USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 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 59 ASN : amide:sc= -2.04! K(o=-1.7!,f=0.57) USER MOD Set 1.2: A 107 SER OG : rot 18:sc= 0.37 USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 127 GLN : amide:sc= 0 K(o=0,f=-0.56) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 76:sc= 0.633 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -10:sc= 0.671 USER MOD Single : A 60 SER OG : rot 180:sc= -0.255 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 67 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 68 GLN : amide:sc= -1.75! C(o=-1.8!,f=-4.5!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 85:sc= 0.062 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 -30:sc= 0.349 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.117 K(o=0.12,f=-3.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 71:sc= 0.826 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 83:sc= 0.561 USER MOD Single : A 101 GLN : amide:sc= -0.732 K(o=-0.73,f=-1.7!) USER MOD Single : A 104 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.15) USER MOD Single : A 106 SER OG : rot 96:sc= 0.69 USER MOD Single : A 115 THR OG1 : rot 120:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.669 K(o=0.67,f=-0.74) USER MOD Single : A 120 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 121 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.59) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 76:sc= -0.885 USER MOD Single : A 130 SER OG : rot -78:sc= 0.139 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -7.867 -12.226 -9.997 1.00 50.50 N ATOM 529 CA LYS A 36 -7.266 -11.618 -11.191 1.00 25.40 C ATOM 530 C LYS A 36 -6.030 -10.778 -10.818 1.00 74.43 C ATOM 531 O LYS A 36 -5.176 -10.501 -11.664 1.00 53.02 O ATOM 532 CB LYS A 36 -8.328 -10.763 -11.916 1.00 11.13 C ATOM 533 CG LYS A 36 -7.854 -10.086 -13.209 1.00 61.22 C ATOM 534 CD LYS A 36 -7.270 -8.693 -12.961 1.00 43.24 C ATOM 535 CE LYS A 36 -6.822 -8.027 -14.260 1.00 54.04 C ATOM 536 NZ LYS A 36 -6.258 -6.669 -14.032 1.00 61.25 N ATOM 0 HA LYS A 36 -6.927 -12.405 -11.864 1.00 25.40 H new ATOM 0 HB2 LYS A 36 -9.183 -11.397 -12.150 1.00 11.13 H new ATOM 0 HB3 LYS A 36 -8.680 -9.993 -11.230 1.00 11.13 H new ATOM 0 HG2 LYS A 36 -7.101 -10.712 -13.688 1.00 61.22 H new ATOM 0 HG3 LYS A 36 -8.691 -10.007 -13.902 1.00 61.22 H new ATOM 0 HD2 LYS A 36 -8.016 -8.068 -12.471 1.00 43.24 H new ATOM 0 HD3 LYS A 36 -6.422 -8.770 -12.281 1.00 43.24 H new ATOM 0 HE2 LYS A 36 -6.073 -8.652 -14.747 1.00 54.04 H new ATOM 0 HE3 LYS A 36 -7.670 -7.956 -14.941 1.00 54.04 H new ATOM 0 HZ1 LYS A 36 -5.968 -6.256 -14.941 1.00 61.25 H new ATOM 0 HZ2 LYS A 36 -6.979 -6.063 -13.591 1.00 61.25 H new ATOM 0 HZ3 LYS A 36 -5.432 -6.737 -13.404 1.00 61.25 H new ATOM 550 N ILE A 37 -5.938 -10.379 -9.545 1.00 65.11 N ATOM 551 CA ILE A 37 -4.797 -9.596 -9.057 1.00 2.14 C ATOM 552 C ILE A 37 -3.479 -10.382 -9.182 1.00 2.31 C ATOM 553 O ILE A 37 -3.071 -11.094 -8.262 1.00 20.54 O ATOM 554 CB ILE A 37 -4.985 -9.152 -7.578 1.00 13.32 C ATOM 555 CG1 ILE A 37 -6.299 -8.367 -7.399 1.00 14.13 C ATOM 556 CG2 ILE A 37 -3.790 -8.320 -7.107 1.00 2.24 C ATOM 557 CD1 ILE A 37 -6.438 -7.169 -8.317 1.00 14.43 C ATOM 0 H ILE A 37 -6.640 -10.585 -8.834 1.00 65.11 H new ATOM 0 HA ILE A 37 -4.747 -8.707 -9.686 1.00 2.14 H new ATOM 0 HB ILE A 37 -5.042 -10.049 -6.962 1.00 13.32 H new ATOM 0 HG12 ILE A 37 -7.138 -9.041 -7.571 1.00 14.13 H new ATOM 0 HG13 ILE A 37 -6.369 -8.028 -6.365 1.00 14.13 H new ATOM 0 HG21 ILE A 37 -3.942 -8.020 -6.070 1.00 2.24 H new ATOM 0 HG22 ILE A 37 -2.880 -8.915 -7.183 1.00 2.24 H new ATOM 0 HG23 ILE A 37 -3.696 -7.432 -7.732 1.00 2.24 H new ATOM 0 HD11 ILE A 37 -7.390 -6.673 -8.126 1.00 14.43 H new ATOM 0 HD12 ILE A 37 -5.622 -6.471 -8.131 1.00 14.43 H new ATOM 0 HD13 ILE A 37 -6.403 -7.500 -9.355 1.00 14.43 H new ATOM 569 N SER A 38 -2.835 -10.268 -10.339 1.00 63.43 N ATOM 570 CA SER A 38 -1.536 -10.908 -10.567 1.00 70.23 C ATOM 571 C SER A 38 -0.442 -10.265 -9.703 1.00 43.54 C ATOM 572 O SER A 38 -0.373 -9.040 -9.589 1.00 33.43 O ATOM 573 CB SER A 38 -1.144 -10.817 -12.050 1.00 54.24 C ATOM 574 OG SER A 38 -2.127 -11.416 -12.884 1.00 33.43 O ATOM 0 H SER A 38 -3.188 -9.739 -11.136 1.00 63.43 H new ATOM 0 HA SER A 38 -1.630 -11.956 -10.284 1.00 70.23 H new ATOM 0 HB2 SER A 38 -1.015 -9.772 -12.330 1.00 54.24 H new ATOM 0 HB3 SER A 38 -0.184 -11.309 -12.205 1.00 54.24 H new ATOM 0 HG SER A 38 -1.851 -11.341 -13.821 1.00 33.43 H new ATOM 580 N LYS A 39 0.414 -11.098 -9.106 1.00 12.13 N ATOM 581 CA LYS A 39 1.509 -10.626 -8.245 1.00 51.02 C ATOM 582 C LYS A 39 2.296 -9.470 -8.893 1.00 53.21 C ATOM 583 O LYS A 39 2.476 -8.411 -8.286 1.00 74.15 O ATOM 584 CB LYS A 39 2.453 -11.796 -7.920 1.00 2.40 C ATOM 585 CG LYS A 39 3.728 -11.387 -7.186 1.00 74.32 C ATOM 586 CD LYS A 39 4.577 -12.597 -6.799 1.00 42.44 C ATOM 587 CE LYS A 39 5.924 -12.183 -6.212 1.00 23.10 C ATOM 588 NZ LYS A 39 6.739 -13.360 -5.814 1.00 13.30 N ATOM 0 H LYS A 39 0.371 -12.113 -9.203 1.00 12.13 H new ATOM 0 HA LYS A 39 1.069 -10.242 -7.325 1.00 51.02 H new ATOM 0 HB2 LYS A 39 1.915 -12.524 -7.313 1.00 2.40 H new ATOM 0 HB3 LYS A 39 2.727 -12.296 -8.849 1.00 2.40 H new ATOM 0 HG2 LYS A 39 4.313 -10.721 -7.819 1.00 74.32 H new ATOM 0 HG3 LYS A 39 3.466 -10.826 -6.289 1.00 74.32 H new ATOM 0 HD2 LYS A 39 4.035 -13.203 -6.073 1.00 42.44 H new ATOM 0 HD3 LYS A 39 4.740 -13.222 -7.677 1.00 42.44 H new ATOM 0 HE2 LYS A 39 6.473 -11.592 -6.945 1.00 23.10 H new ATOM 0 HE3 LYS A 39 5.761 -11.544 -5.344 1.00 23.10 H new ATOM 0 HZ1 LYS A 39 7.646 -13.037 -5.420 1.00 13.30 H new ATOM 0 HZ2 LYS A 39 6.226 -13.911 -5.096 1.00 13.30 H new ATOM 0 HZ3 LYS A 39 6.916 -13.957 -6.647 1.00 13.30 H new ATOM 602 N GLU A 40 2.754 -9.682 -10.126 1.00 71.04 N ATOM 603 CA GLU A 40 3.448 -8.635 -10.892 1.00 55.32 C ATOM 604 C GLU A 40 2.619 -7.340 -10.974 1.00 73.02 C ATOM 605 O GLU A 40 3.136 -6.252 -10.732 1.00 70.23 O ATOM 606 CB GLU A 40 3.778 -9.146 -12.305 1.00 60.35 C ATOM 607 CG GLU A 40 2.577 -9.722 -13.051 1.00 61.32 C ATOM 608 CD GLU A 40 2.933 -10.236 -14.433 1.00 31.40 C ATOM 609 OE1 GLU A 40 3.450 -11.365 -14.535 1.00 31.05 O ATOM 610 OE2 GLU A 40 2.698 -9.510 -15.425 1.00 32.50 O ATOM 0 H GLU A 40 2.659 -10.569 -10.621 1.00 71.04 H new ATOM 0 HA GLU A 40 4.374 -8.399 -10.367 1.00 55.32 H new ATOM 0 HB2 GLU A 40 4.197 -8.326 -12.889 1.00 60.35 H new ATOM 0 HB3 GLU A 40 4.550 -9.912 -12.233 1.00 60.35 H new ATOM 0 HG2 GLU A 40 2.148 -10.535 -12.466 1.00 61.32 H new ATOM 0 HG3 GLU A 40 1.809 -8.954 -13.141 1.00 61.32 H new ATOM 617 N ALA A 41 1.331 -7.467 -11.297 1.00 13.32 N ATOM 618 CA ALA A 41 0.440 -6.306 -11.418 1.00 2.12 C ATOM 619 C ALA A 41 0.357 -5.522 -10.100 1.00 24.43 C ATOM 620 O ALA A 41 0.311 -4.290 -10.095 1.00 40.42 O ATOM 621 CB ALA A 41 -0.948 -6.754 -11.864 1.00 14.43 C ATOM 0 H ALA A 41 0.879 -8.363 -11.480 1.00 13.32 H new ATOM 0 HA ALA A 41 0.856 -5.638 -12.172 1.00 2.12 H new ATOM 0 HB1 ALA A 41 -1.600 -5.885 -11.950 1.00 14.43 H new ATOM 0 HB2 ALA A 41 -0.876 -7.252 -12.831 1.00 14.43 H new ATOM 0 HB3 ALA A 41 -1.360 -7.446 -11.130 1.00 14.43 H new ATOM 627 N LEU A 42 0.346 -6.249 -8.983 1.00 72.23 N ATOM 628 CA LEU A 42 0.347 -5.629 -7.652 1.00 43.42 C ATOM 629 C LEU A 42 1.648 -4.834 -7.439 1.00 42.03 C ATOM 630 O LEU A 42 1.626 -3.695 -6.966 1.00 24.11 O ATOM 631 CB LEU A 42 0.173 -6.717 -6.569 1.00 62.13 C ATOM 632 CG LEU A 42 -0.147 -6.226 -5.134 1.00 75.05 C ATOM 633 CD1 LEU A 42 -0.755 -7.358 -4.304 1.00 42.31 C ATOM 634 CD2 LEU A 42 1.101 -5.683 -4.435 1.00 1.24 C ATOM 0 H LEU A 42 0.336 -7.269 -8.970 1.00 72.23 H new ATOM 0 HA LEU A 42 -0.488 -4.933 -7.575 1.00 43.42 H new ATOM 0 HB2 LEU A 42 -0.626 -7.387 -6.885 1.00 62.13 H new ATOM 0 HB3 LEU A 42 1.088 -7.308 -6.530 1.00 62.13 H new ATOM 0 HG LEU A 42 -0.869 -5.414 -5.219 1.00 75.05 H new ATOM 0 HD11 LEU A 42 -0.973 -6.996 -3.299 1.00 42.31 H new ATOM 0 HD12 LEU A 42 -1.677 -7.700 -4.775 1.00 42.31 H new ATOM 0 HD13 LEU A 42 -0.049 -8.186 -4.245 1.00 42.31 H new ATOM 0 HD21 LEU A 42 0.839 -5.348 -3.431 1.00 1.24 H new ATOM 0 HD22 LEU A 42 1.853 -6.469 -4.370 1.00 1.24 H new ATOM 0 HD23 LEU A 42 1.501 -4.844 -5.005 1.00 1.24 H new ATOM 646 N LEU A 43 2.778 -5.442 -7.805 1.00 45.02 N ATOM 647 CA LEU A 43 4.087 -4.784 -7.697 1.00 60.24 C ATOM 648 C LEU A 43 4.147 -3.511 -8.560 1.00 32.55 C ATOM 649 O LEU A 43 4.627 -2.468 -8.112 1.00 24.10 O ATOM 650 CB LEU A 43 5.206 -5.756 -8.111 1.00 51.25 C ATOM 651 CG LEU A 43 5.298 -7.052 -7.281 1.00 42.12 C ATOM 652 CD1 LEU A 43 6.423 -7.950 -7.796 1.00 33.44 C ATOM 653 CD2 LEU A 43 5.496 -6.732 -5.798 1.00 42.33 C ATOM 0 H LEU A 43 2.816 -6.390 -8.179 1.00 45.02 H new ATOM 0 HA LEU A 43 4.231 -4.493 -6.656 1.00 60.24 H new ATOM 0 HB2 LEU A 43 5.062 -6.025 -9.158 1.00 51.25 H new ATOM 0 HB3 LEU A 43 6.160 -5.234 -8.045 1.00 51.25 H new ATOM 0 HG LEU A 43 4.357 -7.592 -7.391 1.00 42.12 H new ATOM 0 HD11 LEU A 43 6.468 -8.858 -7.195 1.00 33.44 H new ATOM 0 HD12 LEU A 43 6.231 -8.213 -8.836 1.00 33.44 H new ATOM 0 HD13 LEU A 43 7.373 -7.420 -7.725 1.00 33.44 H new ATOM 0 HD21 LEU A 43 5.558 -7.661 -5.231 1.00 42.33 H new ATOM 0 HD22 LEU A 43 6.418 -6.165 -5.668 1.00 42.33 H new ATOM 0 HD23 LEU A 43 4.653 -6.142 -5.437 1.00 42.33 H new ATOM 665 N GLU A 44 3.647 -3.603 -9.794 1.00 22.33 N ATOM 666 CA GLU A 44 3.604 -2.454 -10.713 1.00 22.13 C ATOM 667 C GLU A 44 2.830 -1.275 -10.103 1.00 35.31 C ATOM 668 O GLU A 44 3.290 -0.129 -10.134 1.00 14.32 O ATOM 669 CB GLU A 44 2.948 -2.863 -12.042 1.00 2.31 C ATOM 670 CG GLU A 44 3.646 -4.015 -12.760 1.00 60.14 C ATOM 671 CD GLU A 44 5.036 -3.658 -13.263 1.00 5.44 C ATOM 672 OE1 GLU A 44 6.009 -3.775 -12.487 1.00 3.35 O ATOM 673 OE2 GLU A 44 5.164 -3.281 -14.448 1.00 25.02 O ATOM 0 H GLU A 44 3.264 -4.464 -10.185 1.00 22.33 H new ATOM 0 HA GLU A 44 4.631 -2.136 -10.892 1.00 22.13 H new ATOM 0 HB2 GLU A 44 1.912 -3.144 -11.851 1.00 2.31 H new ATOM 0 HB3 GLU A 44 2.926 -1.998 -12.704 1.00 2.31 H new ATOM 0 HG2 GLU A 44 3.720 -4.865 -12.082 1.00 60.14 H new ATOM 0 HG3 GLU A 44 3.033 -4.333 -13.603 1.00 60.14 H new ATOM 680 N CYS A 45 1.649 -1.569 -9.553 1.00 34.23 N ATOM 681 CA CYS A 45 0.807 -0.549 -8.911 1.00 22.41 C ATOM 682 C CYS A 45 1.496 0.058 -7.677 1.00 24.01 C ATOM 683 O CYS A 45 1.530 1.275 -7.510 1.00 44.15 O ATOM 684 CB CYS A 45 -0.546 -1.147 -8.503 1.00 12.51 C ATOM 685 SG CYS A 45 -1.540 -1.761 -9.887 1.00 75.14 S ATOM 0 H CYS A 45 1.251 -2.508 -9.538 1.00 34.23 H new ATOM 0 HA CYS A 45 0.647 0.246 -9.640 1.00 22.41 H new ATOM 0 HB2 CYS A 45 -0.372 -1.966 -7.805 1.00 12.51 H new ATOM 0 HB3 CYS A 45 -1.118 -0.389 -7.969 1.00 12.51 H new ATOM 0 HG CYS A 45 -1.054 -2.894 -10.301 1.00 75.14 H new ATOM 691 N ALA A 46 2.042 -0.799 -6.813 1.00 54.20 N ATOM 692 CA ALA A 46 2.746 -0.345 -5.604 1.00 52.33 C ATOM 693 C ALA A 46 3.944 0.556 -5.950 1.00 13.43 C ATOM 694 O ALA A 46 4.183 1.580 -5.300 1.00 31.11 O ATOM 695 CB ALA A 46 3.206 -1.546 -4.782 1.00 34.00 C ATOM 0 H ALA A 46 2.012 -1.812 -6.925 1.00 54.20 H new ATOM 0 HA ALA A 46 2.047 0.247 -5.013 1.00 52.33 H new ATOM 0 HB1 ALA A 46 3.726 -1.198 -3.889 1.00 34.00 H new ATOM 0 HB2 ALA A 46 2.340 -2.140 -4.489 1.00 34.00 H new ATOM 0 HB3 ALA A 46 3.881 -2.159 -5.379 1.00 34.00 H new ATOM 701 N ASP A 47 4.688 0.165 -6.982 1.00 72.04 N ATOM 702 CA ASP A 47 5.842 0.932 -7.459 1.00 75.04 C ATOM 703 C ASP A 47 5.446 2.377 -7.824 1.00 11.10 C ATOM 704 O ASP A 47 6.228 3.313 -7.640 1.00 62.42 O ATOM 705 CB ASP A 47 6.461 0.216 -8.668 1.00 13.25 C ATOM 706 CG ASP A 47 7.682 0.925 -9.221 1.00 41.14 C ATOM 707 OD1 ASP A 47 8.743 0.901 -8.558 1.00 32.51 O ATOM 708 OD2 ASP A 47 7.591 1.497 -10.326 1.00 50.20 O ATOM 0 H ASP A 47 4.511 -0.689 -7.511 1.00 72.04 H new ATOM 0 HA ASP A 47 6.578 0.992 -6.657 1.00 75.04 H new ATOM 0 HB2 ASP A 47 6.737 -0.798 -8.379 1.00 13.25 H new ATOM 0 HB3 ASP A 47 5.711 0.130 -9.455 1.00 13.25 H new ATOM 713 N LEU A 48 4.218 2.551 -8.323 1.00 14.11 N ATOM 714 CA LEU A 48 3.698 3.883 -8.663 1.00 52.50 C ATOM 715 C LEU A 48 3.740 4.837 -7.462 1.00 23.33 C ATOM 716 O LEU A 48 4.085 6.006 -7.607 1.00 63.52 O ATOM 717 CB LEU A 48 2.261 3.782 -9.196 1.00 32.45 C ATOM 718 CG LEU A 48 2.118 3.135 -10.581 1.00 21.13 C ATOM 719 CD1 LEU A 48 0.646 2.971 -10.952 1.00 34.31 C ATOM 720 CD2 LEU A 48 2.855 3.967 -11.632 1.00 23.35 C ATOM 0 H LEU A 48 3.565 1.788 -8.501 1.00 14.11 H new ATOM 0 HA LEU A 48 4.344 4.291 -9.440 1.00 52.50 H new ATOM 0 HB2 LEU A 48 1.666 3.211 -8.483 1.00 32.45 H new ATOM 0 HB3 LEU A 48 1.835 4.784 -9.236 1.00 32.45 H new ATOM 0 HG LEU A 48 2.568 2.143 -10.549 1.00 21.13 H new ATOM 0 HD11 LEU A 48 0.568 2.511 -11.937 1.00 34.31 H new ATOM 0 HD12 LEU A 48 0.154 2.337 -10.215 1.00 34.31 H new ATOM 0 HD13 LEU A 48 0.164 3.948 -10.969 1.00 34.31 H new ATOM 0 HD21 LEU A 48 2.746 3.498 -12.610 1.00 23.35 H new ATOM 0 HD22 LEU A 48 2.433 4.971 -11.663 1.00 23.35 H new ATOM 0 HD23 LEU A 48 3.912 4.026 -11.374 1.00 23.35 H new ATOM 732 N LEU A 49 3.395 4.335 -6.277 1.00 30.15 N ATOM 733 CA LEU A 49 3.395 5.163 -5.062 1.00 22.32 C ATOM 734 C LEU A 49 4.823 5.544 -4.654 1.00 35.22 C ATOM 735 O LEU A 49 5.094 6.697 -4.327 1.00 62.12 O ATOM 736 CB LEU A 49 2.682 4.452 -3.898 1.00 31.14 C ATOM 737 CG LEU A 49 1.162 4.251 -4.072 1.00 75.34 C ATOM 738 CD1 LEU A 49 0.865 3.250 -5.182 1.00 5.41 C ATOM 739 CD2 LEU A 49 0.515 3.807 -2.762 1.00 12.14 C ATOM 0 H LEU A 49 3.113 3.366 -6.128 1.00 30.15 H new ATOM 0 HA LEU A 49 2.845 6.075 -5.292 1.00 22.32 H new ATOM 0 HB2 LEU A 49 3.145 3.476 -3.753 1.00 31.14 H new ATOM 0 HB3 LEU A 49 2.853 5.025 -2.986 1.00 31.14 H new ATOM 0 HG LEU A 49 0.732 5.211 -4.357 1.00 75.34 H new ATOM 0 HD11 LEU A 49 -0.213 3.128 -5.283 1.00 5.41 H new ATOM 0 HD12 LEU A 49 1.278 3.616 -6.122 1.00 5.41 H new ATOM 0 HD13 LEU A 49 1.318 2.289 -4.936 1.00 5.41 H new ATOM 0 HD21 LEU A 49 -0.556 3.673 -2.912 1.00 12.14 H new ATOM 0 HD22 LEU A 49 0.957 2.865 -2.439 1.00 12.14 H new ATOM 0 HD23 LEU A 49 0.682 4.567 -1.998 1.00 12.14 H new ATOM 751 N SER A 50 5.735 4.573 -4.690 1.00 50.42 N ATOM 752 CA SER A 50 7.156 4.831 -4.403 1.00 22.21 C ATOM 753 C SER A 50 7.721 5.890 -5.363 1.00 42.13 C ATOM 754 O SER A 50 8.447 6.802 -4.958 1.00 2.44 O ATOM 755 CB SER A 50 7.966 3.530 -4.520 1.00 62.21 C ATOM 756 OG SER A 50 9.343 3.747 -4.256 1.00 62.01 O ATOM 0 H SER A 50 5.521 3.601 -4.914 1.00 50.42 H new ATOM 0 HA SER A 50 7.236 5.209 -3.384 1.00 22.21 H new ATOM 0 HB2 SER A 50 7.573 2.792 -3.821 1.00 62.21 H new ATOM 0 HB3 SER A 50 7.848 3.116 -5.521 1.00 62.21 H new ATOM 0 HG SER A 50 9.829 2.900 -4.337 1.00 62.01 H new ATOM 762 N SER A 51 7.361 5.768 -6.639 1.00 10.13 N ATOM 763 CA SER A 51 7.759 6.744 -7.663 1.00 43.40 C ATOM 764 C SER A 51 7.089 8.108 -7.433 1.00 3.12 C ATOM 765 O SER A 51 7.741 9.148 -7.503 1.00 53.50 O ATOM 766 CB SER A 51 7.398 6.220 -9.063 1.00 41.03 C ATOM 767 OG SER A 51 7.690 7.175 -10.081 1.00 1.02 O ATOM 0 H SER A 51 6.791 5.000 -6.994 1.00 10.13 H new ATOM 0 HA SER A 51 8.838 6.879 -7.590 1.00 43.40 H new ATOM 0 HB2 SER A 51 7.949 5.300 -9.259 1.00 41.03 H new ATOM 0 HB3 SER A 51 6.338 5.969 -9.094 1.00 41.03 H new ATOM 0 HG SER A 51 7.448 6.805 -10.956 1.00 1.02 H new ATOM 773 N ALA A 52 5.789 8.091 -7.139 1.00 54.34 N ATOM 774 CA ALA A 52 5.003 9.324 -6.979 1.00 41.20 C ATOM 775 C ALA A 52 5.425 10.140 -5.746 1.00 11.01 C ATOM 776 O ALA A 52 5.502 11.363 -5.802 1.00 1.24 O ATOM 777 CB ALA A 52 3.514 8.990 -6.910 1.00 21.23 C ATOM 0 H ALA A 52 5.252 7.234 -7.005 1.00 54.34 H new ATOM 0 HA ALA A 52 5.199 9.946 -7.852 1.00 41.20 H new ATOM 0 HB1 ALA A 52 2.940 9.909 -6.791 1.00 21.23 H new ATOM 0 HB2 ALA A 52 3.211 8.489 -7.829 1.00 21.23 H new ATOM 0 HB3 ALA A 52 3.327 8.334 -6.060 1.00 21.23 H new ATOM 783 N LEU A 53 5.712 9.461 -4.640 1.00 22.10 N ATOM 784 CA LEU A 53 6.077 10.136 -3.385 1.00 3.12 C ATOM 785 C LEU A 53 7.447 10.834 -3.467 1.00 25.02 C ATOM 786 O LEU A 53 7.797 11.625 -2.589 1.00 72.43 O ATOM 787 CB LEU A 53 6.058 9.134 -2.221 1.00 13.33 C ATOM 788 CG LEU A 53 4.662 8.617 -1.829 1.00 51.33 C ATOM 789 CD1 LEU A 53 4.760 7.525 -0.768 1.00 2.05 C ATOM 790 CD2 LEU A 53 3.786 9.766 -1.333 1.00 45.35 C ATOM 0 H LEU A 53 5.701 8.443 -4.580 1.00 22.10 H new ATOM 0 HA LEU A 53 5.333 10.913 -3.209 1.00 3.12 H new ATOM 0 HB2 LEU A 53 6.683 8.281 -2.485 1.00 13.33 H new ATOM 0 HB3 LEU A 53 6.512 9.605 -1.349 1.00 13.33 H new ATOM 0 HG LEU A 53 4.201 8.185 -2.717 1.00 51.33 H new ATOM 0 HD11 LEU A 53 3.760 7.178 -0.510 1.00 2.05 H new ATOM 0 HD12 LEU A 53 5.344 6.691 -1.157 1.00 2.05 H new ATOM 0 HD13 LEU A 53 5.246 7.925 0.122 1.00 2.05 H new ATOM 0 HD21 LEU A 53 2.803 9.382 -1.060 1.00 45.35 H new ATOM 0 HD22 LEU A 53 4.250 10.227 -0.461 1.00 45.35 H new ATOM 0 HD23 LEU A 53 3.679 10.509 -2.123 1.00 45.35 H new ATOM 802 N THR A 54 8.219 10.545 -4.516 1.00 31.13 N ATOM 803 CA THR A 54 9.531 11.188 -4.715 1.00 3.52 C ATOM 804 C THR A 54 9.461 12.324 -5.752 1.00 63.23 C ATOM 805 O THR A 54 10.471 12.957 -6.071 1.00 62.44 O ATOM 806 CB THR A 54 10.609 10.162 -5.148 1.00 41.30 C ATOM 807 OG1 THR A 54 10.201 9.482 -6.346 1.00 61.40 O ATOM 808 CG2 THR A 54 10.865 9.139 -4.045 1.00 20.40 C ATOM 0 H THR A 54 7.965 9.874 -5.241 1.00 31.13 H new ATOM 0 HA THR A 54 9.813 11.612 -3.752 1.00 3.52 H new ATOM 0 HB THR A 54 11.532 10.710 -5.339 1.00 41.30 H new ATOM 0 HG1 THR A 54 9.265 9.696 -6.541 1.00 61.40 H new ATOM 0 HG21 THR A 54 11.625 8.431 -4.375 1.00 20.40 H new ATOM 0 HG22 THR A 54 11.211 9.651 -3.147 1.00 20.40 H new ATOM 0 HG23 THR A 54 9.942 8.603 -3.824 1.00 20.40 H new ATOM 816 N GLU A 55 8.258 12.581 -6.264 1.00 63.51 N ATOM 817 CA GLU A 55 8.011 13.686 -7.204 1.00 14.22 C ATOM 818 C GLU A 55 6.798 14.514 -6.736 1.00 44.42 C ATOM 819 O GLU A 55 5.994 14.037 -5.935 1.00 65.04 O ATOM 820 CB GLU A 55 7.768 13.137 -8.622 1.00 52.24 C ATOM 821 CG GLU A 55 6.593 12.167 -8.722 1.00 43.23 C ATOM 822 CD GLU A 55 6.330 11.692 -10.144 1.00 55.51 C ATOM 823 OE1 GLU A 55 6.977 10.715 -10.586 1.00 53.50 O ATOM 824 OE2 GLU A 55 5.472 12.297 -10.826 1.00 70.53 O ATOM 0 H GLU A 55 7.426 12.034 -6.043 1.00 63.51 H new ATOM 0 HA GLU A 55 8.889 14.331 -7.228 1.00 14.22 H new ATOM 0 HB2 GLU A 55 7.593 13.973 -9.299 1.00 52.24 H new ATOM 0 HB3 GLU A 55 8.672 12.633 -8.965 1.00 52.24 H new ATOM 0 HG2 GLU A 55 6.788 11.303 -8.087 1.00 43.23 H new ATOM 0 HG3 GLU A 55 5.696 12.651 -8.335 1.00 43.23 H new ATOM 831 N PRO A 56 6.643 15.774 -7.201 1.00 14.12 N ATOM 832 CA PRO A 56 5.492 16.597 -6.797 1.00 14.02 C ATOM 833 C PRO A 56 4.175 16.108 -7.422 1.00 61.53 C ATOM 834 O PRO A 56 4.020 16.074 -8.645 1.00 62.12 O ATOM 835 CB PRO A 56 5.865 17.993 -7.321 1.00 11.32 C ATOM 836 CG PRO A 56 6.786 17.736 -8.470 1.00 13.20 C ATOM 837 CD PRO A 56 7.555 16.488 -8.115 1.00 61.02 C ATOM 0 HA PRO A 56 5.315 16.564 -5.722 1.00 14.02 H new ATOM 0 HB2 PRO A 56 4.981 18.546 -7.639 1.00 11.32 H new ATOM 0 HB3 PRO A 56 6.352 18.588 -6.549 1.00 11.32 H new ATOM 0 HG2 PRO A 56 6.227 17.600 -9.396 1.00 13.20 H new ATOM 0 HG3 PRO A 56 7.460 18.578 -8.626 1.00 13.20 H new ATOM 0 HD2 PRO A 56 7.786 15.893 -8.999 1.00 61.02 H new ATOM 0 HD3 PRO A 56 8.504 16.724 -7.633 1.00 61.02 H new ATOM 845 N VAL A 57 3.221 15.752 -6.569 1.00 14.13 N ATOM 846 CA VAL A 57 1.915 15.248 -7.010 1.00 44.31 C ATOM 847 C VAL A 57 0.789 15.745 -6.089 1.00 10.12 C ATOM 848 O VAL A 57 1.023 16.035 -4.915 1.00 20.22 O ATOM 849 CB VAL A 57 1.894 13.694 -7.054 1.00 61.41 C ATOM 850 CG1 VAL A 57 2.739 13.168 -8.214 1.00 24.33 C ATOM 851 CG2 VAL A 57 2.382 13.115 -5.730 1.00 52.22 C ATOM 0 H VAL A 57 3.325 15.802 -5.556 1.00 14.13 H new ATOM 0 HA VAL A 57 1.749 15.632 -8.016 1.00 44.31 H new ATOM 0 HB VAL A 57 0.864 13.374 -7.214 1.00 61.41 H new ATOM 0 HG11 VAL A 57 2.708 12.078 -8.222 1.00 24.33 H new ATOM 0 HG12 VAL A 57 2.343 13.550 -9.155 1.00 24.33 H new ATOM 0 HG13 VAL A 57 3.770 13.500 -8.093 1.00 24.33 H new ATOM 0 HG21 VAL A 57 2.361 12.026 -5.779 1.00 52.22 H new ATOM 0 HG22 VAL A 57 3.402 13.450 -5.540 1.00 52.22 H new ATOM 0 HG23 VAL A 57 1.733 13.455 -4.923 1.00 52.22 H new ATOM 861 N PRO A 58 -0.450 15.852 -6.603 1.00 22.51 N ATOM 862 CA PRO A 58 -1.603 16.255 -5.784 1.00 61.22 C ATOM 863 C PRO A 58 -2.022 15.169 -4.776 1.00 40.20 C ATOM 864 O PRO A 58 -1.976 13.972 -5.078 1.00 5.31 O ATOM 865 CB PRO A 58 -2.709 16.492 -6.821 1.00 35.23 C ATOM 866 CG PRO A 58 -2.334 15.627 -7.980 1.00 63.40 C ATOM 867 CD PRO A 58 -0.827 15.599 -8.009 1.00 71.54 C ATOM 0 HA PRO A 58 -1.382 17.129 -5.171 1.00 61.22 H new ATOM 0 HB2 PRO A 58 -3.688 16.221 -6.425 1.00 35.23 H new ATOM 0 HB3 PRO A 58 -2.762 17.541 -7.111 1.00 35.23 H new ATOM 0 HG2 PRO A 58 -2.740 14.622 -7.864 1.00 63.40 H new ATOM 0 HG3 PRO A 58 -2.735 16.028 -8.911 1.00 63.40 H new ATOM 0 HD2 PRO A 58 -0.450 14.638 -8.359 1.00 71.54 H new ATOM 0 HD3 PRO A 58 -0.424 16.361 -8.676 1.00 71.54 H new ATOM 875 N ASN A 59 -2.434 15.593 -3.579 1.00 54.01 N ATOM 876 CA ASN A 59 -2.892 14.664 -2.535 1.00 35.13 C ATOM 877 C ASN A 59 -3.994 13.730 -3.059 1.00 13.00 C ATOM 878 O ASN A 59 -4.051 12.552 -2.697 1.00 52.44 O ATOM 879 CB ASN A 59 -3.386 15.457 -1.319 1.00 52.33 C ATOM 880 CG ASN A 59 -3.981 14.581 -0.235 1.00 10.24 C ATOM 881 OD1 ASN A 59 -5.186 14.369 -0.181 1.00 40.10 O ATOM 882 ND2 ASN A 59 -3.140 14.066 0.638 1.00 71.22 N ATOM 0 H ASN A 59 -2.461 16.575 -3.305 1.00 54.01 H new ATOM 0 HA ASN A 59 -2.051 14.039 -2.237 1.00 35.13 H new ATOM 0 HB2 ASN A 59 -2.555 16.025 -0.902 1.00 52.33 H new ATOM 0 HB3 ASN A 59 -4.134 16.180 -1.644 1.00 52.33 H new ATOM 0 HD21 ASN A 59 -3.487 13.469 1.389 1.00 71.22 H new ATOM 0 HD22 ASN A 59 -2.142 14.264 0.563 1.00 71.22 H new ATOM 889 N SER A 60 -4.852 14.263 -3.929 1.00 25.40 N ATOM 890 CA SER A 60 -5.900 13.471 -4.586 1.00 12.23 C ATOM 891 C SER A 60 -5.310 12.231 -5.274 1.00 11.40 C ATOM 892 O SER A 60 -5.730 11.108 -5.013 1.00 54.14 O ATOM 893 CB SER A 60 -6.625 14.325 -5.631 1.00 35.32 C ATOM 894 OG SER A 60 -5.720 14.774 -6.631 1.00 3.22 O ATOM 0 H SER A 60 -4.844 15.247 -4.199 1.00 25.40 H new ATOM 0 HA SER A 60 -6.602 13.146 -3.818 1.00 12.23 H new ATOM 0 HB2 SER A 60 -7.424 13.744 -6.091 1.00 35.32 H new ATOM 0 HB3 SER A 60 -7.093 15.182 -5.146 1.00 35.32 H new ATOM 0 HG SER A 60 -6.203 15.316 -7.290 1.00 3.22 H new ATOM 900 N GLN A 61 -4.319 12.452 -6.140 1.00 44.34 N ATOM 901 CA GLN A 61 -3.635 11.363 -6.852 1.00 72.52 C ATOM 902 C GLN A 61 -3.020 10.344 -5.876 1.00 33.50 C ATOM 903 O GLN A 61 -3.056 9.138 -6.121 1.00 45.21 O ATOM 904 CB GLN A 61 -2.544 11.944 -7.767 1.00 33.13 C ATOM 905 CG GLN A 61 -1.730 10.898 -8.529 1.00 4.12 C ATOM 906 CD GLN A 61 -0.708 11.520 -9.470 1.00 34.34 C ATOM 907 OE1 GLN A 61 -0.906 12.612 -9.991 1.00 60.22 O ATOM 908 NE2 GLN A 61 0.389 10.829 -9.707 1.00 3.42 N ATOM 0 H GLN A 61 -3.968 13.382 -6.368 1.00 44.34 H new ATOM 0 HA GLN A 61 -4.376 10.837 -7.455 1.00 72.52 H new ATOM 0 HB2 GLN A 61 -3.011 12.616 -8.486 1.00 33.13 H new ATOM 0 HB3 GLN A 61 -1.864 12.546 -7.163 1.00 33.13 H new ATOM 0 HG2 GLN A 61 -1.216 10.253 -7.816 1.00 4.12 H new ATOM 0 HG3 GLN A 61 -2.407 10.264 -9.102 1.00 4.12 H new ATOM 0 HE21 GLN A 61 0.528 9.923 -9.260 1.00 3.42 H new ATOM 0 HE22 GLN A 61 1.099 11.200 -10.338 1.00 3.42 H new ATOM 917 N LEU A 62 -2.462 10.836 -4.775 1.00 33.11 N ATOM 918 CA LEU A 62 -1.853 9.968 -3.758 1.00 13.34 C ATOM 919 C LEU A 62 -2.886 9.028 -3.117 1.00 45.51 C ATOM 920 O LEU A 62 -2.742 7.802 -3.161 1.00 75.11 O ATOM 921 CB LEU A 62 -1.182 10.820 -2.670 1.00 0.02 C ATOM 922 CG LEU A 62 0.040 11.625 -3.134 1.00 10.33 C ATOM 923 CD1 LEU A 62 0.574 12.503 -2.005 1.00 61.13 C ATOM 924 CD2 LEU A 62 1.128 10.685 -3.648 1.00 50.43 C ATOM 0 H LEU A 62 -2.416 11.832 -4.559 1.00 33.11 H new ATOM 0 HA LEU A 62 -1.104 9.353 -4.257 1.00 13.34 H new ATOM 0 HB2 LEU A 62 -1.921 11.512 -2.265 1.00 0.02 H new ATOM 0 HB3 LEU A 62 -0.877 10.165 -1.854 1.00 0.02 H new ATOM 0 HG LEU A 62 -0.268 12.279 -3.950 1.00 10.33 H new ATOM 0 HD11 LEU A 62 1.440 13.063 -2.358 1.00 61.13 H new ATOM 0 HD12 LEU A 62 -0.203 13.198 -1.686 1.00 61.13 H new ATOM 0 HD13 LEU A 62 0.867 11.875 -1.163 1.00 61.13 H new ATOM 0 HD21 LEU A 62 1.989 11.269 -3.974 1.00 50.43 H new ATOM 0 HD22 LEU A 62 1.430 10.007 -2.850 1.00 50.43 H new ATOM 0 HD23 LEU A 62 0.743 10.107 -4.488 1.00 50.43 H new ATOM 936 N VAL A 63 -3.933 9.606 -2.531 1.00 43.42 N ATOM 937 CA VAL A 63 -4.968 8.819 -1.850 1.00 2.03 C ATOM 938 C VAL A 63 -5.753 7.946 -2.849 1.00 14.31 C ATOM 939 O VAL A 63 -6.113 6.804 -2.546 1.00 4.52 O ATOM 940 CB VAL A 63 -5.949 9.734 -1.066 1.00 43.22 C ATOM 941 CG1 VAL A 63 -6.917 8.902 -0.225 1.00 43.33 C ATOM 942 CG2 VAL A 63 -5.180 10.726 -0.190 1.00 13.14 C ATOM 0 H VAL A 63 -4.090 10.614 -2.512 1.00 43.42 H new ATOM 0 HA VAL A 63 -4.459 8.166 -1.140 1.00 2.03 H new ATOM 0 HB VAL A 63 -6.535 10.302 -1.789 1.00 43.22 H new ATOM 0 HG11 VAL A 63 -7.593 9.565 0.314 1.00 43.33 H new ATOM 0 HG12 VAL A 63 -7.495 8.247 -0.877 1.00 43.33 H new ATOM 0 HG13 VAL A 63 -6.354 8.300 0.488 1.00 43.33 H new ATOM 0 HG21 VAL A 63 -5.886 11.357 0.350 1.00 13.14 H new ATOM 0 HG22 VAL A 63 -4.563 10.179 0.523 1.00 13.14 H new ATOM 0 HG23 VAL A 63 -4.544 11.349 -0.818 1.00 13.14 H new ATOM 952 N ASP A 64 -6.003 8.483 -4.043 1.00 14.14 N ATOM 953 CA ASP A 64 -6.689 7.736 -5.104 1.00 10.54 C ATOM 954 C ASP A 64 -5.890 6.482 -5.503 1.00 10.44 C ATOM 955 O ASP A 64 -6.416 5.368 -5.492 1.00 20.04 O ATOM 956 CB ASP A 64 -6.902 8.634 -6.327 1.00 64.53 C ATOM 957 CG ASP A 64 -7.644 7.922 -7.444 1.00 52.25 C ATOM 958 OD1 ASP A 64 -8.892 7.929 -7.432 1.00 33.32 O ATOM 959 OD2 ASP A 64 -6.982 7.348 -8.335 1.00 31.35 O ATOM 0 H ASP A 64 -5.741 9.434 -4.303 1.00 14.14 H new ATOM 0 HA ASP A 64 -7.658 7.415 -4.721 1.00 10.54 H new ATOM 0 HB2 ASP A 64 -7.462 9.521 -6.030 1.00 64.53 H new ATOM 0 HB3 ASP A 64 -5.935 8.976 -6.697 1.00 64.53 H new ATOM 964 N THR A 65 -4.616 6.672 -5.840 1.00 12.14 N ATOM 965 CA THR A 65 -3.739 5.551 -6.204 1.00 43.11 C ATOM 966 C THR A 65 -3.597 4.565 -5.035 1.00 34.44 C ATOM 967 O THR A 65 -3.522 3.352 -5.231 1.00 20.43 O ATOM 968 CB THR A 65 -2.341 6.045 -6.644 1.00 12.44 C ATOM 969 OG1 THR A 65 -2.477 7.024 -7.684 1.00 52.11 O ATOM 970 CG2 THR A 65 -1.476 4.896 -7.151 1.00 23.15 C ATOM 0 H THR A 65 -4.165 7.586 -5.870 1.00 12.14 H new ATOM 0 HA THR A 65 -4.204 5.039 -7.047 1.00 43.11 H new ATOM 0 HB THR A 65 -1.855 6.485 -5.773 1.00 12.44 H new ATOM 0 HG1 THR A 65 -2.555 7.916 -7.285 1.00 52.11 H new ATOM 0 HG21 THR A 65 -0.501 5.280 -7.452 1.00 23.15 H new ATOM 0 HG22 THR A 65 -1.347 4.160 -6.358 1.00 23.15 H new ATOM 0 HG23 THR A 65 -1.960 4.426 -8.007 1.00 23.15 H new ATOM 978 N GLY A 66 -3.575 5.091 -3.813 1.00 42.24 N ATOM 979 CA GLY A 66 -3.588 4.234 -2.634 1.00 74.40 C ATOM 980 C GLY A 66 -4.837 3.355 -2.569 1.00 64.24 C ATOM 981 O GLY A 66 -4.792 2.226 -2.079 1.00 62.01 O ATOM 0 H GLY A 66 -3.548 6.091 -3.616 1.00 42.24 H new ATOM 0 HA2 GLY A 66 -2.701 3.601 -2.638 1.00 74.40 H new ATOM 0 HA3 GLY A 66 -3.534 4.852 -1.738 1.00 74.40 H new ATOM 985 N HIS A 67 -5.955 3.872 -3.086 1.00 22.31 N ATOM 986 CA HIS A 67 -7.221 3.132 -3.099 1.00 34.32 C ATOM 987 C HIS A 67 -7.165 1.903 -4.024 1.00 54.35 C ATOM 988 O HIS A 67 -7.712 0.850 -3.689 1.00 5.43 O ATOM 989 CB HIS A 67 -8.383 4.046 -3.506 1.00 42.31 C ATOM 990 CG HIS A 67 -8.729 5.075 -2.473 1.00 41.40 C ATOM 991 ND1 HIS A 67 -9.267 6.305 -2.783 1.00 14.22 N ATOM 992 CD2 HIS A 67 -8.636 5.041 -1.122 1.00 72.21 C ATOM 993 CE1 HIS A 67 -9.488 6.978 -1.675 1.00 15.12 C ATOM 994 NE2 HIS A 67 -9.116 6.237 -0.655 1.00 1.30 N ATOM 0 H HIS A 67 -6.010 4.802 -3.502 1.00 22.31 H new ATOM 0 HA HIS A 67 -7.389 2.774 -2.083 1.00 34.32 H new ATOM 0 HB2 HIS A 67 -8.128 4.551 -4.438 1.00 42.31 H new ATOM 0 HB3 HIS A 67 -9.263 3.434 -3.706 1.00 42.31 H new ATOM 0 HD2 HIS A 67 -8.255 4.225 -0.525 1.00 72.21 H new ATOM 0 HE1 HIS A 67 -9.905 7.972 -1.613 1.00 15.12 H new ATOM 0 HE2 HIS A 67 -9.175 6.508 0.326 1.00 1.30 H new ATOM 1003 N GLN A 68 -6.520 2.022 -5.190 1.00 63.35 N ATOM 1004 CA GLN A 68 -6.378 0.858 -6.079 1.00 73.13 C ATOM 1005 C GLN A 68 -5.453 -0.187 -5.444 1.00 51.41 C ATOM 1006 O GLN A 68 -5.619 -1.387 -5.652 1.00 53.52 O ATOM 1007 CB GLN A 68 -5.872 1.243 -7.482 1.00 72.30 C ATOM 1008 CG GLN A 68 -4.424 1.716 -7.539 1.00 61.42 C ATOM 1009 CD GLN A 68 -3.925 1.944 -8.961 1.00 54.01 C ATOM 1010 OE1 GLN A 68 -3.089 2.805 -9.208 1.00 23.55 O ATOM 1011 NE2 GLN A 68 -4.422 1.168 -9.907 1.00 55.43 N ATOM 0 H GLN A 68 -6.098 2.884 -5.535 1.00 63.35 H new ATOM 0 HA GLN A 68 -7.372 0.430 -6.207 1.00 73.13 H new ATOM 0 HB2 GLN A 68 -5.983 0.381 -8.140 1.00 72.30 H new ATOM 0 HB3 GLN A 68 -6.512 2.032 -7.878 1.00 72.30 H new ATOM 0 HG2 GLN A 68 -4.328 2.643 -6.974 1.00 61.42 H new ATOM 0 HG3 GLN A 68 -3.787 0.978 -7.051 1.00 61.42 H new ATOM 0 HE21 GLN A 68 -5.117 0.459 -9.672 1.00 55.43 H new ATOM 0 HE22 GLN A 68 -4.111 1.277 -10.872 1.00 55.43 H new ATOM 1020 N LEU A 69 -4.482 0.275 -4.654 1.00 62.43 N ATOM 1021 CA LEU A 69 -3.645 -0.632 -3.863 1.00 54.53 C ATOM 1022 C LEU A 69 -4.484 -1.377 -2.820 1.00 41.31 C ATOM 1023 O LEU A 69 -4.255 -2.555 -2.561 1.00 40.34 O ATOM 1024 CB LEU A 69 -2.490 0.127 -3.188 1.00 30.44 C ATOM 1025 CG LEU A 69 -1.195 0.204 -4.013 1.00 72.24 C ATOM 1026 CD1 LEU A 69 -0.559 -1.178 -4.143 1.00 65.15 C ATOM 1027 CD2 LEU A 69 -1.469 0.800 -5.392 1.00 71.13 C ATOM 0 H LEU A 69 -4.256 1.264 -4.544 1.00 62.43 H new ATOM 0 HA LEU A 69 -3.214 -1.366 -4.543 1.00 54.53 H new ATOM 0 HB2 LEU A 69 -2.822 1.141 -2.965 1.00 30.44 H new ATOM 0 HB3 LEU A 69 -2.268 -0.352 -2.235 1.00 30.44 H new ATOM 0 HG LEU A 69 -0.495 0.857 -3.491 1.00 72.24 H new ATOM 0 HD11 LEU A 69 0.356 -1.104 -4.730 1.00 65.15 H new ATOM 0 HD12 LEU A 69 -0.324 -1.565 -3.152 1.00 65.15 H new ATOM 0 HD13 LEU A 69 -1.255 -1.854 -4.640 1.00 65.15 H new ATOM 0 HD21 LEU A 69 -0.540 0.846 -5.960 1.00 71.13 H new ATOM 0 HD22 LEU A 69 -2.188 0.175 -5.922 1.00 71.13 H new ATOM 0 HD23 LEU A 69 -1.875 1.805 -5.280 1.00 71.13 H new ATOM 1039 N LEU A 70 -5.456 -0.688 -2.226 1.00 40.42 N ATOM 1040 CA LEU A 70 -6.418 -1.338 -1.328 1.00 70.30 C ATOM 1041 C LEU A 70 -7.255 -2.389 -2.075 1.00 42.42 C ATOM 1042 O LEU A 70 -7.517 -3.465 -1.549 1.00 31.22 O ATOM 1043 CB LEU A 70 -7.334 -0.300 -0.652 1.00 63.21 C ATOM 1044 CG LEU A 70 -6.897 0.136 0.757 1.00 5.04 C ATOM 1045 CD1 LEU A 70 -6.916 -1.058 1.713 1.00 2.03 C ATOM 1046 CD2 LEU A 70 -5.511 0.782 0.722 1.00 4.40 C ATOM 0 H LEU A 70 -5.601 0.314 -2.347 1.00 40.42 H new ATOM 0 HA LEU A 70 -5.848 -1.848 -0.551 1.00 70.30 H new ATOM 0 HB2 LEU A 70 -7.388 0.583 -1.288 1.00 63.21 H new ATOM 0 HB3 LEU A 70 -8.341 -0.712 -0.592 1.00 63.21 H new ATOM 0 HG LEU A 70 -7.605 0.881 1.121 1.00 5.04 H new ATOM 0 HD11 LEU A 70 -6.604 -0.734 2.706 1.00 2.03 H new ATOM 0 HD12 LEU A 70 -7.925 -1.467 1.765 1.00 2.03 H new ATOM 0 HD13 LEU A 70 -6.232 -1.825 1.350 1.00 2.03 H new ATOM 0 HD21 LEU A 70 -5.224 1.082 1.730 1.00 4.40 H new ATOM 0 HD22 LEU A 70 -4.785 0.066 0.336 1.00 4.40 H new ATOM 0 HD23 LEU A 70 -5.535 1.659 0.075 1.00 4.40 H new ATOM 1058 N ASP A 71 -7.659 -2.074 -3.304 1.00 33.21 N ATOM 1059 CA ASP A 71 -8.396 -3.026 -4.145 1.00 3.11 C ATOM 1060 C ASP A 71 -7.563 -4.299 -4.389 1.00 72.14 C ATOM 1061 O ASP A 71 -8.002 -5.418 -4.098 1.00 64.55 O ATOM 1062 CB ASP A 71 -8.764 -2.368 -5.482 1.00 14.31 C ATOM 1063 CG ASP A 71 -9.686 -3.234 -6.323 1.00 11.20 C ATOM 1064 OD1 ASP A 71 -10.922 -3.109 -6.176 1.00 75.41 O ATOM 1065 OD2 ASP A 71 -9.185 -4.052 -7.123 1.00 21.15 O ATOM 0 H ASP A 71 -7.491 -1.169 -3.743 1.00 33.21 H new ATOM 0 HA ASP A 71 -9.310 -3.312 -3.625 1.00 3.11 H new ATOM 0 HB2 ASP A 71 -9.246 -1.409 -5.291 1.00 14.31 H new ATOM 0 HB3 ASP A 71 -7.853 -2.161 -6.044 1.00 14.31 H new ATOM 1070 N TYR A 72 -6.353 -4.112 -4.918 1.00 13.13 N ATOM 1071 CA TYR A 72 -5.423 -5.221 -5.161 1.00 51.24 C ATOM 1072 C TYR A 72 -5.091 -5.991 -3.871 1.00 52.14 C ATOM 1073 O TYR A 72 -5.209 -7.211 -3.821 1.00 13.32 O ATOM 1074 CB TYR A 72 -4.127 -4.694 -5.801 1.00 63.15 C ATOM 1075 CG TYR A 72 -4.251 -4.381 -7.285 1.00 13.41 C ATOM 1076 CD1 TYR A 72 -5.154 -3.430 -7.749 1.00 11.34 C ATOM 1077 CD2 TYR A 72 -3.458 -5.037 -8.223 1.00 62.51 C ATOM 1078 CE1 TYR A 72 -5.271 -3.152 -9.097 1.00 71.41 C ATOM 1079 CE2 TYR A 72 -3.568 -4.762 -9.571 1.00 30.04 C ATOM 1080 CZ TYR A 72 -4.474 -3.818 -10.002 1.00 41.12 C ATOM 1081 OH TYR A 72 -4.591 -3.553 -11.350 1.00 15.03 O ATOM 0 H TYR A 72 -5.990 -3.198 -5.189 1.00 13.13 H new ATOM 0 HA TYR A 72 -5.915 -5.914 -5.843 1.00 51.24 H new ATOM 0 HB2 TYR A 72 -3.815 -3.792 -5.275 1.00 63.15 H new ATOM 0 HB3 TYR A 72 -3.338 -5.433 -5.661 1.00 63.15 H new ATOM 0 HD1 TYR A 72 -5.775 -2.899 -7.042 1.00 11.34 H new ATOM 0 HD2 TYR A 72 -2.743 -5.775 -7.889 1.00 62.51 H new ATOM 0 HE1 TYR A 72 -5.984 -2.416 -9.440 1.00 71.41 H new ATOM 0 HE2 TYR A 72 -2.947 -5.284 -10.284 1.00 30.04 H new ATOM 0 HH TYR A 72 -3.955 -4.108 -11.849 1.00 15.03 H new ATOM 1091 N CYS A 73 -4.688 -5.268 -2.830 1.00 10.23 N ATOM 1092 CA CYS A 73 -4.272 -5.887 -1.562 1.00 53.54 C ATOM 1093 C CYS A 73 -5.422 -6.611 -0.847 1.00 31.14 C ATOM 1094 O CYS A 73 -5.285 -7.770 -0.452 1.00 31.01 O ATOM 1095 CB CYS A 73 -3.671 -4.830 -0.626 1.00 33.32 C ATOM 1096 SG CYS A 73 -2.137 -4.095 -1.232 1.00 61.20 S ATOM 0 H CYS A 73 -4.638 -4.249 -2.834 1.00 10.23 H new ATOM 0 HA CYS A 73 -3.521 -6.636 -1.813 1.00 53.54 H new ATOM 0 HB2 CYS A 73 -4.404 -4.038 -0.471 1.00 33.32 H new ATOM 0 HB3 CYS A 73 -3.484 -5.286 0.346 1.00 33.32 H new ATOM 0 HG CYS A 73 -2.415 -3.115 -2.040 1.00 61.20 H new ATOM 1102 N SER A 74 -6.550 -5.923 -0.680 1.00 24.14 N ATOM 1103 CA SER A 74 -7.709 -6.489 0.031 1.00 65.14 C ATOM 1104 C SER A 74 -8.255 -7.732 -0.682 1.00 73.22 C ATOM 1105 O SER A 74 -8.839 -8.614 -0.054 1.00 44.15 O ATOM 1106 CB SER A 74 -8.824 -5.442 0.171 1.00 52.21 C ATOM 1107 OG SER A 74 -9.905 -5.930 0.951 1.00 15.24 O ATOM 0 H SER A 74 -6.692 -4.974 -1.025 1.00 24.14 H new ATOM 0 HA SER A 74 -7.367 -6.785 1.023 1.00 65.14 H new ATOM 0 HB2 SER A 74 -8.421 -4.540 0.631 1.00 52.21 H new ATOM 0 HB3 SER A 74 -9.186 -5.161 -0.818 1.00 52.21 H new ATOM 0 HG SER A 74 -10.596 -5.239 1.021 1.00 15.24 H new ATOM 1113 N GLY A 75 -8.068 -7.794 -1.999 1.00 20.33 N ATOM 1114 CA GLY A 75 -8.486 -8.965 -2.761 1.00 3.20 C ATOM 1115 C GLY A 75 -7.438 -10.082 -2.777 1.00 44.33 C ATOM 1116 O GLY A 75 -7.745 -11.242 -2.490 1.00 33.15 O ATOM 0 H GLY A 75 -7.635 -7.056 -2.554 1.00 20.33 H new ATOM 0 HA2 GLY A 75 -9.414 -9.352 -2.339 1.00 3.20 H new ATOM 0 HA3 GLY A 75 -8.703 -8.665 -3.786 1.00 3.20 H new ATOM 1120 N TYR A 76 -6.197 -9.724 -3.103 1.00 74.32 N ATOM 1121 CA TYR A 76 -5.105 -10.700 -3.242 1.00 42.43 C ATOM 1122 C TYR A 76 -4.839 -11.462 -1.933 1.00 21.41 C ATOM 1123 O TYR A 76 -4.420 -12.621 -1.959 1.00 63.11 O ATOM 1124 CB TYR A 76 -3.821 -9.992 -3.706 1.00 61.54 C ATOM 1125 CG TYR A 76 -2.693 -10.935 -4.109 1.00 32.43 C ATOM 1126 CD1 TYR A 76 -2.811 -11.749 -5.232 1.00 51.42 C ATOM 1127 CD2 TYR A 76 -1.507 -11.003 -3.377 1.00 1.41 C ATOM 1128 CE1 TYR A 76 -1.793 -12.605 -5.610 1.00 71.34 C ATOM 1129 CE2 TYR A 76 -0.482 -11.856 -3.752 1.00 62.24 C ATOM 1130 CZ TYR A 76 -0.630 -12.653 -4.871 1.00 71.41 C ATOM 1131 OH TYR A 76 0.389 -13.505 -5.257 1.00 52.23 O ATOM 0 H TYR A 76 -5.916 -8.759 -3.278 1.00 74.32 H new ATOM 0 HA TYR A 76 -5.414 -11.430 -3.990 1.00 42.43 H new ATOM 0 HB2 TYR A 76 -4.061 -9.349 -4.553 1.00 61.54 H new ATOM 0 HB3 TYR A 76 -3.468 -9.344 -2.904 1.00 61.54 H new ATOM 0 HD1 TYR A 76 -3.716 -11.711 -5.820 1.00 51.42 H new ATOM 0 HD2 TYR A 76 -1.386 -10.380 -2.503 1.00 1.41 H new ATOM 0 HE1 TYR A 76 -1.908 -13.234 -6.481 1.00 71.34 H new ATOM 0 HE2 TYR A 76 0.428 -11.898 -3.173 1.00 62.24 H new ATOM 0 HH TYR A 76 1.140 -13.420 -4.634 1.00 52.23 H new ATOM 1141 N VAL A 77 -5.082 -10.814 -0.790 1.00 43.23 N ATOM 1142 CA VAL A 77 -4.862 -11.449 0.518 1.00 42.14 C ATOM 1143 C VAL A 77 -5.678 -12.749 0.669 1.00 3.41 C ATOM 1144 O VAL A 77 -5.232 -13.707 1.305 1.00 44.51 O ATOM 1145 CB VAL A 77 -5.199 -10.483 1.685 1.00 0.35 C ATOM 1146 CG1 VAL A 77 -6.676 -10.102 1.683 1.00 74.31 C ATOM 1147 CG2 VAL A 77 -4.800 -11.089 3.025 1.00 4.24 C ATOM 0 H VAL A 77 -5.429 -9.856 -0.741 1.00 43.23 H new ATOM 0 HA VAL A 77 -3.802 -11.699 0.565 1.00 42.14 H new ATOM 0 HB VAL A 77 -4.620 -9.572 1.536 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -6.878 -9.425 2.513 1.00 74.31 H new ATOM 0 HG12 VAL A 77 -6.923 -9.608 0.743 1.00 74.31 H new ATOM 0 HG13 VAL A 77 -7.284 -11.000 1.792 1.00 74.31 H new ATOM 0 HG21 VAL A 77 -5.046 -10.393 3.827 1.00 4.24 H new ATOM 0 HG22 VAL A 77 -5.340 -12.024 3.177 1.00 4.24 H new ATOM 0 HG23 VAL A 77 -3.728 -11.285 3.031 1.00 4.24 H new ATOM 1157 N ASP A 78 -6.859 -12.784 0.056 1.00 5.21 N ATOM 1158 CA ASP A 78 -7.717 -13.972 0.088 1.00 3.41 C ATOM 1159 C ASP A 78 -7.106 -15.115 -0.747 1.00 32.20 C ATOM 1160 O ASP A 78 -7.383 -16.292 -0.511 1.00 54.54 O ATOM 1161 CB ASP A 78 -9.117 -13.603 -0.433 1.00 13.11 C ATOM 1162 CG ASP A 78 -10.140 -14.716 -0.253 1.00 2.14 C ATOM 1163 OD1 ASP A 78 -10.539 -14.980 0.901 1.00 53.22 O ATOM 1164 OD2 ASP A 78 -10.572 -15.314 -1.264 1.00 73.42 O ATOM 0 H ASP A 78 -7.247 -12.002 -0.471 1.00 5.21 H new ATOM 0 HA ASP A 78 -7.799 -14.324 1.116 1.00 3.41 H new ATOM 0 HB2 ASP A 78 -9.466 -12.711 0.086 1.00 13.11 H new ATOM 0 HB3 ASP A 78 -9.048 -13.350 -1.491 1.00 13.11 H new ATOM 1169 N CYS A 79 -6.255 -14.756 -1.710 1.00 25.21 N ATOM 1170 CA CYS A 79 -5.646 -15.734 -2.629 1.00 43.41 C ATOM 1171 C CYS A 79 -4.205 -16.108 -2.221 1.00 75.42 C ATOM 1172 O CYS A 79 -3.583 -16.971 -2.847 1.00 3.53 O ATOM 1173 CB CYS A 79 -5.653 -15.174 -4.060 1.00 34.03 C ATOM 1174 SG CYS A 79 -5.050 -16.325 -5.321 1.00 63.33 S ATOM 0 H CYS A 79 -5.968 -13.792 -1.878 1.00 25.21 H new ATOM 0 HA CYS A 79 -6.243 -16.644 -2.579 1.00 43.41 H new ATOM 0 HB2 CYS A 79 -6.670 -14.876 -4.315 1.00 34.03 H new ATOM 0 HB3 CYS A 79 -5.041 -14.273 -4.087 1.00 34.03 H new ATOM 0 HG CYS A 79 -4.166 -17.120 -4.796 1.00 63.33 H new ATOM 1180 N ILE A 80 -3.673 -15.467 -1.175 1.00 55.12 N ATOM 1181 CA ILE A 80 -2.304 -15.756 -0.704 1.00 4.03 C ATOM 1182 C ILE A 80 -2.200 -17.159 -0.066 1.00 61.04 C ATOM 1183 O ILE A 80 -2.904 -17.466 0.902 1.00 51.45 O ATOM 1184 CB ILE A 80 -1.805 -14.691 0.314 1.00 41.34 C ATOM 1185 CG1 ILE A 80 -1.742 -13.301 -0.343 1.00 21.53 C ATOM 1186 CG2 ILE A 80 -0.434 -15.078 0.876 1.00 3.12 C ATOM 1187 CD1 ILE A 80 -1.230 -12.204 0.574 1.00 41.33 C ATOM 0 H ILE A 80 -4.161 -14.749 -0.639 1.00 55.12 H new ATOM 0 HA ILE A 80 -1.667 -15.723 -1.588 1.00 4.03 H new ATOM 0 HB ILE A 80 -2.516 -14.652 1.139 1.00 41.34 H new ATOM 0 HG12 ILE A 80 -1.099 -13.355 -1.221 1.00 21.53 H new ATOM 0 HG13 ILE A 80 -2.738 -13.031 -0.693 1.00 21.53 H new ATOM 0 HG21 ILE A 80 -0.104 -14.319 1.586 1.00 3.12 H new ATOM 0 HG22 ILE A 80 -0.507 -16.041 1.382 1.00 3.12 H new ATOM 0 HG23 ILE A 80 0.286 -15.150 0.061 1.00 3.12 H new ATOM 0 HD11 ILE A 80 -1.216 -11.256 0.035 1.00 41.33 H new ATOM 0 HD12 ILE A 80 -1.885 -12.119 1.441 1.00 41.33 H new ATOM 0 HD13 ILE A 80 -0.220 -12.448 0.905 1.00 41.33 H new ATOM 1199 N PRO A 81 -1.309 -18.027 -0.600 1.00 51.40 N ATOM 1200 CA PRO A 81 -1.141 -19.412 -0.110 1.00 3.32 C ATOM 1201 C PRO A 81 -0.340 -19.520 1.207 1.00 60.12 C ATOM 1202 O PRO A 81 -0.467 -20.503 1.938 1.00 71.44 O ATOM 1203 CB PRO A 81 -0.376 -20.084 -1.259 1.00 3.31 C ATOM 1204 CG PRO A 81 0.429 -18.982 -1.863 1.00 51.22 C ATOM 1205 CD PRO A 81 -0.414 -17.737 -1.743 1.00 2.03 C ATOM 0 HA PRO A 81 -2.101 -19.868 0.132 1.00 3.32 H new ATOM 0 HB2 PRO A 81 0.262 -20.889 -0.894 1.00 3.31 H new ATOM 0 HB3 PRO A 81 -1.058 -20.523 -1.987 1.00 3.31 H new ATOM 0 HG2 PRO A 81 1.379 -18.862 -1.342 1.00 51.22 H new ATOM 0 HG3 PRO A 81 0.663 -19.196 -2.906 1.00 51.22 H new ATOM 0 HD2 PRO A 81 0.199 -16.855 -1.558 1.00 2.03 H new ATOM 0 HD3 PRO A 81 -0.979 -17.547 -2.656 1.00 2.03 H new ATOM 1213 N GLN A 82 0.488 -18.517 1.503 1.00 0.43 N ATOM 1214 CA GLN A 82 1.323 -18.531 2.716 1.00 54.04 C ATOM 1215 C GLN A 82 0.775 -17.591 3.801 1.00 32.53 C ATOM 1216 O GLN A 82 0.664 -16.385 3.584 1.00 53.33 O ATOM 1217 CB GLN A 82 2.765 -18.133 2.364 1.00 41.32 C ATOM 1218 CG GLN A 82 3.536 -19.209 1.607 1.00 55.41 C ATOM 1219 CD GLN A 82 5.019 -18.899 1.502 1.00 11.02 C ATOM 1220 OE1 GLN A 82 5.813 -19.301 2.347 1.00 12.12 O ATOM 1221 NE2 GLN A 82 5.404 -18.178 0.473 1.00 42.05 N ATOM 0 H GLN A 82 0.602 -17.685 0.924 1.00 0.43 H new ATOM 0 HA GLN A 82 1.306 -19.545 3.115 1.00 54.04 H new ATOM 0 HB2 GLN A 82 2.744 -17.224 1.763 1.00 41.32 H new ATOM 0 HB3 GLN A 82 3.300 -17.895 3.283 1.00 41.32 H new ATOM 0 HG2 GLN A 82 3.403 -20.167 2.109 1.00 55.41 H new ATOM 0 HG3 GLN A 82 3.118 -19.314 0.606 1.00 55.41 H new ATOM 0 HE21 GLN A 82 4.718 -17.860 -0.212 1.00 42.05 H new ATOM 0 HE22 GLN A 82 6.389 -17.937 0.359 1.00 42.05 H new ATOM 1230 N THR A 83 0.453 -18.141 4.974 1.00 32.10 N ATOM 1231 CA THR A 83 -0.060 -17.331 6.089 1.00 34.44 C ATOM 1232 C THR A 83 0.994 -16.341 6.606 1.00 54.13 C ATOM 1233 O THR A 83 0.662 -15.212 6.965 1.00 63.15 O ATOM 1234 CB THR A 83 -0.553 -18.201 7.270 1.00 45.12 C ATOM 1235 OG1 THR A 83 -1.549 -19.134 6.818 1.00 22.32 O ATOM 1236 CG2 THR A 83 -1.144 -17.329 8.378 1.00 71.23 C ATOM 0 H THR A 83 0.536 -19.137 5.179 1.00 32.10 H new ATOM 0 HA THR A 83 -0.907 -16.777 5.685 1.00 34.44 H new ATOM 0 HB THR A 83 0.304 -18.746 7.667 1.00 45.12 H new ATOM 0 HG1 THR A 83 -1.852 -19.680 7.573 1.00 22.32 H new ATOM 0 HG21 THR A 83 -1.484 -17.962 9.197 1.00 71.23 H new ATOM 0 HG22 THR A 83 -0.383 -16.640 8.744 1.00 71.23 H new ATOM 0 HG23 THR A 83 -1.987 -16.762 7.984 1.00 71.23 H new ATOM 1244 N ARG A 84 2.264 -16.763 6.643 1.00 45.33 N ATOM 1245 CA ARG A 84 3.366 -15.860 7.021 1.00 13.05 C ATOM 1246 C ARG A 84 3.311 -14.565 6.200 1.00 61.21 C ATOM 1247 O ARG A 84 3.314 -13.460 6.744 1.00 50.11 O ATOM 1248 CB ARG A 84 4.729 -16.542 6.810 1.00 24.12 C ATOM 1249 CG ARG A 84 5.035 -17.667 7.793 1.00 45.42 C ATOM 1250 CD ARG A 84 5.100 -17.160 9.231 1.00 51.10 C ATOM 1251 NE ARG A 84 5.648 -18.160 10.142 1.00 43.13 N ATOM 1252 CZ ARG A 84 5.335 -18.247 11.407 1.00 21.42 C ATOM 1253 NH1 ARG A 84 4.414 -17.492 11.915 1.00 22.03 N ATOM 1254 NH2 ARG A 84 5.942 -19.100 12.159 1.00 44.23 N ATOM 0 H ARG A 84 2.556 -17.714 6.419 1.00 45.33 H new ATOM 0 HA ARG A 84 3.250 -15.619 8.078 1.00 13.05 H new ATOM 0 HB2 ARG A 84 4.767 -16.942 5.797 1.00 24.12 H new ATOM 0 HB3 ARG A 84 5.513 -15.788 6.885 1.00 24.12 H new ATOM 0 HG2 ARG A 84 4.268 -18.438 7.714 1.00 45.42 H new ATOM 0 HG3 ARG A 84 5.984 -18.133 7.528 1.00 45.42 H new ATOM 0 HD2 ARG A 84 5.713 -16.260 9.270 1.00 51.10 H new ATOM 0 HD3 ARG A 84 4.100 -16.879 9.561 1.00 51.10 H new ATOM 0 HE ARG A 84 6.317 -18.833 9.767 1.00 43.13 H new ATOM 0 HH11 ARG A 84 3.923 -16.819 11.326 1.00 22.03 H new ATOM 0 HH12 ARG A 84 4.179 -17.570 12.905 1.00 22.03 H new ATOM 0 HH21 ARG A 84 6.664 -19.704 11.766 1.00 44.23 H new ATOM 0 HH22 ARG A 84 5.701 -19.171 13.147 1.00 44.23 H new ATOM 1268 N ASN A 85 3.255 -14.726 4.882 1.00 4.41 N ATOM 1269 CA ASN A 85 3.124 -13.599 3.960 1.00 41.33 C ATOM 1270 C ASN A 85 1.782 -12.878 4.149 1.00 20.15 C ATOM 1271 O ASN A 85 1.731 -11.656 4.195 1.00 71.30 O ATOM 1272 CB ASN A 85 3.245 -14.100 2.519 1.00 24.25 C ATOM 1273 CG ASN A 85 4.593 -14.736 2.251 1.00 12.12 C ATOM 1274 OD1 ASN A 85 4.810 -15.905 2.540 1.00 15.23 O ATOM 1275 ND2 ASN A 85 5.502 -13.977 1.687 1.00 62.42 N ATOM 0 H ASN A 85 3.299 -15.636 4.423 1.00 4.41 H new ATOM 0 HA ASN A 85 3.922 -12.888 4.172 1.00 41.33 H new ATOM 0 HB2 ASN A 85 2.456 -14.825 2.320 1.00 24.25 H new ATOM 0 HB3 ASN A 85 3.094 -13.268 1.832 1.00 24.25 H new ATOM 0 HD21 ASN A 85 6.424 -14.357 1.476 1.00 62.42 H new ATOM 0 HD22 ASN A 85 5.286 -13.006 1.460 1.00 62.42 H new ATOM 1282 N LYS A 86 0.707 -13.653 4.275 1.00 70.42 N ATOM 1283 CA LYS A 86 -0.651 -13.104 4.368 1.00 35.41 C ATOM 1284 C LYS A 86 -0.817 -12.159 5.571 1.00 43.30 C ATOM 1285 O LYS A 86 -1.319 -11.042 5.430 1.00 52.45 O ATOM 1286 CB LYS A 86 -1.668 -14.248 4.454 1.00 73.12 C ATOM 1287 CG LYS A 86 -3.118 -13.792 4.378 1.00 54.20 C ATOM 1288 CD LYS A 86 -4.083 -14.971 4.355 1.00 0.42 C ATOM 1289 CE LYS A 86 -4.082 -15.746 5.667 1.00 23.22 C ATOM 1290 NZ LYS A 86 -4.924 -16.968 5.582 1.00 4.23 N ATOM 0 H LYS A 86 0.748 -14.671 4.316 1.00 70.42 H new ATOM 0 HA LYS A 86 -0.830 -12.516 3.468 1.00 35.41 H new ATOM 0 HB2 LYS A 86 -1.476 -14.953 3.645 1.00 73.12 H new ATOM 0 HB3 LYS A 86 -1.516 -14.787 5.389 1.00 73.12 H new ATOM 0 HG2 LYS A 86 -3.344 -13.155 5.233 1.00 54.20 H new ATOM 0 HG3 LYS A 86 -3.262 -13.187 3.483 1.00 54.20 H new ATOM 0 HD2 LYS A 86 -5.091 -14.609 4.151 1.00 0.42 H new ATOM 0 HD3 LYS A 86 -3.814 -15.642 3.539 1.00 0.42 H new ATOM 0 HE2 LYS A 86 -3.060 -16.025 5.925 1.00 23.22 H new ATOM 0 HE3 LYS A 86 -4.449 -15.105 6.469 1.00 23.22 H new ATOM 0 HZ1 LYS A 86 -4.900 -17.470 6.492 1.00 4.23 H new ATOM 0 HZ2 LYS A 86 -5.904 -16.700 5.361 1.00 4.23 H new ATOM 0 HZ3 LYS A 86 -4.558 -17.590 4.833 1.00 4.23 H new ATOM 1304 N PHE A 87 -0.392 -12.605 6.749 1.00 51.20 N ATOM 1305 CA PHE A 87 -0.507 -11.792 7.962 1.00 41.42 C ATOM 1306 C PHE A 87 0.425 -10.571 7.893 1.00 61.44 C ATOM 1307 O PHE A 87 0.000 -9.440 8.141 1.00 41.14 O ATOM 1308 CB PHE A 87 -0.193 -12.631 9.208 1.00 73.11 C ATOM 1309 CG PHE A 87 -0.519 -11.922 10.498 1.00 34.24 C ATOM 1310 CD1 PHE A 87 -1.807 -11.957 11.012 1.00 73.42 C ATOM 1311 CD2 PHE A 87 0.453 -11.213 11.189 1.00 53.44 C ATOM 1312 CE1 PHE A 87 -2.116 -11.302 12.188 1.00 41.12 C ATOM 1313 CE2 PHE A 87 0.147 -10.556 12.366 1.00 13.03 C ATOM 1314 CZ PHE A 87 -1.139 -10.600 12.865 1.00 51.01 C ATOM 0 H PHE A 87 0.034 -13.521 6.893 1.00 51.20 H new ATOM 0 HA PHE A 87 -1.535 -11.436 8.033 1.00 41.42 H new ATOM 0 HB2 PHE A 87 -0.755 -13.564 9.161 1.00 73.11 H new ATOM 0 HB3 PHE A 87 0.864 -12.895 9.203 1.00 73.11 H new ATOM 0 HD1 PHE A 87 -2.577 -12.503 10.487 1.00 73.42 H new ATOM 0 HD2 PHE A 87 1.461 -11.174 10.803 1.00 53.44 H new ATOM 0 HE1 PHE A 87 -3.122 -11.339 12.578 1.00 41.12 H new ATOM 0 HE2 PHE A 87 0.913 -10.009 12.895 1.00 13.03 H new ATOM 0 HZ PHE A 87 -1.381 -10.086 13.784 1.00 51.01 H new ATOM 1324 N ALA A 88 1.694 -10.811 7.546 1.00 61.32 N ATOM 1325 CA ALA A 88 2.671 -9.724 7.377 1.00 2.42 C ATOM 1326 C ALA A 88 2.219 -8.727 6.296 1.00 21.25 C ATOM 1327 O ALA A 88 2.578 -7.546 6.325 1.00 3.25 O ATOM 1328 CB ALA A 88 4.042 -10.298 7.035 1.00 53.33 C ATOM 0 H ALA A 88 2.070 -11.744 7.377 1.00 61.32 H new ATOM 0 HA ALA A 88 2.739 -9.182 8.320 1.00 2.42 H new ATOM 0 HB1 ALA A 88 4.757 -9.484 6.912 1.00 53.33 H new ATOM 0 HB2 ALA A 88 4.373 -10.954 7.840 1.00 53.33 H new ATOM 0 HB3 ALA A 88 3.977 -10.867 6.108 1.00 53.33 H new ATOM 1334 N PHE A 89 1.426 -9.228 5.353 1.00 41.33 N ATOM 1335 CA PHE A 89 0.840 -8.412 4.290 1.00 24.02 C ATOM 1336 C PHE A 89 -0.282 -7.516 4.838 1.00 32.12 C ATOM 1337 O PHE A 89 -0.253 -6.299 4.672 1.00 11.25 O ATOM 1338 CB PHE A 89 0.297 -9.340 3.193 1.00 14.45 C ATOM 1339 CG PHE A 89 -0.276 -8.642 1.989 1.00 42.33 C ATOM 1340 CD1 PHE A 89 0.556 -8.156 0.990 1.00 64.33 C ATOM 1341 CD2 PHE A 89 -1.649 -8.491 1.844 1.00 34.51 C ATOM 1342 CE1 PHE A 89 0.031 -7.533 -0.124 1.00 53.24 C ATOM 1343 CE2 PHE A 89 -2.174 -7.871 0.729 1.00 42.12 C ATOM 1344 CZ PHE A 89 -1.333 -7.393 -0.255 1.00 43.54 C ATOM 0 H PHE A 89 1.170 -10.214 5.303 1.00 41.33 H new ATOM 0 HA PHE A 89 1.609 -7.760 3.874 1.00 24.02 H new ATOM 0 HB2 PHE A 89 1.102 -9.997 2.863 1.00 14.45 H new ATOM 0 HB3 PHE A 89 -0.475 -9.976 3.626 1.00 14.45 H new ATOM 0 HD1 PHE A 89 1.626 -8.267 1.085 1.00 64.33 H new ATOM 0 HD2 PHE A 89 -2.312 -8.862 2.611 1.00 34.51 H new ATOM 0 HE1 PHE A 89 0.689 -7.155 -0.893 1.00 53.24 H new ATOM 0 HE2 PHE A 89 -3.243 -7.760 0.626 1.00 42.12 H new ATOM 0 HZ PHE A 89 -1.744 -6.909 -1.128 1.00 43.54 H new ATOM 1354 N ARG A 90 -1.266 -8.123 5.510 1.00 3.13 N ATOM 1355 CA ARG A 90 -2.419 -7.373 6.028 1.00 3.22 C ATOM 1356 C ARG A 90 -2.033 -6.351 7.104 1.00 22.22 C ATOM 1357 O ARG A 90 -2.603 -5.267 7.142 1.00 64.41 O ATOM 1358 CB ARG A 90 -3.513 -8.317 6.555 1.00 31.41 C ATOM 1359 CG ARG A 90 -4.567 -8.670 5.511 1.00 60.04 C ATOM 1360 CD ARG A 90 -5.296 -7.424 5.000 1.00 10.32 C ATOM 1361 NE ARG A 90 -6.006 -6.721 6.070 1.00 12.13 N ATOM 1362 CZ ARG A 90 -6.321 -5.446 6.047 1.00 73.12 C ATOM 1363 NH1 ARG A 90 -5.985 -4.689 5.049 1.00 45.31 N ATOM 1364 NH2 ARG A 90 -6.974 -4.926 7.032 1.00 71.44 N ATOM 0 H ARG A 90 -1.289 -9.123 5.708 1.00 3.13 H new ATOM 0 HA ARG A 90 -2.817 -6.813 5.181 1.00 3.22 H new ATOM 0 HB2 ARG A 90 -3.048 -9.235 6.914 1.00 31.41 H new ATOM 0 HB3 ARG A 90 -4.002 -7.851 7.411 1.00 31.41 H new ATOM 0 HG2 ARG A 90 -4.093 -9.183 4.674 1.00 60.04 H new ATOM 0 HG3 ARG A 90 -5.289 -9.363 5.943 1.00 60.04 H new ATOM 0 HD2 ARG A 90 -4.576 -6.748 4.538 1.00 10.32 H new ATOM 0 HD3 ARG A 90 -6.005 -7.713 4.224 1.00 10.32 H new ATOM 0 HE ARG A 90 -6.276 -7.260 6.893 1.00 12.13 H new ATOM 0 HH11 ARG A 90 -5.467 -5.081 4.263 1.00 45.31 H new ATOM 0 HH12 ARG A 90 -6.239 -3.701 5.050 1.00 45.31 H new ATOM 0 HH21 ARG A 90 -7.245 -5.505 7.827 1.00 71.44 H new ATOM 0 HH22 ARG A 90 -7.219 -3.936 7.015 1.00 71.44 H new ATOM 1378 N GLU A 91 -1.086 -6.683 7.979 1.00 25.11 N ATOM 1379 CA GLU A 91 -0.632 -5.715 8.990 1.00 65.04 C ATOM 1380 C GLU A 91 -0.039 -4.468 8.312 1.00 22.24 C ATOM 1381 O GLU A 91 -0.252 -3.340 8.759 1.00 24.24 O ATOM 1382 CB GLU A 91 0.390 -6.345 9.953 1.00 74.44 C ATOM 1383 CG GLU A 91 1.680 -6.814 9.289 1.00 60.55 C ATOM 1384 CD GLU A 91 2.695 -7.355 10.286 1.00 10.44 C ATOM 1385 OE1 GLU A 91 2.494 -8.471 10.809 1.00 44.01 O ATOM 1386 OE2 GLU A 91 3.709 -6.667 10.547 1.00 63.41 O ATOM 0 H GLU A 91 -0.624 -7.592 8.014 1.00 25.11 H new ATOM 0 HA GLU A 91 -1.499 -5.415 9.578 1.00 65.04 H new ATOM 0 HB2 GLU A 91 0.638 -5.618 10.726 1.00 74.44 H new ATOM 0 HB3 GLU A 91 -0.076 -7.194 10.452 1.00 74.44 H new ATOM 0 HG2 GLU A 91 1.446 -7.589 8.559 1.00 60.55 H new ATOM 0 HG3 GLU A 91 2.124 -5.983 8.741 1.00 60.55 H new ATOM 1393 N ALA A 92 0.678 -4.681 7.208 1.00 41.54 N ATOM 1394 CA ALA A 92 1.250 -3.583 6.426 1.00 23.52 C ATOM 1395 C ALA A 92 0.158 -2.802 5.672 1.00 22.20 C ATOM 1396 O ALA A 92 0.201 -1.573 5.590 1.00 24.12 O ATOM 1397 CB ALA A 92 2.300 -4.118 5.459 1.00 12.12 C ATOM 0 H ALA A 92 0.877 -5.608 6.833 1.00 41.54 H new ATOM 0 HA ALA A 92 1.730 -2.889 7.116 1.00 23.52 H new ATOM 0 HB1 ALA A 92 2.718 -3.293 4.883 1.00 12.12 H new ATOM 0 HB2 ALA A 92 3.095 -4.608 6.020 1.00 12.12 H new ATOM 0 HB3 ALA A 92 1.838 -4.836 4.781 1.00 12.12 H new ATOM 1403 N VAL A 93 -0.824 -3.522 5.127 1.00 41.14 N ATOM 1404 CA VAL A 93 -1.951 -2.888 4.429 1.00 42.11 C ATOM 1405 C VAL A 93 -2.824 -2.073 5.399 1.00 32.11 C ATOM 1406 O VAL A 93 -3.272 -0.979 5.066 1.00 13.34 O ATOM 1407 CB VAL A 93 -2.833 -3.926 3.690 1.00 21.24 C ATOM 1408 CG1 VAL A 93 -4.027 -3.252 3.011 1.00 54.41 C ATOM 1409 CG2 VAL A 93 -2.003 -4.701 2.670 1.00 2.31 C ATOM 0 H VAL A 93 -0.865 -4.541 5.154 1.00 41.14 H new ATOM 0 HA VAL A 93 -1.516 -2.216 3.689 1.00 42.11 H new ATOM 0 HB VAL A 93 -3.220 -4.627 4.429 1.00 21.24 H new ATOM 0 HG11 VAL A 93 -4.628 -4.005 2.501 1.00 54.41 H new ATOM 0 HG12 VAL A 93 -4.636 -2.749 3.762 1.00 54.41 H new ATOM 0 HG13 VAL A 93 -3.668 -2.521 2.286 1.00 54.41 H new ATOM 0 HG21 VAL A 93 -2.637 -5.426 2.160 1.00 2.31 H new ATOM 0 HG22 VAL A 93 -1.584 -4.008 1.940 1.00 2.31 H new ATOM 0 HG23 VAL A 93 -1.194 -5.223 3.181 1.00 2.31 H new ATOM 1419 N SER A 94 -3.058 -2.613 6.597 1.00 0.32 N ATOM 1420 CA SER A 94 -3.795 -1.889 7.645 1.00 3.44 C ATOM 1421 C SER A 94 -3.123 -0.543 7.931 1.00 43.12 C ATOM 1422 O SER A 94 -3.783 0.493 8.003 1.00 44.21 O ATOM 1423 CB SER A 94 -3.877 -2.718 8.938 1.00 51.01 C ATOM 1424 OG SER A 94 -4.564 -3.945 8.730 1.00 72.43 O ATOM 0 H SER A 94 -2.750 -3.547 6.869 1.00 0.32 H new ATOM 0 HA SER A 94 -4.809 -1.715 7.284 1.00 3.44 H new ATOM 0 HB2 SER A 94 -2.871 -2.921 9.305 1.00 51.01 H new ATOM 0 HB3 SER A 94 -4.387 -2.141 9.709 1.00 51.01 H new ATOM 0 HG SER A 94 -4.006 -4.546 8.194 1.00 72.43 H new ATOM 1430 N LYS A 95 -1.802 -0.574 8.076 1.00 51.41 N ATOM 1431 CA LYS A 95 -1.004 0.646 8.223 1.00 64.31 C ATOM 1432 C LYS A 95 -1.245 1.613 7.049 1.00 42.33 C ATOM 1433 O LYS A 95 -1.489 2.802 7.251 1.00 35.04 O ATOM 1434 CB LYS A 95 0.486 0.278 8.302 1.00 15.20 C ATOM 1435 CG LYS A 95 0.871 -0.494 9.566 1.00 42.41 C ATOM 1436 CD LYS A 95 2.189 -1.252 9.395 1.00 31.43 C ATOM 1437 CE LYS A 95 3.347 -0.339 8.998 1.00 21.10 C ATOM 1438 NZ LYS A 95 3.711 0.609 10.083 1.00 50.51 N ATOM 0 H LYS A 95 -1.255 -1.435 8.095 1.00 51.41 H new ATOM 0 HA LYS A 95 -1.308 1.149 9.141 1.00 64.31 H new ATOM 0 HB2 LYS A 95 0.749 -0.320 7.429 1.00 15.20 H new ATOM 0 HB3 LYS A 95 1.078 1.192 8.252 1.00 15.20 H new ATOM 0 HG2 LYS A 95 0.958 0.200 10.402 1.00 42.41 H new ATOM 0 HG3 LYS A 95 0.078 -1.198 9.817 1.00 42.41 H new ATOM 0 HD2 LYS A 95 2.435 -1.759 10.328 1.00 31.43 H new ATOM 0 HD3 LYS A 95 2.064 -2.024 8.636 1.00 31.43 H new ATOM 0 HE2 LYS A 95 4.215 -0.946 8.742 1.00 21.10 H new ATOM 0 HE3 LYS A 95 3.075 0.222 8.104 1.00 21.10 H new ATOM 0 HZ1 LYS A 95 4.501 1.209 9.770 1.00 50.51 H new ATOM 0 HZ2 LYS A 95 2.891 1.207 10.311 1.00 50.51 H new ATOM 0 HZ3 LYS A 95 3.996 0.075 10.929 1.00 50.51 H new ATOM 1452 N LEU A 96 -1.200 1.084 5.826 1.00 45.44 N ATOM 1453 CA LEU A 96 -1.392 1.898 4.619 1.00 14.42 C ATOM 1454 C LEU A 96 -2.779 2.567 4.588 1.00 11.13 C ATOM 1455 O LEU A 96 -2.883 3.783 4.430 1.00 73.32 O ATOM 1456 CB LEU A 96 -1.213 1.027 3.367 1.00 13.35 C ATOM 1457 CG LEU A 96 -1.394 1.754 2.019 1.00 75.13 C ATOM 1458 CD1 LEU A 96 -0.317 2.820 1.825 1.00 31.02 C ATOM 1459 CD2 LEU A 96 -1.392 0.758 0.859 1.00 41.13 C ATOM 0 H LEU A 96 -1.032 0.095 5.642 1.00 45.44 H new ATOM 0 HA LEU A 96 -0.641 2.688 4.634 1.00 14.42 H new ATOM 0 HB2 LEU A 96 -0.216 0.587 3.391 1.00 13.35 H new ATOM 0 HB3 LEU A 96 -1.926 0.204 3.414 1.00 13.35 H new ATOM 0 HG LEU A 96 -2.363 2.254 2.033 1.00 75.13 H new ATOM 0 HD11 LEU A 96 -0.467 3.318 0.867 1.00 31.02 H new ATOM 0 HD12 LEU A 96 -0.381 3.553 2.629 1.00 31.02 H new ATOM 0 HD13 LEU A 96 0.667 2.350 1.840 1.00 31.02 H new ATOM 0 HD21 LEU A 96 -1.521 1.294 -0.081 1.00 41.13 H new ATOM 0 HD22 LEU A 96 -0.444 0.220 0.843 1.00 41.13 H new ATOM 0 HD23 LEU A 96 -2.209 0.048 0.987 1.00 41.13 H new ATOM 1471 N GLU A 97 -3.840 1.774 4.760 1.00 61.44 N ATOM 1472 CA GLU A 97 -5.215 2.294 4.677 1.00 12.01 C ATOM 1473 C GLU A 97 -5.526 3.279 5.817 1.00 30.25 C ATOM 1474 O GLU A 97 -6.199 4.294 5.605 1.00 51.53 O ATOM 1475 CB GLU A 97 -6.237 1.144 4.664 1.00 53.45 C ATOM 1476 CG GLU A 97 -6.164 0.222 5.877 1.00 3.31 C ATOM 1477 CD GLU A 97 -7.224 -0.869 5.852 1.00 31.12 C ATOM 1478 OE1 GLU A 97 -8.372 -0.592 6.266 1.00 22.11 O ATOM 1479 OE2 GLU A 97 -6.919 -2.011 5.427 1.00 40.02 O ATOM 0 H GLU A 97 -3.778 0.775 4.957 1.00 61.44 H new ATOM 0 HA GLU A 97 -5.295 2.842 3.738 1.00 12.01 H new ATOM 0 HB2 GLU A 97 -7.240 1.566 4.604 1.00 53.45 H new ATOM 0 HB3 GLU A 97 -6.086 0.551 3.762 1.00 53.45 H new ATOM 0 HG2 GLU A 97 -5.177 -0.238 5.919 1.00 3.31 H new ATOM 0 HG3 GLU A 97 -6.279 0.814 6.785 1.00 3.31 H new ATOM 1486 N LEU A 98 -5.029 2.986 7.019 1.00 34.22 N ATOM 1487 CA LEU A 98 -5.202 3.885 8.166 1.00 32.01 C ATOM 1488 C LEU A 98 -4.409 5.188 7.974 1.00 42.24 C ATOM 1489 O LEU A 98 -4.883 6.273 8.321 1.00 31.21 O ATOM 1490 CB LEU A 98 -4.782 3.186 9.469 1.00 33.41 C ATOM 1491 CG LEU A 98 -5.665 1.994 9.887 1.00 52.43 C ATOM 1492 CD1 LEU A 98 -5.138 1.350 11.166 1.00 34.44 C ATOM 1493 CD2 LEU A 98 -7.120 2.427 10.063 1.00 21.24 C ATOM 0 H LEU A 98 -4.504 2.136 7.226 1.00 34.22 H new ATOM 0 HA LEU A 98 -6.259 4.141 8.235 1.00 32.01 H new ATOM 0 HB2 LEU A 98 -3.755 2.837 9.361 1.00 33.41 H new ATOM 0 HB3 LEU A 98 -4.786 3.921 10.274 1.00 33.41 H new ATOM 0 HG LEU A 98 -5.626 1.252 9.090 1.00 52.43 H new ATOM 0 HD11 LEU A 98 -5.777 0.511 11.441 1.00 34.44 H new ATOM 0 HD12 LEU A 98 -4.122 0.993 11.001 1.00 34.44 H new ATOM 0 HD13 LEU A 98 -5.138 2.085 11.970 1.00 34.44 H new ATOM 0 HD21 LEU A 98 -7.722 1.568 10.358 1.00 21.24 H new ATOM 0 HD22 LEU A 98 -7.180 3.194 10.835 1.00 21.24 H new ATOM 0 HD23 LEU A 98 -7.497 2.828 9.122 1.00 21.24 H new ATOM 1505 N SER A 99 -3.207 5.081 7.409 1.00 5.55 N ATOM 1506 CA SER A 99 -2.392 6.266 7.117 1.00 23.55 C ATOM 1507 C SER A 99 -2.979 7.081 5.954 1.00 32.32 C ATOM 1508 O SER A 99 -2.824 8.301 5.902 1.00 14.23 O ATOM 1509 CB SER A 99 -0.937 5.878 6.818 1.00 0.40 C ATOM 1510 OG SER A 99 -0.311 5.317 7.965 1.00 21.22 O ATOM 0 H SER A 99 -2.776 4.195 7.145 1.00 5.55 H new ATOM 0 HA SER A 99 -2.404 6.893 8.008 1.00 23.55 H new ATOM 0 HB2 SER A 99 -0.910 5.161 5.998 1.00 0.40 H new ATOM 0 HB3 SER A 99 -0.383 6.758 6.491 1.00 0.40 H new ATOM 0 HG SER A 99 -0.534 4.365 8.026 1.00 21.22 H new ATOM 1516 N LEU A 100 -3.660 6.412 5.026 1.00 64.33 N ATOM 1517 CA LEU A 100 -4.359 7.106 3.936 1.00 14.04 C ATOM 1518 C LEU A 100 -5.517 7.963 4.470 1.00 63.11 C ATOM 1519 O LEU A 100 -5.697 9.110 4.050 1.00 34.01 O ATOM 1520 CB LEU A 100 -4.890 6.104 2.897 1.00 54.31 C ATOM 1521 CG LEU A 100 -3.819 5.439 2.013 1.00 11.34 C ATOM 1522 CD1 LEU A 100 -4.448 4.394 1.096 1.00 42.32 C ATOM 1523 CD2 LEU A 100 -3.064 6.485 1.191 1.00 71.43 C ATOM 0 H LEU A 100 -3.745 5.396 5.003 1.00 64.33 H new ATOM 0 HA LEU A 100 -3.635 7.764 3.455 1.00 14.04 H new ATOM 0 HB2 LEU A 100 -5.442 5.323 3.420 1.00 54.31 H new ATOM 0 HB3 LEU A 100 -5.601 6.619 2.251 1.00 54.31 H new ATOM 0 HG LEU A 100 -3.106 4.939 2.668 1.00 11.34 H new ATOM 0 HD11 LEU A 100 -3.673 3.937 0.480 1.00 42.32 H new ATOM 0 HD12 LEU A 100 -4.933 3.626 1.698 1.00 42.32 H new ATOM 0 HD13 LEU A 100 -5.187 4.872 0.453 1.00 42.32 H new ATOM 0 HD21 LEU A 100 -2.313 5.991 0.575 1.00 71.43 H new ATOM 0 HD22 LEU A 100 -3.765 7.019 0.550 1.00 71.43 H new ATOM 0 HD23 LEU A 100 -2.575 7.191 1.862 1.00 71.43 H new ATOM 1535 N GLN A 101 -6.298 7.412 5.400 1.00 31.24 N ATOM 1536 CA GLN A 101 -7.448 8.138 5.951 1.00 72.44 C ATOM 1537 C GLN A 101 -7.007 9.281 6.886 1.00 34.23 C ATOM 1538 O GLN A 101 -7.639 10.337 6.915 1.00 74.35 O ATOM 1539 CB GLN A 101 -8.417 7.185 6.670 1.00 54.02 C ATOM 1540 CG GLN A 101 -7.842 6.509 7.906 1.00 20.51 C ATOM 1541 CD GLN A 101 -8.844 5.604 8.600 1.00 4.01 C ATOM 1542 OE1 GLN A 101 -8.932 4.411 8.316 1.00 44.33 O ATOM 1543 NE2 GLN A 101 -9.622 6.165 9.502 1.00 11.24 N ATOM 0 H GLN A 101 -6.160 6.478 5.785 1.00 31.24 H new ATOM 0 HA GLN A 101 -7.977 8.587 5.110 1.00 72.44 H new ATOM 0 HB2 GLN A 101 -9.307 7.744 6.959 1.00 54.02 H new ATOM 0 HB3 GLN A 101 -8.737 6.416 5.967 1.00 54.02 H new ATOM 0 HG2 GLN A 101 -6.967 5.924 7.621 1.00 20.51 H new ATOM 0 HG3 GLN A 101 -7.501 7.271 8.607 1.00 20.51 H new ATOM 0 HE21 GLN A 101 -9.523 7.158 9.714 1.00 11.24 H new ATOM 0 HE22 GLN A 101 -10.324 5.607 9.988 1.00 11.24 H new ATOM 1552 N GLU A 102 -5.921 9.087 7.642 1.00 65.23 N ATOM 1553 CA GLU A 102 -5.379 10.179 8.465 1.00 50.43 C ATOM 1554 C GLU A 102 -4.771 11.270 7.566 1.00 21.14 C ATOM 1555 O GLU A 102 -4.802 12.452 7.900 1.00 51.12 O ATOM 1556 CB GLU A 102 -4.329 9.669 9.474 1.00 54.42 C ATOM 1557 CG GLU A 102 -2.984 9.307 8.853 1.00 71.25 C ATOM 1558 CD GLU A 102 -1.936 8.892 9.879 1.00 43.33 C ATOM 1559 OE1 GLU A 102 -1.227 9.774 10.407 1.00 25.33 O ATOM 1560 OE2 GLU A 102 -1.805 7.681 10.157 1.00 22.01 O ATOM 0 H GLU A 102 -5.409 8.207 7.703 1.00 65.23 H new ATOM 0 HA GLU A 102 -6.204 10.604 9.037 1.00 50.43 H new ATOM 0 HB2 GLU A 102 -4.171 10.435 10.234 1.00 54.42 H new ATOM 0 HB3 GLU A 102 -4.728 8.792 9.984 1.00 54.42 H new ATOM 0 HG2 GLU A 102 -3.128 8.494 8.142 1.00 71.25 H new ATOM 0 HG3 GLU A 102 -2.611 10.162 8.289 1.00 71.25 H new ATOM 1567 N LEU A 103 -4.231 10.858 6.418 1.00 44.11 N ATOM 1568 CA LEU A 103 -3.667 11.794 5.442 1.00 23.45 C ATOM 1569 C LEU A 103 -4.746 12.697 4.833 1.00 22.21 C ATOM 1570 O LEU A 103 -4.650 13.919 4.910 1.00 21.34 O ATOM 1571 CB LEU A 103 -2.951 11.032 4.318 1.00 32.10 C ATOM 1572 CG LEU A 103 -2.354 11.912 3.207 1.00 71.02 C ATOM 1573 CD1 LEU A 103 -1.235 12.800 3.751 1.00 13.11 C ATOM 1574 CD2 LEU A 103 -1.858 11.055 2.045 1.00 50.30 C ATOM 0 H LEU A 103 -4.172 9.878 6.140 1.00 44.11 H new ATOM 0 HA LEU A 103 -2.952 12.421 5.974 1.00 23.45 H new ATOM 0 HB2 LEU A 103 -2.151 10.437 4.757 1.00 32.10 H new ATOM 0 HB3 LEU A 103 -3.657 10.334 3.867 1.00 32.10 H new ATOM 0 HG LEU A 103 -3.143 12.564 2.833 1.00 71.02 H new ATOM 0 HD11 LEU A 103 -0.831 13.411 2.944 1.00 13.11 H new ATOM 0 HD12 LEU A 103 -1.632 13.447 4.533 1.00 13.11 H new ATOM 0 HD13 LEU A 103 -0.443 12.175 4.164 1.00 13.11 H new ATOM 0 HD21 LEU A 103 -1.440 11.698 1.271 1.00 50.30 H new ATOM 0 HD22 LEU A 103 -1.089 10.369 2.401 1.00 50.30 H new ATOM 0 HD23 LEU A 103 -2.690 10.485 1.632 1.00 50.30 H new ATOM 1586 N GLN A 104 -5.774 12.090 4.236 1.00 71.42 N ATOM 1587 CA GLN A 104 -6.831 12.846 3.543 1.00 34.14 C ATOM 1588 C GLN A 104 -7.488 13.902 4.452 1.00 41.33 C ATOM 1589 O GLN A 104 -7.925 14.948 3.978 1.00 14.22 O ATOM 1590 CB GLN A 104 -7.898 11.892 2.984 1.00 11.11 C ATOM 1591 CG GLN A 104 -8.594 11.046 4.048 1.00 12.23 C ATOM 1592 CD GLN A 104 -9.621 10.074 3.485 1.00 64.03 C ATOM 1593 OE1 GLN A 104 -10.598 9.734 4.145 1.00 61.41 O ATOM 1594 NE2 GLN A 104 -9.412 9.613 2.269 1.00 14.54 N ATOM 0 H GLN A 104 -5.901 11.078 4.216 1.00 71.42 H new ATOM 0 HA GLN A 104 -6.354 13.377 2.719 1.00 34.14 H new ATOM 0 HB2 GLN A 104 -8.648 12.475 2.450 1.00 11.11 H new ATOM 0 HB3 GLN A 104 -7.432 11.229 2.255 1.00 11.11 H new ATOM 0 HG2 GLN A 104 -7.842 10.485 4.602 1.00 12.23 H new ATOM 0 HG3 GLN A 104 -9.086 11.708 4.760 1.00 12.23 H new ATOM 0 HE21 GLN A 104 -8.591 9.913 1.744 1.00 14.54 H new ATOM 0 HE22 GLN A 104 -10.071 8.956 1.853 1.00 14.54 H new ATOM 1603 N VAL A 105 -7.556 13.628 5.755 1.00 31.43 N ATOM 1604 CA VAL A 105 -8.135 14.584 6.711 1.00 14.01 C ATOM 1605 C VAL A 105 -7.081 15.563 7.265 1.00 63.44 C ATOM 1606 O VAL A 105 -7.422 16.542 7.926 1.00 51.14 O ATOM 1607 CB VAL A 105 -8.823 13.857 7.895 1.00 62.23 C ATOM 1608 CG1 VAL A 105 -9.896 12.893 7.391 1.00 63.34 C ATOM 1609 CG2 VAL A 105 -7.797 13.125 8.760 1.00 44.35 C ATOM 0 H VAL A 105 -7.221 12.760 6.174 1.00 31.43 H new ATOM 0 HA VAL A 105 -8.880 15.153 6.155 1.00 14.01 H new ATOM 0 HB VAL A 105 -9.308 14.610 8.515 1.00 62.23 H new ATOM 0 HG11 VAL A 105 -10.365 12.395 8.239 1.00 63.34 H new ATOM 0 HG12 VAL A 105 -10.651 13.448 6.834 1.00 63.34 H new ATOM 0 HG13 VAL A 105 -9.439 12.148 6.740 1.00 63.34 H new ATOM 0 HG21 VAL A 105 -8.306 12.624 9.583 1.00 44.35 H new ATOM 0 HG22 VAL A 105 -7.272 12.386 8.155 1.00 44.35 H new ATOM 0 HG23 VAL A 105 -7.080 13.842 9.160 1.00 44.35 H new ATOM 1619 N SER A 106 -5.803 15.297 6.983 1.00 62.45 N ATOM 1620 CA SER A 106 -4.693 16.104 7.525 1.00 2.30 C ATOM 1621 C SER A 106 -3.795 16.671 6.413 1.00 50.50 C ATOM 1622 O SER A 106 -2.675 17.114 6.680 1.00 72.35 O ATOM 1623 CB SER A 106 -3.838 15.249 8.473 1.00 51.03 C ATOM 1624 OG SER A 106 -4.618 14.705 9.528 1.00 73.22 O ATOM 0 H SER A 106 -5.505 14.529 6.382 1.00 62.45 H new ATOM 0 HA SER A 106 -5.135 16.941 8.065 1.00 2.30 H new ATOM 0 HB2 SER A 106 -3.368 14.441 7.912 1.00 51.03 H new ATOM 0 HB3 SER A 106 -3.035 15.857 8.889 1.00 51.03 H new ATOM 0 HG SER A 106 -4.892 13.793 9.296 1.00 73.22 H new ATOM 1630 N SER A 107 -4.290 16.667 5.177 1.00 75.34 N ATOM 1631 CA SER A 107 -3.509 17.130 4.017 1.00 52.41 C ATOM 1632 C SER A 107 -3.221 18.637 4.085 1.00 54.41 C ATOM 1633 O SER A 107 -2.099 19.041 4.396 1.00 2.22 O ATOM 1634 CB SER A 107 -4.242 16.804 2.707 1.00 65.20 C ATOM 1635 OG SER A 107 -4.487 15.414 2.582 1.00 73.51 O ATOM 0 H SER A 107 -5.231 16.348 4.946 1.00 75.34 H new ATOM 0 HA SER A 107 -2.556 16.601 4.041 1.00 52.41 H new ATOM 0 HB2 SER A 107 -5.187 17.346 2.673 1.00 65.20 H new ATOM 0 HB3 SER A 107 -3.647 17.147 1.861 1.00 65.20 H new ATOM 0 HG SER A 107 -4.409 14.988 3.461 1.00 73.51 H new ATOM 1641 N ALA A 108 -4.243 19.454 3.788 1.00 52.20 N ATOM 1642 CA ALA A 108 -4.145 20.930 3.819 1.00 10.34 C ATOM 1643 C ALA A 108 -3.276 21.511 2.680 1.00 34.24 C ATOM 1644 O ALA A 108 -3.721 22.390 1.942 1.00 71.24 O ATOM 1645 CB ALA A 108 -3.640 21.416 5.179 1.00 71.44 C ATOM 0 H ALA A 108 -5.166 19.113 3.518 1.00 52.20 H new ATOM 0 HA ALA A 108 -5.157 21.303 3.658 1.00 10.34 H new ATOM 0 HB1 ALA A 108 -3.577 22.504 5.176 1.00 71.44 H new ATOM 0 HB2 ALA A 108 -4.330 21.095 5.959 1.00 71.44 H new ATOM 0 HB3 ALA A 108 -2.653 20.996 5.372 1.00 71.44 H new ATOM 1651 N ALA A 109 -2.049 21.008 2.532 1.00 33.43 N ATOM 1652 CA ALA A 109 -1.070 21.556 1.573 1.00 72.31 C ATOM 1653 C ALA A 109 -1.411 21.272 0.096 1.00 40.35 C ATOM 1654 O ALA A 109 -0.592 21.544 -0.785 1.00 64.34 O ATOM 1655 CB ALA A 109 0.317 21.009 1.887 1.00 65.33 C ATOM 0 H ALA A 109 -1.701 20.213 3.068 1.00 33.43 H new ATOM 0 HA ALA A 109 -1.101 22.639 1.694 1.00 72.31 H new ATOM 0 HB1 ALA A 109 1.038 21.415 1.177 1.00 65.33 H new ATOM 0 HB2 ALA A 109 0.602 21.298 2.899 1.00 65.33 H new ATOM 0 HB3 ALA A 109 0.305 19.922 1.810 1.00 65.33 H new ATOM 1661 N ALA A 110 -2.596 20.718 -0.167 1.00 24.41 N ATOM 1662 CA ALA A 110 -3.063 20.446 -1.539 1.00 64.31 C ATOM 1663 C ALA A 110 -2.299 19.289 -2.209 1.00 31.41 C ATOM 1664 O ALA A 110 -2.885 18.250 -2.525 1.00 63.41 O ATOM 1665 CB ALA A 110 -2.996 21.709 -2.398 1.00 15.52 C ATOM 0 H ALA A 110 -3.260 20.444 0.557 1.00 24.41 H new ATOM 0 HA ALA A 110 -4.103 20.131 -1.458 1.00 64.31 H new ATOM 0 HB1 ALA A 110 -3.345 21.483 -3.405 1.00 15.52 H new ATOM 0 HB2 ALA A 110 -3.628 22.481 -1.959 1.00 15.52 H new ATOM 0 HB3 ALA A 110 -1.967 22.065 -2.442 1.00 15.52 H new ATOM 1671 N GLY A 111 -0.998 19.468 -2.432 1.00 0.41 N ATOM 1672 CA GLY A 111 -0.204 18.436 -3.092 1.00 71.02 C ATOM 1673 C GLY A 111 1.283 18.774 -3.174 1.00 42.45 C ATOM 1674 O GLY A 111 1.817 19.010 -4.261 1.00 73.50 O ATOM 0 H GLY A 111 -0.478 20.306 -2.169 1.00 0.41 H new ATOM 0 HA2 GLY A 111 -0.326 17.495 -2.555 1.00 71.02 H new ATOM 0 HA3 GLY A 111 -0.590 18.280 -4.100 1.00 71.02 H new ATOM 1678 N VAL A 112 1.947 18.802 -2.021 1.00 22.32 N ATOM 1679 CA VAL A 112 3.386 19.080 -1.948 1.00 11.44 C ATOM 1680 C VAL A 112 4.151 17.841 -1.437 1.00 32.54 C ATOM 1681 O VAL A 112 3.787 17.264 -0.411 1.00 4.23 O ATOM 1682 CB VAL A 112 3.672 20.289 -1.015 1.00 14.14 C ATOM 1683 CG1 VAL A 112 5.166 20.595 -0.945 1.00 24.21 C ATOM 1684 CG2 VAL A 112 2.887 21.522 -1.466 1.00 41.14 C ATOM 0 H VAL A 112 1.510 18.634 -1.115 1.00 22.32 H new ATOM 0 HA VAL A 112 3.729 19.324 -2.953 1.00 11.44 H new ATOM 0 HB VAL A 112 3.340 20.019 -0.012 1.00 14.14 H new ATOM 0 HG11 VAL A 112 5.333 21.446 -0.284 1.00 24.21 H new ATOM 0 HG12 VAL A 112 5.698 19.726 -0.558 1.00 24.21 H new ATOM 0 HG13 VAL A 112 5.536 20.832 -1.942 1.00 24.21 H new ATOM 0 HG21 VAL A 112 3.103 22.356 -0.798 1.00 41.14 H new ATOM 0 HG22 VAL A 112 3.178 21.787 -2.482 1.00 41.14 H new ATOM 0 HG23 VAL A 112 1.819 21.303 -1.440 1.00 41.14 H new ATOM 1694 N PRO A 113 5.221 17.409 -2.141 1.00 74.52 N ATOM 1695 CA PRO A 113 5.987 16.207 -1.754 1.00 52.12 C ATOM 1696 C PRO A 113 6.665 16.344 -0.376 1.00 54.03 C ATOM 1697 O PRO A 113 7.425 17.283 -0.131 1.00 43.45 O ATOM 1698 CB PRO A 113 7.036 16.073 -2.873 1.00 34.31 C ATOM 1699 CG PRO A 113 7.149 17.441 -3.459 1.00 41.32 C ATOM 1700 CD PRO A 113 5.774 18.044 -3.352 1.00 31.22 C ATOM 0 HA PRO A 113 5.342 15.334 -1.652 1.00 52.12 H new ATOM 0 HB2 PRO A 113 7.993 15.732 -2.479 1.00 34.31 H new ATOM 0 HB3 PRO A 113 6.723 15.347 -3.623 1.00 34.31 H new ATOM 0 HG2 PRO A 113 7.882 18.039 -2.918 1.00 41.32 H new ATOM 0 HG3 PRO A 113 7.477 17.396 -4.497 1.00 41.32 H new ATOM 0 HD2 PRO A 113 5.817 19.129 -3.254 1.00 31.22 H new ATOM 0 HD3 PRO A 113 5.169 17.827 -4.233 1.00 31.22 H new ATOM 1708 N GLY A 114 6.373 15.402 0.522 1.00 71.12 N ATOM 1709 CA GLY A 114 6.962 15.414 1.861 1.00 12.52 C ATOM 1710 C GLY A 114 6.404 16.505 2.778 1.00 34.45 C ATOM 1711 O GLY A 114 6.977 16.780 3.834 1.00 64.11 O ATOM 0 H GLY A 114 5.736 14.625 0.348 1.00 71.12 H new ATOM 0 HA2 GLY A 114 6.798 14.443 2.328 1.00 12.52 H new ATOM 0 HA3 GLY A 114 8.040 15.546 1.771 1.00 12.52 H new ATOM 1715 N THR A 115 5.279 17.120 2.393 1.00 73.33 N ATOM 1716 CA THR A 115 4.676 18.206 3.192 1.00 42.32 C ATOM 1717 C THR A 115 4.232 17.736 4.588 1.00 40.30 C ATOM 1718 O THR A 115 4.355 18.469 5.572 1.00 21.21 O ATOM 1719 CB THR A 115 3.460 18.847 2.477 1.00 73.15 C ATOM 1720 OG1 THR A 115 2.928 19.917 3.272 1.00 12.12 O ATOM 1721 CG2 THR A 115 2.361 17.820 2.212 1.00 51.25 C ATOM 0 H THR A 115 4.768 16.890 1.541 1.00 73.33 H new ATOM 0 HA THR A 115 5.465 18.950 3.305 1.00 42.32 H new ATOM 0 HB THR A 115 3.807 19.234 1.519 1.00 73.15 H new ATOM 0 HG1 THR A 115 2.973 20.755 2.765 1.00 12.12 H new ATOM 0 HG21 THR A 115 1.524 18.304 1.710 1.00 51.25 H new ATOM 0 HG22 THR A 115 2.752 17.023 1.579 1.00 51.25 H new ATOM 0 HG23 THR A 115 2.021 17.398 3.158 1.00 51.25 H new ATOM 1729 N ASN A 116 3.712 16.514 4.667 1.00 4.12 N ATOM 1730 CA ASN A 116 3.264 15.936 5.938 1.00 51.20 C ATOM 1731 C ASN A 116 3.956 14.589 6.192 1.00 42.51 C ATOM 1732 O ASN A 116 4.079 13.778 5.275 1.00 31.40 O ATOM 1733 CB ASN A 116 1.739 15.752 5.928 1.00 72.21 C ATOM 1734 CG ASN A 116 0.996 17.075 5.828 1.00 22.15 C ATOM 1735 OD1 ASN A 116 1.474 18.105 6.288 1.00 13.21 O ATOM 1736 ND2 ASN A 116 -0.182 17.058 5.237 1.00 1.13 N ATOM 0 H ASN A 116 3.589 15.899 3.863 1.00 4.12 H new ATOM 0 HA ASN A 116 3.533 16.621 6.742 1.00 51.20 H new ATOM 0 HB2 ASN A 116 1.458 15.116 5.088 1.00 72.21 H new ATOM 0 HB3 ASN A 116 1.432 15.234 6.837 1.00 72.21 H new ATOM 0 HD21 ASN A 116 -0.723 17.919 5.153 1.00 1.13 H new ATOM 0 HD22 ASN A 116 -0.553 16.184 4.864 1.00 1.13 H new ATOM 1743 N PRO A 117 4.401 14.326 7.440 1.00 25.23 N ATOM 1744 CA PRO A 117 5.138 13.092 7.795 1.00 34.44 C ATOM 1745 C PRO A 117 4.416 11.803 7.360 1.00 74.11 C ATOM 1746 O PRO A 117 5.046 10.769 7.125 1.00 23.14 O ATOM 1747 CB PRO A 117 5.256 13.163 9.332 1.00 13.05 C ATOM 1748 CG PRO A 117 4.289 14.222 9.757 1.00 74.40 C ATOM 1749 CD PRO A 117 4.224 15.197 8.614 1.00 44.24 C ATOM 0 HA PRO A 117 6.099 13.046 7.283 1.00 34.44 H new ATOM 0 HB2 PRO A 117 5.014 12.204 9.789 1.00 13.05 H new ATOM 0 HB3 PRO A 117 6.272 13.414 9.637 1.00 13.05 H new ATOM 0 HG2 PRO A 117 3.307 13.796 9.964 1.00 74.40 H new ATOM 0 HG3 PRO A 117 4.623 14.713 10.671 1.00 74.40 H new ATOM 0 HD2 PRO A 117 3.272 15.727 8.586 1.00 44.24 H new ATOM 0 HD3 PRO A 117 5.007 15.952 8.680 1.00 44.24 H new ATOM 1757 N VAL A 118 3.087 11.881 7.246 1.00 34.11 N ATOM 1758 CA VAL A 118 2.273 10.744 6.802 1.00 50.21 C ATOM 1759 C VAL A 118 2.775 10.166 5.465 1.00 5.23 C ATOM 1760 O VAL A 118 2.751 8.954 5.255 1.00 64.12 O ATOM 1761 CB VAL A 118 0.784 11.147 6.640 1.00 52.41 C ATOM 1762 CG1 VAL A 118 -0.082 9.925 6.341 1.00 44.35 C ATOM 1763 CG2 VAL A 118 0.274 11.882 7.878 1.00 22.11 C ATOM 0 H VAL A 118 2.550 12.722 7.456 1.00 34.11 H new ATOM 0 HA VAL A 118 2.365 9.982 7.576 1.00 50.21 H new ATOM 0 HB VAL A 118 0.714 11.829 5.793 1.00 52.41 H new ATOM 0 HG11 VAL A 118 -1.122 10.234 6.232 1.00 44.35 H new ATOM 0 HG12 VAL A 118 0.256 9.457 5.417 1.00 44.35 H new ATOM 0 HG13 VAL A 118 0.000 9.211 7.161 1.00 44.35 H new ATOM 0 HG21 VAL A 118 -0.772 12.152 7.736 1.00 22.11 H new ATOM 0 HG22 VAL A 118 0.366 11.234 8.750 1.00 22.11 H new ATOM 0 HG23 VAL A 118 0.864 12.785 8.034 1.00 22.11 H new ATOM 1773 N LEU A 119 3.246 11.044 4.576 1.00 51.54 N ATOM 1774 CA LEU A 119 3.718 10.634 3.245 1.00 2.05 C ATOM 1775 C LEU A 119 4.914 9.668 3.334 1.00 14.14 C ATOM 1776 O LEU A 119 4.904 8.598 2.721 1.00 3.51 O ATOM 1777 CB LEU A 119 4.086 11.872 2.413 1.00 21.02 C ATOM 1778 CG LEU A 119 2.936 12.875 2.204 1.00 64.22 C ATOM 1779 CD1 LEU A 119 3.410 14.100 1.428 1.00 42.25 C ATOM 1780 CD2 LEU A 119 1.766 12.205 1.487 1.00 31.33 C ATOM 0 H LEU A 119 3.312 12.047 4.752 1.00 51.54 H new ATOM 0 HA LEU A 119 2.906 10.100 2.753 1.00 2.05 H new ATOM 0 HB2 LEU A 119 4.914 12.387 2.900 1.00 21.02 H new ATOM 0 HB3 LEU A 119 4.445 11.543 1.438 1.00 21.02 H new ATOM 0 HG LEU A 119 2.597 13.209 3.185 1.00 64.22 H new ATOM 0 HD11 LEU A 119 2.578 14.791 1.295 1.00 42.25 H new ATOM 0 HD12 LEU A 119 4.208 14.595 1.982 1.00 42.25 H new ATOM 0 HD13 LEU A 119 3.784 13.790 0.452 1.00 42.25 H new ATOM 0 HD21 LEU A 119 0.962 12.928 1.348 1.00 31.33 H new ATOM 0 HD22 LEU A 119 2.097 11.838 0.515 1.00 31.33 H new ATOM 0 HD23 LEU A 119 1.403 11.370 2.086 1.00 31.33 H new ATOM 1792 N ASN A 120 5.936 10.042 4.105 1.00 52.51 N ATOM 1793 CA ASN A 120 7.086 9.157 4.342 1.00 4.22 C ATOM 1794 C ASN A 120 6.648 7.834 4.992 1.00 65.21 C ATOM 1795 O ASN A 120 7.193 6.768 4.688 1.00 14.22 O ATOM 1796 CB ASN A 120 8.137 9.851 5.219 1.00 53.53 C ATOM 1797 CG ASN A 120 8.861 10.966 4.486 1.00 43.13 C ATOM 1798 OD1 ASN A 120 9.040 10.914 3.274 1.00 52.15 O ATOM 1799 ND2 ASN A 120 9.295 11.976 5.211 1.00 40.13 N ATOM 0 H ASN A 120 5.995 10.945 4.575 1.00 52.51 H new ATOM 0 HA ASN A 120 7.531 8.932 3.373 1.00 4.22 H new ATOM 0 HB2 ASN A 120 7.653 10.258 6.107 1.00 53.53 H new ATOM 0 HB3 ASN A 120 8.863 9.114 5.562 1.00 53.53 H new ATOM 0 HD21 ASN A 120 9.796 12.745 4.766 1.00 40.13 H new ATOM 0 HD22 ASN A 120 9.130 11.989 6.217 1.00 40.13 H new ATOM 1806 N ASN A 121 5.660 7.906 5.884 1.00 23.30 N ATOM 1807 CA ASN A 121 5.102 6.704 6.516 1.00 43.44 C ATOM 1808 C ASN A 121 4.406 5.809 5.474 1.00 55.22 C ATOM 1809 O ASN A 121 4.513 4.580 5.523 1.00 75.43 O ATOM 1810 CB ASN A 121 4.116 7.087 7.629 1.00 5.22 C ATOM 1811 CG ASN A 121 4.763 7.936 8.711 1.00 3.03 C ATOM 1812 OD1 ASN A 121 5.960 7.844 8.960 1.00 23.31 O ATOM 1813 ND2 ASN A 121 3.980 8.761 9.374 1.00 31.33 N ATOM 0 H ASN A 121 5.229 8.779 6.186 1.00 23.30 H new ATOM 0 HA ASN A 121 5.926 6.142 6.957 1.00 43.44 H new ATOM 0 HB2 ASN A 121 3.278 7.633 7.196 1.00 5.22 H new ATOM 0 HB3 ASN A 121 3.709 6.181 8.077 1.00 5.22 H new ATOM 0 HD21 ASN A 121 4.366 9.344 10.116 1.00 31.33 H new ATOM 0 HD22 ASN A 121 2.988 8.817 9.145 1.00 31.33 H new ATOM 1820 N LEU A 122 3.693 6.433 4.534 1.00 14.12 N ATOM 1821 CA LEU A 122 3.083 5.708 3.414 1.00 3.34 C ATOM 1822 C LEU A 122 4.157 5.016 2.569 1.00 62.53 C ATOM 1823 O LEU A 122 4.029 3.843 2.234 1.00 22.30 O ATOM 1824 CB LEU A 122 2.261 6.657 2.526 1.00 61.44 C ATOM 1825 CG LEU A 122 0.984 7.228 3.162 1.00 44.31 C ATOM 1826 CD1 LEU A 122 0.294 8.197 2.208 1.00 61.51 C ATOM 1827 CD2 LEU A 122 0.033 6.101 3.554 1.00 52.31 C ATOM 0 H LEU A 122 3.523 7.439 4.525 1.00 14.12 H new ATOM 0 HA LEU A 122 2.417 4.954 3.832 1.00 3.34 H new ATOM 0 HB2 LEU A 122 2.899 7.489 2.227 1.00 61.44 H new ATOM 0 HB3 LEU A 122 1.985 6.125 1.616 1.00 61.44 H new ATOM 0 HG LEU A 122 1.266 7.774 4.062 1.00 44.31 H new ATOM 0 HD11 LEU A 122 -0.608 8.590 2.678 1.00 61.51 H new ATOM 0 HD12 LEU A 122 0.969 9.020 1.974 1.00 61.51 H new ATOM 0 HD13 LEU A 122 0.027 7.675 1.289 1.00 61.51 H new ATOM 0 HD21 LEU A 122 -0.866 6.523 4.003 1.00 52.31 H new ATOM 0 HD22 LEU A 122 -0.239 5.529 2.667 1.00 52.31 H new ATOM 0 HD23 LEU A 122 0.523 5.445 4.273 1.00 52.31 H new ATOM 1839 N LEU A 123 5.219 5.755 2.234 1.00 75.43 N ATOM 1840 CA LEU A 123 6.346 5.200 1.473 1.00 41.52 C ATOM 1841 C LEU A 123 6.882 3.922 2.135 1.00 40.11 C ATOM 1842 O LEU A 123 7.056 2.892 1.478 1.00 41.03 O ATOM 1843 CB LEU A 123 7.472 6.243 1.357 1.00 2.12 C ATOM 1844 CG LEU A 123 8.690 5.814 0.520 1.00 41.34 C ATOM 1845 CD1 LEU A 123 8.285 5.522 -0.924 1.00 5.42 C ATOM 1846 CD2 LEU A 123 9.786 6.879 0.572 1.00 2.33 C ATOM 0 H LEU A 123 5.323 6.740 2.477 1.00 75.43 H new ATOM 0 HA LEU A 123 5.988 4.945 0.475 1.00 41.52 H new ATOM 0 HB2 LEU A 123 7.057 7.153 0.923 1.00 2.12 H new ATOM 0 HB3 LEU A 123 7.814 6.496 2.361 1.00 2.12 H new ATOM 0 HG LEU A 123 9.088 4.895 0.950 1.00 41.34 H new ATOM 0 HD11 LEU A 123 9.164 5.221 -1.495 1.00 5.42 H new ATOM 0 HD12 LEU A 123 7.549 4.718 -0.940 1.00 5.42 H new ATOM 0 HD13 LEU A 123 7.853 6.418 -1.369 1.00 5.42 H new ATOM 0 HD21 LEU A 123 10.637 6.555 -0.027 1.00 2.33 H new ATOM 0 HD22 LEU A 123 9.400 7.818 0.175 1.00 2.33 H new ATOM 0 HD23 LEU A 123 10.103 7.025 1.605 1.00 2.33 H new ATOM 1858 N SER A 124 7.119 3.995 3.443 1.00 73.42 N ATOM 1859 CA SER A 124 7.582 2.835 4.217 1.00 43.52 C ATOM 1860 C SER A 124 6.598 1.660 4.117 1.00 11.40 C ATOM 1861 O SER A 124 6.998 0.519 3.886 1.00 22.43 O ATOM 1862 CB SER A 124 7.781 3.218 5.691 1.00 2.14 C ATOM 1863 OG SER A 124 8.183 2.099 6.466 1.00 32.43 O ATOM 0 H SER A 124 6.999 4.845 3.994 1.00 73.42 H new ATOM 0 HA SER A 124 8.535 2.519 3.793 1.00 43.52 H new ATOM 0 HB2 SER A 124 8.533 4.004 5.766 1.00 2.14 H new ATOM 0 HB3 SER A 124 6.853 3.625 6.091 1.00 2.14 H new ATOM 0 HG SER A 124 8.303 2.374 7.399 1.00 32.43 H new ATOM 1869 N CYS A 125 5.307 1.951 4.283 1.00 30.35 N ATOM 1870 CA CYS A 125 4.259 0.922 4.210 1.00 5.12 C ATOM 1871 C CYS A 125 4.187 0.273 2.818 1.00 22.12 C ATOM 1872 O CYS A 125 4.186 -0.949 2.699 1.00 4.32 O ATOM 1873 CB CYS A 125 2.894 1.518 4.582 1.00 5.02 C ATOM 1874 SG CYS A 125 2.788 2.105 6.290 1.00 4.21 S ATOM 0 H CYS A 125 4.958 2.891 4.469 1.00 30.35 H new ATOM 0 HA CYS A 125 4.520 0.144 4.927 1.00 5.12 H new ATOM 0 HB2 CYS A 125 2.676 2.348 3.909 1.00 5.02 H new ATOM 0 HB3 CYS A 125 2.123 0.764 4.419 1.00 5.02 H new ATOM 0 HG CYS A 125 3.425 3.233 6.402 1.00 4.21 H new ATOM 1880 N VAL A 126 4.142 1.092 1.769 1.00 75.32 N ATOM 1881 CA VAL A 126 4.055 0.589 0.388 1.00 31.45 C ATOM 1882 C VAL A 126 5.257 -0.304 0.027 1.00 51.43 C ATOM 1883 O VAL A 126 5.097 -1.382 -0.555 1.00 22.30 O ATOM 1884 CB VAL A 126 3.964 1.757 -0.628 1.00 22.53 C ATOM 1885 CG1 VAL A 126 3.883 1.233 -2.061 1.00 74.03 C ATOM 1886 CG2 VAL A 126 2.770 2.654 -0.311 1.00 61.43 C ATOM 0 H VAL A 126 4.164 2.109 1.843 1.00 75.32 H new ATOM 0 HA VAL A 126 3.146 -0.010 0.332 1.00 31.45 H new ATOM 0 HB VAL A 126 4.873 2.352 -0.540 1.00 22.53 H new ATOM 0 HG11 VAL A 126 3.820 2.073 -2.753 1.00 74.03 H new ATOM 0 HG12 VAL A 126 4.773 0.645 -2.284 1.00 74.03 H new ATOM 0 HG13 VAL A 126 2.998 0.606 -2.170 1.00 74.03 H new ATOM 0 HG21 VAL A 126 2.724 3.467 -1.035 1.00 61.43 H new ATOM 0 HG22 VAL A 126 1.852 2.069 -0.363 1.00 61.43 H new ATOM 0 HG23 VAL A 126 2.881 3.067 0.692 1.00 61.43 H new ATOM 1896 N GLN A 127 6.458 0.155 0.372 1.00 44.20 N ATOM 1897 CA GLN A 127 7.678 -0.624 0.136 1.00 42.24 C ATOM 1898 C GLN A 127 7.650 -1.949 0.916 1.00 61.22 C ATOM 1899 O GLN A 127 8.044 -2.991 0.395 1.00 64.51 O ATOM 1900 CB GLN A 127 8.916 0.202 0.514 1.00 43.21 C ATOM 1901 CG GLN A 127 9.121 1.435 -0.366 1.00 72.21 C ATOM 1902 CD GLN A 127 10.306 2.289 0.062 1.00 50.02 C ATOM 1903 OE1 GLN A 127 10.645 2.369 1.241 1.00 73.44 O ATOM 1904 NE2 GLN A 127 10.950 2.932 -0.891 1.00 24.32 N ATOM 0 H GLN A 127 6.616 1.060 0.815 1.00 44.20 H new ATOM 0 HA GLN A 127 7.729 -0.865 -0.926 1.00 42.24 H new ATOM 0 HB2 GLN A 127 8.828 0.518 1.553 1.00 43.21 H new ATOM 0 HB3 GLN A 127 9.800 -0.432 0.448 1.00 43.21 H new ATOM 0 HG2 GLN A 127 9.266 1.116 -1.398 1.00 72.21 H new ATOM 0 HG3 GLN A 127 8.217 2.043 -0.344 1.00 72.21 H new ATOM 0 HE21 GLN A 127 10.645 2.846 -1.860 1.00 24.32 H new ATOM 0 HE22 GLN A 127 11.754 3.516 -0.659 1.00 24.32 H new ATOM 1913 N GLU A 128 7.162 -1.901 2.156 1.00 63.52 N ATOM 1914 CA GLU A 128 7.021 -3.102 2.992 1.00 63.45 C ATOM 1915 C GLU A 128 6.032 -4.106 2.364 1.00 21.15 C ATOM 1916 O GLU A 128 6.348 -5.283 2.208 1.00 10.41 O ATOM 1917 CB GLU A 128 6.539 -2.708 4.398 1.00 42.20 C ATOM 1918 CG GLU A 128 6.483 -3.868 5.393 1.00 42.14 C ATOM 1919 CD GLU A 128 7.860 -4.343 5.839 1.00 74.21 C ATOM 1920 OE1 GLU A 128 8.473 -3.676 6.701 1.00 64.03 O ATOM 1921 OE2 GLU A 128 8.328 -5.393 5.353 1.00 31.35 O ATOM 0 H GLU A 128 6.855 -1.040 2.609 1.00 63.52 H new ATOM 0 HA GLU A 128 7.997 -3.582 3.062 1.00 63.45 H new ATOM 0 HB2 GLU A 128 7.201 -1.937 4.793 1.00 42.20 H new ATOM 0 HB3 GLU A 128 5.546 -2.265 4.318 1.00 42.20 H new ATOM 0 HG2 GLU A 128 5.911 -3.560 6.268 1.00 42.14 H new ATOM 0 HG3 GLU A 128 5.947 -4.702 4.939 1.00 42.14 H new ATOM 1928 N ILE A 129 4.838 -3.621 1.998 1.00 43.15 N ATOM 1929 CA ILE A 129 3.796 -4.465 1.390 1.00 21.14 C ATOM 1930 C ILE A 129 4.325 -5.223 0.163 1.00 34.04 C ATOM 1931 O ILE A 129 4.266 -6.453 0.104 1.00 2.45 O ATOM 1932 CB ILE A 129 2.564 -3.618 0.966 1.00 72.24 C ATOM 1933 CG1 ILE A 129 1.917 -2.954 2.191 1.00 31.12 C ATOM 1934 CG2 ILE A 129 1.540 -4.474 0.215 1.00 50.42 C ATOM 1935 CD1 ILE A 129 0.771 -2.026 1.851 1.00 13.32 C ATOM 0 H ILE A 129 4.567 -2.644 2.112 1.00 43.15 H new ATOM 0 HA ILE A 129 3.497 -5.186 2.150 1.00 21.14 H new ATOM 0 HB ILE A 129 2.910 -2.836 0.291 1.00 72.24 H new ATOM 0 HG12 ILE A 129 1.555 -3.731 2.864 1.00 31.12 H new ATOM 0 HG13 ILE A 129 2.678 -2.392 2.732 1.00 31.12 H new ATOM 0 HG21 ILE A 129 0.688 -3.856 -0.070 1.00 50.42 H new ATOM 0 HG22 ILE A 129 2.001 -4.891 -0.680 1.00 50.42 H new ATOM 0 HG23 ILE A 129 1.201 -5.285 0.860 1.00 50.42 H new ATOM 0 HD11 ILE A 129 0.367 -1.596 2.767 1.00 13.32 H new ATOM 0 HD12 ILE A 129 1.130 -1.227 1.203 1.00 13.32 H new ATOM 0 HD13 ILE A 129 -0.010 -2.586 1.337 1.00 13.32 H new ATOM 1947 N SER A 130 4.850 -4.478 -0.808 1.00 33.03 N ATOM 1948 CA SER A 130 5.414 -5.076 -2.028 1.00 61.10 C ATOM 1949 C SER A 130 6.544 -6.060 -1.697 1.00 60.13 C ATOM 1950 O SER A 130 6.677 -7.103 -2.335 1.00 2.50 O ATOM 1951 CB SER A 130 5.935 -3.982 -2.971 1.00 65.15 C ATOM 1952 OG SER A 130 6.940 -3.197 -2.349 1.00 44.23 O ATOM 0 H SER A 130 4.899 -3.460 -0.779 1.00 33.03 H new ATOM 0 HA SER A 130 4.616 -5.627 -2.525 1.00 61.10 H new ATOM 0 HB2 SER A 130 6.337 -4.440 -3.875 1.00 65.15 H new ATOM 0 HB3 SER A 130 5.109 -3.341 -3.278 1.00 65.15 H new ATOM 0 HG SER A 130 6.522 -2.556 -1.737 1.00 44.23 H new ATOM 1958 N ASP A 131 7.350 -5.721 -0.691 1.00 35.54 N ATOM 1959 CA ASP A 131 8.438 -6.589 -0.230 1.00 50.35 C ATOM 1960 C ASP A 131 7.900 -7.930 0.306 1.00 1.15 C ATOM 1961 O ASP A 131 8.445 -8.992 -0.002 1.00 73.34 O ATOM 1962 CB ASP A 131 9.243 -5.860 0.852 1.00 61.14 C ATOM 1963 CG ASP A 131 10.454 -6.642 1.321 1.00 3.32 C ATOM 1964 OD1 ASP A 131 10.318 -7.450 2.262 1.00 2.43 O ATOM 1965 OD2 ASP A 131 11.554 -6.442 0.762 1.00 72.12 O ATOM 0 H ASP A 131 7.270 -4.845 -0.175 1.00 35.54 H new ATOM 0 HA ASP A 131 9.086 -6.815 -1.077 1.00 50.35 H new ATOM 0 HB2 ASP A 131 9.569 -4.895 0.465 1.00 61.14 H new ATOM 0 HB3 ASP A 131 8.595 -5.659 1.705 1.00 61.14 H new ATOM 1970 N VAL A 132 6.825 -7.877 1.099 1.00 2.51 N ATOM 1971 CA VAL A 132 6.196 -9.091 1.644 1.00 43.54 C ATOM 1972 C VAL A 132 5.750 -10.049 0.525 1.00 61.14 C ATOM 1973 O VAL A 132 5.895 -11.271 0.636 1.00 63.43 O ATOM 1974 CB VAL A 132 4.970 -8.750 2.534 1.00 14.03 C ATOM 1975 CG1 VAL A 132 4.320 -10.019 3.076 1.00 1.14 C ATOM 1976 CG2 VAL A 132 5.366 -7.822 3.682 1.00 55.13 C ATOM 0 H VAL A 132 6.370 -7.008 1.379 1.00 2.51 H new ATOM 0 HA VAL A 132 6.954 -9.582 2.254 1.00 43.54 H new ATOM 0 HB VAL A 132 4.242 -8.231 1.911 1.00 14.03 H new ATOM 0 HG11 VAL A 132 3.464 -9.753 3.696 1.00 1.14 H new ATOM 0 HG12 VAL A 132 3.987 -10.641 2.245 1.00 1.14 H new ATOM 0 HG13 VAL A 132 5.044 -10.571 3.675 1.00 1.14 H new ATOM 0 HG21 VAL A 132 4.489 -7.599 4.289 1.00 55.13 H new ATOM 0 HG22 VAL A 132 6.121 -8.309 4.300 1.00 55.13 H new ATOM 0 HG23 VAL A 132 5.772 -6.895 3.277 1.00 55.13 H new ATOM 1986 N VAL A 133 5.218 -9.483 -0.554 1.00 53.43 N ATOM 1987 CA VAL A 133 4.749 -10.271 -1.699 1.00 61.31 C ATOM 1988 C VAL A 133 5.922 -10.935 -2.449 1.00 24.52 C ATOM 1989 O VAL A 133 5.747 -11.945 -3.130 1.00 12.15 O ATOM 1990 CB VAL A 133 3.941 -9.389 -2.688 1.00 11.05 C ATOM 1991 CG1 VAL A 133 3.301 -10.239 -3.788 1.00 33.11 C ATOM 1992 CG2 VAL A 133 2.882 -8.574 -1.943 1.00 2.41 C ATOM 0 H VAL A 133 5.099 -8.476 -0.664 1.00 53.43 H new ATOM 0 HA VAL A 133 4.101 -11.052 -1.302 1.00 61.31 H new ATOM 0 HB VAL A 133 4.634 -8.695 -3.164 1.00 11.05 H new ATOM 0 HG11 VAL A 133 2.741 -9.595 -4.466 1.00 33.11 H new ATOM 0 HG12 VAL A 133 4.080 -10.761 -4.344 1.00 33.11 H new ATOM 0 HG13 VAL A 133 2.625 -10.967 -3.339 1.00 33.11 H new ATOM 0 HG21 VAL A 133 2.327 -7.963 -2.654 1.00 2.41 H new ATOM 0 HG22 VAL A 133 2.196 -9.250 -1.432 1.00 2.41 H new ATOM 0 HG23 VAL A 133 3.368 -7.928 -1.211 1.00 2.41 H new ATOM 2002 N GLN A 134 7.118 -10.360 -2.315 1.00 72.11 N ATOM 2003 CA GLN A 134 8.316 -10.875 -2.999 1.00 33.31 C ATOM 2004 C GLN A 134 8.976 -12.033 -2.225 1.00 61.11 C ATOM 2005 O GLN A 134 9.903 -12.671 -2.728 1.00 12.43 O ATOM 2006 CB GLN A 134 9.338 -9.743 -3.192 1.00 44.54 C ATOM 2007 CG GLN A 134 8.806 -8.562 -4.001 1.00 34.23 C ATOM 2008 CD GLN A 134 9.807 -7.426 -4.131 1.00 52.14 C ATOM 2009 OE1 GLN A 134 11.018 -7.636 -4.138 1.00 24.34 O ATOM 2010 NE2 GLN A 134 9.311 -6.208 -4.225 1.00 3.35 N ATOM 0 H GLN A 134 7.288 -9.536 -1.739 1.00 72.11 H new ATOM 0 HA GLN A 134 7.995 -11.260 -3.967 1.00 33.31 H new ATOM 0 HB2 GLN A 134 9.659 -9.386 -2.214 1.00 44.54 H new ATOM 0 HB3 GLN A 134 10.221 -10.144 -3.690 1.00 44.54 H new ATOM 0 HG2 GLN A 134 8.527 -8.908 -4.996 1.00 34.23 H new ATOM 0 HG3 GLN A 134 7.899 -8.186 -3.529 1.00 34.23 H new ATOM 0 HE21 GLN A 134 8.301 -6.067 -4.216 1.00 3.35 H new ATOM 0 HE22 GLN A 134 9.937 -5.407 -4.306 1.00 3.35 H new ATOM 2019 N ARG A 135 8.496 -12.301 -1.011 1.00 31.31 N ATOM 2020 CA ARG A 135 9.104 -13.325 -0.136 1.00 42.24 C ATOM 2021 C ARG A 135 8.576 -14.742 -0.445 1.00 54.52 C ATOM 2022 O ARG A 135 7.459 -15.083 -0.003 1.00 37.42 O ATOM 2023 CB ARG A 135 8.849 -12.975 1.336 1.00 14.41 C ATOM 2024 CG ARG A 135 9.287 -11.565 1.706 1.00 63.11 C ATOM 2025 CD ARG A 135 8.968 -11.225 3.156 1.00 45.45 C ATOM 2026 NE ARG A 135 9.166 -9.805 3.430 1.00 13.22 N ATOM 2027 CZ ARG A 135 8.658 -9.170 4.447 1.00 64.31 C ATOM 2028 NH1 ARG A 135 7.970 -9.794 5.348 1.00 52.15 N ATOM 2029 NH2 ARG A 135 8.851 -7.902 4.554 1.00 40.12 N ATOM 2030 OXT ARG A 135 9.290 -15.515 -1.119 1.00 37.42 O ATOM 0 H ARG A 135 7.689 -11.828 -0.604 1.00 31.31 H new ATOM 0 HA ARG A 135 10.176 -13.328 -0.331 1.00 42.24 H new ATOM 0 HB2 ARG A 135 7.786 -13.085 1.549 1.00 14.41 H new ATOM 0 HB3 ARG A 135 9.376 -13.689 1.968 1.00 14.41 H new ATOM 0 HG2 ARG A 135 10.359 -11.464 1.538 1.00 63.11 H new ATOM 0 HG3 ARG A 135 8.793 -10.849 1.050 1.00 63.11 H new ATOM 0 HD2 ARG A 135 7.936 -11.498 3.376 1.00 45.45 H new ATOM 0 HD3 ARG A 135 9.602 -11.816 3.817 1.00 45.45 H new ATOM 0 HE ARG A 135 9.743 -9.273 2.779 1.00 13.22 H new ATOM 0 HH11 ARG A 135 7.818 -10.799 5.268 1.00 52.15 H new ATOM 0 HH12 ARG A 135 7.580 -9.280 6.138 1.00 52.15 H new ATOM 0 HH21 ARG A 135 9.396 -7.408 3.847 1.00 40.12 H new ATOM 0 HH22 ARG A 135 8.459 -7.391 5.345 1.00 40.12 H new