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 141:sc= 0.811 USER MOD Set 1.2: A 125 CYS SG : rot 76:sc= 0.117 USER MOD Set 2.1: A 59 ASN : amide:sc= -2.9! C(o=-2.8!,f=-2.1!) USER MOD Set 2.2: A 107 SER OG : rot 180:sc= 0.0864 USER MOD Single : A 36 LYS NZ :NH3+ -174:sc=-0.00428 (180deg=-0.0614) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 86:sc= 0.761 USER MOD Single : A 50 SER OG : rot -23:sc= 0.623 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -57:sc= 1.2 USER MOD Single : A 60 SER OG : rot 180:sc= -0.101 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 67 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-6.9!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 83:sc= -0.544 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00354 USER MOD Single : A 79 CYS SG : rot 84:sc= 0.403 USER MOD Single : A 82 GLN : amide:sc= 0.541 K(o=0.54,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.749 K(o=0.75,f=-4.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= -0.0107 (180deg=-0.174) USER MOD Single : A 101 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.68) USER MOD Single : A 104 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.7) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -2.58! C(o=-2.6!,f=-7.9!) USER MOD Single : A 120 ASN : amide:sc= -0.74 K(o=-0.74,f=-0.14) USER MOD Single : A 121 ASN : amide:sc= -0.665 X(o=-0.66,f=-1) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 130 SER OG : rot -22:sc= 0.602 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.450 -12.500 -9.942 1.00 15.03 N ATOM 529 CA LYS A 36 -7.723 -12.029 -11.131 1.00 63.12 C ATOM 530 C LYS A 36 -6.403 -11.325 -10.762 1.00 54.13 C ATOM 531 O LYS A 36 -5.485 -11.253 -11.579 1.00 24.34 O ATOM 532 CB LYS A 36 -8.645 -11.094 -11.945 1.00 51.44 C ATOM 533 CG LYS A 36 -8.061 -10.555 -13.258 1.00 14.12 C ATOM 534 CD LYS A 36 -7.292 -9.244 -13.070 1.00 13.43 C ATOM 535 CE LYS A 36 -6.834 -8.660 -14.402 1.00 22.23 C ATOM 536 NZ LYS A 36 -5.915 -9.573 -15.137 1.00 73.01 N ATOM 0 HA LYS A 36 -7.450 -12.893 -11.737 1.00 63.12 H new ATOM 0 HB2 LYS A 36 -9.566 -11.631 -12.173 1.00 51.44 H new ATOM 0 HB3 LYS A 36 -8.918 -10.247 -11.316 1.00 51.44 H new ATOM 0 HG2 LYS A 36 -7.395 -11.303 -13.689 1.00 14.12 H new ATOM 0 HG3 LYS A 36 -8.869 -10.398 -13.973 1.00 14.12 H new ATOM 0 HD2 LYS A 36 -7.925 -8.522 -12.555 1.00 13.43 H new ATOM 0 HD3 LYS A 36 -6.425 -9.419 -12.433 1.00 13.43 H new ATOM 0 HE2 LYS A 36 -7.705 -8.450 -15.022 1.00 22.23 H new ATOM 0 HE3 LYS A 36 -6.332 -7.709 -14.225 1.00 22.23 H new ATOM 0 HZ1 LYS A 36 -5.552 -9.092 -15.984 1.00 73.01 H new ATOM 0 HZ2 LYS A 36 -5.120 -9.835 -14.520 1.00 73.01 H new ATOM 0 HZ3 LYS A 36 -6.431 -10.431 -15.420 1.00 73.01 H new ATOM 550 N ILE A 37 -6.301 -10.816 -9.535 1.00 10.04 N ATOM 551 CA ILE A 37 -5.116 -10.051 -9.110 1.00 63.13 C ATOM 552 C ILE A 37 -3.826 -10.901 -9.143 1.00 52.10 C ATOM 553 O ILE A 37 -3.781 -12.012 -8.606 1.00 22.14 O ATOM 554 CB ILE A 37 -5.299 -9.457 -7.689 1.00 72.50 C ATOM 555 CG1 ILE A 37 -6.608 -8.650 -7.602 1.00 72.43 C ATOM 556 CG2 ILE A 37 -4.104 -8.580 -7.312 1.00 73.31 C ATOM 557 CD1 ILE A 37 -6.708 -7.517 -8.606 1.00 75.35 C ATOM 0 H ILE A 37 -7.018 -10.916 -8.816 1.00 10.04 H new ATOM 0 HA ILE A 37 -5.012 -9.238 -9.828 1.00 63.13 H new ATOM 0 HB ILE A 37 -5.356 -10.283 -6.980 1.00 72.50 H new ATOM 0 HG12 ILE A 37 -7.449 -9.327 -7.750 1.00 72.43 H new ATOM 0 HG13 ILE A 37 -6.702 -8.239 -6.597 1.00 72.43 H new ATOM 0 HG21 ILE A 37 -4.252 -8.173 -6.312 1.00 73.31 H new ATOM 0 HG22 ILE A 37 -3.193 -9.179 -7.329 1.00 73.31 H new ATOM 0 HG23 ILE A 37 -4.013 -7.762 -8.027 1.00 73.31 H new ATOM 0 HD11 ILE A 37 -7.659 -7.000 -8.478 1.00 75.35 H new ATOM 0 HD12 ILE A 37 -5.889 -6.816 -8.446 1.00 75.35 H new ATOM 0 HD13 ILE A 37 -6.648 -7.920 -9.617 1.00 75.35 H new ATOM 569 N SER A 38 -2.778 -10.361 -9.776 1.00 10.00 N ATOM 570 CA SER A 38 -1.484 -11.056 -9.895 1.00 62.43 C ATOM 571 C SER A 38 -0.365 -10.294 -9.164 1.00 72.54 C ATOM 572 O SER A 38 -0.533 -9.133 -8.785 1.00 72.13 O ATOM 573 CB SER A 38 -1.106 -11.234 -11.373 1.00 75.05 C ATOM 574 OG SER A 38 -2.103 -11.949 -12.087 1.00 74.43 O ATOM 0 H SER A 38 -2.798 -9.441 -10.216 1.00 10.00 H new ATOM 0 HA SER A 38 -1.594 -12.035 -9.428 1.00 62.43 H new ATOM 0 HB2 SER A 38 -0.961 -10.256 -11.832 1.00 75.05 H new ATOM 0 HB3 SER A 38 -0.156 -11.764 -11.445 1.00 75.05 H new ATOM 0 HG SER A 38 -1.831 -12.042 -13.024 1.00 74.43 H new ATOM 580 N LYS A 39 0.779 -10.959 -8.986 1.00 10.34 N ATOM 581 CA LYS A 39 1.914 -10.396 -8.232 1.00 12.12 C ATOM 582 C LYS A 39 2.403 -9.049 -8.798 1.00 42.43 C ATOM 583 O LYS A 39 2.338 -8.023 -8.117 1.00 1.41 O ATOM 584 CB LYS A 39 3.079 -11.400 -8.225 1.00 32.23 C ATOM 585 CG LYS A 39 4.352 -10.878 -7.555 1.00 25.55 C ATOM 586 CD LYS A 39 5.509 -11.870 -7.679 1.00 12.33 C ATOM 587 CE LYS A 39 6.814 -11.303 -7.129 1.00 42.33 C ATOM 588 NZ LYS A 39 7.962 -12.220 -7.366 1.00 11.10 N ATOM 0 H LYS A 39 0.949 -11.895 -9.355 1.00 10.34 H new ATOM 0 HA LYS A 39 1.560 -10.210 -7.218 1.00 12.12 H new ATOM 0 HB2 LYS A 39 2.759 -12.308 -7.714 1.00 32.23 H new ATOM 0 HB3 LYS A 39 3.311 -11.678 -9.253 1.00 32.23 H new ATOM 0 HG2 LYS A 39 4.638 -9.929 -8.008 1.00 25.55 H new ATOM 0 HG3 LYS A 39 4.153 -10.682 -6.501 1.00 25.55 H new ATOM 0 HD2 LYS A 39 5.259 -12.786 -7.144 1.00 12.33 H new ATOM 0 HD3 LYS A 39 5.644 -12.139 -8.727 1.00 12.33 H new ATOM 0 HE2 LYS A 39 7.017 -10.340 -7.597 1.00 42.33 H new ATOM 0 HE3 LYS A 39 6.709 -11.122 -6.059 1.00 42.33 H new ATOM 0 HZ1 LYS A 39 8.829 -11.798 -6.977 1.00 11.10 H new ATOM 0 HZ2 LYS A 39 7.781 -13.131 -6.898 1.00 11.10 H new ATOM 0 HZ3 LYS A 39 8.079 -12.373 -8.388 1.00 11.10 H new ATOM 602 N GLU A 40 2.875 -9.047 -10.045 1.00 61.41 N ATOM 603 CA GLU A 40 3.461 -7.837 -10.638 1.00 61.22 C ATOM 604 C GLU A 40 2.408 -6.736 -10.829 1.00 10.34 C ATOM 605 O GLU A 40 2.711 -5.554 -10.692 1.00 70.44 O ATOM 606 CB GLU A 40 4.166 -8.145 -11.974 1.00 72.43 C ATOM 607 CG GLU A 40 3.237 -8.523 -13.128 1.00 13.34 C ATOM 608 CD GLU A 40 2.484 -9.816 -12.886 1.00 15.32 C ATOM 609 OE1 GLU A 40 3.037 -10.895 -13.170 1.00 43.11 O ATOM 610 OE2 GLU A 40 1.338 -9.756 -12.401 1.00 62.01 O ATOM 0 H GLU A 40 2.865 -9.859 -10.662 1.00 61.41 H new ATOM 0 HA GLU A 40 4.210 -7.471 -9.936 1.00 61.22 H new ATOM 0 HB2 GLU A 40 4.749 -7.272 -12.269 1.00 72.43 H new ATOM 0 HB3 GLU A 40 4.872 -8.960 -11.815 1.00 72.43 H new ATOM 0 HG2 GLU A 40 2.521 -7.717 -13.289 1.00 13.34 H new ATOM 0 HG3 GLU A 40 3.823 -8.616 -14.042 1.00 13.34 H new ATOM 617 N ALA A 41 1.172 -7.134 -11.132 1.00 54.32 N ATOM 618 CA ALA A 41 0.063 -6.183 -11.266 1.00 24.53 C ATOM 619 C ALA A 41 -0.100 -5.339 -9.991 1.00 73.01 C ATOM 620 O ALA A 41 -0.270 -4.120 -10.051 1.00 33.20 O ATOM 621 CB ALA A 41 -1.232 -6.925 -11.579 1.00 53.53 C ATOM 0 H ALA A 41 0.912 -8.108 -11.290 1.00 54.32 H new ATOM 0 HA ALA A 41 0.293 -5.508 -12.090 1.00 24.53 H new ATOM 0 HB1 ALA A 41 -2.048 -6.208 -11.676 1.00 53.53 H new ATOM 0 HB2 ALA A 41 -1.119 -7.475 -12.513 1.00 53.53 H new ATOM 0 HB3 ALA A 41 -1.456 -7.622 -10.772 1.00 53.53 H new ATOM 627 N LEU A 42 -0.037 -5.999 -8.837 1.00 72.32 N ATOM 628 CA LEU A 42 -0.129 -5.312 -7.544 1.00 24.12 C ATOM 629 C LEU A 42 1.151 -4.504 -7.259 1.00 20.21 C ATOM 630 O LEU A 42 1.086 -3.333 -6.873 1.00 24.45 O ATOM 631 CB LEU A 42 -0.392 -6.346 -6.432 1.00 32.42 C ATOM 632 CG LEU A 42 -0.718 -5.789 -5.023 1.00 2.41 C ATOM 633 CD1 LEU A 42 -1.470 -6.836 -4.201 1.00 54.34 C ATOM 634 CD2 LEU A 42 0.552 -5.354 -4.279 1.00 62.33 C ATOM 0 H LEU A 42 0.078 -7.010 -8.767 1.00 72.32 H new ATOM 0 HA LEU A 42 -0.959 -4.606 -7.573 1.00 24.12 H new ATOM 0 HB2 LEU A 42 -1.221 -6.980 -6.747 1.00 32.42 H new ATOM 0 HB3 LEU A 42 0.486 -6.987 -6.349 1.00 32.42 H new ATOM 0 HG LEU A 42 -1.349 -4.910 -5.154 1.00 2.41 H new ATOM 0 HD11 LEU A 42 -1.693 -6.432 -3.213 1.00 54.34 H new ATOM 0 HD12 LEU A 42 -2.401 -7.095 -4.706 1.00 54.34 H new ATOM 0 HD13 LEU A 42 -0.853 -7.729 -4.097 1.00 54.34 H new ATOM 0 HD21 LEU A 42 0.284 -4.969 -3.295 1.00 62.33 H new ATOM 0 HD22 LEU A 42 1.218 -6.209 -4.165 1.00 62.33 H new ATOM 0 HD23 LEU A 42 1.058 -4.574 -4.848 1.00 62.33 H new ATOM 646 N LEU A 43 2.308 -5.135 -7.466 1.00 23.53 N ATOM 647 CA LEU A 43 3.605 -4.494 -7.204 1.00 42.41 C ATOM 648 C LEU A 43 3.777 -3.186 -7.995 1.00 54.45 C ATOM 649 O LEU A 43 4.233 -2.186 -7.449 1.00 23.12 O ATOM 650 CB LEU A 43 4.753 -5.461 -7.526 1.00 41.42 C ATOM 651 CG LEU A 43 4.804 -6.731 -6.659 1.00 31.32 C ATOM 652 CD1 LEU A 43 5.979 -7.615 -7.062 1.00 10.55 C ATOM 653 CD2 LEU A 43 4.881 -6.373 -5.176 1.00 54.35 C ATOM 0 H LEU A 43 2.377 -6.091 -7.815 1.00 23.53 H new ATOM 0 HA LEU A 43 3.631 -4.241 -6.144 1.00 42.41 H new ATOM 0 HB2 LEU A 43 4.674 -5.758 -8.572 1.00 41.42 H new ATOM 0 HB3 LEU A 43 5.697 -4.928 -7.416 1.00 41.42 H new ATOM 0 HG LEU A 43 3.884 -7.291 -6.826 1.00 31.32 H new ATOM 0 HD11 LEU A 43 5.995 -8.507 -6.436 1.00 10.55 H new ATOM 0 HD12 LEU A 43 5.873 -7.907 -8.107 1.00 10.55 H new ATOM 0 HD13 LEU A 43 6.910 -7.064 -6.932 1.00 10.55 H new ATOM 0 HD21 LEU A 43 4.916 -7.287 -4.583 1.00 54.35 H new ATOM 0 HD22 LEU A 43 5.780 -5.785 -4.990 1.00 54.35 H new ATOM 0 HD23 LEU A 43 4.002 -5.792 -4.896 1.00 54.35 H new ATOM 665 N GLU A 44 3.417 -3.199 -9.278 1.00 31.24 N ATOM 666 CA GLU A 44 3.482 -1.989 -10.114 1.00 53.22 C ATOM 667 C GLU A 44 2.555 -0.889 -9.578 1.00 0.42 C ATOM 668 O GLU A 44 2.958 0.268 -9.437 1.00 15.25 O ATOM 669 CB GLU A 44 3.113 -2.319 -11.568 1.00 62.03 C ATOM 670 CG GLU A 44 4.127 -3.208 -12.281 1.00 63.30 C ATOM 671 CD GLU A 44 5.478 -2.533 -12.469 1.00 4.35 C ATOM 672 OE1 GLU A 44 6.343 -2.656 -11.573 1.00 11.42 O ATOM 673 OE2 GLU A 44 5.683 -1.884 -13.517 1.00 33.44 O ATOM 0 H GLU A 44 3.078 -4.029 -9.765 1.00 31.24 H new ATOM 0 HA GLU A 44 4.507 -1.620 -10.080 1.00 53.22 H new ATOM 0 HB2 GLU A 44 2.141 -2.811 -11.582 1.00 62.03 H new ATOM 0 HB3 GLU A 44 3.007 -1.388 -12.125 1.00 62.03 H new ATOM 0 HG2 GLU A 44 4.262 -4.127 -11.710 1.00 63.30 H new ATOM 0 HG3 GLU A 44 3.730 -3.494 -13.255 1.00 63.30 H new ATOM 680 N CYS A 45 1.312 -1.259 -9.273 1.00 22.32 N ATOM 681 CA CYS A 45 0.344 -0.309 -8.708 1.00 75.00 C ATOM 682 C CYS A 45 0.872 0.327 -7.413 1.00 30.20 C ATOM 683 O CYS A 45 0.666 1.515 -7.166 1.00 33.11 O ATOM 684 CB CYS A 45 -1.001 -0.998 -8.443 1.00 65.04 C ATOM 685 SG CYS A 45 -1.895 -1.485 -9.941 1.00 23.10 S ATOM 0 H CYS A 45 0.949 -2.203 -9.405 1.00 22.32 H new ATOM 0 HA CYS A 45 0.198 0.484 -9.442 1.00 75.00 H new ATOM 0 HB2 CYS A 45 -0.828 -1.884 -7.832 1.00 65.04 H new ATOM 0 HB3 CYS A 45 -1.631 -0.327 -7.859 1.00 65.04 H new ATOM 0 HG CYS A 45 -1.480 -2.653 -10.334 1.00 23.10 H new ATOM 691 N ALA A 46 1.555 -0.471 -6.595 1.00 23.40 N ATOM 692 CA ALA A 46 2.175 0.024 -5.362 1.00 55.02 C ATOM 693 C ALA A 46 3.415 0.881 -5.661 1.00 65.11 C ATOM 694 O ALA A 46 3.607 1.946 -5.072 1.00 5.23 O ATOM 695 CB ALA A 46 2.551 -1.145 -4.458 1.00 32.35 C ATOM 0 H ALA A 46 1.695 -1.467 -6.762 1.00 23.40 H new ATOM 0 HA ALA A 46 1.447 0.655 -4.851 1.00 55.02 H new ATOM 0 HB1 ALA A 46 3.011 -0.766 -3.545 1.00 32.35 H new ATOM 0 HB2 ALA A 46 1.655 -1.712 -4.205 1.00 32.35 H new ATOM 0 HB3 ALA A 46 3.256 -1.794 -4.977 1.00 32.35 H new ATOM 701 N ASP A 47 4.244 0.412 -6.593 1.00 51.52 N ATOM 702 CA ASP A 47 5.481 1.108 -6.967 1.00 12.03 C ATOM 703 C ASP A 47 5.187 2.544 -7.439 1.00 44.20 C ATOM 704 O ASP A 47 6.008 3.449 -7.274 1.00 34.21 O ATOM 705 CB ASP A 47 6.205 0.314 -8.063 1.00 14.41 C ATOM 706 CG ASP A 47 7.613 0.823 -8.330 1.00 73.22 C ATOM 707 OD1 ASP A 47 8.555 0.381 -7.638 1.00 4.04 O ATOM 708 OD2 ASP A 47 7.787 1.670 -9.229 1.00 32.30 O ATOM 0 H ASP A 47 4.082 -0.453 -7.108 1.00 51.52 H new ATOM 0 HA ASP A 47 6.125 1.176 -6.090 1.00 12.03 H new ATOM 0 HB2 ASP A 47 6.252 -0.736 -7.773 1.00 14.41 H new ATOM 0 HB3 ASP A 47 5.625 0.364 -8.984 1.00 14.41 H new ATOM 713 N LEU A 48 4.003 2.741 -8.018 1.00 42.42 N ATOM 714 CA LEU A 48 3.533 4.078 -8.401 1.00 51.33 C ATOM 715 C LEU A 48 3.542 5.046 -7.206 1.00 71.30 C ATOM 716 O LEU A 48 3.943 6.202 -7.341 1.00 24.54 O ATOM 717 CB LEU A 48 2.119 4.001 -8.999 1.00 21.04 C ATOM 718 CG LEU A 48 2.022 3.308 -10.368 1.00 74.31 C ATOM 719 CD1 LEU A 48 0.565 3.206 -10.823 1.00 70.50 C ATOM 720 CD2 LEU A 48 2.862 4.057 -11.404 1.00 11.30 C ATOM 0 H LEU A 48 3.347 1.990 -8.234 1.00 42.42 H new ATOM 0 HA LEU A 48 4.222 4.462 -9.153 1.00 51.33 H new ATOM 0 HB2 LEU A 48 1.473 3.474 -8.297 1.00 21.04 H new ATOM 0 HB3 LEU A 48 1.727 5.014 -9.094 1.00 21.04 H new ATOM 0 HG LEU A 48 2.416 2.296 -10.270 1.00 74.31 H new ATOM 0 HD11 LEU A 48 0.521 2.712 -11.794 1.00 70.50 H new ATOM 0 HD12 LEU A 48 -0.004 2.627 -10.095 1.00 70.50 H new ATOM 0 HD13 LEU A 48 0.138 4.206 -10.905 1.00 70.50 H new ATOM 0 HD21 LEU A 48 2.783 3.555 -12.368 1.00 11.30 H new ATOM 0 HD22 LEU A 48 2.498 5.080 -11.497 1.00 11.30 H new ATOM 0 HD23 LEU A 48 3.904 4.071 -11.086 1.00 11.30 H new ATOM 732 N LEU A 49 3.113 4.568 -6.038 1.00 22.02 N ATOM 733 CA LEU A 49 3.101 5.396 -4.825 1.00 21.25 C ATOM 734 C LEU A 49 4.529 5.736 -4.379 1.00 42.21 C ATOM 735 O LEU A 49 4.869 6.903 -4.199 1.00 30.53 O ATOM 736 CB LEU A 49 2.353 4.700 -3.674 1.00 31.00 C ATOM 737 CG LEU A 49 0.821 4.585 -3.831 1.00 22.12 C ATOM 738 CD1 LEU A 49 0.446 3.622 -4.953 1.00 72.31 C ATOM 739 CD2 LEU A 49 0.172 4.156 -2.516 1.00 54.22 C ATOM 0 H LEU A 49 2.770 3.617 -5.903 1.00 22.02 H new ATOM 0 HA LEU A 49 2.575 6.318 -5.072 1.00 21.25 H new ATOM 0 HB2 LEU A 49 2.762 3.697 -3.556 1.00 31.00 H new ATOM 0 HB3 LEU A 49 2.564 5.241 -2.751 1.00 31.00 H new ATOM 0 HG LEU A 49 0.442 5.572 -4.098 1.00 22.12 H new ATOM 0 HD11 LEU A 49 -0.639 3.565 -5.036 1.00 72.31 H new ATOM 0 HD12 LEU A 49 0.864 3.980 -5.894 1.00 72.31 H new ATOM 0 HD13 LEU A 49 0.846 2.632 -4.732 1.00 72.31 H new ATOM 0 HD21 LEU A 49 -0.907 4.082 -2.650 1.00 54.22 H new ATOM 0 HD22 LEU A 49 0.568 3.186 -2.214 1.00 54.22 H new ATOM 0 HD23 LEU A 49 0.392 4.894 -1.744 1.00 54.22 H new ATOM 751 N SER A 50 5.366 4.707 -4.223 1.00 31.40 N ATOM 752 CA SER A 50 6.757 4.899 -3.774 1.00 31.13 C ATOM 753 C SER A 50 7.519 5.860 -4.696 1.00 24.13 C ATOM 754 O SER A 50 8.280 6.711 -4.236 1.00 71.14 O ATOM 755 CB SER A 50 7.498 3.553 -3.699 1.00 32.02 C ATOM 756 OG SER A 50 7.553 2.918 -4.969 1.00 10.03 O ATOM 0 H SER A 50 5.111 3.735 -4.399 1.00 31.40 H new ATOM 0 HA SER A 50 6.717 5.340 -2.778 1.00 31.13 H new ATOM 0 HB2 SER A 50 8.510 3.714 -3.327 1.00 32.02 H new ATOM 0 HB3 SER A 50 6.996 2.899 -2.986 1.00 32.02 H new ATOM 0 HG SER A 50 6.828 3.255 -5.535 1.00 10.03 H new ATOM 762 N SER A 51 7.305 5.720 -6.003 1.00 43.23 N ATOM 763 CA SER A 51 7.919 6.617 -6.991 1.00 15.53 C ATOM 764 C SER A 51 7.351 8.039 -6.882 1.00 75.10 C ATOM 765 O SER A 51 8.098 9.019 -6.839 1.00 41.20 O ATOM 766 CB SER A 51 7.694 6.087 -8.416 1.00 24.22 C ATOM 767 OG SER A 51 8.303 6.927 -9.385 1.00 62.14 O ATOM 0 H SER A 51 6.712 4.995 -6.406 1.00 43.23 H new ATOM 0 HA SER A 51 8.988 6.650 -6.781 1.00 15.53 H new ATOM 0 HB2 SER A 51 8.101 5.079 -8.499 1.00 24.22 H new ATOM 0 HB3 SER A 51 6.625 6.016 -8.615 1.00 24.22 H new ATOM 0 HG SER A 51 8.143 6.562 -10.281 1.00 62.14 H new ATOM 773 N ALA A 52 6.024 8.140 -6.821 1.00 54.24 N ATOM 774 CA ALA A 52 5.335 9.438 -6.784 1.00 71.22 C ATOM 775 C ALA A 52 5.688 10.268 -5.534 1.00 30.42 C ATOM 776 O ALA A 52 5.833 11.482 -5.615 1.00 45.40 O ATOM 777 CB ALA A 52 3.826 9.229 -6.874 1.00 44.32 C ATOM 0 H ALA A 52 5.397 7.335 -6.796 1.00 54.24 H new ATOM 0 HA ALA A 52 5.680 10.009 -7.646 1.00 71.22 H new ATOM 0 HB1 ALA A 52 3.323 10.195 -6.846 1.00 44.32 H new ATOM 0 HB2 ALA A 52 3.584 8.721 -7.807 1.00 44.32 H new ATOM 0 HB3 ALA A 52 3.492 8.621 -6.033 1.00 44.32 H new ATOM 783 N LEU A 53 5.836 9.605 -4.388 1.00 73.03 N ATOM 784 CA LEU A 53 6.121 10.294 -3.117 1.00 13.52 C ATOM 785 C LEU A 53 7.441 11.092 -3.155 1.00 54.31 C ATOM 786 O LEU A 53 7.623 12.042 -2.388 1.00 52.00 O ATOM 787 CB LEU A 53 6.162 9.278 -1.965 1.00 53.12 C ATOM 788 CG LEU A 53 4.822 8.591 -1.641 1.00 43.33 C ATOM 789 CD1 LEU A 53 5.013 7.501 -0.587 1.00 50.41 C ATOM 790 CD2 LEU A 53 3.787 9.613 -1.178 1.00 52.52 C ATOM 0 H LEU A 53 5.764 8.591 -4.307 1.00 73.03 H new ATOM 0 HA LEU A 53 5.315 11.010 -2.956 1.00 13.52 H new ATOM 0 HB2 LEU A 53 6.896 8.509 -2.207 1.00 53.12 H new ATOM 0 HB3 LEU A 53 6.517 9.786 -1.068 1.00 53.12 H new ATOM 0 HG LEU A 53 4.453 8.122 -2.553 1.00 43.33 H new ATOM 0 HD11 LEU A 53 4.054 7.029 -0.374 1.00 50.41 H new ATOM 0 HD12 LEU A 53 5.711 6.752 -0.961 1.00 50.41 H new ATOM 0 HD13 LEU A 53 5.411 7.944 0.326 1.00 50.41 H new ATOM 0 HD21 LEU A 53 2.849 9.105 -0.955 1.00 52.52 H new ATOM 0 HD22 LEU A 53 4.149 10.117 -0.282 1.00 52.52 H new ATOM 0 HD23 LEU A 53 3.623 10.348 -1.966 1.00 52.52 H new ATOM 802 N THR A 54 8.360 10.701 -4.037 1.00 45.43 N ATOM 803 CA THR A 54 9.664 11.380 -4.142 1.00 2.33 C ATOM 804 C THR A 54 9.583 12.654 -4.998 1.00 72.23 C ATOM 805 O THR A 54 10.453 13.525 -4.916 1.00 63.14 O ATOM 806 CB THR A 54 10.755 10.455 -4.736 1.00 15.54 C ATOM 807 OG1 THR A 54 10.481 10.184 -6.118 1.00 54.24 O ATOM 808 CG2 THR A 54 10.836 9.142 -3.965 1.00 63.14 C ATOM 0 H THR A 54 8.234 9.925 -4.687 1.00 45.43 H new ATOM 0 HA THR A 54 9.937 11.649 -3.122 1.00 2.33 H new ATOM 0 HB THR A 54 11.712 10.970 -4.652 1.00 15.54 H new ATOM 0 HG1 THR A 54 9.590 9.784 -6.203 1.00 54.24 H new ATOM 0 HG21 THR A 54 11.609 8.511 -4.402 1.00 63.14 H new ATOM 0 HG22 THR A 54 11.081 9.347 -2.923 1.00 63.14 H new ATOM 0 HG23 THR A 54 9.876 8.629 -4.018 1.00 63.14 H new ATOM 816 N GLU A 55 8.539 12.759 -5.813 1.00 23.12 N ATOM 817 CA GLU A 55 8.329 13.925 -6.682 1.00 34.41 C ATOM 818 C GLU A 55 7.057 14.689 -6.268 1.00 71.15 C ATOM 819 O GLU A 55 6.191 14.137 -5.589 1.00 1.21 O ATOM 820 CB GLU A 55 8.224 13.475 -8.151 1.00 30.42 C ATOM 821 CG GLU A 55 7.083 12.496 -8.427 1.00 62.21 C ATOM 822 CD GLU A 55 6.945 12.151 -9.901 1.00 40.42 C ATOM 823 OE1 GLU A 55 7.628 11.215 -10.372 1.00 43.25 O ATOM 824 OE2 GLU A 55 6.168 12.826 -10.607 1.00 4.40 O ATOM 0 H GLU A 55 7.815 12.046 -5.894 1.00 23.12 H new ATOM 0 HA GLU A 55 9.182 14.595 -6.576 1.00 34.41 H new ATOM 0 HB2 GLU A 55 8.093 14.355 -8.780 1.00 30.42 H new ATOM 0 HB3 GLU A 55 9.165 13.011 -8.445 1.00 30.42 H new ATOM 0 HG2 GLU A 55 7.250 11.581 -7.859 1.00 62.21 H new ATOM 0 HG3 GLU A 55 6.147 12.926 -8.070 1.00 62.21 H new ATOM 831 N PRO A 56 6.923 15.980 -6.646 1.00 5.11 N ATOM 832 CA PRO A 56 5.712 16.754 -6.321 1.00 5.42 C ATOM 833 C PRO A 56 4.443 16.147 -6.952 1.00 32.40 C ATOM 834 O PRO A 56 4.335 16.032 -8.176 1.00 75.01 O ATOM 835 CB PRO A 56 6.004 18.143 -6.921 1.00 5.44 C ATOM 836 CG PRO A 56 7.488 18.196 -7.079 1.00 14.10 C ATOM 837 CD PRO A 56 7.921 16.786 -7.373 1.00 32.22 C ATOM 0 HA PRO A 56 5.514 16.773 -5.249 1.00 5.42 H new ATOM 0 HB2 PRO A 56 5.501 18.272 -7.879 1.00 5.44 H new ATOM 0 HB3 PRO A 56 5.649 18.938 -6.265 1.00 5.44 H new ATOM 0 HG2 PRO A 56 7.771 18.869 -7.889 1.00 14.10 H new ATOM 0 HG3 PRO A 56 7.964 18.570 -6.173 1.00 14.10 H new ATOM 0 HD2 PRO A 56 7.911 16.574 -8.442 1.00 32.22 H new ATOM 0 HD3 PRO A 56 8.933 16.592 -7.019 1.00 32.22 H new ATOM 845 N VAL A 57 3.475 15.787 -6.108 1.00 34.02 N ATOM 846 CA VAL A 57 2.208 15.193 -6.565 1.00 62.10 C ATOM 847 C VAL A 57 1.018 15.691 -5.719 1.00 44.13 C ATOM 848 O VAL A 57 1.195 16.088 -4.564 1.00 45.41 O ATOM 849 CB VAL A 57 2.257 13.640 -6.515 1.00 40.23 C ATOM 850 CG1 VAL A 57 3.245 13.083 -7.537 1.00 42.45 C ATOM 851 CG2 VAL A 57 2.605 13.156 -5.110 1.00 21.23 C ATOM 0 H VAL A 57 3.541 15.896 -5.096 1.00 34.02 H new ATOM 0 HA VAL A 57 2.068 15.509 -7.599 1.00 62.10 H new ATOM 0 HB VAL A 57 1.266 13.267 -6.772 1.00 40.23 H new ATOM 0 HG11 VAL A 57 3.256 11.995 -7.477 1.00 42.45 H new ATOM 0 HG12 VAL A 57 2.943 13.388 -8.539 1.00 42.45 H new ATOM 0 HG13 VAL A 57 4.243 13.468 -7.326 1.00 42.45 H new ATOM 0 HG21 VAL A 57 2.634 12.066 -5.097 1.00 21.23 H new ATOM 0 HG22 VAL A 57 3.580 13.548 -4.821 1.00 21.23 H new ATOM 0 HG23 VAL A 57 1.850 13.507 -4.407 1.00 21.23 H new ATOM 861 N PRO A 58 -0.214 15.678 -6.273 1.00 61.14 N ATOM 862 CA PRO A 58 -1.417 16.095 -5.538 1.00 34.02 C ATOM 863 C PRO A 58 -1.878 15.054 -4.502 1.00 40.24 C ATOM 864 O PRO A 58 -1.739 13.843 -4.710 1.00 32.54 O ATOM 865 CB PRO A 58 -2.490 16.266 -6.632 1.00 52.05 C ATOM 866 CG PRO A 58 -1.790 16.063 -7.941 1.00 43.12 C ATOM 867 CD PRO A 58 -0.539 15.276 -7.648 1.00 71.03 C ATOM 0 HA PRO A 58 -1.228 17.002 -4.965 1.00 34.02 H new ATOM 0 HB2 PRO A 58 -3.294 15.542 -6.505 1.00 52.05 H new ATOM 0 HB3 PRO A 58 -2.942 17.257 -6.582 1.00 52.05 H new ATOM 0 HG2 PRO A 58 -2.429 15.526 -8.642 1.00 43.12 H new ATOM 0 HG3 PRO A 58 -1.546 17.020 -8.401 1.00 43.12 H new ATOM 0 HD2 PRO A 58 -0.710 14.202 -7.726 1.00 71.03 H new ATOM 0 HD3 PRO A 58 0.265 15.522 -8.342 1.00 71.03 H new ATOM 875 N ASN A 59 -2.445 15.538 -3.397 1.00 73.34 N ATOM 876 CA ASN A 59 -2.975 14.666 -2.338 1.00 42.33 C ATOM 877 C ASN A 59 -4.006 13.667 -2.895 1.00 14.40 C ATOM 878 O ASN A 59 -4.020 12.493 -2.520 1.00 13.44 O ATOM 879 CB ASN A 59 -3.612 15.524 -1.233 1.00 33.24 C ATOM 880 CG ASN A 59 -4.119 14.698 -0.062 1.00 45.35 C ATOM 881 OD1 ASN A 59 -5.257 14.249 -0.050 1.00 42.53 O ATOM 882 ND2 ASN A 59 -3.283 14.500 0.935 1.00 45.34 N ATOM 0 H ASN A 59 -2.551 16.535 -3.207 1.00 73.34 H new ATOM 0 HA ASN A 59 -2.147 14.091 -1.923 1.00 42.33 H new ATOM 0 HB2 ASN A 59 -2.879 16.245 -0.872 1.00 33.24 H new ATOM 0 HB3 ASN A 59 -4.440 16.094 -1.654 1.00 33.24 H new ATOM 0 HD21 ASN A 59 -3.578 13.959 1.748 1.00 45.34 H new ATOM 0 HD22 ASN A 59 -2.340 14.888 0.895 1.00 45.34 H new ATOM 889 N SER A 60 -4.850 14.143 -3.810 1.00 12.14 N ATOM 890 CA SER A 60 -5.897 13.313 -4.425 1.00 33.12 C ATOM 891 C SER A 60 -5.298 12.117 -5.170 1.00 33.32 C ATOM 892 O SER A 60 -5.709 10.971 -4.970 1.00 52.42 O ATOM 893 CB SER A 60 -6.728 14.151 -5.403 1.00 32.31 C ATOM 894 OG SER A 60 -5.904 14.734 -6.406 1.00 40.44 O ATOM 0 H SER A 60 -4.832 15.106 -4.147 1.00 12.14 H new ATOM 0 HA SER A 60 -6.534 12.939 -3.623 1.00 33.12 H new ATOM 0 HB2 SER A 60 -7.487 13.524 -5.871 1.00 32.31 H new ATOM 0 HB3 SER A 60 -7.254 14.935 -4.859 1.00 32.31 H new ATOM 0 HG SER A 60 -6.458 15.262 -7.018 1.00 40.44 H new ATOM 900 N GLN A 61 -4.322 12.400 -6.032 1.00 14.20 N ATOM 901 CA GLN A 61 -3.638 11.362 -6.808 1.00 4.20 C ATOM 902 C GLN A 61 -3.079 10.261 -5.895 1.00 64.41 C ATOM 903 O GLN A 61 -3.211 9.075 -6.187 1.00 13.31 O ATOM 904 CB GLN A 61 -2.501 11.985 -7.631 1.00 11.43 C ATOM 905 CG GLN A 61 -1.792 11.001 -8.557 1.00 72.35 C ATOM 906 CD GLN A 61 -0.663 11.646 -9.345 1.00 12.53 C ATOM 907 OE1 GLN A 61 -0.869 12.174 -10.430 1.00 22.13 O ATOM 908 NE2 GLN A 61 0.541 11.603 -8.809 1.00 1.15 N ATOM 0 H GLN A 61 -3.984 13.345 -6.212 1.00 14.20 H new ATOM 0 HA GLN A 61 -4.367 10.908 -7.480 1.00 4.20 H new ATOM 0 HB2 GLN A 61 -2.905 12.803 -8.228 1.00 11.43 H new ATOM 0 HB3 GLN A 61 -1.769 12.419 -6.950 1.00 11.43 H new ATOM 0 HG2 GLN A 61 -1.393 10.176 -7.967 1.00 72.35 H new ATOM 0 HG3 GLN A 61 -2.517 10.575 -9.251 1.00 72.35 H new ATOM 0 HE21 GLN A 61 0.680 11.156 -7.903 1.00 1.15 H new ATOM 0 HE22 GLN A 61 1.333 12.017 -9.300 1.00 1.15 H new ATOM 917 N LEU A 62 -2.463 10.663 -4.787 1.00 60.31 N ATOM 918 CA LEU A 62 -1.897 9.707 -3.827 1.00 21.15 C ATOM 919 C LEU A 62 -2.981 8.816 -3.195 1.00 52.33 C ATOM 920 O LEU A 62 -2.890 7.587 -3.231 1.00 32.12 O ATOM 921 CB LEU A 62 -1.131 10.453 -2.726 1.00 11.23 C ATOM 922 CG LEU A 62 0.146 11.165 -3.193 1.00 33.41 C ATOM 923 CD1 LEU A 62 0.785 11.941 -2.044 1.00 53.54 C ATOM 924 CD2 LEU A 62 1.131 10.156 -3.781 1.00 1.53 C ATOM 0 H LEU A 62 -2.341 11.642 -4.528 1.00 60.31 H new ATOM 0 HA LEU A 62 -1.213 9.060 -4.376 1.00 21.15 H new ATOM 0 HB2 LEU A 62 -1.797 11.190 -2.277 1.00 11.23 H new ATOM 0 HB3 LEU A 62 -0.867 9.743 -1.943 1.00 11.23 H new ATOM 0 HG LEU A 62 -0.122 11.879 -3.972 1.00 33.41 H new ATOM 0 HD11 LEU A 62 1.688 12.437 -2.398 1.00 53.54 H new ATOM 0 HD12 LEU A 62 0.082 12.687 -1.674 1.00 53.54 H new ATOM 0 HD13 LEU A 62 1.041 11.253 -1.238 1.00 53.54 H new ATOM 0 HD21 LEU A 62 2.032 10.675 -4.108 1.00 1.53 H new ATOM 0 HD22 LEU A 62 1.392 9.418 -3.022 1.00 1.53 H new ATOM 0 HD23 LEU A 62 0.672 9.654 -4.633 1.00 1.53 H new ATOM 936 N VAL A 63 -4.011 9.444 -2.630 1.00 12.21 N ATOM 937 CA VAL A 63 -5.073 8.715 -1.924 1.00 44.43 C ATOM 938 C VAL A 63 -5.856 7.780 -2.866 1.00 40.33 C ATOM 939 O VAL A 63 -6.110 6.620 -2.535 1.00 23.31 O ATOM 940 CB VAL A 63 -6.052 9.688 -1.218 1.00 20.43 C ATOM 941 CG1 VAL A 63 -7.109 8.922 -0.422 1.00 0.05 C ATOM 942 CG2 VAL A 63 -5.289 10.649 -0.306 1.00 2.13 C ATOM 0 H VAL A 63 -4.136 10.456 -2.645 1.00 12.21 H new ATOM 0 HA VAL A 63 -4.579 8.102 -1.170 1.00 44.43 H new ATOM 0 HB VAL A 63 -6.562 10.269 -1.987 1.00 20.43 H new ATOM 0 HG11 VAL A 63 -7.782 9.629 0.063 1.00 0.05 H new ATOM 0 HG12 VAL A 63 -7.679 8.282 -1.096 1.00 0.05 H new ATOM 0 HG13 VAL A 63 -6.621 8.308 0.335 1.00 0.05 H new ATOM 0 HG21 VAL A 63 -5.993 11.324 0.181 1.00 2.13 H new ATOM 0 HG22 VAL A 63 -4.749 10.080 0.451 1.00 2.13 H new ATOM 0 HG23 VAL A 63 -4.581 11.228 -0.899 1.00 2.13 H new ATOM 952 N ASP A 64 -6.235 8.279 -4.042 1.00 3.55 N ATOM 953 CA ASP A 64 -6.972 7.466 -5.015 1.00 62.11 C ATOM 954 C ASP A 64 -6.107 6.352 -5.625 1.00 31.34 C ATOM 955 O ASP A 64 -6.586 5.232 -5.825 1.00 21.21 O ATOM 956 CB ASP A 64 -7.586 8.343 -6.109 1.00 31.14 C ATOM 957 CG ASP A 64 -8.879 8.987 -5.643 1.00 14.15 C ATOM 958 OD1 ASP A 64 -9.838 8.233 -5.352 1.00 23.02 O ATOM 959 OD2 ASP A 64 -8.948 10.231 -5.558 1.00 10.21 O ATOM 0 H ASP A 64 -6.047 9.235 -4.345 1.00 3.55 H new ATOM 0 HA ASP A 64 -7.779 6.977 -4.470 1.00 62.11 H new ATOM 0 HB2 ASP A 64 -6.876 9.118 -6.398 1.00 31.14 H new ATOM 0 HB3 ASP A 64 -7.778 7.740 -6.996 1.00 31.14 H new ATOM 964 N THR A 65 -4.841 6.644 -5.915 1.00 34.32 N ATOM 965 CA THR A 65 -3.909 5.600 -6.371 1.00 21.11 C ATOM 966 C THR A 65 -3.659 4.586 -5.246 1.00 52.03 C ATOM 967 O THR A 65 -3.324 3.433 -5.495 1.00 73.42 O ATOM 968 CB THR A 65 -2.560 6.191 -6.861 1.00 1.03 C ATOM 969 OG1 THR A 65 -2.792 7.129 -7.922 1.00 11.51 O ATOM 970 CG2 THR A 65 -1.616 5.099 -7.361 1.00 10.32 C ATOM 0 H THR A 65 -4.436 7.578 -5.846 1.00 34.32 H new ATOM 0 HA THR A 65 -4.374 5.099 -7.220 1.00 21.11 H new ATOM 0 HB THR A 65 -2.093 6.691 -6.012 1.00 1.03 H new ATOM 0 HG1 THR A 65 -2.927 8.023 -7.544 1.00 11.51 H new ATOM 0 HG21 THR A 65 -0.682 5.551 -7.696 1.00 10.32 H new ATOM 0 HG22 THR A 65 -1.410 4.397 -6.552 1.00 10.32 H new ATOM 0 HG23 THR A 65 -2.081 4.569 -8.192 1.00 10.32 H new ATOM 978 N GLY A 66 -3.825 5.028 -4.001 1.00 11.31 N ATOM 979 CA GLY A 66 -3.773 4.115 -2.865 1.00 53.31 C ATOM 980 C GLY A 66 -5.029 3.248 -2.739 1.00 31.23 C ATOM 981 O GLY A 66 -4.952 2.083 -2.347 1.00 72.33 O ATOM 0 H GLY A 66 -3.995 6.003 -3.756 1.00 11.31 H new ATOM 0 HA2 GLY A 66 -2.900 3.469 -2.964 1.00 53.31 H new ATOM 0 HA3 GLY A 66 -3.641 4.690 -1.949 1.00 53.31 H new ATOM 985 N HIS A 67 -6.191 3.821 -3.073 1.00 51.22 N ATOM 986 CA HIS A 67 -7.473 3.096 -3.007 1.00 22.24 C ATOM 987 C HIS A 67 -7.431 1.774 -3.794 1.00 10.32 C ATOM 988 O HIS A 67 -7.836 0.726 -3.286 1.00 21.34 O ATOM 989 CB HIS A 67 -8.623 3.971 -3.535 1.00 25.02 C ATOM 990 CG HIS A 67 -8.952 5.146 -2.661 1.00 75.32 C ATOM 991 ND1 HIS A 67 -9.437 6.342 -3.152 1.00 42.41 N ATOM 992 CD2 HIS A 67 -8.899 5.293 -1.315 1.00 51.03 C ATOM 993 CE1 HIS A 67 -9.663 7.167 -2.150 1.00 72.31 C ATOM 994 NE2 HIS A 67 -9.347 6.557 -1.030 1.00 62.44 N ATOM 0 H HIS A 67 -6.274 4.786 -3.393 1.00 51.22 H new ATOM 0 HA HIS A 67 -7.647 2.861 -1.957 1.00 22.24 H new ATOM 0 HB2 HIS A 67 -8.362 4.334 -4.529 1.00 25.02 H new ATOM 0 HB3 HIS A 67 -9.514 3.353 -3.645 1.00 25.02 H new ATOM 0 HD1 HIS A 67 -9.596 6.554 -4.137 1.00 42.41 H new ATOM 0 HD2 HIS A 67 -8.567 4.554 -0.601 1.00 51.03 H new ATOM 0 HE1 HIS A 67 -10.044 8.174 -2.235 1.00 72.31 H new ATOM 1003 N GLN A 68 -6.937 1.829 -5.031 1.00 42.33 N ATOM 1004 CA GLN A 68 -6.837 0.630 -5.872 1.00 73.12 C ATOM 1005 C GLN A 68 -5.973 -0.454 -5.205 1.00 32.12 C ATOM 1006 O GLN A 68 -6.255 -1.642 -5.337 1.00 31.51 O ATOM 1007 CB GLN A 68 -6.277 0.981 -7.260 1.00 1.52 C ATOM 1008 CG GLN A 68 -4.921 1.673 -7.222 1.00 12.24 C ATOM 1009 CD GLN A 68 -4.362 1.968 -8.602 1.00 43.54 C ATOM 1010 OE1 GLN A 68 -5.101 2.146 -9.562 1.00 43.15 O ATOM 1011 NE2 GLN A 68 -3.052 2.041 -8.709 1.00 22.34 N ATOM 0 H GLN A 68 -6.601 2.684 -5.473 1.00 42.33 H new ATOM 0 HA GLN A 68 -7.844 0.230 -5.994 1.00 73.12 H new ATOM 0 HB2 GLN A 68 -6.191 0.067 -7.848 1.00 1.52 H new ATOM 0 HB3 GLN A 68 -6.989 1.626 -7.776 1.00 1.52 H new ATOM 0 HG2 GLN A 68 -5.012 2.607 -6.667 1.00 12.24 H new ATOM 0 HG3 GLN A 68 -4.215 1.046 -6.678 1.00 12.24 H new ATOM 0 HE21 GLN A 68 -2.464 1.887 -7.890 1.00 22.34 H new ATOM 0 HE22 GLN A 68 -2.625 2.251 -9.611 1.00 22.34 H new ATOM 1020 N LEU A 69 -4.931 -0.046 -4.476 1.00 41.24 N ATOM 1021 CA LEU A 69 -4.091 -1.003 -3.743 1.00 74.35 C ATOM 1022 C LEU A 69 -4.907 -1.778 -2.705 1.00 12.20 C ATOM 1023 O LEU A 69 -4.678 -2.964 -2.494 1.00 55.10 O ATOM 1024 CB LEU A 69 -2.902 -0.300 -3.068 1.00 14.52 C ATOM 1025 CG LEU A 69 -1.650 -0.135 -3.944 1.00 31.14 C ATOM 1026 CD1 LEU A 69 -1.115 -1.497 -4.381 1.00 51.40 C ATOM 1027 CD2 LEU A 69 -1.944 0.747 -5.154 1.00 12.43 C ATOM 0 H LEU A 69 -4.649 0.929 -4.376 1.00 41.24 H new ATOM 0 HA LEU A 69 -3.700 -1.713 -4.472 1.00 74.35 H new ATOM 0 HB2 LEU A 69 -3.226 0.687 -2.737 1.00 14.52 H new ATOM 0 HB3 LEU A 69 -2.628 -0.862 -2.175 1.00 14.52 H new ATOM 0 HG LEU A 69 -0.881 0.358 -3.348 1.00 31.14 H new ATOM 0 HD11 LEU A 69 -0.229 -1.358 -5.000 1.00 51.40 H new ATOM 0 HD12 LEU A 69 -0.854 -2.085 -3.501 1.00 51.40 H new ATOM 0 HD13 LEU A 69 -1.880 -2.021 -4.954 1.00 51.40 H new ATOM 0 HD21 LEU A 69 -1.042 0.848 -5.758 1.00 12.43 H new ATOM 0 HD22 LEU A 69 -2.733 0.292 -5.753 1.00 12.43 H new ATOM 0 HD23 LEU A 69 -2.267 1.732 -4.817 1.00 12.43 H new ATOM 1039 N LEU A 70 -5.856 -1.106 -2.061 1.00 33.25 N ATOM 1040 CA LEU A 70 -6.767 -1.771 -1.122 1.00 11.43 C ATOM 1041 C LEU A 70 -7.603 -2.849 -1.833 1.00 41.34 C ATOM 1042 O LEU A 70 -7.766 -3.961 -1.324 1.00 11.15 O ATOM 1043 CB LEU A 70 -7.685 -0.739 -0.439 1.00 53.32 C ATOM 1044 CG LEU A 70 -7.098 -0.037 0.800 1.00 35.12 C ATOM 1045 CD1 LEU A 70 -6.867 -1.047 1.922 1.00 22.33 C ATOM 1046 CD2 LEU A 70 -5.801 0.700 0.459 1.00 62.20 C ATOM 0 H LEU A 70 -6.018 -0.105 -2.168 1.00 33.25 H new ATOM 0 HA LEU A 70 -6.165 -2.261 -0.357 1.00 11.43 H new ATOM 0 HB2 LEU A 70 -7.953 0.022 -1.172 1.00 53.32 H new ATOM 0 HB3 LEU A 70 -8.608 -1.239 -0.147 1.00 53.32 H new ATOM 0 HG LEU A 70 -7.819 0.705 1.142 1.00 35.12 H new ATOM 0 HD11 LEU A 70 -6.452 -0.537 2.791 1.00 22.33 H new ATOM 0 HD12 LEU A 70 -7.814 -1.513 2.193 1.00 22.33 H new ATOM 0 HD13 LEU A 70 -6.169 -1.813 1.584 1.00 22.33 H new ATOM 0 HD21 LEU A 70 -5.412 1.185 1.354 1.00 62.20 H new ATOM 0 HD22 LEU A 70 -5.066 -0.012 0.083 1.00 62.20 H new ATOM 0 HD23 LEU A 70 -6.000 1.453 -0.304 1.00 62.20 H new ATOM 1058 N ASP A 71 -8.114 -2.518 -3.019 1.00 21.12 N ATOM 1059 CA ASP A 71 -8.904 -3.461 -3.820 1.00 24.33 C ATOM 1060 C ASP A 71 -8.052 -4.676 -4.244 1.00 4.43 C ATOM 1061 O ASP A 71 -8.420 -5.832 -3.993 1.00 74.41 O ATOM 1062 CB ASP A 71 -9.465 -2.742 -5.054 1.00 13.42 C ATOM 1063 CG ASP A 71 -10.505 -3.569 -5.790 1.00 32.14 C ATOM 1064 OD1 ASP A 71 -11.698 -3.485 -5.432 1.00 1.11 O ATOM 1065 OD2 ASP A 71 -10.139 -4.310 -6.724 1.00 12.41 O ATOM 0 H ASP A 71 -7.996 -1.601 -3.450 1.00 21.12 H new ATOM 0 HA ASP A 71 -9.730 -3.830 -3.212 1.00 24.33 H new ATOM 0 HB2 ASP A 71 -9.910 -1.795 -4.747 1.00 13.42 H new ATOM 0 HB3 ASP A 71 -8.647 -2.504 -5.734 1.00 13.42 H new ATOM 1070 N TYR A 72 -6.910 -4.401 -4.877 1.00 20.41 N ATOM 1071 CA TYR A 72 -5.975 -5.449 -5.313 1.00 15.52 C ATOM 1072 C TYR A 72 -5.506 -6.312 -4.130 1.00 33.13 C ATOM 1073 O TYR A 72 -5.601 -7.539 -4.169 1.00 41.31 O ATOM 1074 CB TYR A 72 -4.757 -4.825 -6.023 1.00 44.43 C ATOM 1075 CG TYR A 72 -5.042 -4.306 -7.424 1.00 25.54 C ATOM 1076 CD1 TYR A 72 -6.088 -3.421 -7.667 1.00 71.33 C ATOM 1077 CD2 TYR A 72 -4.258 -4.701 -8.504 1.00 24.55 C ATOM 1078 CE1 TYR A 72 -6.344 -2.947 -8.939 1.00 74.53 C ATOM 1079 CE2 TYR A 72 -4.508 -4.232 -9.779 1.00 14.23 C ATOM 1080 CZ TYR A 72 -5.552 -3.356 -9.992 1.00 74.34 C ATOM 1081 OH TYR A 72 -5.802 -2.882 -11.260 1.00 24.31 O ATOM 0 H TYR A 72 -6.605 -3.454 -5.102 1.00 20.41 H new ATOM 0 HA TYR A 72 -6.507 -6.093 -6.014 1.00 15.52 H new ATOM 0 HB2 TYR A 72 -4.379 -4.003 -5.415 1.00 44.43 H new ATOM 0 HB3 TYR A 72 -3.964 -5.571 -6.080 1.00 44.43 H new ATOM 0 HD1 TYR A 72 -6.711 -3.099 -6.846 1.00 71.33 H new ATOM 0 HD2 TYR A 72 -3.439 -5.387 -8.342 1.00 24.55 H new ATOM 0 HE1 TYR A 72 -7.160 -2.260 -9.108 1.00 74.53 H new ATOM 0 HE2 TYR A 72 -3.889 -4.550 -10.605 1.00 14.23 H new ATOM 0 HH TYR A 72 -5.154 -3.266 -11.887 1.00 24.31 H new ATOM 1091 N CYS A 73 -5.014 -5.661 -3.075 1.00 74.45 N ATOM 1092 CA CYS A 73 -4.522 -6.368 -1.880 1.00 70.31 C ATOM 1093 C CYS A 73 -5.621 -7.209 -1.218 1.00 2.44 C ATOM 1094 O CYS A 73 -5.361 -8.313 -0.740 1.00 53.15 O ATOM 1095 CB CYS A 73 -3.955 -5.374 -0.859 1.00 54.01 C ATOM 1096 SG CYS A 73 -2.475 -4.502 -1.418 1.00 65.33 S ATOM 0 H CYS A 73 -4.943 -4.645 -3.019 1.00 74.45 H new ATOM 0 HA CYS A 73 -3.732 -7.041 -2.212 1.00 70.31 H new ATOM 0 HB2 CYS A 73 -4.725 -4.641 -0.616 1.00 54.01 H new ATOM 0 HB3 CYS A 73 -3.722 -5.909 0.062 1.00 54.01 H new ATOM 0 HG CYS A 73 -2.821 -3.491 -2.159 1.00 65.33 H new ATOM 1102 N SER A 74 -6.844 -6.678 -1.188 1.00 64.21 N ATOM 1103 CA SER A 74 -7.997 -7.404 -0.630 1.00 73.14 C ATOM 1104 C SER A 74 -8.155 -8.782 -1.278 1.00 72.12 C ATOM 1105 O SER A 74 -8.271 -9.797 -0.592 1.00 64.22 O ATOM 1106 CB SER A 74 -9.290 -6.602 -0.829 1.00 50.33 C ATOM 1107 OG SER A 74 -10.430 -7.337 -0.400 1.00 13.31 O ATOM 0 H SER A 74 -7.067 -5.748 -1.542 1.00 64.21 H new ATOM 0 HA SER A 74 -7.811 -7.536 0.436 1.00 73.14 H new ATOM 0 HB2 SER A 74 -9.228 -5.666 -0.273 1.00 50.33 H new ATOM 0 HB3 SER A 74 -9.399 -6.341 -1.882 1.00 50.33 H new ATOM 0 HG SER A 74 -11.237 -6.799 -0.538 1.00 13.31 H new ATOM 1113 N GLY A 75 -8.153 -8.811 -2.604 1.00 53.33 N ATOM 1114 CA GLY A 75 -8.301 -10.067 -3.327 1.00 62.34 C ATOM 1115 C GLY A 75 -7.024 -10.902 -3.371 1.00 10.50 C ATOM 1116 O GLY A 75 -7.074 -12.134 -3.342 1.00 10.44 O ATOM 0 H GLY A 75 -8.051 -7.987 -3.197 1.00 53.33 H new ATOM 0 HA2 GLY A 75 -9.093 -10.654 -2.861 1.00 62.34 H new ATOM 0 HA3 GLY A 75 -8.621 -9.854 -4.347 1.00 62.34 H new ATOM 1120 N TYR A 76 -5.874 -10.232 -3.435 1.00 10.34 N ATOM 1121 CA TYR A 76 -4.587 -10.920 -3.573 1.00 24.33 C ATOM 1122 C TYR A 76 -4.164 -11.642 -2.283 1.00 22.54 C ATOM 1123 O TYR A 76 -3.622 -12.747 -2.337 1.00 74.21 O ATOM 1124 CB TYR A 76 -3.491 -9.935 -3.996 1.00 22.44 C ATOM 1125 CG TYR A 76 -2.208 -10.618 -4.435 1.00 15.52 C ATOM 1126 CD1 TYR A 76 -2.150 -11.288 -5.654 1.00 63.32 C ATOM 1127 CD2 TYR A 76 -1.071 -10.615 -3.633 1.00 3.31 C ATOM 1128 CE1 TYR A 76 -0.996 -11.923 -6.063 1.00 41.02 C ATOM 1129 CE2 TYR A 76 0.089 -11.250 -4.038 1.00 71.45 C ATOM 1130 CZ TYR A 76 0.118 -11.906 -5.252 1.00 34.34 C ATOM 1131 OH TYR A 76 1.269 -12.545 -5.662 1.00 40.53 O ATOM 0 H TYR A 76 -5.805 -9.215 -3.394 1.00 10.34 H new ATOM 0 HA TYR A 76 -4.719 -11.676 -4.347 1.00 24.33 H new ATOM 0 HB2 TYR A 76 -3.863 -9.317 -4.813 1.00 22.44 H new ATOM 0 HB3 TYR A 76 -3.272 -9.266 -3.164 1.00 22.44 H new ATOM 0 HD1 TYR A 76 -3.023 -11.311 -6.290 1.00 63.32 H new ATOM 0 HD2 TYR A 76 -1.095 -10.109 -2.679 1.00 3.31 H new ATOM 0 HE1 TYR A 76 -0.966 -12.432 -7.015 1.00 41.02 H new ATOM 0 HE2 TYR A 76 0.966 -11.233 -3.408 1.00 71.45 H new ATOM 0 HH TYR A 76 1.963 -12.439 -4.978 1.00 40.53 H new ATOM 1141 N VAL A 77 -4.412 -11.020 -1.127 1.00 25.21 N ATOM 1142 CA VAL A 77 -3.990 -11.593 0.160 1.00 11.55 C ATOM 1143 C VAL A 77 -4.567 -13.003 0.376 1.00 13.54 C ATOM 1144 O VAL A 77 -3.872 -13.905 0.843 1.00 44.44 O ATOM 1145 CB VAL A 77 -4.382 -10.684 1.356 1.00 23.44 C ATOM 1146 CG1 VAL A 77 -5.897 -10.593 1.524 1.00 5.33 C ATOM 1147 CG2 VAL A 77 -3.715 -11.172 2.641 1.00 13.13 C ATOM 0 H VAL A 77 -4.899 -10.127 -1.053 1.00 25.21 H new ATOM 0 HA VAL A 77 -2.903 -11.663 0.118 1.00 11.55 H new ATOM 0 HB VAL A 77 -4.021 -9.678 1.141 1.00 23.44 H new ATOM 0 HG11 VAL A 77 -6.131 -9.948 2.371 1.00 5.33 H new ATOM 0 HG12 VAL A 77 -6.339 -10.177 0.619 1.00 5.33 H new ATOM 0 HG13 VAL A 77 -6.304 -11.588 1.703 1.00 5.33 H new ATOM 0 HG21 VAL A 77 -4.001 -10.523 3.469 1.00 13.13 H new ATOM 0 HG22 VAL A 77 -4.035 -12.192 2.852 1.00 13.13 H new ATOM 0 HG23 VAL A 77 -2.632 -11.150 2.520 1.00 13.13 H new ATOM 1157 N ASP A 78 -5.831 -13.188 0.001 1.00 14.24 N ATOM 1158 CA ASP A 78 -6.501 -14.485 0.121 1.00 43.30 C ATOM 1159 C ASP A 78 -5.841 -15.541 -0.788 1.00 30.42 C ATOM 1160 O ASP A 78 -5.951 -16.746 -0.552 1.00 51.50 O ATOM 1161 CB ASP A 78 -7.987 -14.313 -0.228 1.00 42.40 C ATOM 1162 CG ASP A 78 -8.766 -15.615 -0.200 1.00 24.54 C ATOM 1163 OD1 ASP A 78 -8.910 -16.202 0.891 1.00 43.14 O ATOM 1164 OD2 ASP A 78 -9.257 -16.043 -1.267 1.00 60.52 O ATOM 0 H ASP A 78 -6.417 -12.451 -0.392 1.00 14.24 H new ATOM 0 HA ASP A 78 -6.408 -14.842 1.147 1.00 43.30 H new ATOM 0 HB2 ASP A 78 -8.439 -13.612 0.474 1.00 42.40 H new ATOM 0 HB3 ASP A 78 -8.071 -13.869 -1.220 1.00 42.40 H new ATOM 1169 N CYS A 79 -5.134 -15.073 -1.812 1.00 61.42 N ATOM 1170 CA CYS A 79 -4.473 -15.954 -2.782 1.00 50.01 C ATOM 1171 C CYS A 79 -2.976 -16.146 -2.465 1.00 42.13 C ATOM 1172 O CYS A 79 -2.249 -16.777 -3.238 1.00 61.30 O ATOM 1173 CB CYS A 79 -4.633 -15.377 -4.195 1.00 14.24 C ATOM 1174 SG CYS A 79 -6.351 -15.101 -4.689 1.00 13.55 S ATOM 0 H CYS A 79 -5.001 -14.079 -1.996 1.00 61.42 H new ATOM 0 HA CYS A 79 -4.951 -16.932 -2.720 1.00 50.01 H new ATOM 0 HB2 CYS A 79 -4.093 -14.432 -4.253 1.00 14.24 H new ATOM 0 HB3 CYS A 79 -4.166 -16.056 -4.908 1.00 14.24 H new ATOM 0 HG CYS A 79 -6.753 -13.951 -4.236 1.00 13.55 H new ATOM 1180 N ILE A 80 -2.520 -15.610 -1.330 1.00 32.04 N ATOM 1181 CA ILE A 80 -1.113 -15.745 -0.918 1.00 55.01 C ATOM 1182 C ILE A 80 -0.850 -17.106 -0.241 1.00 62.32 C ATOM 1183 O ILE A 80 -1.461 -17.431 0.779 1.00 30.40 O ATOM 1184 CB ILE A 80 -0.687 -14.599 0.040 1.00 12.23 C ATOM 1185 CG1 ILE A 80 -0.738 -13.244 -0.690 1.00 31.33 C ATOM 1186 CG2 ILE A 80 0.709 -14.855 0.610 1.00 53.11 C ATOM 1187 CD1 ILE A 80 -0.325 -12.067 0.171 1.00 74.12 C ATOM 0 H ILE A 80 -3.099 -15.080 -0.679 1.00 32.04 H new ATOM 0 HA ILE A 80 -0.514 -15.683 -1.827 1.00 55.01 H new ATOM 0 HB ILE A 80 -1.389 -14.570 0.873 1.00 12.23 H new ATOM 0 HG12 ILE A 80 -0.088 -13.288 -1.564 1.00 31.33 H new ATOM 0 HG13 ILE A 80 -1.751 -13.077 -1.055 1.00 31.33 H new ATOM 0 HG21 ILE A 80 0.985 -14.039 1.278 1.00 53.11 H new ATOM 0 HG22 ILE A 80 0.709 -15.793 1.165 1.00 53.11 H new ATOM 0 HG23 ILE A 80 1.430 -14.916 -0.206 1.00 53.11 H new ATOM 0 HD11 ILE A 80 -0.387 -11.149 -0.414 1.00 74.12 H new ATOM 0 HD12 ILE A 80 -0.990 -11.995 1.032 1.00 74.12 H new ATOM 0 HD13 ILE A 80 0.699 -12.210 0.515 1.00 74.12 H new ATOM 1199 N PRO A 81 0.071 -17.919 -0.806 1.00 54.12 N ATOM 1200 CA PRO A 81 0.394 -19.258 -0.273 1.00 14.33 C ATOM 1201 C PRO A 81 0.967 -19.227 1.156 1.00 5.52 C ATOM 1202 O PRO A 81 0.426 -19.857 2.069 1.00 52.32 O ATOM 1203 CB PRO A 81 1.444 -19.800 -1.262 1.00 63.13 C ATOM 1204 CG PRO A 81 1.278 -18.974 -2.494 1.00 41.12 C ATOM 1205 CD PRO A 81 0.852 -17.612 -2.019 1.00 22.14 C ATOM 0 HA PRO A 81 -0.501 -19.875 -0.193 1.00 14.33 H new ATOM 0 HB2 PRO A 81 2.452 -19.707 -0.858 1.00 63.13 H new ATOM 0 HB3 PRO A 81 1.281 -20.857 -1.471 1.00 63.13 H new ATOM 0 HG2 PRO A 81 2.210 -18.918 -3.056 1.00 41.12 H new ATOM 0 HG3 PRO A 81 0.531 -19.408 -3.158 1.00 41.12 H new ATOM 0 HD2 PRO A 81 1.708 -16.974 -1.798 1.00 22.14 H new ATOM 0 HD3 PRO A 81 0.252 -17.092 -2.766 1.00 22.14 H new ATOM 1213 N GLN A 82 2.062 -18.491 1.342 1.00 62.35 N ATOM 1214 CA GLN A 82 2.749 -18.432 2.637 1.00 22.21 C ATOM 1215 C GLN A 82 1.964 -17.587 3.654 1.00 1.12 C ATOM 1216 O GLN A 82 1.831 -16.370 3.495 1.00 22.23 O ATOM 1217 CB GLN A 82 4.157 -17.849 2.456 1.00 44.23 C ATOM 1218 CG GLN A 82 5.001 -18.582 1.415 1.00 64.03 C ATOM 1219 CD GLN A 82 6.349 -17.921 1.187 1.00 42.52 C ATOM 1220 OE1 GLN A 82 7.337 -18.248 1.838 1.00 62.24 O ATOM 1221 NE2 GLN A 82 6.401 -16.977 0.269 1.00 41.31 N ATOM 0 H GLN A 82 2.495 -17.925 0.612 1.00 62.35 H new ATOM 0 HA GLN A 82 2.819 -19.448 3.025 1.00 22.21 H new ATOM 0 HB2 GLN A 82 4.072 -16.801 2.168 1.00 44.23 H new ATOM 0 HB3 GLN A 82 4.676 -17.875 3.414 1.00 44.23 H new ATOM 0 HG2 GLN A 82 5.155 -19.612 1.737 1.00 64.03 H new ATOM 0 HG3 GLN A 82 4.455 -18.621 0.472 1.00 64.03 H new ATOM 0 HE21 GLN A 82 5.562 -16.728 -0.255 1.00 41.31 H new ATOM 0 HE22 GLN A 82 7.280 -16.495 0.082 1.00 41.31 H new ATOM 1230 N THR A 83 1.454 -18.230 4.704 1.00 60.42 N ATOM 1231 CA THR A 83 0.691 -17.528 5.745 1.00 35.03 C ATOM 1232 C THR A 83 1.551 -16.468 6.444 1.00 45.54 C ATOM 1233 O THR A 83 1.045 -15.426 6.855 1.00 2.55 O ATOM 1234 CB THR A 83 0.124 -18.499 6.810 1.00 43.00 C ATOM 1235 OG1 THR A 83 -0.556 -19.593 6.175 1.00 42.11 O ATOM 1236 CG2 THR A 83 -0.850 -17.780 7.742 1.00 65.13 C ATOM 0 H THR A 83 1.553 -19.233 4.859 1.00 60.42 H new ATOM 0 HA THR A 83 -0.143 -17.045 5.237 1.00 35.03 H new ATOM 0 HB THR A 83 0.962 -18.877 7.395 1.00 43.00 H new ATOM 0 HG1 THR A 83 -0.908 -20.200 6.859 1.00 42.11 H new ATOM 0 HG21 THR A 83 -1.234 -18.484 8.480 1.00 65.13 H new ATOM 0 HG22 THR A 83 -0.333 -16.966 8.251 1.00 65.13 H new ATOM 0 HG23 THR A 83 -1.679 -17.376 7.161 1.00 65.13 H new ATOM 1244 N ARG A 84 2.853 -16.741 6.568 1.00 54.15 N ATOM 1245 CA ARG A 84 3.804 -15.764 7.116 1.00 11.03 C ATOM 1246 C ARG A 84 3.706 -14.426 6.367 1.00 30.33 C ATOM 1247 O ARG A 84 3.587 -13.359 6.975 1.00 23.40 O ATOM 1248 CB ARG A 84 5.233 -16.314 7.018 1.00 32.31 C ATOM 1249 CG ARG A 84 5.486 -17.550 7.880 1.00 11.13 C ATOM 1250 CD ARG A 84 5.517 -17.211 9.369 1.00 73.31 C ATOM 1251 NE ARG A 84 5.601 -18.410 10.201 1.00 23.03 N ATOM 1252 CZ ARG A 84 6.703 -18.880 10.720 1.00 15.51 C ATOM 1253 NH1 ARG A 84 7.840 -18.291 10.516 1.00 2.12 N ATOM 1254 NH2 ARG A 84 6.662 -19.947 11.444 1.00 21.22 N ATOM 0 H ARG A 84 3.274 -17.629 6.297 1.00 54.15 H new ATOM 0 HA ARG A 84 3.554 -15.591 8.163 1.00 11.03 H new ATOM 0 HB2 ARG A 84 5.446 -16.560 5.978 1.00 32.31 H new ATOM 0 HB3 ARG A 84 5.933 -15.531 7.310 1.00 32.31 H new ATOM 0 HG2 ARG A 84 4.707 -18.289 7.692 1.00 11.13 H new ATOM 0 HG3 ARG A 84 6.433 -18.006 7.592 1.00 11.13 H new ATOM 0 HD2 ARG A 84 6.370 -16.565 9.576 1.00 73.31 H new ATOM 0 HD3 ARG A 84 4.621 -16.649 9.632 1.00 73.31 H new ATOM 0 HE ARG A 84 4.736 -18.916 10.390 1.00 23.03 H new ATOM 0 HH11 ARG A 84 7.882 -17.448 9.943 1.00 2.12 H new ATOM 0 HH12 ARG A 84 8.692 -18.671 10.928 1.00 2.12 H new ATOM 0 HH21 ARG A 84 5.772 -20.418 11.608 1.00 21.22 H new ATOM 0 HH22 ARG A 84 7.519 -20.319 11.852 1.00 21.22 H new ATOM 1268 N ASN A 85 3.753 -14.495 5.038 1.00 35.11 N ATOM 1269 CA ASN A 85 3.592 -13.309 4.199 1.00 74.44 C ATOM 1270 C ASN A 85 2.166 -12.756 4.307 1.00 61.52 C ATOM 1271 O ASN A 85 1.967 -11.558 4.461 1.00 21.30 O ATOM 1272 CB ASN A 85 3.902 -13.628 2.730 1.00 33.31 C ATOM 1273 CG ASN A 85 5.272 -14.242 2.534 1.00 62.04 C ATOM 1274 OD1 ASN A 85 5.739 -15.029 3.350 1.00 32.11 O ATOM 1275 ND2 ASN A 85 5.937 -13.869 1.465 1.00 35.23 N ATOM 0 H ASN A 85 3.901 -15.360 4.519 1.00 35.11 H new ATOM 0 HA ASN A 85 4.297 -12.558 4.556 1.00 74.44 H new ATOM 0 HB2 ASN A 85 3.145 -14.311 2.345 1.00 33.31 H new ATOM 0 HB3 ASN A 85 3.833 -12.712 2.143 1.00 33.31 H new ATOM 0 HD21 ASN A 85 6.873 -14.236 1.293 1.00 35.23 H new ATOM 0 HD22 ASN A 85 5.518 -13.212 0.807 1.00 35.23 H new ATOM 1282 N LYS A 86 1.180 -13.645 4.237 1.00 25.21 N ATOM 1283 CA LYS A 86 -0.235 -13.254 4.266 1.00 25.23 C ATOM 1284 C LYS A 86 -0.594 -12.430 5.521 1.00 41.11 C ATOM 1285 O LYS A 86 -1.341 -11.452 5.439 1.00 72.22 O ATOM 1286 CB LYS A 86 -1.110 -14.511 4.162 1.00 55.21 C ATOM 1287 CG LYS A 86 -2.613 -14.243 4.191 1.00 51.42 C ATOM 1288 CD LYS A 86 -3.412 -15.398 3.587 1.00 12.53 C ATOM 1289 CE LYS A 86 -3.068 -16.739 4.222 1.00 74.44 C ATOM 1290 NZ LYS A 86 -3.781 -17.861 3.557 1.00 32.11 N ATOM 0 H LYS A 86 1.332 -14.651 4.159 1.00 25.21 H new ATOM 0 HA LYS A 86 -0.425 -12.605 3.411 1.00 25.23 H new ATOM 0 HB2 LYS A 86 -0.865 -15.033 3.237 1.00 55.21 H new ATOM 0 HB3 LYS A 86 -0.858 -15.182 4.983 1.00 55.21 H new ATOM 0 HG2 LYS A 86 -2.933 -14.080 5.220 1.00 51.42 H new ATOM 0 HG3 LYS A 86 -2.829 -13.327 3.642 1.00 51.42 H new ATOM 0 HD2 LYS A 86 -4.477 -15.203 3.712 1.00 12.53 H new ATOM 0 HD3 LYS A 86 -3.220 -15.447 2.515 1.00 12.53 H new ATOM 0 HE2 LYS A 86 -1.992 -16.905 4.162 1.00 74.44 H new ATOM 0 HE3 LYS A 86 -3.329 -16.718 5.280 1.00 74.44 H new ATOM 0 HZ1 LYS A 86 -3.522 -18.758 4.016 1.00 32.11 H new ATOM 0 HZ2 LYS A 86 -4.808 -17.715 3.636 1.00 32.11 H new ATOM 0 HZ3 LYS A 86 -3.513 -17.896 2.553 1.00 32.11 H new ATOM 1304 N PHE A 87 -0.049 -12.817 6.676 1.00 41.41 N ATOM 1305 CA PHE A 87 -0.281 -12.077 7.925 1.00 73.41 C ATOM 1306 C PHE A 87 0.388 -10.693 7.876 1.00 62.21 C ATOM 1307 O PHE A 87 -0.262 -9.663 8.071 1.00 40.51 O ATOM 1308 CB PHE A 87 0.265 -12.874 9.115 1.00 34.31 C ATOM 1309 CG PHE A 87 -0.137 -12.321 10.460 1.00 73.43 C ATOM 1310 CD1 PHE A 87 -1.349 -12.675 11.032 1.00 33.32 C ATOM 1311 CD2 PHE A 87 0.695 -11.447 11.148 1.00 51.12 C ATOM 1312 CE1 PHE A 87 -1.723 -12.174 12.263 1.00 73.41 C ATOM 1313 CE2 PHE A 87 0.326 -10.945 12.380 1.00 42.20 C ATOM 1314 CZ PHE A 87 -0.887 -11.308 12.937 1.00 61.14 C ATOM 0 H PHE A 87 0.554 -13.634 6.776 1.00 41.41 H new ATOM 0 HA PHE A 87 -1.355 -11.937 8.044 1.00 73.41 H new ATOM 0 HB2 PHE A 87 -0.082 -13.905 9.039 1.00 34.31 H new ATOM 0 HB3 PHE A 87 1.353 -12.899 9.054 1.00 34.31 H new ATOM 0 HD1 PHE A 87 -2.009 -13.351 10.508 1.00 33.32 H new ATOM 0 HD2 PHE A 87 1.641 -11.157 10.714 1.00 51.12 H new ATOM 0 HE1 PHE A 87 -2.669 -12.460 12.698 1.00 73.41 H new ATOM 0 HE2 PHE A 87 0.983 -10.270 12.908 1.00 42.20 H new ATOM 0 HZ PHE A 87 -1.179 -10.914 13.899 1.00 61.14 H new ATOM 1324 N ALA A 88 1.692 -10.684 7.600 1.00 10.41 N ATOM 1325 CA ALA A 88 2.462 -9.441 7.485 1.00 35.32 C ATOM 1326 C ALA A 88 1.888 -8.524 6.391 1.00 51.15 C ATOM 1327 O ALA A 88 1.988 -7.297 6.464 1.00 63.02 O ATOM 1328 CB ALA A 88 3.924 -9.761 7.199 1.00 4.22 C ATOM 0 H ALA A 88 2.243 -11.530 7.451 1.00 10.41 H new ATOM 0 HA ALA A 88 2.391 -8.908 8.433 1.00 35.32 H new ATOM 0 HB1 ALA A 88 4.490 -8.833 7.115 1.00 4.22 H new ATOM 0 HB2 ALA A 88 4.331 -10.362 8.013 1.00 4.22 H new ATOM 0 HB3 ALA A 88 3.999 -10.317 6.265 1.00 4.22 H new ATOM 1334 N PHE A 89 1.288 -9.139 5.377 1.00 71.34 N ATOM 1335 CA PHE A 89 0.645 -8.411 4.284 1.00 14.11 C ATOM 1336 C PHE A 89 -0.617 -7.691 4.780 1.00 33.15 C ATOM 1337 O PHE A 89 -0.818 -6.512 4.502 1.00 52.43 O ATOM 1338 CB PHE A 89 0.294 -9.386 3.153 1.00 32.13 C ATOM 1339 CG PHE A 89 -0.178 -8.727 1.882 1.00 30.23 C ATOM 1340 CD1 PHE A 89 0.733 -8.294 0.929 1.00 52.34 C ATOM 1341 CD2 PHE A 89 -1.531 -8.548 1.635 1.00 52.11 C ATOM 1342 CE1 PHE A 89 0.304 -7.703 -0.241 1.00 61.20 C ATOM 1343 CE2 PHE A 89 -1.963 -7.959 0.464 1.00 72.43 C ATOM 1344 CZ PHE A 89 -1.045 -7.534 -0.474 1.00 62.13 C ATOM 0 H PHE A 89 1.233 -10.154 5.288 1.00 71.34 H new ATOM 0 HA PHE A 89 1.337 -7.658 3.907 1.00 14.11 H new ATOM 0 HB2 PHE A 89 1.171 -9.993 2.928 1.00 32.13 H new ATOM 0 HB3 PHE A 89 -0.482 -10.066 3.505 1.00 32.13 H new ATOM 0 HD1 PHE A 89 1.791 -8.421 1.106 1.00 52.34 H new ATOM 0 HD2 PHE A 89 -2.255 -8.873 2.368 1.00 52.11 H new ATOM 0 HE1 PHE A 89 1.024 -7.373 -0.975 1.00 61.20 H new ATOM 0 HE2 PHE A 89 -3.020 -7.831 0.282 1.00 72.43 H new ATOM 0 HZ PHE A 89 -1.382 -7.070 -1.389 1.00 62.13 H new ATOM 1354 N ARG A 90 -1.461 -8.405 5.527 1.00 44.44 N ATOM 1355 CA ARG A 90 -2.692 -7.821 6.072 1.00 4.11 C ATOM 1356 C ARG A 90 -2.408 -6.651 7.022 1.00 65.43 C ATOM 1357 O ARG A 90 -3.094 -5.623 6.971 1.00 25.10 O ATOM 1358 CB ARG A 90 -3.538 -8.882 6.793 1.00 35.23 C ATOM 1359 CG ARG A 90 -4.432 -9.702 5.868 1.00 2.45 C ATOM 1360 CD ARG A 90 -5.338 -8.804 5.020 1.00 14.34 C ATOM 1361 NE ARG A 90 -6.024 -7.796 5.830 1.00 33.32 N ATOM 1362 CZ ARG A 90 -6.582 -6.712 5.359 1.00 2.34 C ATOM 1363 NH1 ARG A 90 -6.605 -6.470 4.086 1.00 73.31 N ATOM 1364 NH2 ARG A 90 -7.120 -5.863 6.171 1.00 64.15 N ATOM 0 H ARG A 90 -1.317 -9.385 5.769 1.00 44.44 H new ATOM 0 HA ARG A 90 -3.254 -7.435 5.221 1.00 4.11 H new ATOM 0 HB2 ARG A 90 -2.873 -9.558 7.330 1.00 35.23 H new ATOM 0 HB3 ARG A 90 -4.161 -8.389 7.539 1.00 35.23 H new ATOM 0 HG2 ARG A 90 -3.814 -10.317 5.214 1.00 2.45 H new ATOM 0 HG3 ARG A 90 -5.044 -10.382 6.461 1.00 2.45 H new ATOM 0 HD2 ARG A 90 -4.742 -8.309 4.253 1.00 14.34 H new ATOM 0 HD3 ARG A 90 -6.076 -9.418 4.504 1.00 14.34 H new ATOM 0 HE ARG A 90 -6.070 -7.951 6.837 1.00 33.32 H new ATOM 0 HH11 ARG A 90 -6.183 -7.131 3.434 1.00 73.31 H new ATOM 0 HH12 ARG A 90 -7.045 -5.619 3.737 1.00 73.31 H new ATOM 0 HH21 ARG A 90 -7.108 -6.040 7.175 1.00 64.15 H new ATOM 0 HH22 ARG A 90 -7.556 -5.016 5.808 1.00 64.15 H new ATOM 1378 N GLU A 91 -1.419 -6.807 7.899 1.00 33.12 N ATOM 1379 CA GLU A 91 -1.066 -5.731 8.828 1.00 64.24 C ATOM 1380 C GLU A 91 -0.449 -4.542 8.066 1.00 63.15 C ATOM 1381 O GLU A 91 -0.686 -3.381 8.405 1.00 30.45 O ATOM 1382 CB GLU A 91 -0.118 -6.238 9.934 1.00 53.25 C ATOM 1383 CG GLU A 91 1.342 -6.379 9.516 1.00 41.44 C ATOM 1384 CD GLU A 91 2.262 -6.616 10.705 1.00 33.03 C ATOM 1385 OE1 GLU A 91 2.502 -5.659 11.472 1.00 45.20 O ATOM 1386 OE2 GLU A 91 2.751 -7.754 10.878 1.00 73.43 O ATOM 0 H GLU A 91 -0.855 -7.652 7.988 1.00 33.12 H new ATOM 0 HA GLU A 91 -1.979 -5.387 9.314 1.00 64.24 H new ATOM 0 HB2 GLU A 91 -0.173 -5.554 10.781 1.00 53.25 H new ATOM 0 HB3 GLU A 91 -0.476 -7.207 10.283 1.00 53.25 H new ATOM 0 HG2 GLU A 91 1.438 -7.207 8.814 1.00 41.44 H new ATOM 0 HG3 GLU A 91 1.656 -5.477 8.990 1.00 41.44 H new ATOM 1393 N ALA A 92 0.322 -4.845 7.016 1.00 23.30 N ATOM 1394 CA ALA A 92 0.904 -3.813 6.147 1.00 73.44 C ATOM 1395 C ALA A 92 -0.187 -3.008 5.420 1.00 23.24 C ATOM 1396 O ALA A 92 -0.140 -1.778 5.374 1.00 31.34 O ATOM 1397 CB ALA A 92 1.854 -4.448 5.135 1.00 32.01 C ATOM 0 H ALA A 92 0.559 -5.800 6.746 1.00 23.30 H new ATOM 0 HA ALA A 92 1.464 -3.123 6.778 1.00 73.44 H new ATOM 0 HB1 ALA A 92 2.278 -3.672 4.498 1.00 32.01 H new ATOM 0 HB2 ALA A 92 2.657 -4.963 5.663 1.00 32.01 H new ATOM 0 HB3 ALA A 92 1.306 -5.163 4.521 1.00 32.01 H new ATOM 1403 N VAL A 93 -1.167 -3.714 4.855 1.00 24.10 N ATOM 1404 CA VAL A 93 -2.310 -3.072 4.193 1.00 51.11 C ATOM 1405 C VAL A 93 -3.073 -2.156 5.165 1.00 64.35 C ATOM 1406 O VAL A 93 -3.528 -1.074 4.790 1.00 74.34 O ATOM 1407 CB VAL A 93 -3.279 -4.131 3.603 1.00 51.14 C ATOM 1408 CG1 VAL A 93 -4.555 -3.484 3.067 1.00 24.11 C ATOM 1409 CG2 VAL A 93 -2.583 -4.931 2.505 1.00 74.34 C ATOM 0 H VAL A 93 -1.195 -4.734 4.841 1.00 24.10 H new ATOM 0 HA VAL A 93 -1.914 -2.465 3.379 1.00 51.11 H new ATOM 0 HB VAL A 93 -3.565 -4.809 4.407 1.00 51.14 H new ATOM 0 HG11 VAL A 93 -5.211 -4.254 2.661 1.00 24.11 H new ATOM 0 HG12 VAL A 93 -5.066 -2.962 3.876 1.00 24.11 H new ATOM 0 HG13 VAL A 93 -4.300 -2.774 2.281 1.00 24.11 H new ATOM 0 HG21 VAL A 93 -3.274 -5.670 2.100 1.00 74.34 H new ATOM 0 HG22 VAL A 93 -2.265 -4.257 1.710 1.00 74.34 H new ATOM 0 HG23 VAL A 93 -1.712 -5.438 2.921 1.00 74.34 H new ATOM 1419 N SER A 94 -3.182 -2.589 6.422 1.00 34.54 N ATOM 1420 CA SER A 94 -3.836 -1.786 7.464 1.00 55.33 C ATOM 1421 C SER A 94 -3.089 -0.462 7.672 1.00 61.42 C ATOM 1422 O SER A 94 -3.697 0.598 7.820 1.00 31.41 O ATOM 1423 CB SER A 94 -3.898 -2.564 8.784 1.00 43.34 C ATOM 1424 OG SER A 94 -4.481 -1.785 9.823 1.00 30.31 O ATOM 0 H SER A 94 -2.828 -3.489 6.746 1.00 34.54 H new ATOM 0 HA SER A 94 -4.853 -1.568 7.137 1.00 55.33 H new ATOM 0 HB2 SER A 94 -4.478 -3.476 8.643 1.00 43.34 H new ATOM 0 HB3 SER A 94 -2.893 -2.867 9.076 1.00 43.34 H new ATOM 0 HG SER A 94 -4.507 -2.310 10.650 1.00 30.31 H new ATOM 1430 N LYS A 95 -1.760 -0.542 7.667 1.00 74.20 N ATOM 1431 CA LYS A 95 -0.898 0.642 7.760 1.00 22.02 C ATOM 1432 C LYS A 95 -1.081 1.552 6.533 1.00 62.23 C ATOM 1433 O LYS A 95 -1.093 2.777 6.653 1.00 11.02 O ATOM 1434 CB LYS A 95 0.572 0.204 7.867 1.00 72.41 C ATOM 1435 CG LYS A 95 0.851 -0.734 9.040 1.00 53.31 C ATOM 1436 CD LYS A 95 2.230 -1.382 8.945 1.00 75.40 C ATOM 1437 CE LYS A 95 3.356 -0.357 9.023 1.00 4.32 C ATOM 1438 NZ LYS A 95 3.347 0.385 10.313 1.00 34.04 N ATOM 0 H LYS A 95 -1.249 -1.422 7.599 1.00 74.20 H new ATOM 0 HA LYS A 95 -1.179 1.205 8.650 1.00 22.02 H new ATOM 0 HB2 LYS A 95 0.862 -0.291 6.941 1.00 72.41 H new ATOM 0 HB3 LYS A 95 1.199 1.090 7.965 1.00 72.41 H new ATOM 0 HG2 LYS A 95 0.777 -0.177 9.974 1.00 53.31 H new ATOM 0 HG3 LYS A 95 0.088 -1.511 9.071 1.00 53.31 H new ATOM 0 HD2 LYS A 95 2.345 -2.107 9.751 1.00 75.40 H new ATOM 0 HD3 LYS A 95 2.307 -1.933 8.007 1.00 75.40 H new ATOM 0 HE2 LYS A 95 4.315 -0.862 8.902 1.00 4.32 H new ATOM 0 HE3 LYS A 95 3.261 0.349 8.198 1.00 4.32 H new ATOM 0 HZ1 LYS A 95 4.226 0.933 10.405 1.00 34.04 H new ATOM 0 HZ2 LYS A 95 2.533 1.031 10.336 1.00 34.04 H new ATOM 0 HZ3 LYS A 95 3.276 -0.290 11.101 1.00 34.04 H new ATOM 1452 N LEU A 96 -1.226 0.944 5.354 1.00 44.32 N ATOM 1453 CA LEU A 96 -1.404 1.702 4.110 1.00 11.34 C ATOM 1454 C LEU A 96 -2.691 2.540 4.136 1.00 31.45 C ATOM 1455 O LEU A 96 -2.655 3.753 3.917 1.00 13.03 O ATOM 1456 CB LEU A 96 -1.441 0.749 2.907 1.00 55.41 C ATOM 1457 CG LEU A 96 -1.639 1.426 1.537 1.00 65.32 C ATOM 1458 CD1 LEU A 96 -0.433 2.293 1.180 1.00 62.54 C ATOM 1459 CD2 LEU A 96 -1.897 0.386 0.450 1.00 5.14 C ATOM 0 H LEU A 96 -1.224 -0.069 5.233 1.00 44.32 H new ATOM 0 HA LEU A 96 -0.555 2.380 4.017 1.00 11.34 H new ATOM 0 HB2 LEU A 96 -0.509 0.184 2.883 1.00 55.41 H new ATOM 0 HB3 LEU A 96 -2.246 0.030 3.058 1.00 55.41 H new ATOM 0 HG LEU A 96 -2.514 2.072 1.603 1.00 65.32 H new ATOM 0 HD11 LEU A 96 -0.596 2.761 0.209 1.00 62.54 H new ATOM 0 HD12 LEU A 96 -0.303 3.066 1.938 1.00 62.54 H new ATOM 0 HD13 LEU A 96 0.462 1.672 1.138 1.00 62.54 H new ATOM 0 HD21 LEU A 96 -2.034 0.887 -0.508 1.00 5.14 H new ATOM 0 HD22 LEU A 96 -1.046 -0.293 0.386 1.00 5.14 H new ATOM 0 HD23 LEU A 96 -2.796 -0.181 0.694 1.00 5.14 H new ATOM 1471 N GLU A 97 -3.821 1.895 4.427 1.00 41.42 N ATOM 1472 CA GLU A 97 -5.115 2.591 4.469 1.00 11.33 C ATOM 1473 C GLU A 97 -5.163 3.599 5.628 1.00 21.32 C ATOM 1474 O GLU A 97 -5.734 4.685 5.503 1.00 20.21 O ATOM 1475 CB GLU A 97 -6.268 1.582 4.579 1.00 34.34 C ATOM 1476 CG GLU A 97 -6.203 0.680 5.808 1.00 71.12 C ATOM 1477 CD GLU A 97 -7.340 -0.331 5.855 1.00 25.11 C ATOM 1478 OE1 GLU A 97 -8.515 0.090 5.798 1.00 43.53 O ATOM 1479 OE2 GLU A 97 -7.074 -1.547 5.970 1.00 41.11 O ATOM 0 H GLU A 97 -3.871 0.898 4.636 1.00 41.42 H new ATOM 0 HA GLU A 97 -5.230 3.145 3.538 1.00 11.33 H new ATOM 0 HB2 GLU A 97 -7.212 2.128 4.594 1.00 34.34 H new ATOM 0 HB3 GLU A 97 -6.275 0.958 3.685 1.00 34.34 H new ATOM 0 HG2 GLU A 97 -5.251 0.150 5.815 1.00 71.12 H new ATOM 0 HG3 GLU A 97 -6.232 1.295 6.707 1.00 71.12 H new ATOM 1486 N LEU A 98 -4.546 3.234 6.750 1.00 33.44 N ATOM 1487 CA LEU A 98 -4.393 4.145 7.888 1.00 1.02 C ATOM 1488 C LEU A 98 -3.643 5.420 7.465 1.00 65.33 C ATOM 1489 O LEU A 98 -4.087 6.538 7.733 1.00 42.24 O ATOM 1490 CB LEU A 98 -3.636 3.437 9.024 1.00 14.53 C ATOM 1491 CG LEU A 98 -3.352 4.290 10.273 1.00 74.14 C ATOM 1492 CD1 LEU A 98 -4.652 4.781 10.907 1.00 52.02 C ATOM 1493 CD2 LEU A 98 -2.517 3.502 11.284 1.00 72.43 C ATOM 0 H LEU A 98 -4.141 2.310 6.898 1.00 33.44 H new ATOM 0 HA LEU A 98 -5.383 4.431 8.242 1.00 1.02 H new ATOM 0 HB2 LEU A 98 -4.210 2.562 9.328 1.00 14.53 H new ATOM 0 HB3 LEU A 98 -2.686 3.074 8.631 1.00 14.53 H new ATOM 0 HG LEU A 98 -2.779 5.164 9.964 1.00 74.14 H new ATOM 0 HD11 LEU A 98 -4.423 5.381 11.788 1.00 52.02 H new ATOM 0 HD12 LEU A 98 -5.201 5.388 10.187 1.00 52.02 H new ATOM 0 HD13 LEU A 98 -5.260 3.925 11.199 1.00 52.02 H new ATOM 0 HD21 LEU A 98 -2.326 4.122 12.160 1.00 72.43 H new ATOM 0 HD22 LEU A 98 -3.060 2.606 11.584 1.00 72.43 H new ATOM 0 HD23 LEU A 98 -1.569 3.216 10.829 1.00 72.43 H new ATOM 1505 N SER A 99 -2.515 5.235 6.785 1.00 12.22 N ATOM 1506 CA SER A 99 -1.702 6.356 6.298 1.00 74.22 C ATOM 1507 C SER A 99 -2.447 7.186 5.235 1.00 53.22 C ATOM 1508 O SER A 99 -2.298 8.405 5.171 1.00 5.24 O ATOM 1509 CB SER A 99 -0.370 5.846 5.731 1.00 0.52 C ATOM 1510 OG SER A 99 0.366 5.127 6.710 1.00 1.02 O ATOM 0 H SER A 99 -2.138 4.316 6.555 1.00 12.22 H new ATOM 0 HA SER A 99 -1.504 7.008 7.149 1.00 74.22 H new ATOM 0 HB2 SER A 99 -0.560 5.203 4.872 1.00 0.52 H new ATOM 0 HB3 SER A 99 0.222 6.689 5.374 1.00 0.52 H new ATOM 0 HG SER A 99 0.804 4.358 6.290 1.00 1.02 H new ATOM 1516 N LEU A 100 -3.257 6.525 4.409 1.00 21.02 N ATOM 1517 CA LEU A 100 -4.057 7.219 3.386 1.00 64.00 C ATOM 1518 C LEU A 100 -5.128 8.127 4.013 1.00 13.04 C ATOM 1519 O LEU A 100 -5.338 9.259 3.566 1.00 74.43 O ATOM 1520 CB LEU A 100 -4.727 6.203 2.447 1.00 64.53 C ATOM 1521 CG LEU A 100 -3.774 5.437 1.516 1.00 20.12 C ATOM 1522 CD1 LEU A 100 -4.524 4.362 0.740 1.00 41.32 C ATOM 1523 CD2 LEU A 100 -3.071 6.394 0.554 1.00 34.43 C ATOM 0 H LEU A 100 -3.380 5.513 4.423 1.00 21.02 H new ATOM 0 HA LEU A 100 -3.373 7.848 2.815 1.00 64.00 H new ATOM 0 HB2 LEU A 100 -5.275 5.481 3.052 1.00 64.53 H new ATOM 0 HB3 LEU A 100 -5.461 6.728 1.836 1.00 64.53 H new ATOM 0 HG LEU A 100 -3.018 4.952 2.134 1.00 20.12 H new ATOM 0 HD11 LEU A 100 -3.829 3.833 0.088 1.00 41.32 H new ATOM 0 HD12 LEU A 100 -4.975 3.657 1.438 1.00 41.32 H new ATOM 0 HD13 LEU A 100 -5.305 4.826 0.138 1.00 41.32 H new ATOM 0 HD21 LEU A 100 -2.401 5.830 -0.096 1.00 34.43 H new ATOM 0 HD22 LEU A 100 -3.814 6.911 -0.052 1.00 34.43 H new ATOM 0 HD23 LEU A 100 -2.495 7.124 1.123 1.00 34.43 H new ATOM 1535 N GLN A 101 -5.813 7.631 5.045 1.00 22.24 N ATOM 1536 CA GLN A 101 -6.882 8.406 5.690 1.00 12.52 C ATOM 1537 C GLN A 101 -6.323 9.566 6.538 1.00 3.13 C ATOM 1538 O GLN A 101 -6.939 10.630 6.623 1.00 44.43 O ATOM 1539 CB GLN A 101 -7.790 7.498 6.534 1.00 63.01 C ATOM 1540 CG GLN A 101 -7.103 6.835 7.721 1.00 63.41 C ATOM 1541 CD GLN A 101 -8.025 5.895 8.481 1.00 22.51 C ATOM 1542 OE1 GLN A 101 -8.917 5.276 7.907 1.00 71.04 O ATOM 1543 NE2 GLN A 101 -7.821 5.785 9.776 1.00 20.55 N ATOM 0 H GLN A 101 -5.652 6.709 5.450 1.00 22.24 H new ATOM 0 HA GLN A 101 -7.483 8.847 4.895 1.00 12.52 H new ATOM 0 HB2 GLN A 101 -8.630 8.088 6.901 1.00 63.01 H new ATOM 0 HB3 GLN A 101 -8.203 6.721 5.890 1.00 63.01 H new ATOM 0 HG2 GLN A 101 -6.234 6.279 7.369 1.00 63.41 H new ATOM 0 HG3 GLN A 101 -6.736 7.605 8.400 1.00 63.41 H new ATOM 0 HE21 GLN A 101 -7.071 6.314 10.221 1.00 20.55 H new ATOM 0 HE22 GLN A 101 -8.413 5.171 10.335 1.00 20.55 H new ATOM 1552 N GLU A 102 -5.156 9.372 7.157 1.00 74.31 N ATOM 1553 CA GLU A 102 -4.508 10.458 7.909 1.00 3.32 C ATOM 1554 C GLU A 102 -3.856 11.480 6.958 1.00 52.20 C ATOM 1555 O GLU A 102 -3.760 12.663 7.279 1.00 32.51 O ATOM 1556 CB GLU A 102 -3.470 9.909 8.906 1.00 34.13 C ATOM 1557 CG GLU A 102 -2.326 9.141 8.258 1.00 62.41 C ATOM 1558 CD GLU A 102 -1.300 8.631 9.263 1.00 13.33 C ATOM 1559 OE1 GLU A 102 -1.594 7.645 9.977 1.00 24.41 O ATOM 1560 OE2 GLU A 102 -0.198 9.212 9.347 1.00 30.41 O ATOM 0 H GLU A 102 -4.644 8.490 7.156 1.00 74.31 H new ATOM 0 HA GLU A 102 -5.285 10.968 8.478 1.00 3.32 H new ATOM 0 HB2 GLU A 102 -3.057 10.740 9.477 1.00 34.13 H new ATOM 0 HB3 GLU A 102 -3.976 9.255 9.616 1.00 34.13 H new ATOM 0 HG2 GLU A 102 -2.733 8.296 7.703 1.00 62.41 H new ATOM 0 HG3 GLU A 102 -1.827 9.786 7.535 1.00 62.41 H new ATOM 1567 N LEU A 103 -3.427 11.029 5.778 1.00 23.53 N ATOM 1568 CA LEU A 103 -2.838 11.928 4.778 1.00 21.44 C ATOM 1569 C LEU A 103 -3.852 12.963 4.272 1.00 22.52 C ATOM 1570 O LEU A 103 -3.570 14.158 4.233 1.00 15.34 O ATOM 1571 CB LEU A 103 -2.296 11.129 3.584 1.00 4.31 C ATOM 1572 CG LEU A 103 -1.649 11.981 2.478 1.00 5.12 C ATOM 1573 CD1 LEU A 103 -0.416 12.714 3.002 1.00 23.13 C ATOM 1574 CD2 LEU A 103 -1.290 11.128 1.269 1.00 60.44 C ATOM 0 H LEU A 103 -3.475 10.052 5.490 1.00 23.53 H new ATOM 0 HA LEU A 103 -2.021 12.456 5.269 1.00 21.44 H new ATOM 0 HB2 LEU A 103 -1.560 10.412 3.948 1.00 4.31 H new ATOM 0 HB3 LEU A 103 -3.113 10.554 3.149 1.00 4.31 H new ATOM 0 HG LEU A 103 -2.380 12.726 2.163 1.00 5.12 H new ATOM 0 HD11 LEU A 103 0.022 13.309 2.200 1.00 23.13 H new ATOM 0 HD12 LEU A 103 -0.704 13.369 3.824 1.00 23.13 H new ATOM 0 HD13 LEU A 103 0.316 11.988 3.356 1.00 23.13 H new ATOM 0 HD21 LEU A 103 -0.835 11.756 0.503 1.00 60.44 H new ATOM 0 HD22 LEU A 103 -0.586 10.352 1.568 1.00 60.44 H new ATOM 0 HD23 LEU A 103 -2.192 10.665 0.869 1.00 60.44 H new ATOM 1586 N GLN A 104 -5.034 12.495 3.882 1.00 22.51 N ATOM 1587 CA GLN A 104 -6.060 13.371 3.298 1.00 12.33 C ATOM 1588 C GLN A 104 -6.573 14.430 4.295 1.00 61.03 C ATOM 1589 O GLN A 104 -7.185 15.419 3.892 1.00 41.45 O ATOM 1590 CB GLN A 104 -7.222 12.526 2.755 1.00 75.40 C ATOM 1591 CG GLN A 104 -7.888 11.641 3.802 1.00 52.43 C ATOM 1592 CD GLN A 104 -8.826 10.618 3.188 1.00 63.25 C ATOM 1593 OE1 GLN A 104 -10.014 10.863 3.016 1.00 2.31 O ATOM 1594 NE2 GLN A 104 -8.293 9.464 2.843 1.00 0.32 N ATOM 0 H GLN A 104 -5.311 11.516 3.957 1.00 22.51 H new ATOM 0 HA GLN A 104 -5.595 13.917 2.477 1.00 12.33 H new ATOM 0 HB2 GLN A 104 -7.972 13.191 2.326 1.00 75.40 H new ATOM 0 HB3 GLN A 104 -6.853 11.897 1.945 1.00 75.40 H new ATOM 0 HG2 GLN A 104 -7.120 11.125 4.378 1.00 52.43 H new ATOM 0 HG3 GLN A 104 -8.444 12.266 4.500 1.00 52.43 H new ATOM 0 HE21 GLN A 104 -7.300 9.294 3.001 1.00 0.32 H new ATOM 0 HE22 GLN A 104 -8.873 8.741 2.418 1.00 0.32 H new ATOM 1603 N VAL A 105 -6.321 14.227 5.591 1.00 64.40 N ATOM 1604 CA VAL A 105 -6.712 15.211 6.617 1.00 64.25 C ATOM 1605 C VAL A 105 -5.508 16.049 7.097 1.00 61.04 C ATOM 1606 O VAL A 105 -5.626 17.256 7.309 1.00 43.05 O ATOM 1607 CB VAL A 105 -7.398 14.534 7.838 1.00 13.24 C ATOM 1608 CG1 VAL A 105 -8.636 13.759 7.395 1.00 11.42 C ATOM 1609 CG2 VAL A 105 -6.433 13.622 8.591 1.00 62.03 C ATOM 0 H VAL A 105 -5.852 13.399 5.958 1.00 64.40 H new ATOM 0 HA VAL A 105 -7.431 15.877 6.141 1.00 64.25 H new ATOM 0 HB VAL A 105 -7.707 15.323 8.523 1.00 13.24 H new ATOM 0 HG11 VAL A 105 -9.103 13.292 8.262 1.00 11.42 H new ATOM 0 HG12 VAL A 105 -9.344 14.442 6.926 1.00 11.42 H new ATOM 0 HG13 VAL A 105 -8.347 12.989 6.680 1.00 11.42 H new ATOM 0 HG21 VAL A 105 -6.948 13.167 9.437 1.00 62.03 H new ATOM 0 HG22 VAL A 105 -6.074 12.840 7.922 1.00 62.03 H new ATOM 0 HG23 VAL A 105 -5.587 14.207 8.953 1.00 62.03 H new ATOM 1619 N SER A 106 -4.345 15.410 7.251 1.00 0.01 N ATOM 1620 CA SER A 106 -3.125 16.091 7.733 1.00 64.12 C ATOM 1621 C SER A 106 -2.180 16.466 6.579 1.00 73.03 C ATOM 1622 O SER A 106 -1.001 16.741 6.803 1.00 24.14 O ATOM 1623 CB SER A 106 -2.372 15.200 8.739 1.00 33.34 C ATOM 1624 OG SER A 106 -3.151 14.946 9.900 1.00 62.40 O ATOM 0 H SER A 106 -4.216 14.418 7.050 1.00 0.01 H new ATOM 0 HA SER A 106 -3.446 17.010 8.222 1.00 64.12 H new ATOM 0 HB2 SER A 106 -2.109 14.255 8.263 1.00 33.34 H new ATOM 0 HB3 SER A 106 -1.438 15.683 9.026 1.00 33.34 H new ATOM 0 HG SER A 106 -2.644 14.377 10.516 1.00 62.40 H new ATOM 1630 N SER A 107 -2.709 16.486 5.354 1.00 34.35 N ATOM 1631 CA SER A 107 -1.920 16.795 4.144 1.00 61.22 C ATOM 1632 C SER A 107 -1.035 18.043 4.302 1.00 72.51 C ATOM 1633 O SER A 107 0.192 17.938 4.352 1.00 1.43 O ATOM 1634 CB SER A 107 -2.854 16.995 2.940 1.00 73.12 C ATOM 1635 OG SER A 107 -2.135 17.411 1.786 1.00 42.25 O ATOM 0 H SER A 107 -3.692 16.290 5.165 1.00 34.35 H new ATOM 0 HA SER A 107 -1.260 15.942 3.983 1.00 61.22 H new ATOM 0 HB2 SER A 107 -3.379 16.064 2.727 1.00 73.12 H new ATOM 0 HB3 SER A 107 -3.612 17.739 3.186 1.00 73.12 H new ATOM 0 HG SER A 107 -2.757 17.528 1.038 1.00 42.25 H new ATOM 1641 N ALA A 108 -1.667 19.224 4.354 1.00 3.05 N ATOM 1642 CA ALA A 108 -0.942 20.505 4.444 1.00 53.51 C ATOM 1643 C ALA A 108 0.045 20.698 3.273 1.00 72.23 C ATOM 1644 O ALA A 108 0.933 21.548 3.326 1.00 3.21 O ATOM 1645 CB ALA A 108 -0.219 20.607 5.788 1.00 72.23 C ATOM 0 H ALA A 108 -2.682 19.321 4.335 1.00 3.05 H new ATOM 0 HA ALA A 108 -1.677 21.307 4.374 1.00 53.51 H new ATOM 0 HB1 ALA A 108 0.313 21.557 5.844 1.00 72.23 H new ATOM 0 HB2 ALA A 108 -0.947 20.551 6.598 1.00 72.23 H new ATOM 0 HB3 ALA A 108 0.492 19.787 5.882 1.00 72.23 H new ATOM 1651 N ALA A 109 -0.134 19.919 2.203 1.00 14.22 N ATOM 1652 CA ALA A 109 0.771 19.960 1.052 1.00 23.42 C ATOM 1653 C ALA A 109 0.023 20.226 -0.263 1.00 41.53 C ATOM 1654 O ALA A 109 -0.795 19.414 -0.699 1.00 74.01 O ATOM 1655 CB ALA A 109 1.545 18.651 0.954 1.00 21.51 C ATOM 0 H ALA A 109 -0.899 19.251 2.110 1.00 14.22 H new ATOM 0 HA ALA A 109 1.463 20.788 1.208 1.00 23.42 H new ATOM 0 HB1 ALA A 109 2.216 18.688 0.096 1.00 21.51 H new ATOM 0 HB2 ALA A 109 2.127 18.504 1.864 1.00 21.51 H new ATOM 0 HB3 ALA A 109 0.846 17.823 0.832 1.00 21.51 H new ATOM 1661 N ALA A 110 0.321 21.357 -0.899 1.00 72.53 N ATOM 1662 CA ALA A 110 -0.258 21.696 -2.207 1.00 74.31 C ATOM 1663 C ALA A 110 0.553 21.065 -3.356 1.00 41.13 C ATOM 1664 O ALA A 110 0.662 21.633 -4.444 1.00 33.42 O ATOM 1665 CB ALA A 110 -0.322 23.212 -2.362 1.00 74.54 C ATOM 0 H ALA A 110 0.962 22.060 -0.532 1.00 72.53 H new ATOM 0 HA ALA A 110 -1.268 21.289 -2.256 1.00 74.31 H new ATOM 0 HB1 ALA A 110 -0.752 23.461 -3.332 1.00 74.54 H new ATOM 0 HB2 ALA A 110 -0.943 23.633 -1.571 1.00 74.54 H new ATOM 0 HB3 ALA A 110 0.683 23.628 -2.293 1.00 74.54 H new ATOM 1671 N GLY A 111 1.093 19.871 -3.110 1.00 73.24 N ATOM 1672 CA GLY A 111 1.944 19.202 -4.093 1.00 30.33 C ATOM 1673 C GLY A 111 3.435 19.335 -3.781 1.00 74.23 C ATOM 1674 O GLY A 111 4.237 19.647 -4.659 1.00 62.22 O ATOM 0 H GLY A 111 0.957 19.350 -2.244 1.00 73.24 H new ATOM 0 HA2 GLY A 111 1.680 18.145 -4.135 1.00 30.33 H new ATOM 0 HA3 GLY A 111 1.746 19.619 -5.080 1.00 30.33 H new ATOM 1678 N VAL A 112 3.808 19.091 -2.526 1.00 13.20 N ATOM 1679 CA VAL A 112 5.207 19.205 -2.091 1.00 3.43 C ATOM 1680 C VAL A 112 5.789 17.824 -1.719 1.00 13.12 C ATOM 1681 O VAL A 112 5.233 17.119 -0.873 1.00 0.14 O ATOM 1682 CB VAL A 112 5.338 20.162 -0.878 1.00 44.23 C ATOM 1683 CG1 VAL A 112 6.806 20.378 -0.505 1.00 34.40 C ATOM 1684 CG2 VAL A 112 4.646 21.495 -1.164 1.00 60.54 C ATOM 0 H VAL A 112 3.162 18.812 -1.788 1.00 13.20 H new ATOM 0 HA VAL A 112 5.772 19.614 -2.929 1.00 3.43 H new ATOM 0 HB VAL A 112 4.842 19.697 -0.026 1.00 44.23 H new ATOM 0 HG11 VAL A 112 6.869 21.053 0.349 1.00 34.40 H new ATOM 0 HG12 VAL A 112 7.260 19.422 -0.246 1.00 34.40 H new ATOM 0 HG13 VAL A 112 7.336 20.813 -1.352 1.00 34.40 H new ATOM 0 HG21 VAL A 112 4.750 22.152 -0.300 1.00 60.54 H new ATOM 0 HG22 VAL A 112 5.106 21.964 -2.034 1.00 60.54 H new ATOM 0 HG23 VAL A 112 3.588 21.321 -1.362 1.00 60.54 H new ATOM 1694 N PRO A 113 6.922 17.426 -2.334 1.00 2.12 N ATOM 1695 CA PRO A 113 7.517 16.088 -2.123 1.00 50.04 C ATOM 1696 C PRO A 113 8.095 15.876 -0.707 1.00 72.13 C ATOM 1697 O PRO A 113 8.876 16.691 -0.213 1.00 51.33 O ATOM 1698 CB PRO A 113 8.635 16.034 -3.175 1.00 43.34 C ATOM 1699 CG PRO A 113 8.999 17.461 -3.416 1.00 42.30 C ATOM 1700 CD PRO A 113 7.717 18.240 -3.279 1.00 41.22 C ATOM 0 HA PRO A 113 6.767 15.303 -2.219 1.00 50.04 H new ATOM 0 HB2 PRO A 113 9.490 15.463 -2.814 1.00 43.34 H new ATOM 0 HB3 PRO A 113 8.293 15.552 -4.091 1.00 43.34 H new ATOM 0 HG2 PRO A 113 9.743 17.802 -2.696 1.00 42.30 H new ATOM 0 HG3 PRO A 113 9.432 17.592 -4.408 1.00 42.30 H new ATOM 0 HD2 PRO A 113 7.896 19.244 -2.893 1.00 41.22 H new ATOM 0 HD3 PRO A 113 7.210 18.352 -4.238 1.00 41.22 H new ATOM 1708 N GLY A 114 7.692 14.775 -0.063 1.00 21.52 N ATOM 1709 CA GLY A 114 8.245 14.390 1.240 1.00 21.23 C ATOM 1710 C GLY A 114 8.158 15.470 2.325 1.00 71.31 C ATOM 1711 O GLY A 114 8.971 15.487 3.250 1.00 44.22 O ATOM 0 H GLY A 114 6.985 14.135 -0.423 1.00 21.52 H new ATOM 0 HA2 GLY A 114 7.722 13.500 1.591 1.00 21.23 H new ATOM 0 HA3 GLY A 114 9.291 14.113 1.107 1.00 21.23 H new ATOM 1715 N THR A 115 7.172 16.361 2.231 1.00 0.04 N ATOM 1716 CA THR A 115 7.037 17.461 3.206 1.00 34.23 C ATOM 1717 C THR A 115 6.499 16.986 4.570 1.00 74.12 C ATOM 1718 O THR A 115 7.094 17.271 5.610 1.00 31.02 O ATOM 1719 CB THR A 115 6.136 18.605 2.673 1.00 1.21 C ATOM 1720 OG1 THR A 115 5.987 19.624 3.671 1.00 74.33 O ATOM 1721 CG2 THR A 115 4.761 18.091 2.257 1.00 3.22 C ATOM 0 H THR A 115 6.459 16.351 1.502 1.00 0.04 H new ATOM 0 HA THR A 115 8.048 17.842 3.350 1.00 34.23 H new ATOM 0 HB THR A 115 6.623 19.023 1.792 1.00 1.21 H new ATOM 0 HG1 THR A 115 5.418 20.342 3.323 1.00 74.33 H new ATOM 0 HG21 THR A 115 4.158 18.921 1.889 1.00 3.22 H new ATOM 0 HG22 THR A 115 4.874 17.347 1.468 1.00 3.22 H new ATOM 0 HG23 THR A 115 4.267 17.637 3.116 1.00 3.22 H new ATOM 1729 N ASN A 116 5.379 16.259 4.571 1.00 62.04 N ATOM 1730 CA ASN A 116 4.770 15.791 5.825 1.00 62.33 C ATOM 1731 C ASN A 116 5.210 14.354 6.168 1.00 21.11 C ATOM 1732 O ASN A 116 5.504 13.553 5.276 1.00 53.41 O ATOM 1733 CB ASN A 116 3.234 15.868 5.748 1.00 10.25 C ATOM 1734 CG ASN A 116 2.666 15.058 4.599 1.00 32.41 C ATOM 1735 OD1 ASN A 116 2.491 13.851 4.707 1.00 51.11 O ATOM 1736 ND2 ASN A 116 2.345 15.718 3.504 1.00 22.10 N ATOM 0 H ASN A 116 4.877 15.982 3.727 1.00 62.04 H new ATOM 0 HA ASN A 116 5.118 16.450 6.620 1.00 62.33 H new ATOM 0 HB2 ASN A 116 2.809 15.510 6.685 1.00 10.25 H new ATOM 0 HB3 ASN A 116 2.931 16.909 5.638 1.00 10.25 H new ATOM 0 HD21 ASN A 116 1.937 15.223 2.711 1.00 22.10 H new ATOM 0 HD22 ASN A 116 2.505 16.724 3.449 1.00 22.10 H new ATOM 1743 N PRO A 117 5.244 14.001 7.470 1.00 33.04 N ATOM 1744 CA PRO A 117 5.658 12.657 7.920 1.00 3.34 C ATOM 1745 C PRO A 117 4.720 11.540 7.428 1.00 32.11 C ATOM 1746 O PRO A 117 5.111 10.373 7.358 1.00 33.24 O ATOM 1747 CB PRO A 117 5.612 12.762 9.451 1.00 12.33 C ATOM 1748 CG PRO A 117 4.676 13.890 9.726 1.00 70.31 C ATOM 1749 CD PRO A 117 4.889 14.873 8.610 1.00 42.25 C ATOM 0 HA PRO A 117 6.637 12.388 7.523 1.00 3.34 H new ATOM 0 HB2 PRO A 117 5.257 11.835 9.901 1.00 12.33 H new ATOM 0 HB3 PRO A 117 6.601 12.959 9.864 1.00 12.33 H new ATOM 0 HG2 PRO A 117 3.643 13.544 9.752 1.00 70.31 H new ATOM 0 HG3 PRO A 117 4.884 14.345 10.694 1.00 70.31 H new ATOM 0 HD2 PRO A 117 3.991 15.457 8.408 1.00 42.25 H new ATOM 0 HD3 PRO A 117 5.685 15.581 8.841 1.00 42.25 H new ATOM 1757 N VAL A 118 3.488 11.901 7.079 1.00 43.31 N ATOM 1758 CA VAL A 118 2.513 10.921 6.591 1.00 43.21 C ATOM 1759 C VAL A 118 2.952 10.328 5.243 1.00 45.35 C ATOM 1760 O VAL A 118 2.712 9.153 4.960 1.00 51.00 O ATOM 1761 CB VAL A 118 1.104 11.537 6.453 1.00 73.13 C ATOM 1762 CG1 VAL A 118 0.093 10.471 6.046 1.00 41.30 C ATOM 1763 CG2 VAL A 118 0.682 12.218 7.755 1.00 30.20 C ATOM 0 H VAL A 118 3.139 12.859 7.123 1.00 43.31 H new ATOM 0 HA VAL A 118 2.468 10.123 7.333 1.00 43.21 H new ATOM 0 HB VAL A 118 1.135 12.295 5.670 1.00 73.13 H new ATOM 0 HG11 VAL A 118 -0.895 10.923 5.953 1.00 41.30 H new ATOM 0 HG12 VAL A 118 0.385 10.039 5.089 1.00 41.30 H new ATOM 0 HG13 VAL A 118 0.064 9.688 6.804 1.00 41.30 H new ATOM 0 HG21 VAL A 118 -0.314 12.645 7.636 1.00 30.20 H new ATOM 0 HG22 VAL A 118 0.668 11.485 8.561 1.00 30.20 H new ATOM 0 HG23 VAL A 118 1.390 13.010 7.997 1.00 30.20 H new ATOM 1773 N LEU A 119 3.608 11.144 4.416 1.00 43.32 N ATOM 1774 CA LEU A 119 4.208 10.656 3.168 1.00 41.45 C ATOM 1775 C LEU A 119 5.268 9.582 3.467 1.00 24.13 C ATOM 1776 O LEU A 119 5.419 8.614 2.723 1.00 63.32 O ATOM 1777 CB LEU A 119 4.834 11.819 2.382 1.00 4.21 C ATOM 1778 CG LEU A 119 3.850 12.917 1.946 1.00 54.33 C ATOM 1779 CD1 LEU A 119 4.581 14.042 1.217 1.00 44.12 C ATOM 1780 CD2 LEU A 119 2.736 12.337 1.074 1.00 72.30 C ATOM 0 H LEU A 119 3.738 12.142 4.585 1.00 43.32 H new ATOM 0 HA LEU A 119 3.422 10.209 2.559 1.00 41.45 H new ATOM 0 HB2 LEU A 119 5.613 12.273 2.995 1.00 4.21 H new ATOM 0 HB3 LEU A 119 5.321 11.416 1.494 1.00 4.21 H new ATOM 0 HG LEU A 119 3.392 13.335 2.842 1.00 54.33 H new ATOM 0 HD11 LEU A 119 3.865 14.807 0.918 1.00 44.12 H new ATOM 0 HD12 LEU A 119 5.326 14.481 1.880 1.00 44.12 H new ATOM 0 HD13 LEU A 119 5.075 13.641 0.332 1.00 44.12 H new ATOM 0 HD21 LEU A 119 2.053 13.134 0.779 1.00 72.30 H new ATOM 0 HD22 LEU A 119 3.170 11.883 0.184 1.00 72.30 H new ATOM 0 HD23 LEU A 119 2.189 11.581 1.637 1.00 72.30 H new ATOM 1792 N ASN A 120 5.991 9.760 4.577 1.00 53.52 N ATOM 1793 CA ASN A 120 6.961 8.759 5.041 1.00 62.30 C ATOM 1794 C ASN A 120 6.240 7.494 5.536 1.00 75.43 C ATOM 1795 O ASN A 120 6.681 6.374 5.272 1.00 75.22 O ATOM 1796 CB ASN A 120 7.838 9.344 6.156 1.00 52.31 C ATOM 1797 CG ASN A 120 8.630 10.562 5.704 1.00 33.44 C ATOM 1798 OD1 ASN A 120 8.858 11.486 6.474 1.00 0.53 O ATOM 1799 ND2 ASN A 120 9.075 10.568 4.463 1.00 72.31 N ATOM 0 H ASN A 120 5.924 10.586 5.171 1.00 53.52 H new ATOM 0 HA ASN A 120 7.600 8.484 4.202 1.00 62.30 H new ATOM 0 HB2 ASN A 120 7.208 9.619 7.001 1.00 52.31 H new ATOM 0 HB3 ASN A 120 8.528 8.578 6.509 1.00 52.31 H new ATOM 0 HD21 ASN A 120 9.625 11.357 4.122 1.00 72.31 H new ATOM 0 HD22 ASN A 120 8.869 9.784 3.844 1.00 72.31 H new ATOM 1806 N ASN A 121 5.123 7.682 6.249 1.00 43.31 N ATOM 1807 CA ASN A 121 4.278 6.555 6.676 1.00 11.34 C ATOM 1808 C ASN A 121 3.830 5.726 5.460 1.00 11.31 C ATOM 1809 O ASN A 121 3.968 4.501 5.444 1.00 72.44 O ATOM 1810 CB ASN A 121 3.049 7.054 7.461 1.00 62.13 C ATOM 1811 CG ASN A 121 3.422 7.755 8.756 1.00 5.13 C ATOM 1812 OD1 ASN A 121 4.452 7.470 9.359 1.00 63.45 O ATOM 1813 ND2 ASN A 121 2.575 8.655 9.218 1.00 63.44 N ATOM 0 H ASN A 121 4.783 8.598 6.542 1.00 43.31 H new ATOM 0 HA ASN A 121 4.871 5.920 7.334 1.00 11.34 H new ATOM 0 HB2 ASN A 121 2.477 7.738 6.835 1.00 62.13 H new ATOM 0 HB3 ASN A 121 2.399 6.208 7.685 1.00 62.13 H new ATOM 0 HD21 ASN A 121 2.769 9.134 10.098 1.00 63.44 H new ATOM 0 HD22 ASN A 121 1.726 8.872 8.696 1.00 63.44 H new ATOM 1820 N LEU A 122 3.308 6.407 4.435 1.00 3.21 N ATOM 1821 CA LEU A 122 2.934 5.750 3.176 1.00 34.54 C ATOM 1822 C LEU A 122 4.138 5.063 2.522 1.00 31.22 C ATOM 1823 O LEU A 122 4.035 3.926 2.077 1.00 71.42 O ATOM 1824 CB LEU A 122 2.311 6.754 2.191 1.00 5.41 C ATOM 1825 CG LEU A 122 0.826 7.064 2.418 1.00 12.42 C ATOM 1826 CD1 LEU A 122 0.322 8.065 1.387 1.00 24.24 C ATOM 1827 CD2 LEU A 122 0.000 5.781 2.366 1.00 23.12 C ATOM 0 H LEU A 122 3.135 7.412 4.451 1.00 3.21 H new ATOM 0 HA LEU A 122 2.193 4.989 3.421 1.00 34.54 H new ATOM 0 HB2 LEU A 122 2.872 7.687 2.246 1.00 5.41 H new ATOM 0 HB3 LEU A 122 2.433 6.368 1.179 1.00 5.41 H new ATOM 0 HG LEU A 122 0.715 7.508 3.407 1.00 12.42 H new ATOM 0 HD11 LEU A 122 -0.733 8.271 1.566 1.00 24.24 H new ATOM 0 HD12 LEU A 122 0.892 8.991 1.470 1.00 24.24 H new ATOM 0 HD13 LEU A 122 0.446 7.651 0.387 1.00 24.24 H new ATOM 0 HD21 LEU A 122 -1.051 6.018 2.529 1.00 23.12 H new ATOM 0 HD22 LEU A 122 0.119 5.311 1.390 1.00 23.12 H new ATOM 0 HD23 LEU A 122 0.342 5.096 3.142 1.00 23.12 H new ATOM 1839 N LEU A 123 5.274 5.756 2.465 1.00 30.41 N ATOM 1840 CA LEU A 123 6.497 5.184 1.886 1.00 52.44 C ATOM 1841 C LEU A 123 6.843 3.847 2.560 1.00 74.05 C ATOM 1842 O LEU A 123 7.073 2.840 1.890 1.00 14.54 O ATOM 1843 CB LEU A 123 7.664 6.172 2.021 1.00 70.44 C ATOM 1844 CG LEU A 123 8.971 5.752 1.322 1.00 24.21 C ATOM 1845 CD1 LEU A 123 8.753 5.575 -0.181 1.00 12.14 C ATOM 1846 CD2 LEU A 123 10.077 6.771 1.595 1.00 24.34 C ATOM 0 H LEU A 123 5.377 6.710 2.810 1.00 30.41 H new ATOM 0 HA LEU A 123 6.321 4.996 0.827 1.00 52.44 H new ATOM 0 HB2 LEU A 123 7.350 7.135 1.619 1.00 70.44 H new ATOM 0 HB3 LEU A 123 7.871 6.321 3.081 1.00 70.44 H new ATOM 0 HG LEU A 123 9.283 4.791 1.731 1.00 24.21 H new ATOM 0 HD11 LEU A 123 9.690 5.278 -0.652 1.00 12.14 H new ATOM 0 HD12 LEU A 123 8.001 4.804 -0.351 1.00 12.14 H new ATOM 0 HD13 LEU A 123 8.412 6.516 -0.612 1.00 12.14 H new ATOM 0 HD21 LEU A 123 10.992 6.458 1.093 1.00 24.34 H new ATOM 0 HD22 LEU A 123 9.773 7.748 1.218 1.00 24.34 H new ATOM 0 HD23 LEU A 123 10.255 6.836 2.668 1.00 24.34 H new ATOM 1858 N SER A 124 6.850 3.843 3.893 1.00 45.34 N ATOM 1859 CA SER A 124 7.092 2.618 4.669 1.00 24.12 C ATOM 1860 C SER A 124 6.044 1.540 4.354 1.00 70.35 C ATOM 1861 O SER A 124 6.383 0.377 4.137 1.00 70.15 O ATOM 1862 CB SER A 124 7.080 2.921 6.175 1.00 41.24 C ATOM 1863 OG SER A 124 7.285 1.744 6.945 1.00 4.11 O ATOM 0 H SER A 124 6.691 4.674 4.463 1.00 45.34 H new ATOM 0 HA SER A 124 8.074 2.240 4.385 1.00 24.12 H new ATOM 0 HB2 SER A 124 7.858 3.649 6.407 1.00 41.24 H new ATOM 0 HB3 SER A 124 6.127 3.374 6.448 1.00 41.24 H new ATOM 0 HG SER A 124 7.273 1.971 7.898 1.00 4.11 H new ATOM 1869 N CYS A 125 4.773 1.942 4.313 1.00 52.33 N ATOM 1870 CA CYS A 125 3.663 1.010 4.052 1.00 75.22 C ATOM 1871 C CYS A 125 3.772 0.361 2.662 1.00 60.01 C ATOM 1872 O CYS A 125 3.668 -0.858 2.523 1.00 31.11 O ATOM 1873 CB CYS A 125 2.320 1.736 4.172 1.00 20.44 C ATOM 1874 SG CYS A 125 1.988 2.423 5.812 1.00 4.52 S ATOM 0 H CYS A 125 4.481 2.909 4.457 1.00 52.33 H new ATOM 0 HA CYS A 125 3.723 0.220 4.800 1.00 75.22 H new ATOM 0 HB2 CYS A 125 2.290 2.543 3.440 1.00 20.44 H new ATOM 0 HB3 CYS A 125 1.521 1.042 3.913 1.00 20.44 H new ATOM 0 HG CYS A 125 2.694 3.501 5.982 1.00 4.52 H new ATOM 1880 N VAL A 126 3.978 1.185 1.637 1.00 23.05 N ATOM 1881 CA VAL A 126 4.104 0.705 0.255 1.00 61.32 C ATOM 1882 C VAL A 126 5.288 -0.264 0.101 1.00 11.10 C ATOM 1883 O VAL A 126 5.135 -1.379 -0.410 1.00 2.22 O ATOM 1884 CB VAL A 126 4.282 1.886 -0.732 1.00 12.13 C ATOM 1885 CG1 VAL A 126 4.502 1.386 -2.159 1.00 74.23 C ATOM 1886 CG2 VAL A 126 3.080 2.827 -0.665 1.00 1.45 C ATOM 0 H VAL A 126 4.062 2.197 1.735 1.00 23.05 H new ATOM 0 HA VAL A 126 3.181 0.175 0.019 1.00 61.32 H new ATOM 0 HB VAL A 126 5.171 2.442 -0.435 1.00 12.13 H new ATOM 0 HG11 VAL A 126 4.624 2.238 -2.828 1.00 74.23 H new ATOM 0 HG12 VAL A 126 5.398 0.767 -2.193 1.00 74.23 H new ATOM 0 HG13 VAL A 126 3.641 0.796 -2.475 1.00 74.23 H new ATOM 0 HG21 VAL A 126 3.223 3.650 -1.365 1.00 1.45 H new ATOM 0 HG22 VAL A 126 2.175 2.280 -0.928 1.00 1.45 H new ATOM 0 HG23 VAL A 126 2.984 3.223 0.346 1.00 1.45 H new ATOM 1896 N GLN A 127 6.466 0.169 0.549 1.00 25.43 N ATOM 1897 CA GLN A 127 7.664 -0.672 0.514 1.00 25.54 C ATOM 1898 C GLN A 127 7.440 -1.971 1.306 1.00 14.13 C ATOM 1899 O GLN A 127 7.834 -3.053 0.871 1.00 13.30 O ATOM 1900 CB GLN A 127 8.865 0.102 1.079 1.00 63.42 C ATOM 1901 CG GLN A 127 9.194 1.372 0.297 1.00 55.21 C ATOM 1902 CD GLN A 127 10.323 2.181 0.916 1.00 2.55 C ATOM 1903 OE1 GLN A 127 10.531 2.164 2.126 1.00 44.53 O ATOM 1904 NE2 GLN A 127 11.052 2.908 0.095 1.00 51.11 N ATOM 0 H GLN A 127 6.617 1.098 0.941 1.00 25.43 H new ATOM 0 HA GLN A 127 7.872 -0.939 -0.522 1.00 25.54 H new ATOM 0 HB2 GLN A 127 8.661 0.366 2.117 1.00 63.42 H new ATOM 0 HB3 GLN A 127 9.739 -0.550 1.082 1.00 63.42 H new ATOM 0 HG2 GLN A 127 9.466 1.102 -0.723 1.00 55.21 H new ATOM 0 HG3 GLN A 127 8.301 1.994 0.235 1.00 55.21 H new ATOM 0 HE21 GLN A 127 10.854 2.901 -0.906 1.00 51.11 H new ATOM 0 HE22 GLN A 127 11.815 3.479 0.460 1.00 51.11 H new ATOM 1913 N GLU A 128 6.778 -1.848 2.455 1.00 70.21 N ATOM 1914 CA GLU A 128 6.431 -3.001 3.292 1.00 63.33 C ATOM 1915 C GLU A 128 5.604 -4.033 2.510 1.00 73.34 C ATOM 1916 O GLU A 128 5.973 -5.204 2.422 1.00 45.10 O ATOM 1917 CB GLU A 128 5.640 -2.520 4.518 1.00 2.34 C ATOM 1918 CG GLU A 128 5.321 -3.606 5.538 1.00 33.15 C ATOM 1919 CD GLU A 128 6.567 -4.220 6.150 1.00 61.10 C ATOM 1920 OE1 GLU A 128 7.321 -3.492 6.830 1.00 71.20 O ATOM 1921 OE2 GLU A 128 6.795 -5.430 5.962 1.00 70.31 O ATOM 0 H GLU A 128 6.467 -0.953 2.833 1.00 70.21 H new ATOM 0 HA GLU A 128 7.354 -3.485 3.611 1.00 63.33 H new ATOM 0 HB2 GLU A 128 6.207 -1.732 5.013 1.00 2.34 H new ATOM 0 HB3 GLU A 128 4.705 -2.074 4.178 1.00 2.34 H new ATOM 0 HG2 GLU A 128 4.702 -3.184 6.330 1.00 33.15 H new ATOM 0 HG3 GLU A 128 4.734 -4.389 5.058 1.00 33.15 H new ATOM 1928 N ILE A 129 4.498 -3.581 1.923 1.00 41.32 N ATOM 1929 CA ILE A 129 3.613 -4.453 1.141 1.00 13.33 C ATOM 1930 C ILE A 129 4.364 -5.132 -0.016 1.00 13.51 C ATOM 1931 O ILE A 129 4.328 -6.356 -0.157 1.00 32.24 O ATOM 1932 CB ILE A 129 2.408 -3.656 0.576 1.00 33.54 C ATOM 1933 CG1 ILE A 129 1.541 -3.119 1.728 1.00 30.40 C ATOM 1934 CG2 ILE A 129 1.573 -4.517 -0.375 1.00 53.31 C ATOM 1935 CD1 ILE A 129 0.356 -2.293 1.275 1.00 72.51 C ATOM 0 H ILE A 129 4.189 -2.610 1.973 1.00 41.32 H new ATOM 0 HA ILE A 129 3.248 -5.225 1.818 1.00 13.33 H new ATOM 0 HB ILE A 129 2.794 -2.811 0.005 1.00 33.54 H new ATOM 0 HG12 ILE A 129 1.179 -3.960 2.319 1.00 30.40 H new ATOM 0 HG13 ILE A 129 2.164 -2.512 2.385 1.00 30.40 H new ATOM 0 HG21 ILE A 129 0.736 -3.932 -0.755 1.00 53.31 H new ATOM 0 HG22 ILE A 129 2.194 -4.846 -1.208 1.00 53.31 H new ATOM 0 HG23 ILE A 129 1.194 -5.387 0.160 1.00 53.31 H new ATOM 0 HD11 ILE A 129 -0.204 -1.952 2.146 1.00 72.51 H new ATOM 0 HD12 ILE A 129 0.709 -1.430 0.710 1.00 72.51 H new ATOM 0 HD13 ILE A 129 -0.291 -2.901 0.643 1.00 72.51 H new ATOM 1947 N SER A 130 5.049 -4.333 -0.836 1.00 72.42 N ATOM 1948 CA SER A 130 5.818 -4.866 -1.974 1.00 33.41 C ATOM 1949 C SER A 130 6.857 -5.901 -1.517 1.00 32.31 C ATOM 1950 O SER A 130 7.052 -6.927 -2.166 1.00 23.52 O ATOM 1951 CB SER A 130 6.512 -3.733 -2.751 1.00 4.10 C ATOM 1952 OG SER A 130 7.475 -3.053 -1.955 1.00 63.42 O ATOM 0 H SER A 130 5.090 -3.319 -0.739 1.00 72.42 H new ATOM 0 HA SER A 130 5.109 -5.363 -2.636 1.00 33.41 H new ATOM 0 HB2 SER A 130 6.998 -4.145 -3.635 1.00 4.10 H new ATOM 0 HB3 SER A 130 5.764 -3.022 -3.101 1.00 4.10 H new ATOM 0 HG SER A 130 7.268 -3.186 -1.006 1.00 63.42 H new ATOM 1958 N ASP A 131 7.507 -5.626 -0.388 1.00 71.24 N ATOM 1959 CA ASP A 131 8.509 -6.531 0.186 1.00 75.15 C ATOM 1960 C ASP A 131 7.889 -7.879 0.590 1.00 73.25 C ATOM 1961 O ASP A 131 8.364 -8.939 0.182 1.00 52.35 O ATOM 1962 CB ASP A 131 9.163 -5.860 1.398 1.00 23.40 C ATOM 1963 CG ASP A 131 10.132 -6.770 2.133 1.00 62.32 C ATOM 1964 OD1 ASP A 131 11.308 -6.853 1.718 1.00 33.20 O ATOM 1965 OD2 ASP A 131 9.727 -7.399 3.131 1.00 23.12 O ATOM 0 H ASP A 131 7.358 -4.775 0.155 1.00 71.24 H new ATOM 0 HA ASP A 131 9.264 -6.735 -0.573 1.00 75.15 H new ATOM 0 HB2 ASP A 131 9.692 -4.966 1.069 1.00 23.40 H new ATOM 0 HB3 ASP A 131 8.385 -5.534 2.089 1.00 23.40 H new ATOM 1970 N VAL A 132 6.820 -7.823 1.386 1.00 4.20 N ATOM 1971 CA VAL A 132 6.139 -9.030 1.876 1.00 62.13 C ATOM 1972 C VAL A 132 5.770 -9.995 0.731 1.00 2.33 C ATOM 1973 O VAL A 132 5.822 -11.217 0.890 1.00 3.34 O ATOM 1974 CB VAL A 132 4.864 -8.660 2.676 1.00 32.41 C ATOM 1975 CG1 VAL A 132 4.110 -9.909 3.112 1.00 31.53 C ATOM 1976 CG2 VAL A 132 5.217 -7.799 3.888 1.00 64.45 C ATOM 0 H VAL A 132 6.402 -6.950 1.709 1.00 4.20 H new ATOM 0 HA VAL A 132 6.843 -9.540 2.534 1.00 62.13 H new ATOM 0 HB VAL A 132 4.213 -8.083 2.019 1.00 32.41 H new ATOM 0 HG11 VAL A 132 3.220 -9.620 3.671 1.00 31.53 H new ATOM 0 HG12 VAL A 132 3.816 -10.482 2.233 1.00 31.53 H new ATOM 0 HG13 VAL A 132 4.754 -10.520 3.745 1.00 31.53 H new ATOM 0 HG21 VAL A 132 4.308 -7.551 4.435 1.00 64.45 H new ATOM 0 HG22 VAL A 132 5.894 -8.350 4.541 1.00 64.45 H new ATOM 0 HG23 VAL A 132 5.701 -6.881 3.554 1.00 64.45 H new ATOM 1986 N VAL A 133 5.409 -9.440 -0.425 1.00 22.03 N ATOM 1987 CA VAL A 133 5.069 -10.253 -1.603 1.00 71.32 C ATOM 1988 C VAL A 133 6.317 -10.923 -2.214 1.00 11.32 C ATOM 1989 O VAL A 133 6.256 -12.053 -2.702 1.00 31.34 O ATOM 1990 CB VAL A 133 4.369 -9.400 -2.694 1.00 75.33 C ATOM 1991 CG1 VAL A 133 3.953 -10.263 -3.885 1.00 72.21 C ATOM 1992 CG2 VAL A 133 3.161 -8.665 -2.116 1.00 14.44 C ATOM 0 H VAL A 133 5.343 -8.433 -0.576 1.00 22.03 H new ATOM 0 HA VAL A 133 4.385 -11.028 -1.257 1.00 71.32 H new ATOM 0 HB VAL A 133 5.085 -8.659 -3.048 1.00 75.33 H new ATOM 0 HG11 VAL A 133 3.465 -9.639 -4.634 1.00 72.21 H new ATOM 0 HG12 VAL A 133 4.836 -10.730 -4.322 1.00 72.21 H new ATOM 0 HG13 VAL A 133 3.261 -11.036 -3.550 1.00 72.21 H new ATOM 0 HG21 VAL A 133 2.686 -8.074 -2.899 1.00 14.44 H new ATOM 0 HG22 VAL A 133 2.447 -9.390 -1.725 1.00 14.44 H new ATOM 0 HG23 VAL A 133 3.487 -8.006 -1.311 1.00 14.44 H new ATOM 2002 N GLN A 134 7.451 -10.225 -2.171 1.00 32.22 N ATOM 2003 CA GLN A 134 8.689 -10.704 -2.803 1.00 33.23 C ATOM 2004 C GLN A 134 9.340 -11.866 -2.029 1.00 2.14 C ATOM 2005 O GLN A 134 10.056 -12.680 -2.616 1.00 64.10 O ATOM 2006 CB GLN A 134 9.698 -9.553 -2.934 1.00 64.43 C ATOM 2007 CG GLN A 134 9.196 -8.383 -3.773 1.00 42.23 C ATOM 2008 CD GLN A 134 10.232 -7.283 -3.945 1.00 21.42 C ATOM 2009 OE1 GLN A 134 11.434 -7.533 -3.944 1.00 32.13 O ATOM 2010 NE2 GLN A 134 9.778 -6.056 -4.096 1.00 63.41 N ATOM 0 H GLN A 134 7.542 -9.323 -1.705 1.00 32.22 H new ATOM 0 HA GLN A 134 8.413 -11.077 -3.789 1.00 33.23 H new ATOM 0 HB2 GLN A 134 9.952 -9.190 -1.938 1.00 64.43 H new ATOM 0 HB3 GLN A 134 10.617 -9.937 -3.377 1.00 64.43 H new ATOM 0 HG2 GLN A 134 8.898 -8.750 -4.755 1.00 42.23 H new ATOM 0 HG3 GLN A 134 8.305 -7.964 -3.305 1.00 42.23 H new ATOM 0 HE21 GLN A 134 8.773 -5.880 -4.092 1.00 63.41 H new ATOM 0 HE22 GLN A 134 10.431 -5.282 -4.217 1.00 63.41 H new ATOM 2019 N ARG A 135 9.091 -11.937 -0.720 1.00 21.34 N ATOM 2020 CA ARG A 135 9.763 -12.926 0.147 1.00 52.52 C ATOM 2021 C ARG A 135 9.321 -14.379 -0.158 1.00 2.03 C ATOM 2022 O ARG A 135 8.379 -14.879 0.493 1.00 38.37 O ATOM 2023 CB ARG A 135 9.505 -12.600 1.628 1.00 64.02 C ATOM 2024 CG ARG A 135 9.685 -11.126 1.981 1.00 25.34 C ATOM 2025 CD ARG A 135 9.689 -10.897 3.489 1.00 52.23 C ATOM 2026 NE ARG A 135 8.630 -11.639 4.178 1.00 24.20 N ATOM 2027 CZ ARG A 135 7.965 -11.186 5.203 1.00 62.21 C ATOM 2028 NH1 ARG A 135 8.169 -9.987 5.650 1.00 64.01 N ATOM 2029 NH2 ARG A 135 7.096 -11.944 5.784 1.00 14.32 N ATOM 2030 OXT ARG A 135 9.933 -15.020 -1.042 1.00 38.37 O ATOM 0 H ARG A 135 8.434 -11.328 -0.232 1.00 21.34 H new ATOM 0 HA ARG A 135 10.830 -12.860 -0.063 1.00 52.52 H new ATOM 0 HB2 ARG A 135 8.490 -12.903 1.884 1.00 64.02 H new ATOM 0 HB3 ARG A 135 10.180 -13.195 2.243 1.00 64.02 H new ATOM 0 HG2 ARG A 135 10.621 -10.763 1.557 1.00 25.34 H new ATOM 0 HG3 ARG A 135 8.883 -10.544 1.528 1.00 25.34 H new ATOM 0 HD2 ARG A 135 10.657 -11.193 3.894 1.00 52.23 H new ATOM 0 HD3 ARG A 135 9.571 -9.832 3.691 1.00 52.23 H new ATOM 0 HE ARG A 135 8.398 -12.570 3.833 1.00 24.20 H new ATOM 0 HH11 ARG A 135 8.857 -9.385 5.199 1.00 64.01 H new ATOM 0 HH12 ARG A 135 7.641 -9.645 6.453 1.00 64.01 H new ATOM 0 HH21 ARG A 135 6.934 -12.890 5.440 1.00 14.32 H new ATOM 0 HH22 ARG A 135 6.572 -11.596 6.587 1.00 14.32 H new