00 45.44 H new ATOM 0 HD2 ARG A 135 7.235 -11.832 3.190 1.00 62.40 H new ATOM 0 HD3 ARG A 135 8.759 -12.472 3.773 1.00 62.40 H new ATOM 0 HE ARG A 135 8.856 -9.696 2.778 1.00 43.43 H new ATOM 0 HH11 ARG A 135 8.530 -11.850 5.515 1.00 63.41 H new ATOM 0 HH12 ARG A 135 8.962 -10.590 6.676 1.00 63.41 H new ATOM 0 HH21 ARG A 135 9.397 -8.150 4.244 1.00 4.54 H new ATOM 0 HH22 ARG A 135 9.445 -8.532 5.968 1.00 4.54 H new