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 115 THR OG1 : rot 110:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= -1.48! K(o=-1.5!,f=0.57) USER MOD Set 2.1: A 61 GLN : amide:sc= -0.799 K(o=0.41,f=-1.3) USER MOD Set 2.2: A 65 THR OG1 : rot 81:sc= 1.21 USER MOD Set 3.1: A 59 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.054) USER MOD Set 3.2: A 107 SER OG : rot -87:sc= -0.0327 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00894) 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 91:sc= 0.814 USER MOD Single : A 50 SER OG : rot -40:sc= 0.514 USER MOD Single : A 51 SER OG : rot -80:sc= 0.518 USER MOD Single : A 54 THR OG1 : rot -34:sc= 1.22 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 67 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-4.5!) USER MOD Single : A 68 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.93) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 81:sc= 0.282 USER MOD Single : A 74 SER OG : rot -82:sc= 0.829 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0113 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.32 K(o=-2.3,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.213 K(o=0.21,f=-4.5!) USER MOD Single : A 86 LYS NZ :NH3+ 144:sc= 0.573 (180deg=0.0612) USER MOD Single : A 94 SER OG : rot 180:sc= 0.616 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0488) USER MOD Single : A 99 SER OG : rot -170:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 104 GLN : amide:sc= 0.065 X(o=0.065,f=-0.018) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 121 ASN : amide:sc= -0.532 K(o=-0.53,f=-4.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 64:sc= -2.27! USER MOD Single : A 127 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.1) USER MOD Single : A 130 SER OG : rot -82:sc= 0.804 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.062 -12.388 -9.692 1.00 64.51 N ATOM 529 CA LYS A 36 -7.423 -11.743 -10.843 1.00 13.11 C ATOM 530 C LYS A 36 -6.111 -11.048 -10.438 1.00 70.22 C ATOM 531 O LYS A 36 -5.149 -11.024 -11.212 1.00 43.24 O ATOM 532 CB LYS A 36 -8.411 -10.745 -11.494 1.00 40.22 C ATOM 533 CG LYS A 36 -7.840 -9.933 -12.665 1.00 53.22 C ATOM 534 CD LYS A 36 -7.158 -8.643 -12.201 1.00 71.54 C ATOM 535 CE LYS A 36 -6.413 -7.951 -13.336 1.00 72.44 C ATOM 536 NZ LYS A 36 -7.315 -7.556 -14.448 1.00 63.34 N ATOM 0 HA LYS A 36 -7.165 -12.508 -11.575 1.00 13.11 H new ATOM 0 HB2 LYS A 36 -9.282 -11.298 -11.846 1.00 40.22 H new ATOM 0 HB3 LYS A 36 -8.761 -10.052 -10.728 1.00 40.22 H new ATOM 0 HG2 LYS A 36 -7.122 -10.544 -13.212 1.00 53.22 H new ATOM 0 HG3 LYS A 36 -8.643 -9.687 -13.359 1.00 53.22 H new ATOM 0 HD2 LYS A 36 -7.906 -7.964 -11.792 1.00 71.54 H new ATOM 0 HD3 LYS A 36 -6.460 -8.871 -11.395 1.00 71.54 H new ATOM 0 HE2 LYS A 36 -5.909 -7.066 -12.949 1.00 72.44 H new ATOM 0 HE3 LYS A 36 -5.639 -8.617 -13.718 1.00 72.44 H new ATOM 0 HZ1 LYS A 36 -6.771 -7.045 -15.172 1.00 63.34 H new ATOM 0 HZ2 LYS A 36 -7.739 -8.407 -14.870 1.00 63.34 H new ATOM 0 HZ3 LYS A 36 -8.068 -6.939 -14.082 1.00 63.34 H new ATOM 550 N ILE A 37 -6.071 -10.490 -9.226 1.00 61.40 N ATOM 551 CA ILE A 37 -4.899 -9.742 -8.753 1.00 73.22 C ATOM 552 C ILE A 37 -3.637 -10.622 -8.712 1.00 11.24 C ATOM 553 O ILE A 37 -3.522 -11.531 -7.891 1.00 22.22 O ATOM 554 CB ILE A 37 -5.135 -9.131 -7.347 1.00 2.33 C ATOM 555 CG1 ILE A 37 -6.430 -8.298 -7.324 1.00 60.55 C ATOM 556 CG2 ILE A 37 -3.938 -8.276 -6.925 1.00 63.23 C ATOM 557 CD1 ILE A 37 -6.469 -7.184 -8.350 1.00 23.34 C ATOM 0 H ILE A 37 -6.836 -10.541 -8.553 1.00 61.40 H new ATOM 0 HA ILE A 37 -4.746 -8.935 -9.470 1.00 73.22 H new ATOM 0 HB ILE A 37 -5.243 -9.948 -6.634 1.00 2.33 H new ATOM 0 HG12 ILE A 37 -7.279 -8.961 -7.492 1.00 60.55 H new ATOM 0 HG13 ILE A 37 -6.554 -7.867 -6.331 1.00 60.55 H new ATOM 0 HG21 ILE A 37 -4.122 -7.856 -5.936 1.00 63.23 H new ATOM 0 HG22 ILE A 37 -3.041 -8.895 -6.895 1.00 63.23 H new ATOM 0 HG23 ILE A 37 -3.797 -7.468 -7.642 1.00 63.23 H new ATOM 0 HD11 ILE A 37 -7.414 -6.646 -8.267 1.00 23.34 H new ATOM 0 HD12 ILE A 37 -5.643 -6.496 -8.171 1.00 23.34 H new ATOM 0 HD13 ILE A 37 -6.379 -7.607 -9.350 1.00 23.34 H new ATOM 569 N SER A 38 -2.701 -10.346 -9.617 1.00 1.25 N ATOM 570 CA SER A 38 -1.431 -11.088 -9.684 1.00 14.23 C ATOM 571 C SER A 38 -0.283 -10.297 -9.043 1.00 42.42 C ATOM 572 O SER A 38 -0.355 -9.073 -8.916 1.00 23.25 O ATOM 573 CB SER A 38 -1.073 -11.397 -11.146 1.00 21.03 C ATOM 574 OG SER A 38 -2.116 -12.102 -11.805 1.00 70.53 O ATOM 0 H SER A 38 -2.793 -9.612 -10.319 1.00 1.25 H new ATOM 0 HA SER A 38 -1.566 -12.017 -9.130 1.00 14.23 H new ATOM 0 HB2 SER A 38 -0.872 -10.466 -11.676 1.00 21.03 H new ATOM 0 HB3 SER A 38 -0.157 -11.987 -11.179 1.00 21.03 H new ATOM 0 HG SER A 38 -1.855 -12.280 -12.733 1.00 70.53 H new ATOM 580 N LYS A 39 0.782 -11.007 -8.659 1.00 10.25 N ATOM 581 CA LYS A 39 1.998 -10.386 -8.111 1.00 0.03 C ATOM 582 C LYS A 39 2.456 -9.190 -8.962 1.00 11.53 C ATOM 583 O LYS A 39 2.517 -8.054 -8.486 1.00 41.24 O ATOM 584 CB LYS A 39 3.122 -11.434 -8.047 1.00 73.33 C ATOM 585 CG LYS A 39 4.493 -10.861 -7.691 1.00 65.34 C ATOM 586 CD LYS A 39 5.595 -11.915 -7.780 1.00 52.54 C ATOM 587 CE LYS A 39 5.381 -13.057 -6.792 1.00 11.14 C ATOM 588 NZ LYS A 39 6.454 -14.080 -6.899 1.00 43.44 N ATOM 0 H LYS A 39 0.829 -12.024 -8.718 1.00 10.25 H new ATOM 0 HA LYS A 39 1.769 -10.018 -7.111 1.00 0.03 H new ATOM 0 HB2 LYS A 39 2.855 -12.192 -7.311 1.00 73.33 H new ATOM 0 HB3 LYS A 39 3.190 -11.937 -9.012 1.00 73.33 H new ATOM 0 HG2 LYS A 39 4.726 -10.035 -8.363 1.00 65.34 H new ATOM 0 HG3 LYS A 39 4.464 -10.452 -6.681 1.00 65.34 H new ATOM 0 HD2 LYS A 39 5.631 -12.315 -8.793 1.00 52.54 H new ATOM 0 HD3 LYS A 39 6.560 -11.446 -7.588 1.00 52.54 H new ATOM 0 HE2 LYS A 39 5.355 -12.661 -5.777 1.00 11.14 H new ATOM 0 HE3 LYS A 39 4.413 -13.523 -6.977 1.00 11.14 H new ATOM 0 HZ1 LYS A 39 6.277 -14.842 -6.213 1.00 43.44 H new ATOM 0 HZ2 LYS A 39 6.462 -14.475 -7.861 1.00 43.44 H new ATOM 0 HZ3 LYS A 39 7.375 -13.640 -6.698 1.00 43.44 H new ATOM 602 N GLU A 40 2.755 -9.467 -10.227 1.00 21.02 N ATOM 603 CA GLU A 40 3.217 -8.451 -11.180 1.00 53.14 C ATOM 604 C GLU A 40 2.257 -7.247 -11.273 1.00 63.12 C ATOM 605 O GLU A 40 2.697 -6.100 -11.383 1.00 75.33 O ATOM 606 CB GLU A 40 3.389 -9.099 -12.560 1.00 4.23 C ATOM 607 CG GLU A 40 2.141 -9.827 -13.054 1.00 53.42 C ATOM 608 CD GLU A 40 2.371 -10.569 -14.360 1.00 14.34 C ATOM 609 OE1 GLU A 40 2.859 -11.716 -14.316 1.00 71.52 O ATOM 610 OE2 GLU A 40 2.063 -10.007 -15.432 1.00 2.41 O ATOM 0 H GLU A 40 2.685 -10.403 -10.626 1.00 21.02 H new ATOM 0 HA GLU A 40 4.171 -8.065 -10.821 1.00 53.14 H new ATOM 0 HB2 GLU A 40 3.660 -8.329 -13.282 1.00 4.23 H new ATOM 0 HB3 GLU A 40 4.219 -9.805 -12.520 1.00 4.23 H new ATOM 0 HG2 GLU A 40 1.813 -10.534 -12.292 1.00 53.42 H new ATOM 0 HG3 GLU A 40 1.334 -9.106 -13.188 1.00 53.42 H new ATOM 617 N ALA A 41 0.952 -7.514 -11.218 1.00 31.50 N ATOM 618 CA ALA A 41 -0.067 -6.460 -11.329 1.00 41.40 C ATOM 619 C ALA A 41 -0.091 -5.565 -10.082 1.00 33.43 C ATOM 620 O ALA A 41 -0.384 -4.371 -10.163 1.00 74.35 O ATOM 621 CB ALA A 41 -1.440 -7.080 -11.569 1.00 22.21 C ATOM 0 H ALA A 41 0.571 -8.452 -11.097 1.00 31.50 H new ATOM 0 HA ALA A 41 0.192 -5.830 -12.180 1.00 41.40 H new ATOM 0 HB1 ALA A 41 -2.187 -6.290 -11.650 1.00 22.21 H new ATOM 0 HB2 ALA A 41 -1.422 -7.658 -12.493 1.00 22.21 H new ATOM 0 HB3 ALA A 41 -1.694 -7.736 -10.736 1.00 22.21 H new ATOM 627 N LEU A 42 0.218 -6.149 -8.930 1.00 20.24 N ATOM 628 CA LEU A 42 0.274 -5.399 -7.672 1.00 24.32 C ATOM 629 C LEU A 42 1.569 -4.569 -7.594 1.00 51.14 C ATOM 630 O LEU A 42 1.541 -3.375 -7.279 1.00 2.14 O ATOM 631 CB LEU A 42 0.163 -6.378 -6.485 1.00 61.33 C ATOM 632 CG LEU A 42 -0.053 -5.753 -5.084 1.00 14.44 C ATOM 633 CD1 LEU A 42 -0.651 -6.783 -4.127 1.00 2.12 C ATOM 634 CD2 LEU A 42 1.255 -5.204 -4.504 1.00 35.20 C ATOM 0 H LEU A 42 0.435 -7.141 -8.837 1.00 20.24 H new ATOM 0 HA LEU A 42 -0.564 -4.703 -7.628 1.00 24.32 H new ATOM 0 HB2 LEU A 42 -0.663 -7.061 -6.684 1.00 61.33 H new ATOM 0 HB3 LEU A 42 1.072 -6.978 -6.453 1.00 61.33 H new ATOM 0 HG LEU A 42 -0.748 -4.922 -5.200 1.00 14.44 H new ATOM 0 HD11 LEU A 42 -0.796 -6.328 -3.147 1.00 2.12 H new ATOM 0 HD12 LEU A 42 -1.611 -7.125 -4.514 1.00 2.12 H new ATOM 0 HD13 LEU A 42 0.027 -7.632 -4.036 1.00 2.12 H new ATOM 0 HD21 LEU A 42 1.065 -4.773 -3.521 1.00 35.20 H new ATOM 0 HD22 LEU A 42 1.980 -6.013 -4.412 1.00 35.20 H new ATOM 0 HD23 LEU A 42 1.652 -4.435 -5.166 1.00 35.20 H new ATOM 646 N LEU A 43 2.697 -5.210 -7.898 1.00 13.10 N ATOM 647 CA LEU A 43 4.014 -4.562 -7.829 1.00 22.33 C ATOM 648 C LEU A 43 4.088 -3.300 -8.710 1.00 61.21 C ATOM 649 O LEU A 43 4.550 -2.248 -8.260 1.00 44.13 O ATOM 650 CB LEU A 43 5.116 -5.552 -8.237 1.00 5.33 C ATOM 651 CG LEU A 43 5.257 -6.794 -7.336 1.00 11.11 C ATOM 652 CD1 LEU A 43 6.383 -7.697 -7.833 1.00 61.54 C ATOM 653 CD2 LEU A 43 5.497 -6.387 -5.883 1.00 54.44 C ATOM 0 H LEU A 43 2.729 -6.185 -8.197 1.00 13.10 H new ATOM 0 HA LEU A 43 4.167 -4.251 -6.796 1.00 22.33 H new ATOM 0 HB2 LEU A 43 4.923 -5.884 -9.257 1.00 5.33 H new ATOM 0 HB3 LEU A 43 6.069 -5.023 -8.249 1.00 5.33 H new ATOM 0 HG LEU A 43 4.323 -7.353 -7.383 1.00 11.11 H new ATOM 0 HD11 LEU A 43 6.465 -8.568 -7.182 1.00 61.54 H new ATOM 0 HD12 LEU A 43 6.166 -8.023 -8.850 1.00 61.54 H new ATOM 0 HD13 LEU A 43 7.323 -7.146 -7.822 1.00 61.54 H new ATOM 0 HD21 LEU A 43 5.593 -7.280 -5.266 1.00 54.44 H new ATOM 0 HD22 LEU A 43 6.413 -5.799 -5.816 1.00 54.44 H new ATOM 0 HD23 LEU A 43 4.656 -5.790 -5.529 1.00 54.44 H new ATOM 665 N GLU A 44 3.622 -3.403 -9.958 1.00 52.44 N ATOM 666 CA GLU A 44 3.654 -2.262 -10.888 1.00 61.42 C ATOM 667 C GLU A 44 2.865 -1.058 -10.338 1.00 43.41 C ATOM 668 O GLU A 44 3.306 0.088 -10.440 1.00 55.03 O ATOM 669 CB GLU A 44 3.099 -2.658 -12.268 1.00 53.23 C ATOM 670 CG GLU A 44 1.620 -3.034 -12.263 1.00 71.32 C ATOM 671 CD GLU A 44 1.044 -3.212 -13.660 1.00 31.24 C ATOM 672 OE1 GLU A 44 0.659 -2.196 -14.282 1.00 14.11 O ATOM 673 OE2 GLU A 44 0.971 -4.362 -14.143 1.00 54.24 O ATOM 0 H GLU A 44 3.221 -4.255 -10.349 1.00 52.44 H new ATOM 0 HA GLU A 44 4.698 -1.969 -10.995 1.00 61.42 H new ATOM 0 HB2 GLU A 44 3.249 -1.829 -12.959 1.00 53.23 H new ATOM 0 HB3 GLU A 44 3.675 -3.500 -12.651 1.00 53.23 H new ATOM 0 HG2 GLU A 44 1.488 -3.959 -11.702 1.00 71.32 H new ATOM 0 HG3 GLU A 44 1.057 -2.261 -11.740 1.00 71.32 H new ATOM 680 N CYS A 45 1.704 -1.327 -9.742 1.00 30.44 N ATOM 681 CA CYS A 45 0.851 -0.265 -9.200 1.00 52.34 C ATOM 682 C CYS A 45 1.470 0.367 -7.944 1.00 13.45 C ATOM 683 O CYS A 45 1.405 1.580 -7.754 1.00 63.32 O ATOM 684 CB CYS A 45 -0.550 -0.807 -8.891 1.00 44.12 C ATOM 685 SG CYS A 45 -1.435 -1.414 -10.349 1.00 41.21 S ATOM 0 H CYS A 45 1.331 -2.269 -9.621 1.00 30.44 H new ATOM 0 HA CYS A 45 0.768 0.513 -9.958 1.00 52.34 H new ATOM 0 HB2 CYS A 45 -0.465 -1.616 -8.166 1.00 44.12 H new ATOM 0 HB3 CYS A 45 -1.139 -0.019 -8.422 1.00 44.12 H new ATOM 0 HG CYS A 45 -1.187 -2.680 -10.511 1.00 41.21 H new ATOM 691 N ALA A 46 2.076 -0.460 -7.095 1.00 53.30 N ATOM 692 CA ALA A 46 2.758 0.031 -5.891 1.00 74.03 C ATOM 693 C ALA A 46 3.979 0.899 -6.248 1.00 12.11 C ATOM 694 O ALA A 46 4.270 1.892 -5.577 1.00 50.42 O ATOM 695 CB ALA A 46 3.168 -1.140 -5.006 1.00 53.14 C ATOM 0 H ALA A 46 2.111 -1.472 -7.215 1.00 53.30 H new ATOM 0 HA ALA A 46 2.060 0.661 -5.340 1.00 74.03 H new ATOM 0 HB1 ALA A 46 3.673 -0.764 -4.116 1.00 53.14 H new ATOM 0 HB2 ALA A 46 2.281 -1.701 -4.711 1.00 53.14 H new ATOM 0 HB3 ALA A 46 3.844 -1.794 -5.558 1.00 53.14 H new ATOM 701 N ASP A 47 4.680 0.518 -7.317 1.00 73.24 N ATOM 702 CA ASP A 47 5.823 1.289 -7.830 1.00 71.03 C ATOM 703 C ASP A 47 5.418 2.740 -8.165 1.00 65.03 C ATOM 704 O ASP A 47 6.241 3.660 -8.123 1.00 25.44 O ATOM 705 CB ASP A 47 6.400 0.587 -9.068 1.00 63.10 C ATOM 706 CG ASP A 47 7.496 1.388 -9.753 1.00 63.12 C ATOM 707 OD1 ASP A 47 8.627 1.446 -9.225 1.00 12.12 O ATOM 708 OD2 ASP A 47 7.224 1.979 -10.822 1.00 24.12 O ATOM 0 H ASP A 47 4.477 -0.327 -7.851 1.00 73.24 H new ATOM 0 HA ASP A 47 6.587 1.336 -7.054 1.00 71.03 H new ATOM 0 HB2 ASP A 47 6.798 -0.384 -8.775 1.00 63.10 H new ATOM 0 HB3 ASP A 47 5.596 0.400 -9.780 1.00 63.10 H new ATOM 713 N LEU A 48 4.145 2.943 -8.498 1.00 74.31 N ATOM 714 CA LEU A 48 3.624 4.290 -8.744 1.00 31.35 C ATOM 715 C LEU A 48 3.668 5.142 -7.467 1.00 14.12 C ATOM 716 O LEU A 48 4.054 6.306 -7.503 1.00 10.33 O ATOM 717 CB LEU A 48 2.192 4.222 -9.291 1.00 54.23 C ATOM 718 CG LEU A 48 2.064 3.632 -10.703 1.00 72.22 C ATOM 719 CD1 LEU A 48 0.598 3.505 -11.110 1.00 10.04 C ATOM 720 CD2 LEU A 48 2.835 4.492 -11.703 1.00 1.05 C ATOM 0 H LEU A 48 3.457 2.198 -8.604 1.00 74.31 H new ATOM 0 HA LEU A 48 4.261 4.765 -9.490 1.00 31.35 H new ATOM 0 HB2 LEU A 48 1.586 3.626 -8.608 1.00 54.23 H new ATOM 0 HB3 LEU A 48 1.772 5.228 -9.294 1.00 54.23 H new ATOM 0 HG LEU A 48 2.495 2.631 -10.701 1.00 72.22 H new ATOM 0 HD11 LEU A 48 0.534 3.085 -12.114 1.00 10.04 H new ATOM 0 HD12 LEU A 48 0.081 2.850 -10.409 1.00 10.04 H new ATOM 0 HD13 LEU A 48 0.131 4.490 -11.098 1.00 10.04 H new ATOM 0 HD21 LEU A 48 2.738 4.065 -12.701 1.00 1.05 H new ATOM 0 HD22 LEU A 48 2.430 5.504 -11.700 1.00 1.05 H new ATOM 0 HD23 LEU A 48 3.888 4.521 -11.422 1.00 1.05 H new ATOM 732 N LEU A 49 3.293 4.540 -6.338 1.00 11.55 N ATOM 733 CA LEU A 49 3.290 5.246 -5.050 1.00 12.01 C ATOM 734 C LEU A 49 4.714 5.591 -4.597 1.00 4.53 C ATOM 735 O LEU A 49 4.975 6.711 -4.165 1.00 51.25 O ATOM 736 CB LEU A 49 2.581 4.413 -3.962 1.00 44.53 C ATOM 737 CG LEU A 49 1.050 4.291 -4.099 1.00 3.11 C ATOM 738 CD1 LEU A 49 0.662 3.534 -5.367 1.00 53.22 C ATOM 739 CD2 LEU A 49 0.451 3.617 -2.865 1.00 1.50 C ATOM 0 H LEU A 49 2.988 3.568 -6.286 1.00 11.55 H new ATOM 0 HA LEU A 49 2.740 6.176 -5.195 1.00 12.01 H new ATOM 0 HB2 LEU A 49 3.008 3.410 -3.964 1.00 44.53 H new ATOM 0 HB3 LEU A 49 2.806 4.853 -2.990 1.00 44.53 H new ATOM 0 HG LEU A 49 0.642 5.299 -4.176 1.00 3.11 H new ATOM 0 HD11 LEU A 49 -0.424 3.466 -5.432 1.00 53.22 H new ATOM 0 HD12 LEU A 49 1.046 4.064 -6.239 1.00 53.22 H new ATOM 0 HD13 LEU A 49 1.087 2.531 -5.336 1.00 53.22 H new ATOM 0 HD21 LEU A 49 -0.630 3.540 -2.981 1.00 1.50 H new ATOM 0 HD22 LEU A 49 0.876 2.619 -2.753 1.00 1.50 H new ATOM 0 HD23 LEU A 49 0.680 4.210 -1.979 1.00 1.50 H new ATOM 751 N SER A 50 5.632 4.628 -4.706 1.00 41.43 N ATOM 752 CA SER A 50 7.032 4.841 -4.303 1.00 43.35 C ATOM 753 C SER A 50 7.632 6.071 -5.001 1.00 31.11 C ATOM 754 O SER A 50 8.197 6.954 -4.352 1.00 45.25 O ATOM 755 CB SER A 50 7.881 3.603 -4.622 1.00 52.32 C ATOM 756 OG SER A 50 7.893 3.335 -6.013 1.00 73.13 O ATOM 0 H SER A 50 5.436 3.695 -5.068 1.00 41.43 H new ATOM 0 HA SER A 50 7.040 5.014 -3.227 1.00 43.35 H new ATOM 0 HB2 SER A 50 8.901 3.758 -4.270 1.00 52.32 H new ATOM 0 HB3 SER A 50 7.486 2.740 -4.086 1.00 52.32 H new ATOM 0 HG SER A 50 7.000 3.494 -6.385 1.00 73.13 H new ATOM 762 N SER A 51 7.503 6.126 -6.326 1.00 24.21 N ATOM 763 CA SER A 51 7.966 7.291 -7.099 1.00 50.34 C ATOM 764 C SER A 51 7.163 8.551 -6.751 1.00 14.32 C ATOM 765 O SER A 51 7.737 9.609 -6.484 1.00 53.34 O ATOM 766 CB SER A 51 7.865 7.028 -8.609 1.00 64.31 C ATOM 767 OG SER A 51 8.292 8.157 -9.362 1.00 71.11 O ATOM 0 H SER A 51 7.085 5.385 -6.889 1.00 24.21 H new ATOM 0 HA SER A 51 9.010 7.454 -6.832 1.00 50.34 H new ATOM 0 HB2 SER A 51 8.474 6.163 -8.871 1.00 64.31 H new ATOM 0 HB3 SER A 51 6.835 6.783 -8.869 1.00 64.31 H new ATOM 0 HG SER A 51 7.567 8.814 -9.406 1.00 71.11 H new ATOM 773 N ALA A 52 5.837 8.423 -6.741 1.00 62.41 N ATOM 774 CA ALA A 52 4.939 9.555 -6.473 1.00 10.54 C ATOM 775 C ALA A 52 5.243 10.249 -5.135 1.00 31.12 C ATOM 776 O ALA A 52 5.134 11.464 -5.020 1.00 24.20 O ATOM 777 CB ALA A 52 3.486 9.089 -6.506 1.00 44.21 C ATOM 0 H ALA A 52 5.354 7.542 -6.916 1.00 62.41 H new ATOM 0 HA ALA A 52 5.108 10.291 -7.259 1.00 10.54 H new ATOM 0 HB1 ALA A 52 2.828 9.935 -6.306 1.00 44.21 H new ATOM 0 HB2 ALA A 52 3.258 8.676 -7.489 1.00 44.21 H new ATOM 0 HB3 ALA A 52 3.332 8.323 -5.746 1.00 44.21 H new ATOM 783 N LEU A 53 5.626 9.469 -4.128 1.00 20.20 N ATOM 784 CA LEU A 53 5.944 10.015 -2.801 1.00 51.03 C ATOM 785 C LEU A 53 7.293 10.761 -2.779 1.00 12.31 C ATOM 786 O LEU A 53 7.541 11.580 -1.892 1.00 54.42 O ATOM 787 CB LEU A 53 5.947 8.887 -1.758 1.00 72.24 C ATOM 788 CG LEU A 53 4.580 8.224 -1.511 1.00 14.03 C ATOM 789 CD1 LEU A 53 4.721 7.008 -0.599 1.00 30.33 C ATOM 790 CD2 LEU A 53 3.591 9.230 -0.924 1.00 61.20 C ATOM 0 H LEU A 53 5.725 8.456 -4.200 1.00 20.20 H new ATOM 0 HA LEU A 53 5.171 10.743 -2.556 1.00 51.03 H new ATOM 0 HB2 LEU A 53 6.653 8.120 -2.077 1.00 72.24 H new ATOM 0 HB3 LEU A 53 6.316 9.287 -0.813 1.00 72.24 H new ATOM 0 HG LEU A 53 4.191 7.882 -2.470 1.00 14.03 H new ATOM 0 HD11 LEU A 53 3.741 6.557 -0.440 1.00 30.33 H new ATOM 0 HD12 LEU A 53 5.385 6.279 -1.064 1.00 30.33 H new ATOM 0 HD13 LEU A 53 5.138 7.318 0.359 1.00 30.33 H new ATOM 0 HD21 LEU A 53 2.631 8.741 -0.757 1.00 61.20 H new ATOM 0 HD22 LEU A 53 3.976 9.608 0.023 1.00 61.20 H new ATOM 0 HD23 LEU A 53 3.460 10.059 -1.619 1.00 61.20 H new ATOM 802 N THR A 54 8.168 10.473 -3.742 1.00 73.42 N ATOM 803 CA THR A 54 9.475 11.149 -3.815 1.00 22.33 C ATOM 804 C THR A 54 9.410 12.413 -4.684 1.00 22.23 C ATOM 805 O THR A 54 10.116 13.392 -4.429 1.00 74.23 O ATOM 806 CB THR A 54 10.588 10.226 -4.372 1.00 74.30 C ATOM 807 OG1 THR A 54 10.356 9.937 -5.760 1.00 43.22 O ATOM 808 CG2 THR A 54 10.662 8.923 -3.583 1.00 63.42 C ATOM 0 H THR A 54 8.004 9.785 -4.477 1.00 73.42 H new ATOM 0 HA THR A 54 9.722 11.420 -2.789 1.00 22.33 H new ATOM 0 HB THR A 54 11.538 10.751 -4.270 1.00 74.30 H new ATOM 0 HG1 THR A 54 9.392 9.884 -5.926 1.00 43.22 H new ATOM 0 HG21 THR A 54 11.451 8.293 -3.994 1.00 63.42 H new ATOM 0 HG22 THR A 54 10.880 9.142 -2.538 1.00 63.42 H new ATOM 0 HG23 THR A 54 9.708 8.401 -3.652 1.00 63.42 H new ATOM 816 N GLU A 55 8.567 12.382 -5.713 1.00 51.23 N ATOM 817 CA GLU A 55 8.370 13.534 -6.607 1.00 71.12 C ATOM 818 C GLU A 55 7.163 14.380 -6.147 1.00 64.44 C ATOM 819 O GLU A 55 6.382 13.940 -5.303 1.00 43.43 O ATOM 820 CB GLU A 55 8.152 13.045 -8.051 1.00 30.03 C ATOM 821 CG GLU A 55 6.888 12.210 -8.238 1.00 61.22 C ATOM 822 CD GLU A 55 6.677 11.778 -9.680 1.00 11.33 C ATOM 823 OE1 GLU A 55 6.431 12.656 -10.534 1.00 12.44 O ATOM 824 OE2 GLU A 55 6.751 10.560 -9.968 1.00 2.31 O ATOM 0 H GLU A 55 8.002 11.568 -5.955 1.00 51.23 H new ATOM 0 HA GLU A 55 9.262 14.159 -6.571 1.00 71.12 H new ATOM 0 HB2 GLU A 55 8.106 13.909 -8.714 1.00 30.03 H new ATOM 0 HB3 GLU A 55 9.015 12.454 -8.358 1.00 30.03 H new ATOM 0 HG2 GLU A 55 6.945 11.326 -7.603 1.00 61.22 H new ATOM 0 HG3 GLU A 55 6.025 12.786 -7.906 1.00 61.22 H new ATOM 831 N PRO A 56 6.991 15.616 -6.660 1.00 41.12 N ATOM 832 CA PRO A 56 5.802 16.416 -6.335 1.00 73.43 C ATOM 833 C PRO A 56 4.533 15.903 -7.045 1.00 21.20 C ATOM 834 O PRO A 56 4.475 15.833 -8.274 1.00 44.42 O ATOM 835 CB PRO A 56 6.181 17.816 -6.833 1.00 50.33 C ATOM 836 CG PRO A 56 7.160 17.573 -7.938 1.00 63.31 C ATOM 837 CD PRO A 56 7.926 16.332 -7.552 1.00 43.14 C ATOM 0 HA PRO A 56 5.556 16.378 -5.274 1.00 73.43 H new ATOM 0 HB2 PRO A 56 5.306 18.359 -7.191 1.00 50.33 H new ATOM 0 HB3 PRO A 56 6.623 18.414 -6.036 1.00 50.33 H new ATOM 0 HG2 PRO A 56 6.647 17.434 -8.890 1.00 63.31 H new ATOM 0 HG3 PRO A 56 7.831 18.424 -8.058 1.00 63.31 H new ATOM 0 HD2 PRO A 56 8.187 15.733 -8.425 1.00 43.14 H new ATOM 0 HD3 PRO A 56 8.858 16.577 -7.043 1.00 43.14 H new ATOM 845 N VAL A 57 3.513 15.556 -6.263 1.00 1.02 N ATOM 846 CA VAL A 57 2.227 15.090 -6.801 1.00 35.43 C ATOM 847 C VAL A 57 1.060 15.629 -5.961 1.00 12.42 C ATOM 848 O VAL A 57 1.228 15.913 -4.774 1.00 64.32 O ATOM 849 CB VAL A 57 2.142 13.540 -6.844 1.00 65.14 C ATOM 850 CG1 VAL A 57 3.088 12.959 -7.896 1.00 15.25 C ATOM 851 CG2 VAL A 57 2.432 12.949 -5.466 1.00 65.43 C ATOM 0 H VAL A 57 3.549 15.588 -5.244 1.00 1.02 H new ATOM 0 HA VAL A 57 2.158 15.470 -7.820 1.00 35.43 H new ATOM 0 HB VAL A 57 1.126 13.268 -7.129 1.00 65.14 H new ATOM 0 HG11 VAL A 57 3.004 11.872 -7.900 1.00 15.25 H new ATOM 0 HG12 VAL A 57 2.822 13.347 -8.879 1.00 15.25 H new ATOM 0 HG13 VAL A 57 4.114 13.243 -7.659 1.00 15.25 H new ATOM 0 HG21 VAL A 57 2.368 11.862 -5.515 1.00 65.43 H new ATOM 0 HG22 VAL A 57 3.434 13.239 -5.149 1.00 65.43 H new ATOM 0 HG23 VAL A 57 1.702 13.323 -4.749 1.00 65.43 H new ATOM 861 N PRO A 58 -0.139 15.786 -6.557 1.00 40.02 N ATOM 862 CA PRO A 58 -1.326 16.247 -5.819 1.00 54.10 C ATOM 863 C PRO A 58 -1.852 15.194 -4.823 1.00 74.10 C ATOM 864 O PRO A 58 -1.877 13.995 -5.121 1.00 65.45 O ATOM 865 CB PRO A 58 -2.353 16.517 -6.928 1.00 42.24 C ATOM 866 CG PRO A 58 -1.938 15.630 -8.053 1.00 23.35 C ATOM 867 CD PRO A 58 -0.435 15.538 -7.985 1.00 5.21 C ATOM 0 HA PRO A 58 -1.109 17.120 -5.204 1.00 54.10 H new ATOM 0 HB2 PRO A 58 -3.365 16.287 -6.595 1.00 42.24 H new ATOM 0 HB3 PRO A 58 -2.346 17.565 -7.227 1.00 42.24 H new ATOM 0 HG2 PRO A 58 -2.393 14.644 -7.959 1.00 23.35 H new ATOM 0 HG3 PRO A 58 -2.260 16.040 -9.010 1.00 23.35 H new ATOM 0 HD2 PRO A 58 -0.078 14.559 -8.305 1.00 5.21 H new ATOM 0 HD3 PRO A 58 0.042 16.277 -8.628 1.00 5.21 H new ATOM 875 N ASN A 59 -2.277 15.652 -3.643 1.00 13.14 N ATOM 876 CA ASN A 59 -2.805 14.760 -2.596 1.00 72.52 C ATOM 877 C ASN A 59 -3.910 13.830 -3.136 1.00 72.33 C ATOM 878 O ASN A 59 -3.981 12.653 -2.774 1.00 4.21 O ATOM 879 CB ASN A 59 -3.329 15.595 -1.418 1.00 11.03 C ATOM 880 CG ASN A 59 -4.001 14.752 -0.346 1.00 54.31 C ATOM 881 OD1 ASN A 59 -5.212 14.574 -0.348 1.00 24.55 O ATOM 882 ND2 ASN A 59 -3.221 14.221 0.576 1.00 61.42 N ATOM 0 H ASN A 59 -2.267 16.638 -3.384 1.00 13.14 H new ATOM 0 HA ASN A 59 -1.989 14.123 -2.253 1.00 72.52 H new ATOM 0 HB2 ASN A 59 -2.500 16.146 -0.973 1.00 11.03 H new ATOM 0 HB3 ASN A 59 -4.039 16.333 -1.790 1.00 11.03 H new ATOM 0 HD21 ASN A 59 -3.624 13.644 1.314 1.00 61.42 H new ATOM 0 HD22 ASN A 59 -2.215 14.388 0.551 1.00 61.42 H new ATOM 889 N SER A 60 -4.755 14.368 -4.015 1.00 44.00 N ATOM 890 CA SER A 60 -5.825 13.591 -4.664 1.00 2.14 C ATOM 891 C SER A 60 -5.264 12.366 -5.398 1.00 51.21 C ATOM 892 O SER A 60 -5.796 11.263 -5.282 1.00 53.45 O ATOM 893 CB SER A 60 -6.592 14.474 -5.659 1.00 75.40 C ATOM 894 OG SER A 60 -5.728 14.962 -6.679 1.00 70.02 O ATOM 0 H SER A 60 -4.723 15.347 -4.300 1.00 44.00 H new ATOM 0 HA SER A 60 -6.501 13.244 -3.882 1.00 2.14 H new ATOM 0 HB2 SER A 60 -7.404 13.902 -6.108 1.00 75.40 H new ATOM 0 HB3 SER A 60 -7.047 15.312 -5.131 1.00 75.40 H new ATOM 0 HG SER A 60 -6.239 15.520 -7.301 1.00 70.02 H new ATOM 900 N GLN A 61 -4.181 12.571 -6.151 1.00 21.14 N ATOM 901 CA GLN A 61 -3.520 11.485 -6.884 1.00 21.01 C ATOM 902 C GLN A 61 -3.069 10.372 -5.923 1.00 35.03 C ATOM 903 O GLN A 61 -3.344 9.195 -6.151 1.00 3.33 O ATOM 904 CB GLN A 61 -2.325 12.048 -7.683 1.00 72.20 C ATOM 905 CG GLN A 61 -1.617 11.044 -8.600 1.00 44.43 C ATOM 906 CD GLN A 61 -0.645 10.123 -7.872 1.00 40.14 C ATOM 907 OE1 GLN A 61 -0.075 10.482 -6.852 1.00 3.54 O ATOM 908 NE2 GLN A 61 -0.439 8.933 -8.401 1.00 70.04 N ATOM 0 H GLN A 61 -3.740 13.483 -6.270 1.00 21.14 H new ATOM 0 HA GLN A 61 -4.231 11.046 -7.584 1.00 21.01 H new ATOM 0 HB2 GLN A 61 -2.676 12.883 -8.289 1.00 72.20 H new ATOM 0 HB3 GLN A 61 -1.596 12.449 -6.979 1.00 72.20 H new ATOM 0 HG2 GLN A 61 -2.368 10.437 -9.106 1.00 44.43 H new ATOM 0 HG3 GLN A 61 -1.075 11.591 -9.372 1.00 44.43 H new ATOM 0 HE21 GLN A 61 -0.930 8.662 -9.253 1.00 70.04 H new ATOM 0 HE22 GLN A 61 0.211 8.284 -7.958 1.00 70.04 H new ATOM 917 N LEU A 62 -2.387 10.760 -4.846 1.00 13.25 N ATOM 918 CA LEU A 62 -1.918 9.805 -3.831 1.00 25.24 C ATOM 919 C LEU A 62 -3.072 8.985 -3.234 1.00 32.14 C ATOM 920 O LEU A 62 -3.051 7.751 -3.260 1.00 4.15 O ATOM 921 CB LEU A 62 -1.177 10.549 -2.710 1.00 5.53 C ATOM 922 CG LEU A 62 0.140 11.223 -3.127 1.00 3.23 C ATOM 923 CD1 LEU A 62 0.721 12.035 -1.973 1.00 62.43 C ATOM 924 CD2 LEU A 62 1.145 10.181 -3.619 1.00 21.13 C ATOM 0 H LEU A 62 -2.144 11.731 -4.650 1.00 13.25 H new ATOM 0 HA LEU A 62 -1.239 9.111 -4.326 1.00 25.24 H new ATOM 0 HB2 LEU A 62 -1.841 11.310 -2.301 1.00 5.53 H new ATOM 0 HB3 LEU A 62 -0.966 9.844 -1.906 1.00 5.53 H new ATOM 0 HG LEU A 62 -0.071 11.907 -3.949 1.00 3.23 H new ATOM 0 HD11 LEU A 62 1.653 12.503 -2.290 1.00 62.43 H new ATOM 0 HD12 LEU A 62 0.010 12.806 -1.677 1.00 62.43 H new ATOM 0 HD13 LEU A 62 0.916 11.376 -1.127 1.00 62.43 H new ATOM 0 HD21 LEU A 62 2.071 10.677 -3.910 1.00 21.13 H new ATOM 0 HD22 LEU A 62 1.351 9.468 -2.820 1.00 21.13 H new ATOM 0 HD23 LEU A 62 0.731 9.653 -4.478 1.00 21.13 H new ATOM 936 N VAL A 63 -4.078 9.674 -2.700 1.00 11.31 N ATOM 937 CA VAL A 63 -5.216 9.009 -2.051 1.00 60.34 C ATOM 938 C VAL A 63 -6.008 8.130 -3.039 1.00 15.05 C ATOM 939 O VAL A 63 -6.354 6.985 -2.730 1.00 50.54 O ATOM 940 CB VAL A 63 -6.169 10.044 -1.398 1.00 0.24 C ATOM 941 CG1 VAL A 63 -7.336 9.352 -0.692 1.00 54.15 C ATOM 942 CG2 VAL A 63 -5.406 10.942 -0.426 1.00 23.31 C ATOM 0 H VAL A 63 -4.132 10.693 -2.702 1.00 11.31 H new ATOM 0 HA VAL A 63 -4.802 8.365 -1.276 1.00 60.34 H new ATOM 0 HB VAL A 63 -6.580 10.668 -2.192 1.00 0.24 H new ATOM 0 HG11 VAL A 63 -7.987 10.103 -0.244 1.00 54.15 H new ATOM 0 HG12 VAL A 63 -7.903 8.766 -1.415 1.00 54.15 H new ATOM 0 HG13 VAL A 63 -6.951 8.694 0.087 1.00 54.15 H new ATOM 0 HG21 VAL A 63 -6.093 11.661 0.021 1.00 23.31 H new ATOM 0 HG22 VAL A 63 -4.958 10.332 0.358 1.00 23.31 H new ATOM 0 HG23 VAL A 63 -4.622 11.475 -0.963 1.00 23.31 H new ATOM 952 N ASP A 64 -6.282 8.660 -4.232 1.00 53.44 N ATOM 953 CA ASP A 64 -7.047 7.924 -5.247 1.00 74.14 C ATOM 954 C ASP A 64 -6.281 6.685 -5.738 1.00 52.43 C ATOM 955 O ASP A 64 -6.835 5.586 -5.800 1.00 74.43 O ATOM 956 CB ASP A 64 -7.399 8.844 -6.423 1.00 62.25 C ATOM 957 CG ASP A 64 -8.294 8.160 -7.440 1.00 50.41 C ATOM 958 OD1 ASP A 64 -9.440 7.802 -7.084 1.00 2.01 O ATOM 959 OD2 ASP A 64 -7.864 7.982 -8.598 1.00 24.32 O ATOM 0 H ASP A 64 -5.988 9.593 -4.521 1.00 53.44 H new ATOM 0 HA ASP A 64 -7.972 7.579 -4.785 1.00 74.14 H new ATOM 0 HB2 ASP A 64 -7.897 9.737 -6.046 1.00 62.25 H new ATOM 0 HB3 ASP A 64 -6.482 9.173 -6.912 1.00 62.25 H new ATOM 964 N THR A 65 -5.002 6.862 -6.071 1.00 51.45 N ATOM 965 CA THR A 65 -4.145 5.737 -6.473 1.00 72.42 C ATOM 966 C THR A 65 -4.014 4.719 -5.333 1.00 11.01 C ATOM 967 O THR A 65 -3.916 3.514 -5.567 1.00 41.33 O ATOM 968 CB THR A 65 -2.729 6.211 -6.893 1.00 10.13 C ATOM 969 OG1 THR A 65 -2.827 7.223 -7.907 1.00 42.31 O ATOM 970 CG2 THR A 65 -1.886 5.053 -7.422 1.00 43.24 C ATOM 0 H THR A 65 -4.534 7.769 -6.072 1.00 51.45 H new ATOM 0 HA THR A 65 -4.624 5.268 -7.333 1.00 72.42 H new ATOM 0 HB THR A 65 -2.243 6.618 -6.007 1.00 10.13 H new ATOM 0 HG1 THR A 65 -3.025 8.087 -7.489 1.00 42.31 H new ATOM 0 HG21 THR A 65 -0.900 5.421 -7.707 1.00 43.24 H new ATOM 0 HG22 THR A 65 -1.780 4.296 -6.645 1.00 43.24 H new ATOM 0 HG23 THR A 65 -2.375 4.615 -8.292 1.00 43.24 H new ATOM 978 N GLY A 66 -4.014 5.215 -4.096 1.00 34.42 N ATOM 979 CA GLY A 66 -3.985 4.337 -2.934 1.00 32.35 C ATOM 980 C GLY A 66 -5.243 3.478 -2.805 1.00 23.11 C ATOM 981 O GLY A 66 -5.187 2.357 -2.294 1.00 21.21 O ATOM 0 H GLY A 66 -4.034 6.211 -3.877 1.00 34.42 H new ATOM 0 HA2 GLY A 66 -3.112 3.687 -2.998 1.00 32.35 H new ATOM 0 HA3 GLY A 66 -3.868 4.939 -2.033 1.00 32.35 H new ATOM 985 N HIS A 67 -6.382 4.000 -3.274 1.00 41.21 N ATOM 986 CA HIS A 67 -7.650 3.258 -3.229 1.00 20.13 C ATOM 987 C HIS A 67 -7.528 1.897 -3.930 1.00 23.11 C ATOM 988 O HIS A 67 -7.851 0.856 -3.350 1.00 33.40 O ATOM 989 CB HIS A 67 -8.789 4.057 -3.879 1.00 21.43 C ATOM 990 CG HIS A 67 -9.145 5.329 -3.169 1.00 25.13 C ATOM 991 ND1 HIS A 67 -9.668 6.423 -3.822 1.00 64.13 N ATOM 992 CD2 HIS A 67 -9.090 5.672 -1.857 1.00 12.44 C ATOM 993 CE1 HIS A 67 -9.914 7.379 -2.951 1.00 44.20 C ATOM 994 NE2 HIS A 67 -9.575 6.953 -1.752 1.00 54.31 N ATOM 0 H HIS A 67 -6.453 4.930 -3.688 1.00 41.21 H new ATOM 0 HA HIS A 67 -7.882 3.097 -2.176 1.00 20.13 H new ATOM 0 HB2 HIS A 67 -8.508 4.296 -4.905 1.00 21.43 H new ATOM 0 HB3 HIS A 67 -9.675 3.425 -3.930 1.00 21.43 H new ATOM 0 HD2 HIS A 67 -8.732 5.054 -1.047 1.00 12.44 H new ATOM 0 HE1 HIS A 67 -10.325 8.351 -3.181 1.00 44.20 H new ATOM 0 HE2 HIS A 67 -9.659 7.487 -0.887 1.00 54.31 H new ATOM 1003 N GLN A 68 -7.058 1.904 -5.177 1.00 40.45 N ATOM 1004 CA GLN A 68 -6.915 0.660 -5.938 1.00 71.35 C ATOM 1005 C GLN A 68 -5.927 -0.297 -5.257 1.00 11.35 C ATOM 1006 O GLN A 68 -6.123 -1.509 -5.269 1.00 41.21 O ATOM 1007 CB GLN A 68 -6.486 0.931 -7.389 1.00 44.11 C ATOM 1008 CG GLN A 68 -5.097 1.540 -7.547 1.00 60.32 C ATOM 1009 CD GLN A 68 -4.649 1.610 -8.998 1.00 4.44 C ATOM 1010 OE1 GLN A 68 -5.035 0.786 -9.819 1.00 54.30 O ATOM 1011 NE2 GLN A 68 -3.833 2.591 -9.323 1.00 53.32 N ATOM 0 H GLN A 68 -6.772 2.745 -5.678 1.00 40.45 H new ATOM 0 HA GLN A 68 -7.895 0.183 -5.961 1.00 71.35 H new ATOM 0 HB2 GLN A 68 -6.520 -0.007 -7.943 1.00 44.11 H new ATOM 0 HB3 GLN A 68 -7.214 1.600 -7.848 1.00 44.11 H new ATOM 0 HG2 GLN A 68 -5.094 2.543 -7.121 1.00 60.32 H new ATOM 0 HG3 GLN A 68 -4.379 0.950 -6.977 1.00 60.32 H new ATOM 0 HE21 GLN A 68 -3.532 3.260 -8.614 1.00 53.32 H new ATOM 0 HE22 GLN A 68 -3.502 2.682 -10.284 1.00 53.32 H new ATOM 1020 N LEU A 69 -4.870 0.251 -4.651 1.00 0.23 N ATOM 1021 CA LEU A 69 -3.920 -0.559 -3.877 1.00 2.22 C ATOM 1022 C LEU A 69 -4.636 -1.337 -2.760 1.00 4.40 C ATOM 1023 O LEU A 69 -4.305 -2.490 -2.487 1.00 22.02 O ATOM 1024 CB LEU A 69 -2.796 0.321 -3.291 1.00 31.32 C ATOM 1025 CG LEU A 69 -1.509 0.405 -4.133 1.00 44.53 C ATOM 1026 CD1 LEU A 69 -0.839 -0.965 -4.231 1.00 54.41 C ATOM 1027 CD2 LEU A 69 -1.795 0.959 -5.526 1.00 10.11 C ATOM 0 H LEU A 69 -4.650 1.246 -4.680 1.00 0.23 H new ATOM 0 HA LEU A 69 -3.469 -1.282 -4.557 1.00 2.22 H new ATOM 0 HB2 LEU A 69 -3.184 1.330 -3.152 1.00 31.32 H new ATOM 0 HB3 LEU A 69 -2.538 -0.060 -2.303 1.00 31.32 H new ATOM 0 HG LEU A 69 -0.827 1.091 -3.631 1.00 44.53 H new ATOM 0 HD11 LEU A 69 0.068 -0.884 -4.830 1.00 54.41 H new ATOM 0 HD12 LEU A 69 -0.584 -1.318 -3.232 1.00 54.41 H new ATOM 0 HD13 LEU A 69 -1.523 -1.672 -4.702 1.00 54.41 H new ATOM 0 HD21 LEU A 69 -0.867 1.006 -6.096 1.00 10.11 H new ATOM 0 HD22 LEU A 69 -2.503 0.308 -6.038 1.00 10.11 H new ATOM 0 HD23 LEU A 69 -2.219 1.959 -5.440 1.00 10.11 H new ATOM 1039 N LEU A 70 -5.624 -0.706 -2.127 1.00 60.33 N ATOM 1040 CA LEU A 70 -6.442 -1.377 -1.109 1.00 41.21 C ATOM 1041 C LEU A 70 -7.217 -2.565 -1.707 1.00 33.14 C ATOM 1042 O LEU A 70 -7.270 -3.642 -1.110 1.00 75.04 O ATOM 1043 CB LEU A 70 -7.414 -0.381 -0.447 1.00 65.12 C ATOM 1044 CG LEU A 70 -6.905 0.279 0.848 1.00 4.52 C ATOM 1045 CD1 LEU A 70 -6.754 -0.762 1.953 1.00 32.02 C ATOM 1046 CD2 LEU A 70 -5.581 0.999 0.609 1.00 11.50 C ATOM 0 H LEU A 70 -5.880 0.267 -2.298 1.00 60.33 H new ATOM 0 HA LEU A 70 -5.767 -1.765 -0.346 1.00 41.21 H new ATOM 0 HB2 LEU A 70 -7.649 0.404 -1.166 1.00 65.12 H new ATOM 0 HB3 LEU A 70 -8.346 -0.901 -0.227 1.00 65.12 H new ATOM 0 HG LEU A 70 -7.641 1.018 1.164 1.00 4.52 H new ATOM 0 HD11 LEU A 70 -6.393 -0.279 2.861 1.00 32.02 H new ATOM 0 HD12 LEU A 70 -7.720 -1.228 2.149 1.00 32.02 H new ATOM 0 HD13 LEU A 70 -6.041 -1.524 1.640 1.00 32.02 H new ATOM 0 HD21 LEU A 70 -5.243 1.457 1.539 1.00 11.50 H new ATOM 0 HD22 LEU A 70 -4.835 0.283 0.264 1.00 11.50 H new ATOM 0 HD23 LEU A 70 -5.719 1.772 -0.147 1.00 11.50 H new ATOM 1058 N ASP A 71 -7.811 -2.368 -2.884 1.00 43.25 N ATOM 1059 CA ASP A 71 -8.558 -3.437 -3.560 1.00 43.53 C ATOM 1060 C ASP A 71 -7.622 -4.600 -3.937 1.00 75.42 C ATOM 1061 O ASP A 71 -7.880 -5.761 -3.600 1.00 2.14 O ATOM 1062 CB ASP A 71 -9.249 -2.890 -4.816 1.00 2.45 C ATOM 1063 CG ASP A 71 -10.276 -3.861 -5.378 1.00 2.13 C ATOM 1064 OD1 ASP A 71 -9.901 -4.780 -6.139 1.00 64.35 O ATOM 1065 OD2 ASP A 71 -11.472 -3.721 -5.043 1.00 34.11 O ATOM 0 H ASP A 71 -7.792 -1.483 -3.390 1.00 43.25 H new ATOM 0 HA ASP A 71 -9.317 -3.812 -2.873 1.00 43.53 H new ATOM 0 HB2 ASP A 71 -9.738 -1.945 -4.577 1.00 2.45 H new ATOM 0 HB3 ASP A 71 -8.499 -2.677 -5.577 1.00 2.45 H new ATOM 1070 N TYR A 72 -6.529 -4.271 -4.621 1.00 24.14 N ATOM 1071 CA TYR A 72 -5.535 -5.267 -5.038 1.00 10.50 C ATOM 1072 C TYR A 72 -4.975 -6.042 -3.833 1.00 24.20 C ATOM 1073 O TYR A 72 -4.909 -7.269 -3.851 1.00 20.35 O ATOM 1074 CB TYR A 72 -4.387 -4.586 -5.804 1.00 14.44 C ATOM 1075 CG TYR A 72 -4.758 -4.104 -7.201 1.00 60.43 C ATOM 1076 CD1 TYR A 72 -5.950 -3.427 -7.441 1.00 33.41 C ATOM 1077 CD2 TYR A 72 -3.903 -4.317 -8.281 1.00 13.02 C ATOM 1078 CE1 TYR A 72 -6.282 -2.985 -8.706 1.00 33.43 C ATOM 1079 CE2 TYR A 72 -4.230 -3.876 -9.551 1.00 70.12 C ATOM 1080 CZ TYR A 72 -5.420 -3.210 -9.756 1.00 2.33 C ATOM 1081 OH TYR A 72 -5.749 -2.763 -11.019 1.00 72.34 O ATOM 0 H TYR A 72 -6.305 -3.316 -4.902 1.00 24.14 H new ATOM 0 HA TYR A 72 -6.034 -5.979 -5.695 1.00 10.50 H new ATOM 0 HB2 TYR A 72 -4.033 -3.735 -5.222 1.00 14.44 H new ATOM 0 HB3 TYR A 72 -3.555 -5.286 -5.884 1.00 14.44 H new ATOM 0 HD1 TYR A 72 -6.629 -3.244 -6.621 1.00 33.41 H new ATOM 0 HD2 TYR A 72 -2.969 -4.835 -8.124 1.00 13.02 H new ATOM 0 HE1 TYR A 72 -7.214 -2.465 -8.871 1.00 33.43 H new ATOM 0 HE2 TYR A 72 -3.557 -4.052 -10.377 1.00 70.12 H new ATOM 0 HH TYR A 72 -5.035 -3.001 -11.646 1.00 72.34 H new ATOM 1091 N CYS A 73 -4.583 -5.318 -2.786 1.00 11.23 N ATOM 1092 CA CYS A 73 -4.009 -5.938 -1.583 1.00 54.43 C ATOM 1093 C CYS A 73 -5.025 -6.817 -0.838 1.00 11.50 C ATOM 1094 O CYS A 73 -4.732 -7.964 -0.502 1.00 40.11 O ATOM 1095 CB CYS A 73 -3.462 -4.865 -0.633 1.00 53.35 C ATOM 1096 SG CYS A 73 -2.049 -3.942 -1.289 1.00 35.00 S ATOM 0 H CYS A 73 -4.651 -4.301 -2.742 1.00 11.23 H new ATOM 0 HA CYS A 73 -3.195 -6.581 -1.918 1.00 54.43 H new ATOM 0 HB2 CYS A 73 -4.262 -4.163 -0.397 1.00 53.35 H new ATOM 0 HB3 CYS A 73 -3.168 -5.340 0.303 1.00 53.35 H new ATOM 0 HG CYS A 73 -2.473 -3.017 -2.098 1.00 35.00 H new ATOM 1102 N SER A 74 -6.214 -6.274 -0.576 1.00 35.30 N ATOM 1103 CA SER A 74 -7.260 -7.010 0.156 1.00 13.35 C ATOM 1104 C SER A 74 -7.665 -8.295 -0.580 1.00 41.13 C ATOM 1105 O SER A 74 -7.990 -9.305 0.044 1.00 61.32 O ATOM 1106 CB SER A 74 -8.496 -6.127 0.369 1.00 24.51 C ATOM 1107 OG SER A 74 -9.086 -5.749 -0.864 1.00 30.13 O ATOM 0 H SER A 74 -6.482 -5.331 -0.856 1.00 35.30 H new ATOM 0 HA SER A 74 -6.844 -7.286 1.125 1.00 13.35 H new ATOM 0 HB2 SER A 74 -9.227 -6.663 0.974 1.00 24.51 H new ATOM 0 HB3 SER A 74 -8.214 -5.234 0.927 1.00 24.51 H new ATOM 0 HG SER A 74 -8.599 -4.986 -1.239 1.00 30.13 H new ATOM 1113 N GLY A 75 -7.643 -8.250 -1.907 1.00 41.12 N ATOM 1114 CA GLY A 75 -7.954 -9.429 -2.701 1.00 52.14 C ATOM 1115 C GLY A 75 -6.791 -10.417 -2.781 1.00 62.31 C ATOM 1116 O GLY A 75 -6.974 -11.625 -2.615 1.00 21.11 O ATOM 0 H GLY A 75 -7.415 -7.417 -2.450 1.00 41.12 H new ATOM 0 HA2 GLY A 75 -8.821 -9.931 -2.272 1.00 52.14 H new ATOM 0 HA3 GLY A 75 -8.231 -9.119 -3.709 1.00 52.14 H new ATOM 1120 N TYR A 76 -5.589 -9.897 -3.030 1.00 74.42 N ATOM 1121 CA TYR A 76 -4.391 -10.731 -3.189 1.00 23.32 C ATOM 1122 C TYR A 76 -4.023 -11.470 -1.891 1.00 62.31 C ATOM 1123 O TYR A 76 -3.606 -12.630 -1.928 1.00 4.15 O ATOM 1124 CB TYR A 76 -3.209 -9.866 -3.649 1.00 52.33 C ATOM 1125 CG TYR A 76 -1.931 -10.647 -3.920 1.00 21.13 C ATOM 1126 CD1 TYR A 76 -1.803 -11.435 -5.059 1.00 52.35 C ATOM 1127 CD2 TYR A 76 -0.856 -10.600 -3.033 1.00 0.53 C ATOM 1128 CE1 TYR A 76 -0.645 -12.148 -5.313 1.00 30.04 C ATOM 1129 CE2 TYR A 76 0.305 -11.310 -3.282 1.00 11.23 C ATOM 1130 CZ TYR A 76 0.405 -12.084 -4.420 1.00 71.20 C ATOM 1131 OH TYR A 76 1.562 -12.793 -4.667 1.00 42.11 O ATOM 0 H TYR A 76 -5.416 -8.897 -3.127 1.00 74.42 H new ATOM 0 HA TYR A 76 -4.615 -11.485 -3.944 1.00 23.32 H new ATOM 0 HB2 TYR A 76 -3.495 -9.333 -4.556 1.00 52.33 H new ATOM 0 HB3 TYR A 76 -3.006 -9.113 -2.887 1.00 52.33 H new ATOM 0 HD1 TYR A 76 -2.624 -11.491 -5.759 1.00 52.35 H new ATOM 0 HD2 TYR A 76 -0.931 -10.000 -2.138 1.00 0.53 H new ATOM 0 HE1 TYR A 76 -0.563 -12.751 -6.205 1.00 30.04 H new ATOM 0 HE2 TYR A 76 1.131 -11.259 -2.588 1.00 11.23 H new ATOM 0 HH TYR A 76 1.692 -12.880 -5.634 1.00 42.11 H new ATOM 1141 N VAL A 77 -4.180 -10.799 -0.746 1.00 44.11 N ATOM 1142 CA VAL A 77 -3.795 -11.383 0.545 1.00 71.23 C ATOM 1143 C VAL A 77 -4.533 -12.708 0.821 1.00 52.33 C ATOM 1144 O VAL A 77 -3.991 -13.598 1.469 1.00 72.22 O ATOM 1145 CB VAL A 77 -4.016 -10.399 1.729 1.00 14.42 C ATOM 1146 CG1 VAL A 77 -5.498 -10.112 1.965 1.00 23.43 C ATOM 1147 CG2 VAL A 77 -3.351 -10.929 3.002 1.00 70.35 C ATOM 0 H VAL A 77 -4.568 -9.858 -0.685 1.00 44.11 H new ATOM 0 HA VAL A 77 -2.727 -11.590 0.471 1.00 71.23 H new ATOM 0 HB VAL A 77 -3.546 -9.453 1.460 1.00 14.42 H new ATOM 0 HG11 VAL A 77 -5.606 -9.421 2.801 1.00 23.43 H new ATOM 0 HG12 VAL A 77 -5.930 -9.668 1.068 1.00 23.43 H new ATOM 0 HG13 VAL A 77 -6.017 -11.043 2.195 1.00 23.43 H new ATOM 0 HG21 VAL A 77 -3.517 -10.226 3.819 1.00 70.35 H new ATOM 0 HG22 VAL A 77 -3.782 -11.896 3.262 1.00 70.35 H new ATOM 0 HG23 VAL A 77 -2.280 -11.042 2.833 1.00 70.35 H new ATOM 1157 N ASP A 78 -5.758 -12.841 0.309 1.00 52.20 N ATOM 1158 CA ASP A 78 -6.531 -14.078 0.464 1.00 61.32 C ATOM 1159 C ASP A 78 -5.883 -15.238 -0.316 1.00 44.30 C ATOM 1160 O ASP A 78 -5.809 -16.369 0.173 1.00 24.22 O ATOM 1161 CB ASP A 78 -7.976 -13.858 -0.006 1.00 45.31 C ATOM 1162 CG ASP A 78 -8.825 -15.117 0.107 1.00 55.31 C ATOM 1163 OD1 ASP A 78 -9.268 -15.445 1.231 1.00 4.35 O ATOM 1164 OD2 ASP A 78 -9.052 -15.788 -0.921 1.00 2.35 O ATOM 0 H ASP A 78 -6.237 -12.109 -0.216 1.00 52.20 H new ATOM 0 HA ASP A 78 -6.538 -14.347 1.520 1.00 61.32 H new ATOM 0 HB2 ASP A 78 -8.430 -13.063 0.586 1.00 45.31 H new ATOM 0 HB3 ASP A 78 -7.970 -13.520 -1.042 1.00 45.31 H new ATOM 1169 N CYS A 79 -5.388 -14.936 -1.518 1.00 14.13 N ATOM 1170 CA CYS A 79 -4.795 -15.950 -2.409 1.00 23.23 C ATOM 1171 C CYS A 79 -3.363 -16.334 -1.995 1.00 34.31 C ATOM 1172 O CYS A 79 -2.705 -17.127 -2.673 1.00 55.51 O ATOM 1173 CB CYS A 79 -4.803 -15.444 -3.858 1.00 63.30 C ATOM 1174 SG CYS A 79 -6.457 -15.103 -4.515 1.00 43.22 S ATOM 0 H CYS A 79 -5.384 -13.992 -1.904 1.00 14.13 H new ATOM 0 HA CYS A 79 -5.407 -16.848 -2.326 1.00 23.23 H new ATOM 0 HB2 CYS A 79 -4.206 -14.534 -3.917 1.00 63.30 H new ATOM 0 HB3 CYS A 79 -4.318 -16.185 -4.493 1.00 63.30 H new ATOM 0 HG CYS A 79 -6.358 -14.680 -5.740 1.00 43.22 H new ATOM 1180 N ILE A 80 -2.885 -15.770 -0.889 1.00 44.03 N ATOM 1181 CA ILE A 80 -1.557 -16.101 -0.358 1.00 24.10 C ATOM 1182 C ILE A 80 -1.559 -17.470 0.360 1.00 62.44 C ATOM 1183 O ILE A 80 -2.259 -17.658 1.357 1.00 53.32 O ATOM 1184 CB ILE A 80 -1.059 -14.993 0.611 1.00 34.31 C ATOM 1185 CG1 ILE A 80 -0.709 -13.715 -0.175 1.00 45.12 C ATOM 1186 CG2 ILE A 80 0.130 -15.474 1.436 1.00 11.05 C ATOM 1187 CD1 ILE A 80 -0.191 -12.579 0.689 1.00 40.42 C ATOM 0 H ILE A 80 -3.396 -15.079 -0.339 1.00 44.03 H new ATOM 0 HA ILE A 80 -0.874 -16.163 -1.205 1.00 24.10 H new ATOM 0 HB ILE A 80 -1.865 -14.759 1.307 1.00 34.31 H new ATOM 0 HG12 ILE A 80 0.042 -13.958 -0.926 1.00 45.12 H new ATOM 0 HG13 ILE A 80 -1.596 -13.375 -0.709 1.00 45.12 H new ATOM 0 HG21 ILE A 80 0.456 -14.677 2.104 1.00 11.05 H new ATOM 0 HG22 ILE A 80 -0.163 -16.343 2.024 1.00 11.05 H new ATOM 0 HG23 ILE A 80 0.949 -15.746 0.770 1.00 11.05 H new ATOM 0 HD11 ILE A 80 0.032 -11.717 0.061 1.00 40.42 H new ATOM 0 HD12 ILE A 80 -0.948 -12.306 1.424 1.00 40.42 H new ATOM 0 HD13 ILE A 80 0.716 -12.897 1.204 1.00 40.42 H new ATOM 1199 N PRO A 81 -0.777 -18.452 -0.142 1.00 62.13 N ATOM 1200 CA PRO A 81 -0.706 -19.803 0.453 1.00 70.43 C ATOM 1201 C PRO A 81 -0.014 -19.832 1.832 1.00 13.43 C ATOM 1202 O PRO A 81 -0.383 -20.624 2.703 1.00 51.00 O ATOM 1203 CB PRO A 81 0.110 -20.613 -0.577 1.00 13.20 C ATOM 1204 CG PRO A 81 0.143 -19.771 -1.813 1.00 34.12 C ATOM 1205 CD PRO A 81 0.074 -18.347 -1.339 1.00 14.43 C ATOM 0 HA PRO A 81 -1.703 -20.201 0.642 1.00 70.43 H new ATOM 0 HB2 PRO A 81 1.117 -20.812 -0.211 1.00 13.20 H new ATOM 0 HB3 PRO A 81 -0.354 -21.579 -0.773 1.00 13.20 H new ATOM 0 HG2 PRO A 81 1.054 -19.950 -2.384 1.00 34.12 H new ATOM 0 HG3 PRO A 81 -0.695 -20.006 -2.469 1.00 34.12 H new ATOM 0 HD2 PRO A 81 1.061 -17.950 -1.102 1.00 14.43 H new ATOM 0 HD3 PRO A 81 -0.362 -17.689 -2.091 1.00 14.43 H new ATOM 1213 N GLN A 82 0.993 -18.977 2.020 1.00 41.33 N ATOM 1214 CA GLN A 82 1.745 -18.920 3.285 1.00 43.54 C ATOM 1215 C GLN A 82 1.087 -17.955 4.286 1.00 62.30 C ATOM 1216 O GLN A 82 1.035 -16.746 4.053 1.00 63.14 O ATOM 1217 CB GLN A 82 3.201 -18.481 3.029 1.00 74.45 C ATOM 1218 CG GLN A 82 4.107 -19.558 2.427 1.00 41.23 C ATOM 1219 CD GLN A 82 3.564 -20.173 1.145 1.00 21.22 C ATOM 1220 OE1 GLN A 82 3.786 -19.663 0.051 1.00 10.34 O ATOM 1221 NE2 GLN A 82 2.863 -21.282 1.268 1.00 41.04 N ATOM 0 H GLN A 82 1.310 -18.312 1.315 1.00 41.33 H new ATOM 0 HA GLN A 82 1.738 -19.922 3.714 1.00 43.54 H new ATOM 0 HB2 GLN A 82 3.192 -17.620 2.361 1.00 74.45 H new ATOM 0 HB3 GLN A 82 3.635 -18.148 3.972 1.00 74.45 H new ATOM 0 HG2 GLN A 82 5.086 -19.124 2.224 1.00 41.23 H new ATOM 0 HG3 GLN A 82 4.255 -20.348 3.163 1.00 41.23 H new ATOM 0 HE21 GLN A 82 2.696 -21.680 2.192 1.00 41.04 H new ATOM 0 HE22 GLN A 82 2.487 -21.742 0.439 1.00 41.04 H new ATOM 1230 N THR A 83 0.605 -18.488 5.410 1.00 12.32 N ATOM 1231 CA THR A 83 -0.037 -17.662 6.446 1.00 43.22 C ATOM 1232 C THR A 83 0.916 -16.580 6.976 1.00 72.42 C ATOM 1233 O THR A 83 0.484 -15.481 7.332 1.00 0.51 O ATOM 1234 CB THR A 83 -0.535 -18.517 7.638 1.00 24.51 C ATOM 1235 OG1 THR A 83 -1.396 -19.566 7.170 1.00 52.43 O ATOM 1236 CG2 THR A 83 -1.296 -17.661 8.647 1.00 2.51 C ATOM 0 H THR A 83 0.644 -19.483 5.630 1.00 12.32 H new ATOM 0 HA THR A 83 -0.893 -17.186 5.968 1.00 43.22 H new ATOM 0 HB THR A 83 0.339 -18.947 8.127 1.00 24.51 H new ATOM 0 HG1 THR A 83 -1.703 -20.101 7.931 1.00 52.43 H new ATOM 0 HG21 THR A 83 -1.634 -18.287 9.473 1.00 2.51 H new ATOM 0 HG22 THR A 83 -0.640 -16.879 9.029 1.00 2.51 H new ATOM 0 HG23 THR A 83 -2.158 -17.205 8.160 1.00 2.51 H new ATOM 1244 N ARG A 84 2.214 -16.894 7.019 1.00 40.11 N ATOM 1245 CA ARG A 84 3.234 -15.921 7.429 1.00 34.51 C ATOM 1246 C ARG A 84 3.166 -14.648 6.570 1.00 53.14 C ATOM 1247 O ARG A 84 2.983 -13.542 7.088 1.00 44.33 O ATOM 1248 CB ARG A 84 4.636 -16.544 7.339 1.00 23.31 C ATOM 1249 CG ARG A 84 4.859 -17.698 8.310 1.00 33.24 C ATOM 1250 CD ARG A 84 4.834 -17.231 9.763 1.00 12.13 C ATOM 1251 NE ARG A 84 4.842 -18.358 10.693 1.00 72.21 N ATOM 1252 CZ ARG A 84 5.559 -18.416 11.780 1.00 20.52 C ATOM 1253 NH1 ARG A 84 6.394 -17.472 12.081 1.00 52.42 N ATOM 1254 NH2 ARG A 84 5.466 -19.442 12.561 1.00 42.22 N ATOM 0 H ARG A 84 2.584 -17.813 6.776 1.00 40.11 H new ATOM 0 HA ARG A 84 3.034 -15.644 8.464 1.00 34.51 H new ATOM 0 HB2 ARG A 84 4.801 -16.900 6.322 1.00 23.31 H new ATOM 0 HB3 ARG A 84 5.380 -15.771 7.531 1.00 23.31 H new ATOM 0 HG2 ARG A 84 4.089 -18.454 8.158 1.00 33.24 H new ATOM 0 HG3 ARG A 84 5.817 -18.172 8.097 1.00 33.24 H new ATOM 0 HD2 ARG A 84 5.697 -16.594 9.955 1.00 12.13 H new ATOM 0 HD3 ARG A 84 3.945 -16.624 9.935 1.00 12.13 H new ATOM 0 HE ARG A 84 4.244 -19.156 10.476 1.00 72.21 H new ATOM 0 HH11 ARG A 84 6.498 -16.667 11.463 1.00 52.42 H new ATOM 0 HH12 ARG A 84 6.947 -17.534 12.936 1.00 52.42 H new ATOM 0 HH21 ARG A 84 4.832 -20.206 12.326 1.00 42.22 H new ATOM 0 HH22 ARG A 84 6.027 -19.488 13.412 1.00 42.22 H new ATOM 1268 N ASN A 85 3.304 -14.816 5.256 1.00 52.42 N ATOM 1269 CA ASN A 85 3.194 -13.696 4.316 1.00 74.23 C ATOM 1270 C ASN A 85 1.797 -13.070 4.375 1.00 11.30 C ATOM 1271 O ASN A 85 1.654 -11.856 4.340 1.00 15.30 O ATOM 1272 CB ASN A 85 3.494 -14.153 2.883 1.00 4.53 C ATOM 1273 CG ASN A 85 4.863 -14.792 2.738 1.00 13.51 C ATOM 1274 OD1 ASN A 85 5.350 -15.468 3.637 1.00 11.11 O ATOM 1275 ND2 ASN A 85 5.503 -14.571 1.607 1.00 22.54 N ATOM 0 H ASN A 85 3.492 -15.717 4.816 1.00 52.42 H new ATOM 0 HA ASN A 85 3.930 -12.947 4.608 1.00 74.23 H new ATOM 0 HB2 ASN A 85 2.732 -14.865 2.568 1.00 4.53 H new ATOM 0 HB3 ASN A 85 3.426 -13.296 2.213 1.00 4.53 H new ATOM 0 HD21 ASN A 85 6.431 -14.967 1.461 1.00 22.54 H new ATOM 0 HD22 ASN A 85 5.070 -14.004 0.878 1.00 22.54 H new ATOM 1282 N LYS A 86 0.774 -13.912 4.485 1.00 63.52 N ATOM 1283 CA LYS A 86 -0.620 -13.447 4.521 1.00 71.44 C ATOM 1284 C LYS A 86 -0.865 -12.446 5.666 1.00 3.43 C ATOM 1285 O LYS A 86 -1.366 -11.342 5.442 1.00 12.33 O ATOM 1286 CB LYS A 86 -1.559 -14.654 4.659 1.00 10.31 C ATOM 1287 CG LYS A 86 -3.041 -14.294 4.758 1.00 41.31 C ATOM 1288 CD LYS A 86 -3.938 -15.521 4.591 1.00 35.44 C ATOM 1289 CE LYS A 86 -3.939 -16.028 3.154 1.00 3.12 C ATOM 1290 NZ LYS A 86 -4.923 -17.120 2.933 1.00 41.53 N ATOM 0 H LYS A 86 0.879 -14.924 4.551 1.00 63.52 H new ATOM 0 HA LYS A 86 -0.825 -12.924 3.587 1.00 71.44 H new ATOM 0 HB2 LYS A 86 -1.414 -15.311 3.802 1.00 10.31 H new ATOM 0 HB3 LYS A 86 -1.275 -15.220 5.546 1.00 10.31 H new ATOM 0 HG2 LYS A 86 -3.238 -13.829 5.724 1.00 41.31 H new ATOM 0 HG3 LYS A 86 -3.288 -13.557 3.993 1.00 41.31 H new ATOM 0 HD2 LYS A 86 -3.597 -16.314 5.256 1.00 35.44 H new ATOM 0 HD3 LYS A 86 -4.956 -15.271 4.889 1.00 35.44 H new ATOM 0 HE2 LYS A 86 -4.163 -15.200 2.481 1.00 3.12 H new ATOM 0 HE3 LYS A 86 -2.942 -16.386 2.898 1.00 3.12 H new ATOM 0 HZ1 LYS A 86 -5.336 -17.028 1.983 1.00 41.53 H new ATOM 0 HZ2 LYS A 86 -4.445 -18.040 3.015 1.00 41.53 H new ATOM 0 HZ3 LYS A 86 -5.678 -17.057 3.646 1.00 41.53 H new ATOM 1304 N PHE A 87 -0.498 -12.831 6.885 1.00 70.42 N ATOM 1305 CA PHE A 87 -0.680 -11.968 8.056 1.00 61.04 C ATOM 1306 C PHE A 87 0.198 -10.710 7.960 1.00 41.13 C ATOM 1307 O PHE A 87 -0.279 -9.588 8.163 1.00 41.10 O ATOM 1308 CB PHE A 87 -0.362 -12.750 9.339 1.00 5.21 C ATOM 1309 CG PHE A 87 -0.748 -12.030 10.610 1.00 42.20 C ATOM 1310 CD1 PHE A 87 -2.014 -12.196 11.159 1.00 1.05 C ATOM 1311 CD2 PHE A 87 0.152 -11.194 11.258 1.00 51.43 C ATOM 1312 CE1 PHE A 87 -2.371 -11.540 12.323 1.00 55.22 C ATOM 1313 CE2 PHE A 87 -0.204 -10.538 12.422 1.00 3.31 C ATOM 1314 CZ PHE A 87 -1.465 -10.712 12.956 1.00 14.33 C ATOM 0 H PHE A 87 -0.072 -13.735 7.091 1.00 70.42 H new ATOM 0 HA PHE A 87 -1.721 -11.646 8.086 1.00 61.04 H new ATOM 0 HB2 PHE A 87 -0.879 -13.709 9.305 1.00 5.21 H new ATOM 0 HB3 PHE A 87 0.706 -12.965 9.366 1.00 5.21 H new ATOM 0 HD1 PHE A 87 -2.727 -12.844 10.671 1.00 1.05 H new ATOM 0 HD2 PHE A 87 1.141 -11.055 10.848 1.00 51.43 H new ATOM 0 HE1 PHE A 87 -3.359 -11.675 12.737 1.00 55.22 H new ATOM 0 HE2 PHE A 87 0.505 -9.889 12.914 1.00 3.31 H new ATOM 0 HZ PHE A 87 -1.742 -10.202 13.867 1.00 14.33 H new ATOM 1324 N ALA A 88 1.478 -10.905 7.629 1.00 5.30 N ATOM 1325 CA ALA A 88 2.430 -9.794 7.497 1.00 23.20 C ATOM 1326 C ALA A 88 2.008 -8.810 6.394 1.00 31.13 C ATOM 1327 O ALA A 88 2.224 -7.600 6.501 1.00 64.31 O ATOM 1328 CB ALA A 88 3.827 -10.337 7.213 1.00 12.44 C ATOM 0 H ALA A 88 1.881 -11.824 7.447 1.00 5.30 H new ATOM 0 HA ALA A 88 2.438 -9.247 8.440 1.00 23.20 H new ATOM 0 HB1 ALA A 88 4.527 -9.507 7.116 1.00 12.44 H new ATOM 0 HB2 ALA A 88 4.140 -10.982 8.034 1.00 12.44 H new ATOM 0 HB3 ALA A 88 3.813 -10.910 6.286 1.00 12.44 H new ATOM 1334 N PHE A 89 1.401 -9.343 5.341 1.00 73.13 N ATOM 1335 CA PHE A 89 0.921 -8.535 4.219 1.00 31.14 C ATOM 1336 C PHE A 89 -0.270 -7.658 4.637 1.00 22.25 C ATOM 1337 O PHE A 89 -0.246 -6.438 4.465 1.00 2.30 O ATOM 1338 CB PHE A 89 0.521 -9.453 3.053 1.00 75.22 C ATOM 1339 CG PHE A 89 0.110 -8.730 1.796 1.00 11.51 C ATOM 1340 CD1 PHE A 89 -1.209 -8.348 1.596 1.00 1.54 C ATOM 1341 CD2 PHE A 89 1.039 -8.449 0.805 1.00 45.52 C ATOM 1342 CE1 PHE A 89 -1.590 -7.702 0.440 1.00 24.11 C ATOM 1343 CE2 PHE A 89 0.660 -7.799 -0.354 1.00 22.21 C ATOM 1344 CZ PHE A 89 -0.657 -7.427 -0.537 1.00 14.40 C ATOM 0 H PHE A 89 1.227 -10.343 5.237 1.00 73.13 H new ATOM 0 HA PHE A 89 1.728 -7.875 3.900 1.00 31.14 H new ATOM 0 HB2 PHE A 89 1.360 -10.109 2.821 1.00 75.22 H new ATOM 0 HB3 PHE A 89 -0.303 -10.090 3.376 1.00 75.22 H new ATOM 0 HD1 PHE A 89 -1.946 -8.560 2.356 1.00 1.54 H new ATOM 0 HD2 PHE A 89 2.070 -8.741 0.941 1.00 45.52 H new ATOM 0 HE1 PHE A 89 -2.620 -7.411 0.299 1.00 24.11 H new ATOM 0 HE2 PHE A 89 1.394 -7.582 -1.116 1.00 22.21 H new ATOM 0 HZ PHE A 89 -0.956 -6.922 -1.444 1.00 14.40 H new ATOM 1354 N ARG A 90 -1.306 -8.286 5.198 1.00 75.23 N ATOM 1355 CA ARG A 90 -2.509 -7.554 5.617 1.00 74.20 C ATOM 1356 C ARG A 90 -2.188 -6.503 6.698 1.00 65.31 C ATOM 1357 O ARG A 90 -2.757 -5.410 6.688 1.00 52.40 O ATOM 1358 CB ARG A 90 -3.606 -8.514 6.125 1.00 71.21 C ATOM 1359 CG ARG A 90 -4.878 -8.557 5.264 1.00 23.21 C ATOM 1360 CD ARG A 90 -5.386 -7.163 4.883 1.00 34.01 C ATOM 1361 NE ARG A 90 -5.384 -6.248 6.018 1.00 41.14 N ATOM 1362 CZ ARG A 90 -5.832 -5.016 5.983 1.00 64.13 C ATOM 1363 NH1 ARG A 90 -6.493 -4.573 4.963 1.00 13.14 N ATOM 1364 NH2 ARG A 90 -5.652 -4.230 6.991 1.00 2.45 N ATOM 0 H ARG A 90 -1.339 -9.290 5.373 1.00 75.23 H new ATOM 0 HA ARG A 90 -2.884 -7.035 4.735 1.00 74.20 H new ATOM 0 HB2 ARG A 90 -3.190 -9.520 6.183 1.00 71.21 H new ATOM 0 HB3 ARG A 90 -3.881 -8.224 7.139 1.00 71.21 H new ATOM 0 HG2 ARG A 90 -4.677 -9.126 4.356 1.00 23.21 H new ATOM 0 HG3 ARG A 90 -5.660 -9.088 5.806 1.00 23.21 H new ATOM 0 HD2 ARG A 90 -4.761 -6.755 4.088 1.00 34.01 H new ATOM 0 HD3 ARG A 90 -6.397 -7.243 4.484 1.00 34.01 H new ATOM 0 HE ARG A 90 -5.007 -6.590 6.902 1.00 41.14 H new ATOM 0 HH11 ARG A 90 -6.674 -5.185 4.167 1.00 13.14 H new ATOM 0 HH12 ARG A 90 -6.833 -3.612 4.954 1.00 13.14 H new ATOM 0 HH21 ARG A 90 -5.160 -4.566 7.819 1.00 2.45 H new ATOM 0 HH22 ARG A 90 -6.002 -3.272 6.960 1.00 2.45 H new ATOM 1378 N GLU A 91 -1.283 -6.823 7.629 1.00 2.24 N ATOM 1379 CA GLU A 91 -0.914 -5.857 8.672 1.00 54.32 C ATOM 1380 C GLU A 91 -0.190 -4.653 8.055 1.00 5.13 C ATOM 1381 O GLU A 91 -0.369 -3.522 8.496 1.00 33.42 O ATOM 1382 CB GLU A 91 -0.050 -6.495 9.774 1.00 43.25 C ATOM 1383 CG GLU A 91 1.401 -6.747 9.385 1.00 60.02 C ATOM 1384 CD GLU A 91 2.256 -7.175 10.569 1.00 54.20 C ATOM 1385 OE1 GLU A 91 2.715 -6.291 11.331 1.00 75.25 O ATOM 1386 OE2 GLU A 91 2.469 -8.388 10.751 1.00 24.43 O ATOM 0 H GLU A 91 -0.802 -7.721 7.684 1.00 2.24 H new ATOM 0 HA GLU A 91 -1.838 -5.517 9.140 1.00 54.32 H new ATOM 0 HB2 GLU A 91 -0.069 -5.848 10.651 1.00 43.25 H new ATOM 0 HB3 GLU A 91 -0.502 -7.442 10.067 1.00 43.25 H new ATOM 0 HG2 GLU A 91 1.439 -7.519 8.616 1.00 60.02 H new ATOM 0 HG3 GLU A 91 1.819 -5.840 8.948 1.00 60.02 H new ATOM 1393 N ALA A 92 0.616 -4.903 7.019 1.00 25.22 N ATOM 1394 CA ALA A 92 1.261 -3.827 6.259 1.00 71.01 C ATOM 1395 C ALA A 92 0.207 -2.923 5.595 1.00 35.42 C ATOM 1396 O ALA A 92 0.315 -1.694 5.606 1.00 14.24 O ATOM 1397 CB ALA A 92 2.198 -4.414 5.209 1.00 33.44 C ATOM 0 H ALA A 92 0.838 -5.842 6.687 1.00 25.22 H new ATOM 0 HA ALA A 92 1.846 -3.218 6.949 1.00 71.01 H new ATOM 0 HB1 ALA A 92 2.671 -3.606 4.651 1.00 33.44 H new ATOM 0 HB2 ALA A 92 2.965 -5.013 5.700 1.00 33.44 H new ATOM 0 HB3 ALA A 92 1.629 -5.043 4.524 1.00 33.44 H new ATOM 1403 N VAL A 93 -0.821 -3.550 5.025 1.00 50.32 N ATOM 1404 CA VAL A 93 -1.952 -2.818 4.446 1.00 11.43 C ATOM 1405 C VAL A 93 -2.680 -1.990 5.517 1.00 61.22 C ATOM 1406 O VAL A 93 -3.156 -0.887 5.245 1.00 62.10 O ATOM 1407 CB VAL A 93 -2.957 -3.782 3.769 1.00 52.23 C ATOM 1408 CG1 VAL A 93 -4.140 -3.016 3.179 1.00 44.32 C ATOM 1409 CG2 VAL A 93 -2.261 -4.610 2.693 1.00 32.23 C ATOM 0 H VAL A 93 -0.896 -4.565 4.951 1.00 50.32 H new ATOM 0 HA VAL A 93 -1.546 -2.145 3.691 1.00 11.43 H new ATOM 0 HB VAL A 93 -3.343 -4.459 4.531 1.00 52.23 H new ATOM 0 HG11 VAL A 93 -4.830 -3.717 2.710 1.00 44.32 H new ATOM 0 HG12 VAL A 93 -4.656 -2.475 3.973 1.00 44.32 H new ATOM 0 HG13 VAL A 93 -3.779 -2.308 2.433 1.00 44.32 H new ATOM 0 HG21 VAL A 93 -2.982 -5.282 2.228 1.00 32.23 H new ATOM 0 HG22 VAL A 93 -1.843 -3.946 1.936 1.00 32.23 H new ATOM 0 HG23 VAL A 93 -1.460 -5.195 3.145 1.00 32.23 H new ATOM 1419 N SER A 94 -2.747 -2.524 6.740 1.00 4.33 N ATOM 1420 CA SER A 94 -3.357 -1.806 7.871 1.00 72.13 C ATOM 1421 C SER A 94 -2.704 -0.427 8.069 1.00 4.21 C ATOM 1422 O SER A 94 -3.386 0.549 8.380 1.00 53.44 O ATOM 1423 CB SER A 94 -3.260 -2.629 9.167 1.00 54.41 C ATOM 1424 OG SER A 94 -3.956 -3.867 9.055 1.00 33.52 O ATOM 0 H SER A 94 -2.388 -3.449 6.975 1.00 4.33 H new ATOM 0 HA SER A 94 -4.411 -1.658 7.634 1.00 72.13 H new ATOM 0 HB2 SER A 94 -2.212 -2.820 9.400 1.00 54.41 H new ATOM 0 HB3 SER A 94 -3.671 -2.053 9.996 1.00 54.41 H new ATOM 0 HG SER A 94 -3.873 -4.366 9.894 1.00 33.52 H new ATOM 1430 N LYS A 95 -1.381 -0.346 7.881 1.00 74.43 N ATOM 1431 CA LYS A 95 -0.685 0.951 7.896 1.00 50.44 C ATOM 1432 C LYS A 95 -1.169 1.830 6.736 1.00 3.44 C ATOM 1433 O LYS A 95 -1.486 3.004 6.922 1.00 55.24 O ATOM 1434 CB LYS A 95 0.844 0.788 7.780 1.00 21.40 C ATOM 1435 CG LYS A 95 1.551 0.263 9.028 1.00 62.13 C ATOM 1436 CD LYS A 95 1.226 -1.198 9.307 1.00 22.04 C ATOM 1437 CE LYS A 95 2.205 -1.819 10.295 1.00 64.14 C ATOM 1438 NZ LYS A 95 2.285 -1.047 11.562 1.00 25.24 N ATOM 0 H LYS A 95 -0.776 -1.151 7.719 1.00 74.43 H new ATOM 0 HA LYS A 95 -0.916 1.421 8.852 1.00 50.44 H new ATOM 0 HB2 LYS A 95 1.057 0.111 6.953 1.00 21.40 H new ATOM 0 HB3 LYS A 95 1.275 1.755 7.520 1.00 21.40 H new ATOM 0 HG2 LYS A 95 2.628 0.376 8.907 1.00 62.13 H new ATOM 0 HG3 LYS A 95 1.262 0.867 9.888 1.00 62.13 H new ATOM 0 HD2 LYS A 95 0.213 -1.276 9.702 1.00 22.04 H new ATOM 0 HD3 LYS A 95 1.248 -1.759 8.373 1.00 22.04 H new ATOM 0 HE2 LYS A 95 1.899 -2.842 10.513 1.00 64.14 H new ATOM 0 HE3 LYS A 95 3.194 -1.872 9.840 1.00 64.14 H new ATOM 0 HZ1 LYS A 95 2.812 -1.596 12.271 1.00 25.24 H new ATOM 0 HZ2 LYS A 95 2.774 -0.146 11.389 1.00 25.24 H new ATOM 0 HZ3 LYS A 95 1.325 -0.858 11.914 1.00 25.24 H new ATOM 1452 N LEU A 96 -1.222 1.242 5.540 1.00 74.42 N ATOM 1453 CA LEU A 96 -1.619 1.962 4.324 1.00 42.14 C ATOM 1454 C LEU A 96 -3.006 2.621 4.468 1.00 51.25 C ATOM 1455 O LEU A 96 -3.157 3.820 4.233 1.00 53.51 O ATOM 1456 CB LEU A 96 -1.610 0.998 3.125 1.00 50.23 C ATOM 1457 CG LEU A 96 -1.879 1.639 1.752 1.00 11.12 C ATOM 1458 CD1 LEU A 96 -0.796 2.659 1.402 1.00 12.13 C ATOM 1459 CD2 LEU A 96 -1.980 0.567 0.669 1.00 73.30 C ATOM 0 H LEU A 96 -0.993 0.260 5.385 1.00 74.42 H new ATOM 0 HA LEU A 96 -0.897 2.762 4.159 1.00 42.14 H new ATOM 0 HB2 LEU A 96 -0.641 0.500 3.090 1.00 50.23 H new ATOM 0 HB3 LEU A 96 -2.359 0.225 3.298 1.00 50.23 H new ATOM 0 HG LEU A 96 -2.832 2.165 1.806 1.00 11.12 H new ATOM 0 HD11 LEU A 96 -1.010 3.097 0.427 1.00 12.13 H new ATOM 0 HD12 LEU A 96 -0.779 3.445 2.157 1.00 12.13 H new ATOM 0 HD13 LEU A 96 0.174 2.164 1.372 1.00 12.13 H new ATOM 0 HD21 LEU A 96 -2.170 1.040 -0.294 1.00 73.30 H new ATOM 0 HD22 LEU A 96 -1.045 0.009 0.621 1.00 73.30 H new ATOM 0 HD23 LEU A 96 -2.797 -0.114 0.907 1.00 73.30 H new ATOM 1471 N GLU A 97 -4.008 1.843 4.881 1.00 5.22 N ATOM 1472 CA GLU A 97 -5.377 2.358 5.026 1.00 43.53 C ATOM 1473 C GLU A 97 -5.475 3.430 6.130 1.00 25.33 C ATOM 1474 O GLU A 97 -6.067 4.495 5.923 1.00 30.33 O ATOM 1475 CB GLU A 97 -6.364 1.202 5.285 1.00 71.55 C ATOM 1476 CG GLU A 97 -5.989 0.296 6.457 1.00 2.34 C ATOM 1477 CD GLU A 97 -6.936 -0.890 6.620 1.00 65.32 C ATOM 1478 OE1 GLU A 97 -6.730 -1.927 5.947 1.00 31.35 O ATOM 1479 OE2 GLU A 97 -7.885 -0.793 7.427 1.00 35.14 O ATOM 0 H GLU A 97 -3.901 0.857 5.121 1.00 5.22 H new ATOM 0 HA GLU A 97 -5.649 2.842 4.088 1.00 43.53 H new ATOM 0 HB2 GLU A 97 -7.353 1.621 5.469 1.00 71.55 H new ATOM 0 HB3 GLU A 97 -6.437 0.595 4.383 1.00 71.55 H new ATOM 0 HG2 GLU A 97 -4.974 -0.074 6.313 1.00 2.34 H new ATOM 0 HG3 GLU A 97 -5.988 0.882 7.376 1.00 2.34 H new ATOM 1486 N LEU A 98 -4.883 3.160 7.294 1.00 3.33 N ATOM 1487 CA LEU A 98 -4.874 4.132 8.394 1.00 13.21 C ATOM 1488 C LEU A 98 -4.095 5.405 8.013 1.00 14.05 C ATOM 1489 O LEU A 98 -4.426 6.511 8.450 1.00 10.50 O ATOM 1490 CB LEU A 98 -4.275 3.505 9.662 1.00 33.12 C ATOM 1491 CG LEU A 98 -5.081 2.341 10.268 1.00 52.34 C ATOM 1492 CD1 LEU A 98 -4.380 1.787 11.507 1.00 53.22 C ATOM 1493 CD2 LEU A 98 -6.502 2.786 10.612 1.00 72.34 C ATOM 0 H LEU A 98 -4.406 2.283 7.501 1.00 3.33 H new ATOM 0 HA LEU A 98 -5.908 4.415 8.593 1.00 13.21 H new ATOM 0 HB2 LEU A 98 -3.271 3.148 9.431 1.00 33.12 H new ATOM 0 HB3 LEU A 98 -4.170 4.284 10.417 1.00 33.12 H new ATOM 0 HG LEU A 98 -5.142 1.548 9.523 1.00 52.34 H new ATOM 0 HD11 LEU A 98 -4.966 0.966 11.920 1.00 53.22 H new ATOM 0 HD12 LEU A 98 -3.389 1.424 11.233 1.00 53.22 H new ATOM 0 HD13 LEU A 98 -4.284 2.575 12.254 1.00 53.22 H new ATOM 0 HD21 LEU A 98 -7.053 1.948 11.039 1.00 72.34 H new ATOM 0 HD22 LEU A 98 -6.463 3.600 11.336 1.00 72.34 H new ATOM 0 HD23 LEU A 98 -7.005 3.128 9.708 1.00 72.34 H new ATOM 1505 N SER A 99 -3.066 5.241 7.188 1.00 14.04 N ATOM 1506 CA SER A 99 -2.246 6.372 6.738 1.00 72.44 C ATOM 1507 C SER A 99 -3.002 7.231 5.716 1.00 2.12 C ATOM 1508 O SER A 99 -2.871 8.455 5.699 1.00 64.21 O ATOM 1509 CB SER A 99 -0.928 5.872 6.130 1.00 42.12 C ATOM 1510 OG SER A 99 -0.039 6.946 5.870 1.00 65.44 O ATOM 0 H SER A 99 -2.776 4.337 6.814 1.00 14.04 H new ATOM 0 HA SER A 99 -2.024 6.990 7.608 1.00 72.44 H new ATOM 0 HB2 SER A 99 -0.456 5.164 6.811 1.00 42.12 H new ATOM 0 HB3 SER A 99 -1.133 5.335 5.204 1.00 42.12 H new ATOM 0 HG SER A 99 0.721 6.622 5.343 1.00 65.44 H new ATOM 1516 N LEU A 100 -3.799 6.589 4.869 1.00 53.13 N ATOM 1517 CA LEU A 100 -4.609 7.307 3.876 1.00 61.30 C ATOM 1518 C LEU A 100 -5.744 8.115 4.531 1.00 54.25 C ATOM 1519 O LEU A 100 -6.048 9.230 4.096 1.00 43.35 O ATOM 1520 CB LEU A 100 -5.184 6.328 2.840 1.00 62.21 C ATOM 1521 CG LEU A 100 -4.148 5.704 1.886 1.00 14.40 C ATOM 1522 CD1 LEU A 100 -4.796 4.647 0.995 1.00 73.34 C ATOM 1523 CD2 LEU A 100 -3.471 6.783 1.037 1.00 63.52 C ATOM 0 H LEU A 100 -3.906 5.575 4.845 1.00 53.13 H new ATOM 0 HA LEU A 100 -3.950 8.014 3.373 1.00 61.30 H new ATOM 0 HB2 LEU A 100 -5.699 5.525 3.368 1.00 62.21 H new ATOM 0 HB3 LEU A 100 -5.934 6.851 2.246 1.00 62.21 H new ATOM 0 HG LEU A 100 -3.384 5.217 2.492 1.00 14.40 H new ATOM 0 HD11 LEU A 100 -4.044 4.221 0.330 1.00 73.34 H new ATOM 0 HD12 LEU A 100 -5.220 3.858 1.616 1.00 73.34 H new ATOM 0 HD13 LEU A 100 -5.587 5.106 0.402 1.00 73.34 H new ATOM 0 HD21 LEU A 100 -2.744 6.319 0.371 1.00 63.52 H new ATOM 0 HD22 LEU A 100 -4.223 7.305 0.445 1.00 63.52 H new ATOM 0 HD23 LEU A 100 -2.964 7.494 1.689 1.00 63.52 H new ATOM 1535 N GLN A 101 -6.368 7.560 5.574 1.00 45.44 N ATOM 1536 CA GLN A 101 -7.453 8.265 6.273 1.00 41.42 C ATOM 1537 C GLN A 101 -6.924 9.512 7.008 1.00 62.24 C ATOM 1538 O GLN A 101 -7.587 10.549 7.036 1.00 32.11 O ATOM 1539 CB GLN A 101 -8.193 7.337 7.258 1.00 21.23 C ATOM 1540 CG GLN A 101 -7.380 6.944 8.488 1.00 13.54 C ATOM 1541 CD GLN A 101 -8.173 6.136 9.506 1.00 21.32 C ATOM 1542 OE1 GLN A 101 -9.083 5.385 9.164 1.00 23.24 O ATOM 1543 NE2 GLN A 101 -7.836 6.283 10.775 1.00 63.20 N ATOM 0 H GLN A 101 -6.147 6.638 5.951 1.00 45.44 H new ATOM 0 HA GLN A 101 -8.166 8.587 5.514 1.00 41.42 H new ATOM 0 HB2 GLN A 101 -9.108 7.831 7.585 1.00 21.23 H new ATOM 0 HB3 GLN A 101 -8.491 6.431 6.730 1.00 21.23 H new ATOM 0 HG2 GLN A 101 -6.513 6.364 8.171 1.00 13.54 H new ATOM 0 HG3 GLN A 101 -7.001 7.847 8.967 1.00 13.54 H new ATOM 0 HE21 GLN A 101 -7.076 6.913 11.031 1.00 63.20 H new ATOM 0 HE22 GLN A 101 -8.336 5.766 11.499 1.00 63.20 H new ATOM 1552 N GLU A 102 -5.724 9.421 7.594 1.00 12.51 N ATOM 1553 CA GLU A 102 -5.126 10.577 8.278 1.00 42.02 C ATOM 1554 C GLU A 102 -4.543 11.585 7.268 1.00 54.51 C ATOM 1555 O GLU A 102 -4.634 12.796 7.464 1.00 33.42 O ATOM 1556 CB GLU A 102 -4.045 10.132 9.283 1.00 63.45 C ATOM 1557 CG GLU A 102 -2.787 9.542 8.651 1.00 21.11 C ATOM 1558 CD GLU A 102 -1.745 9.118 9.684 1.00 22.14 C ATOM 1559 OE1 GLU A 102 -1.221 9.994 10.406 1.00 32.25 O ATOM 1560 OE2 GLU A 102 -1.460 7.905 9.790 1.00 72.43 O ATOM 0 H GLU A 102 -5.155 8.575 7.610 1.00 12.51 H new ATOM 0 HA GLU A 102 -5.922 11.075 8.832 1.00 42.02 H new ATOM 0 HB2 GLU A 102 -3.760 10.990 9.892 1.00 63.45 H new ATOM 0 HB3 GLU A 102 -4.478 9.392 9.956 1.00 63.45 H new ATOM 0 HG2 GLU A 102 -3.062 8.679 8.044 1.00 21.11 H new ATOM 0 HG3 GLU A 102 -2.346 10.277 7.978 1.00 21.11 H new ATOM 1567 N LEU A 103 -3.964 11.080 6.177 1.00 24.31 N ATOM 1568 CA LEU A 103 -3.359 11.941 5.151 1.00 13.30 C ATOM 1569 C LEU A 103 -4.371 12.935 4.561 1.00 52.42 C ATOM 1570 O LEU A 103 -4.107 14.134 4.489 1.00 75.12 O ATOM 1571 CB LEU A 103 -2.764 11.094 4.019 1.00 53.13 C ATOM 1572 CG LEU A 103 -2.098 11.895 2.882 1.00 3.11 C ATOM 1573 CD1 LEU A 103 -0.889 12.674 3.396 1.00 3.20 C ATOM 1574 CD2 LEU A 103 -1.700 10.974 1.729 1.00 23.25 C ATOM 0 H LEU A 103 -3.900 10.082 5.979 1.00 24.31 H new ATOM 0 HA LEU A 103 -2.569 12.509 5.642 1.00 13.30 H new ATOM 0 HB2 LEU A 103 -2.025 10.415 4.444 1.00 53.13 H new ATOM 0 HB3 LEU A 103 -3.556 10.478 3.593 1.00 53.13 H new ATOM 0 HG LEU A 103 -2.826 12.614 2.507 1.00 3.11 H new ATOM 0 HD11 LEU A 103 -0.438 13.230 2.574 1.00 3.20 H new ATOM 0 HD12 LEU A 103 -1.208 13.369 4.173 1.00 3.20 H new ATOM 0 HD13 LEU A 103 -0.157 11.979 3.809 1.00 3.20 H new ATOM 0 HD21 LEU A 103 -1.232 11.561 0.939 1.00 23.25 H new ATOM 0 HD22 LEU A 103 -0.996 10.224 2.089 1.00 23.25 H new ATOM 0 HD23 LEU A 103 -2.588 10.479 1.336 1.00 23.25 H new ATOM 1586 N GLN A 104 -5.530 12.432 4.146 1.00 44.21 N ATOM 1587 CA GLN A 104 -6.537 13.258 3.461 1.00 45.04 C ATOM 1588 C GLN A 104 -7.075 14.404 4.346 1.00 42.51 C ATOM 1589 O GLN A 104 -7.652 15.366 3.835 1.00 53.40 O ATOM 1590 CB GLN A 104 -7.691 12.372 2.966 1.00 41.13 C ATOM 1591 CG GLN A 104 -8.390 11.587 4.069 1.00 62.11 C ATOM 1592 CD GLN A 104 -9.405 10.597 3.527 1.00 72.11 C ATOM 1593 OE1 GLN A 104 -10.574 10.918 3.345 1.00 62.34 O ATOM 1594 NE2 GLN A 104 -8.962 9.386 3.252 1.00 31.21 N ATOM 0 H GLN A 104 -5.801 11.457 4.269 1.00 44.21 H new ATOM 0 HA GLN A 104 -6.044 13.728 2.610 1.00 45.04 H new ATOM 0 HB2 GLN A 104 -8.425 12.999 2.460 1.00 41.13 H new ATOM 0 HB3 GLN A 104 -7.305 11.672 2.225 1.00 41.13 H new ATOM 0 HG2 GLN A 104 -7.645 11.052 4.658 1.00 62.11 H new ATOM 0 HG3 GLN A 104 -8.890 12.282 4.744 1.00 62.11 H new ATOM 0 HE21 GLN A 104 -7.983 9.152 3.415 1.00 31.21 H new ATOM 0 HE22 GLN A 104 -9.599 8.683 2.876 1.00 31.21 H new ATOM 1603 N VAL A 105 -6.889 14.304 5.664 1.00 52.01 N ATOM 1604 CA VAL A 105 -7.334 15.357 6.594 1.00 30.10 C ATOM 1605 C VAL A 105 -6.153 16.142 7.201 1.00 15.41 C ATOM 1606 O VAL A 105 -6.341 17.214 7.779 1.00 54.12 O ATOM 1607 CB VAL A 105 -8.203 14.773 7.743 1.00 4.34 C ATOM 1608 CG1 VAL A 105 -9.453 14.096 7.185 1.00 4.22 C ATOM 1609 CG2 VAL A 105 -7.394 13.800 8.606 1.00 5.11 C ATOM 0 H VAL A 105 -6.435 13.510 6.115 1.00 52.01 H new ATOM 0 HA VAL A 105 -7.936 16.045 6.000 1.00 30.10 H new ATOM 0 HB VAL A 105 -8.519 15.600 8.379 1.00 4.34 H new ATOM 0 HG11 VAL A 105 -10.047 13.694 8.006 1.00 4.22 H new ATOM 0 HG12 VAL A 105 -10.045 14.825 6.632 1.00 4.22 H new ATOM 0 HG13 VAL A 105 -9.161 13.285 6.518 1.00 4.22 H new ATOM 0 HG21 VAL A 105 -8.027 13.407 9.402 1.00 5.11 H new ATOM 0 HG22 VAL A 105 -7.035 12.977 7.988 1.00 5.11 H new ATOM 0 HG23 VAL A 105 -6.543 14.323 9.044 1.00 5.11 H new ATOM 1619 N SER A 106 -4.938 15.608 7.063 1.00 2.14 N ATOM 1620 CA SER A 106 -3.739 16.226 7.672 1.00 14.52 C ATOM 1621 C SER A 106 -2.795 16.844 6.625 1.00 64.21 C ATOM 1622 O SER A 106 -1.908 17.630 6.968 1.00 51.20 O ATOM 1623 CB SER A 106 -2.973 15.179 8.497 1.00 63.33 C ATOM 1624 OG SER A 106 -1.822 15.736 9.119 1.00 50.04 O ATOM 0 H SER A 106 -4.750 14.753 6.539 1.00 2.14 H new ATOM 0 HA SER A 106 -4.088 17.034 8.315 1.00 14.52 H new ATOM 0 HB2 SER A 106 -3.632 14.763 9.259 1.00 63.33 H new ATOM 0 HB3 SER A 106 -2.673 14.355 7.850 1.00 63.33 H new ATOM 0 HG SER A 106 -1.361 15.042 9.636 1.00 50.04 H new ATOM 1630 N SER A 107 -2.988 16.496 5.352 1.00 74.41 N ATOM 1631 CA SER A 107 -2.100 16.960 4.268 1.00 72.52 C ATOM 1632 C SER A 107 -2.134 18.486 4.096 1.00 21.13 C ATOM 1633 O SER A 107 -1.127 19.165 4.325 1.00 14.41 O ATOM 1634 CB SER A 107 -2.482 16.292 2.940 1.00 15.02 C ATOM 1635 OG SER A 107 -3.815 16.606 2.569 1.00 1.14 O ATOM 0 H SER A 107 -3.750 15.894 5.039 1.00 74.41 H new ATOM 0 HA SER A 107 -1.086 16.677 4.550 1.00 72.52 H new ATOM 0 HB2 SER A 107 -1.798 16.618 2.157 1.00 15.02 H new ATOM 0 HB3 SER A 107 -2.372 15.211 3.029 1.00 15.02 H new ATOM 0 HG SER A 107 -4.429 15.961 2.978 1.00 1.14 H new ATOM 1641 N ALA A 108 -3.286 19.006 3.655 1.00 24.42 N ATOM 1642 CA ALA A 108 -3.508 20.455 3.471 1.00 10.43 C ATOM 1643 C ALA A 108 -2.769 21.034 2.243 1.00 44.23 C ATOM 1644 O ALA A 108 -3.299 21.901 1.540 1.00 62.40 O ATOM 1645 CB ALA A 108 -3.132 21.221 4.738 1.00 33.14 C ATOM 0 H ALA A 108 -4.097 18.436 3.413 1.00 24.42 H new ATOM 0 HA ALA A 108 -4.573 20.583 3.277 1.00 10.43 H new ATOM 0 HB1 ALA A 108 -3.302 22.286 4.583 1.00 33.14 H new ATOM 0 HB2 ALA A 108 -3.745 20.873 5.569 1.00 33.14 H new ATOM 0 HB3 ALA A 108 -2.080 21.051 4.967 1.00 33.14 H new ATOM 1651 N ALA A 109 -1.547 20.577 1.995 1.00 24.21 N ATOM 1652 CA ALA A 109 -0.773 21.019 0.830 1.00 71.05 C ATOM 1653 C ALA A 109 -1.339 20.454 -0.484 1.00 52.13 C ATOM 1654 O ALA A 109 -2.013 19.421 -0.495 1.00 35.51 O ATOM 1655 CB ALA A 109 0.690 20.614 0.993 1.00 10.24 C ATOM 0 H ALA A 109 -1.065 19.898 2.585 1.00 24.21 H new ATOM 0 HA ALA A 109 -0.846 22.105 0.776 1.00 71.05 H new ATOM 0 HB1 ALA A 109 1.258 20.946 0.124 1.00 10.24 H new ATOM 0 HB2 ALA A 109 1.098 21.077 1.892 1.00 10.24 H new ATOM 0 HB3 ALA A 109 0.760 19.530 1.080 1.00 10.24 H new ATOM 1661 N ALA A 110 -1.068 21.146 -1.588 1.00 5.43 N ATOM 1662 CA ALA A 110 -1.500 20.696 -2.912 1.00 53.04 C ATOM 1663 C ALA A 110 -0.624 19.549 -3.432 1.00 64.20 C ATOM 1664 O ALA A 110 -1.099 18.432 -3.640 1.00 3.31 O ATOM 1665 CB ALA A 110 -1.480 21.858 -3.896 1.00 3.41 C ATOM 0 H ALA A 110 -0.549 22.024 -1.593 1.00 5.43 H new ATOM 0 HA ALA A 110 -2.519 20.322 -2.819 1.00 53.04 H new ATOM 0 HB1 ALA A 110 -1.803 21.510 -4.877 1.00 3.41 H new ATOM 0 HB2 ALA A 110 -2.154 22.641 -3.548 1.00 3.41 H new ATOM 0 HB3 ALA A 110 -0.468 22.256 -3.968 1.00 3.41 H new ATOM 1671 N GLY A 111 0.664 19.835 -3.628 1.00 74.31 N ATOM 1672 CA GLY A 111 1.584 18.843 -4.173 1.00 74.25 C ATOM 1673 C GLY A 111 3.047 19.152 -3.871 1.00 12.14 C ATOM 1674 O GLY A 111 3.870 19.274 -4.781 1.00 64.42 O ATOM 0 H GLY A 111 1.089 20.738 -3.419 1.00 74.31 H new ATOM 0 HA2 GLY A 111 1.335 17.863 -3.766 1.00 74.25 H new ATOM 0 HA3 GLY A 111 1.447 18.784 -5.253 1.00 74.25 H new ATOM 1678 N VAL A 112 3.368 19.279 -2.584 1.00 63.41 N ATOM 1679 CA VAL A 112 4.734 19.586 -2.139 1.00 75.14 C ATOM 1680 C VAL A 112 5.451 18.318 -1.633 1.00 40.21 C ATOM 1681 O VAL A 112 4.967 17.651 -0.716 1.00 32.03 O ATOM 1682 CB VAL A 112 4.722 20.653 -1.009 1.00 11.14 C ATOM 1683 CG1 VAL A 112 6.145 21.039 -0.599 1.00 23.03 C ATOM 1684 CG2 VAL A 112 3.922 21.887 -1.436 1.00 4.03 C ATOM 0 H VAL A 112 2.697 19.174 -1.823 1.00 63.41 H new ATOM 0 HA VAL A 112 5.275 19.980 -2.999 1.00 75.14 H new ATOM 0 HB VAL A 112 4.233 20.215 -0.139 1.00 11.14 H new ATOM 0 HG11 VAL A 112 6.105 21.787 0.193 1.00 23.03 H new ATOM 0 HG12 VAL A 112 6.672 20.156 -0.238 1.00 23.03 H new ATOM 0 HG13 VAL A 112 6.673 21.450 -1.460 1.00 23.03 H new ATOM 0 HG21 VAL A 112 3.927 22.621 -0.630 1.00 4.03 H new ATOM 0 HG22 VAL A 112 4.374 22.323 -2.327 1.00 4.03 H new ATOM 0 HG23 VAL A 112 2.895 21.596 -1.656 1.00 4.03 H new ATOM 1694 N PRO A 113 6.620 17.968 -2.213 1.00 24.12 N ATOM 1695 CA PRO A 113 7.369 16.758 -1.823 1.00 22.34 C ATOM 1696 C PRO A 113 7.840 16.803 -0.357 1.00 20.45 C ATOM 1697 O PRO A 113 8.548 17.725 0.054 1.00 64.22 O ATOM 1698 CB PRO A 113 8.571 16.747 -2.786 1.00 11.43 C ATOM 1699 CG PRO A 113 8.707 18.161 -3.245 1.00 31.32 C ATOM 1700 CD PRO A 113 7.309 18.719 -3.279 1.00 75.44 C ATOM 0 HA PRO A 113 6.753 15.861 -1.889 1.00 22.34 H new ATOM 0 HB2 PRO A 113 9.476 16.406 -2.284 1.00 11.43 H new ATOM 0 HB3 PRO A 113 8.399 16.074 -3.626 1.00 11.43 H new ATOM 0 HG2 PRO A 113 9.340 18.733 -2.566 1.00 31.32 H new ATOM 0 HG3 PRO A 113 9.171 18.209 -4.230 1.00 31.32 H new ATOM 0 HD2 PRO A 113 7.299 19.792 -3.087 1.00 75.44 H new ATOM 0 HD3 PRO A 113 6.837 18.565 -4.250 1.00 75.44 H new ATOM 1708 N GLY A 114 7.433 15.806 0.431 1.00 25.30 N ATOM 1709 CA GLY A 114 7.810 15.755 1.841 1.00 53.45 C ATOM 1710 C GLY A 114 7.063 16.763 2.712 1.00 2.45 C ATOM 1711 O GLY A 114 7.506 17.085 3.815 1.00 5.40 O ATOM 0 H GLY A 114 6.848 15.031 0.119 1.00 25.30 H new ATOM 0 HA2 GLY A 114 7.624 14.751 2.222 1.00 53.45 H new ATOM 0 HA3 GLY A 114 8.881 15.936 1.929 1.00 53.45 H new ATOM 1715 N THR A 115 5.923 17.258 2.225 1.00 54.13 N ATOM 1716 CA THR A 115 5.111 18.237 2.971 1.00 42.32 C ATOM 1717 C THR A 115 4.648 17.709 4.337 1.00 44.42 C ATOM 1718 O THR A 115 4.573 18.465 5.304 1.00 33.11 O ATOM 1719 CB THR A 115 3.859 18.674 2.170 1.00 51.32 C ATOM 1720 OG1 THR A 115 3.025 19.535 2.964 1.00 40.30 O ATOM 1721 CG2 THR A 115 3.042 17.470 1.703 1.00 44.34 C ATOM 0 H THR A 115 5.536 17.000 1.317 1.00 54.13 H new ATOM 0 HA THR A 115 5.769 19.091 3.128 1.00 42.32 H new ATOM 0 HB THR A 115 4.211 19.216 1.292 1.00 51.32 H new ATOM 0 HG1 THR A 115 3.064 20.447 2.608 1.00 40.30 H new ATOM 0 HG21 THR A 115 2.172 17.815 1.145 1.00 44.34 H new ATOM 0 HG22 THR A 115 3.658 16.839 1.062 1.00 44.34 H new ATOM 0 HG23 THR A 115 2.713 16.896 2.569 1.00 44.34 H new ATOM 1729 N ASN A 116 4.325 16.420 4.407 1.00 61.41 N ATOM 1730 CA ASN A 116 3.813 15.814 5.643 1.00 61.13 C ATOM 1731 C ASN A 116 4.496 14.470 5.940 1.00 64.21 C ATOM 1732 O ASN A 116 4.795 13.700 5.023 1.00 75.22 O ATOM 1733 CB ASN A 116 2.292 15.623 5.544 1.00 44.15 C ATOM 1734 CG ASN A 116 1.522 16.917 5.757 1.00 3.03 C ATOM 1735 OD1 ASN A 116 1.140 17.244 6.874 1.00 14.44 O ATOM 1736 ND2 ASN A 116 1.296 17.665 4.696 1.00 32.11 N ATOM 0 H ASN A 116 4.407 15.771 3.624 1.00 61.41 H new ATOM 0 HA ASN A 116 4.041 16.491 6.466 1.00 61.13 H new ATOM 0 HB2 ASN A 116 2.044 15.215 4.564 1.00 44.15 H new ATOM 0 HB3 ASN A 116 1.973 14.889 6.285 1.00 44.15 H new ATOM 0 HD21 ASN A 116 0.789 18.545 4.791 1.00 32.11 H new ATOM 0 HD22 ASN A 116 1.628 17.364 3.780 1.00 32.11 H new ATOM 1743 N PRO A 117 4.729 14.156 7.234 1.00 64.52 N ATOM 1744 CA PRO A 117 5.369 12.891 7.644 1.00 51.20 C ATOM 1745 C PRO A 117 4.581 11.655 7.179 1.00 11.54 C ATOM 1746 O PRO A 117 5.162 10.607 6.889 1.00 31.44 O ATOM 1747 CB PRO A 117 5.396 12.977 9.182 1.00 63.02 C ATOM 1748 CG PRO A 117 4.369 14.007 9.529 1.00 20.14 C ATOM 1749 CD PRO A 117 4.390 14.998 8.399 1.00 23.33 C ATOM 0 HA PRO A 117 6.357 12.775 7.199 1.00 51.20 H new ATOM 0 HB2 PRO A 117 5.159 12.015 9.636 1.00 63.02 H new ATOM 0 HB3 PRO A 117 6.383 13.266 9.544 1.00 63.02 H new ATOM 0 HG2 PRO A 117 3.383 13.556 9.636 1.00 20.14 H new ATOM 0 HG3 PRO A 117 4.603 14.490 10.478 1.00 20.14 H new ATOM 0 HD2 PRO A 117 3.426 15.491 8.275 1.00 23.33 H new ATOM 0 HD3 PRO A 117 5.130 15.781 8.561 1.00 23.33 H new ATOM 1757 N VAL A 118 3.258 11.804 7.091 1.00 32.53 N ATOM 1758 CA VAL A 118 2.367 10.719 6.652 1.00 14.01 C ATOM 1759 C VAL A 118 2.798 10.131 5.295 1.00 71.41 C ATOM 1760 O VAL A 118 2.584 8.949 5.021 1.00 21.24 O ATOM 1761 CB VAL A 118 0.901 11.212 6.554 1.00 42.33 C ATOM 1762 CG1 VAL A 118 -0.042 10.066 6.190 1.00 75.14 C ATOM 1763 CG2 VAL A 118 0.469 11.872 7.862 1.00 72.13 C ATOM 0 H VAL A 118 2.773 12.672 7.319 1.00 32.53 H new ATOM 0 HA VAL A 118 2.437 9.934 7.404 1.00 14.01 H new ATOM 0 HB VAL A 118 0.847 11.955 5.758 1.00 42.33 H new ATOM 0 HG11 VAL A 118 -1.064 10.441 6.128 1.00 75.14 H new ATOM 0 HG12 VAL A 118 0.250 9.647 5.227 1.00 75.14 H new ATOM 0 HG13 VAL A 118 0.014 9.291 6.955 1.00 75.14 H new ATOM 0 HG21 VAL A 118 -0.563 12.212 7.775 1.00 72.13 H new ATOM 0 HG22 VAL A 118 0.546 11.151 8.676 1.00 72.13 H new ATOM 0 HG23 VAL A 118 1.115 12.725 8.070 1.00 72.13 H new ATOM 1773 N LEU A 119 3.418 10.956 4.452 1.00 23.24 N ATOM 1774 CA LEU A 119 3.936 10.489 3.160 1.00 24.14 C ATOM 1775 C LEU A 119 5.019 9.415 3.363 1.00 25.25 C ATOM 1776 O LEU A 119 5.101 8.447 2.606 1.00 71.21 O ATOM 1777 CB LEU A 119 4.503 11.667 2.355 1.00 72.44 C ATOM 1778 CG LEU A 119 3.504 12.802 2.070 1.00 2.21 C ATOM 1779 CD1 LEU A 119 4.176 13.934 1.298 1.00 34.44 C ATOM 1780 CD2 LEU A 119 2.288 12.275 1.309 1.00 61.11 C ATOM 0 H LEU A 119 3.575 11.947 4.636 1.00 23.24 H new ATOM 0 HA LEU A 119 3.111 10.046 2.602 1.00 24.14 H new ATOM 0 HB2 LEU A 119 5.354 12.080 2.896 1.00 72.44 H new ATOM 0 HB3 LEU A 119 4.881 11.289 1.405 1.00 72.44 H new ATOM 0 HG LEU A 119 3.161 13.200 3.025 1.00 2.21 H new ATOM 0 HD11 LEU A 119 3.451 14.725 1.108 1.00 34.44 H new ATOM 0 HD12 LEU A 119 5.003 14.333 1.885 1.00 34.44 H new ATOM 0 HD13 LEU A 119 4.554 13.553 0.349 1.00 34.44 H new ATOM 0 HD21 LEU A 119 1.595 13.094 1.118 1.00 61.11 H new ATOM 0 HD22 LEU A 119 2.611 11.844 0.361 1.00 61.11 H new ATOM 0 HD23 LEU A 119 1.790 11.510 1.904 1.00 61.11 H new ATOM 1792 N ASN A 120 5.835 9.591 4.404 1.00 45.34 N ATOM 1793 CA ASN A 120 6.857 8.604 4.766 1.00 34.12 C ATOM 1794 C ASN A 120 6.206 7.327 5.317 1.00 33.31 C ATOM 1795 O ASN A 120 6.713 6.224 5.115 1.00 1.53 O ATOM 1796 CB ASN A 120 7.833 9.189 5.795 1.00 24.42 C ATOM 1797 CG ASN A 120 8.558 10.415 5.267 1.00 52.14 C ATOM 1798 OD1 ASN A 120 9.608 10.310 4.643 1.00 71.44 O ATOM 1799 ND2 ASN A 120 8.015 11.589 5.522 1.00 1.32 N ATOM 0 H ASN A 120 5.809 10.409 5.013 1.00 45.34 H new ATOM 0 HA ASN A 120 7.415 8.347 3.865 1.00 34.12 H new ATOM 0 HB2 ASN A 120 7.288 9.454 6.701 1.00 24.42 H new ATOM 0 HB3 ASN A 120 8.563 8.429 6.073 1.00 24.42 H new ATOM 0 HD21 ASN A 120 8.470 12.442 5.197 1.00 1.32 H new ATOM 0 HD22 ASN A 120 7.140 11.644 6.044 1.00 1.32 H new ATOM 1806 N ASN A 121 5.080 7.488 6.017 1.00 22.40 N ATOM 1807 CA ASN A 121 4.288 6.339 6.478 1.00 13.03 C ATOM 1808 C ASN A 121 3.828 5.497 5.278 1.00 64.13 C ATOM 1809 O ASN A 121 4.021 4.281 5.249 1.00 31.22 O ATOM 1810 CB ASN A 121 3.062 6.801 7.285 1.00 5.24 C ATOM 1811 CG ASN A 121 3.430 7.655 8.484 1.00 44.31 C ATOM 1812 OD1 ASN A 121 4.416 8.382 8.470 1.00 12.04 O ATOM 1813 ND2 ASN A 121 2.644 7.569 9.535 1.00 45.53 N ATOM 0 H ASN A 121 4.696 8.396 6.277 1.00 22.40 H new ATOM 0 HA ASN A 121 4.921 5.732 7.126 1.00 13.03 H new ATOM 0 HB2 ASN A 121 2.397 7.367 6.633 1.00 5.24 H new ATOM 0 HB3 ASN A 121 2.507 5.927 7.625 1.00 5.24 H new ATOM 0 HD21 ASN A 121 2.848 8.117 10.371 1.00 45.53 H new ATOM 0 HD22 ASN A 121 1.831 6.954 9.515 1.00 45.53 H new ATOM 1820 N LEU A 122 3.230 6.162 4.286 1.00 12.24 N ATOM 1821 CA LEU A 122 2.826 5.502 3.035 1.00 4.33 C ATOM 1822 C LEU A 122 4.018 4.806 2.366 1.00 1.31 C ATOM 1823 O LEU A 122 3.903 3.676 1.900 1.00 41.34 O ATOM 1824 CB LEU A 122 2.208 6.517 2.058 1.00 74.42 C ATOM 1825 CG LEU A 122 0.855 7.108 2.482 1.00 70.24 C ATOM 1826 CD1 LEU A 122 0.348 8.096 1.433 1.00 2.44 C ATOM 1827 CD2 LEU A 122 -0.171 6.001 2.711 1.00 53.24 C ATOM 0 H LEU A 122 3.013 7.158 4.322 1.00 12.24 H new ATOM 0 HA LEU A 122 2.079 4.750 3.289 1.00 4.33 H new ATOM 0 HB2 LEU A 122 2.914 7.336 1.918 1.00 74.42 H new ATOM 0 HB3 LEU A 122 2.085 6.033 1.089 1.00 74.42 H new ATOM 0 HG LEU A 122 0.997 7.643 3.421 1.00 70.24 H new ATOM 0 HD11 LEU A 122 -0.611 8.504 1.751 1.00 2.44 H new ATOM 0 HD12 LEU A 122 1.067 8.907 1.319 1.00 2.44 H new ATOM 0 HD13 LEU A 122 0.226 7.583 0.479 1.00 2.44 H new ATOM 0 HD21 LEU A 122 -1.122 6.442 3.010 1.00 53.24 H new ATOM 0 HD22 LEU A 122 -0.308 5.435 1.789 1.00 53.24 H new ATOM 0 HD23 LEU A 122 0.183 5.334 3.497 1.00 53.24 H new ATOM 1839 N LEU A 123 5.158 5.493 2.317 1.00 74.32 N ATOM 1840 CA LEU A 123 6.386 4.912 1.761 1.00 71.10 C ATOM 1841 C LEU A 123 6.742 3.600 2.475 1.00 65.44 C ATOM 1842 O LEU A 123 6.966 2.572 1.833 1.00 2.14 O ATOM 1843 CB LEU A 123 7.548 5.910 1.870 1.00 63.32 C ATOM 1844 CG LEU A 123 8.873 5.463 1.224 1.00 53.12 C ATOM 1845 CD1 LEU A 123 8.693 5.224 -0.276 1.00 25.42 C ATOM 1846 CD2 LEU A 123 9.973 6.491 1.482 1.00 42.10 C ATOM 0 H LEU A 123 5.260 6.450 2.654 1.00 74.32 H new ATOM 0 HA LEU A 123 6.211 4.692 0.708 1.00 71.10 H new ATOM 0 HB2 LEU A 123 7.240 6.850 1.412 1.00 63.32 H new ATOM 0 HB3 LEU A 123 7.730 6.114 2.925 1.00 63.32 H new ATOM 0 HG LEU A 123 9.174 4.521 1.682 1.00 53.12 H new ATOM 0 HD11 LEU A 123 9.642 4.909 -0.711 1.00 25.42 H new ATOM 0 HD12 LEU A 123 7.946 4.446 -0.433 1.00 25.42 H new ATOM 0 HD13 LEU A 123 8.363 6.146 -0.754 1.00 25.42 H new ATOM 0 HD21 LEU A 123 10.900 6.156 1.017 1.00 42.10 H new ATOM 0 HD22 LEU A 123 9.681 7.451 1.057 1.00 42.10 H new ATOM 0 HD23 LEU A 123 10.124 6.600 2.556 1.00 42.10 H new ATOM 1858 N SER A 124 6.777 3.643 3.806 1.00 54.11 N ATOM 1859 CA SER A 124 7.024 2.445 4.623 1.00 13.33 C ATOM 1860 C SER A 124 6.013 1.335 4.302 1.00 44.20 C ATOM 1861 O SER A 124 6.372 0.161 4.204 1.00 45.00 O ATOM 1862 CB SER A 124 6.948 2.800 6.115 1.00 13.03 C ATOM 1863 OG SER A 124 7.155 1.658 6.942 1.00 51.42 O ATOM 0 H SER A 124 6.637 4.496 4.348 1.00 54.11 H new ATOM 0 HA SER A 124 8.023 2.077 4.387 1.00 13.33 H new ATOM 0 HB2 SER A 124 7.697 3.557 6.347 1.00 13.03 H new ATOM 0 HB3 SER A 124 5.974 3.237 6.336 1.00 13.03 H new ATOM 0 HG SER A 124 7.101 1.922 7.884 1.00 51.42 H new ATOM 1869 N CYS A 125 4.748 1.721 4.129 1.00 4.44 N ATOM 1870 CA CYS A 125 3.683 0.770 3.789 1.00 23.21 C ATOM 1871 C CYS A 125 3.945 0.099 2.433 1.00 2.14 C ATOM 1872 O CYS A 125 3.905 -1.124 2.320 1.00 64.04 O ATOM 1873 CB CYS A 125 2.323 1.482 3.751 1.00 64.03 C ATOM 1874 SG CYS A 125 1.895 2.358 5.275 1.00 53.14 S ATOM 0 H CYS A 125 4.433 2.687 4.218 1.00 4.44 H new ATOM 0 HA CYS A 125 3.671 0.000 4.561 1.00 23.21 H new ATOM 0 HB2 CYS A 125 2.322 2.193 2.925 1.00 64.03 H new ATOM 0 HB3 CYS A 125 1.547 0.746 3.539 1.00 64.03 H new ATOM 0 HG CYS A 125 2.741 3.325 5.472 1.00 53.14 H new ATOM 1880 N VAL A 126 4.223 0.908 1.414 1.00 44.14 N ATOM 1881 CA VAL A 126 4.479 0.399 0.060 1.00 30.23 C ATOM 1882 C VAL A 126 5.719 -0.510 0.029 1.00 55.22 C ATOM 1883 O VAL A 126 5.694 -1.592 -0.561 1.00 64.24 O ATOM 1884 CB VAL A 126 4.656 1.564 -0.946 1.00 30.10 C ATOM 1885 CG1 VAL A 126 4.954 1.043 -2.351 1.00 45.23 C ATOM 1886 CG2 VAL A 126 3.417 2.458 -0.953 1.00 14.11 C ATOM 0 H VAL A 126 4.278 1.923 1.496 1.00 44.14 H new ATOM 0 HA VAL A 126 3.611 -0.191 -0.233 1.00 30.23 H new ATOM 0 HB VAL A 126 5.511 2.159 -0.624 1.00 30.10 H new ATOM 0 HG11 VAL A 126 5.073 1.885 -3.033 1.00 45.23 H new ATOM 0 HG12 VAL A 126 5.873 0.457 -2.334 1.00 45.23 H new ATOM 0 HG13 VAL A 126 4.129 0.416 -2.689 1.00 45.23 H new ATOM 0 HG21 VAL A 126 3.559 3.271 -1.665 1.00 14.11 H new ATOM 0 HG22 VAL A 126 2.546 1.870 -1.242 1.00 14.11 H new ATOM 0 HG23 VAL A 126 3.261 2.872 0.043 1.00 14.11 H new ATOM 1896 N GLN A 127 6.798 -0.064 0.675 1.00 23.43 N ATOM 1897 CA GLN A 127 8.027 -0.860 0.781 1.00 24.32 C ATOM 1898 C GLN A 127 7.757 -2.208 1.463 1.00 14.20 C ATOM 1899 O GLN A 127 8.217 -3.251 1.002 1.00 11.43 O ATOM 1900 CB GLN A 127 9.088 -0.084 1.574 1.00 25.12 C ATOM 1901 CG GLN A 127 9.559 1.200 0.894 1.00 2.41 C ATOM 1902 CD GLN A 127 10.405 2.069 1.815 1.00 65.35 C ATOM 1903 OE1 GLN A 127 10.217 2.073 3.027 1.00 3.22 O ATOM 1904 NE2 GLN A 127 11.334 2.813 1.253 1.00 44.24 N ATOM 0 H GLN A 127 6.848 0.845 1.134 1.00 23.43 H new ATOM 0 HA GLN A 127 8.392 -1.052 -0.228 1.00 24.32 H new ATOM 0 HB2 GLN A 127 8.683 0.165 2.555 1.00 25.12 H new ATOM 0 HB3 GLN A 127 9.949 -0.732 1.739 1.00 25.12 H new ATOM 0 HG2 GLN A 127 10.138 0.946 0.006 1.00 2.41 H new ATOM 0 HG3 GLN A 127 8.692 1.769 0.558 1.00 2.41 H new ATOM 0 HE21 GLN A 127 11.466 2.787 0.242 1.00 44.24 H new ATOM 0 HE22 GLN A 127 11.922 3.415 1.829 1.00 44.24 H new ATOM 1913 N GLU A 128 7.005 -2.172 2.560 1.00 33.55 N ATOM 1914 CA GLU A 128 6.673 -3.380 3.318 1.00 64.43 C ATOM 1915 C GLU A 128 5.782 -4.334 2.498 1.00 5.35 C ATOM 1916 O GLU A 128 6.123 -5.501 2.307 1.00 42.23 O ATOM 1917 CB GLU A 128 5.977 -2.984 4.628 1.00 12.53 C ATOM 1918 CG GLU A 128 5.711 -4.147 5.578 1.00 30.32 C ATOM 1919 CD GLU A 128 6.986 -4.781 6.110 1.00 72.11 C ATOM 1920 OE1 GLU A 128 7.590 -4.223 7.046 1.00 25.04 O ATOM 1921 OE2 GLU A 128 7.386 -5.848 5.604 1.00 55.23 O ATOM 0 H GLU A 128 6.611 -1.315 2.947 1.00 33.55 H new ATOM 0 HA GLU A 128 7.597 -3.913 3.543 1.00 64.43 H new ATOM 0 HB2 GLU A 128 6.591 -2.244 5.142 1.00 12.53 H new ATOM 0 HB3 GLU A 128 5.029 -2.501 4.390 1.00 12.53 H new ATOM 0 HG2 GLU A 128 5.110 -3.795 6.416 1.00 30.32 H new ATOM 0 HG3 GLU A 128 5.123 -4.905 5.060 1.00 30.32 H new ATOM 1928 N ILE A 129 4.654 -3.818 2.001 1.00 52.22 N ATOM 1929 CA ILE A 129 3.711 -4.610 1.195 1.00 33.11 C ATOM 1930 C ILE A 129 4.404 -5.293 0.003 1.00 34.02 C ATOM 1931 O ILE A 129 4.316 -6.512 -0.169 1.00 15.13 O ATOM 1932 CB ILE A 129 2.547 -3.724 0.663 1.00 12.23 C ATOM 1933 CG1 ILE A 129 1.687 -3.198 1.826 1.00 41.43 C ATOM 1934 CG2 ILE A 129 1.684 -4.495 -0.339 1.00 40.33 C ATOM 1935 CD1 ILE A 129 0.588 -2.246 1.395 1.00 24.23 C ATOM 0 H ILE A 129 4.368 -2.849 2.142 1.00 52.22 H new ATOM 0 HA ILE A 129 3.312 -5.380 1.855 1.00 33.11 H new ATOM 0 HB ILE A 129 2.985 -2.870 0.146 1.00 12.23 H new ATOM 0 HG12 ILE A 129 1.238 -4.045 2.345 1.00 41.43 H new ATOM 0 HG13 ILE A 129 2.333 -2.691 2.543 1.00 41.43 H new ATOM 0 HG21 ILE A 129 0.878 -3.853 -0.695 1.00 40.33 H new ATOM 0 HG22 ILE A 129 2.298 -4.808 -1.183 1.00 40.33 H new ATOM 0 HG23 ILE A 129 1.260 -5.374 0.147 1.00 40.33 H new ATOM 0 HD11 ILE A 129 0.026 -1.919 2.270 1.00 24.23 H new ATOM 0 HD12 ILE A 129 1.030 -1.380 0.903 1.00 24.23 H new ATOM 0 HD13 ILE A 129 -0.083 -2.754 0.702 1.00 24.23 H new ATOM 1947 N SER A 130 5.098 -4.501 -0.813 1.00 63.32 N ATOM 1948 CA SER A 130 5.768 -5.019 -2.015 1.00 42.23 C ATOM 1949 C SER A 130 6.833 -6.067 -1.665 1.00 32.21 C ATOM 1950 O SER A 130 6.988 -7.062 -2.371 1.00 53.43 O ATOM 1951 CB SER A 130 6.408 -3.874 -2.814 1.00 2.03 C ATOM 1952 OG SER A 130 7.441 -3.239 -2.078 1.00 50.12 O ATOM 0 H SER A 130 5.214 -3.498 -0.668 1.00 63.32 H new ATOM 0 HA SER A 130 5.006 -5.502 -2.626 1.00 42.23 H new ATOM 0 HB2 SER A 130 6.812 -4.263 -3.749 1.00 2.03 H new ATOM 0 HB3 SER A 130 5.645 -3.142 -3.077 1.00 2.03 H new ATOM 0 HG SER A 130 7.049 -2.591 -1.457 1.00 50.12 H new ATOM 1958 N ASP A 131 7.558 -5.841 -0.570 1.00 4.43 N ATOM 1959 CA ASP A 131 8.609 -6.765 -0.129 1.00 74.24 C ATOM 1960 C ASP A 131 8.026 -8.122 0.310 1.00 63.33 C ATOM 1961 O ASP A 131 8.568 -9.174 -0.029 1.00 72.34 O ATOM 1962 CB ASP A 131 9.414 -6.129 1.010 1.00 31.54 C ATOM 1963 CG ASP A 131 10.581 -6.993 1.466 1.00 43.21 C ATOM 1964 OD1 ASP A 131 11.485 -7.263 0.652 1.00 44.51 O ATOM 1965 OD2 ASP A 131 10.608 -7.394 2.647 1.00 33.35 O ATOM 0 H ASP A 131 7.438 -5.025 0.031 1.00 4.43 H new ATOM 0 HA ASP A 131 9.271 -6.955 -0.974 1.00 74.24 H new ATOM 0 HB2 ASP A 131 9.792 -5.160 0.684 1.00 31.54 H new ATOM 0 HB3 ASP A 131 8.753 -5.945 1.857 1.00 31.54 H new ATOM 1970 N VAL A 132 6.915 -8.092 1.055 1.00 12.14 N ATOM 1971 CA VAL A 132 6.241 -9.326 1.497 1.00 73.01 C ATOM 1972 C VAL A 132 5.901 -10.243 0.305 1.00 4.45 C ATOM 1973 O VAL A 132 6.054 -11.466 0.378 1.00 21.41 O ATOM 1974 CB VAL A 132 4.939 -9.018 2.289 1.00 54.40 C ATOM 1975 CG1 VAL A 132 4.216 -10.307 2.681 1.00 34.22 C ATOM 1976 CG2 VAL A 132 5.246 -8.177 3.527 1.00 23.32 C ATOM 0 H VAL A 132 6.462 -7.232 1.365 1.00 12.14 H new ATOM 0 HA VAL A 132 6.942 -9.840 2.155 1.00 73.01 H new ATOM 0 HB VAL A 132 4.279 -8.445 1.638 1.00 54.40 H new ATOM 0 HG11 VAL A 132 3.309 -10.062 3.234 1.00 34.22 H new ATOM 0 HG12 VAL A 132 3.954 -10.865 1.782 1.00 34.22 H new ATOM 0 HG13 VAL A 132 4.869 -10.915 3.307 1.00 34.22 H new ATOM 0 HG21 VAL A 132 4.321 -7.973 4.067 1.00 23.32 H new ATOM 0 HG22 VAL A 132 5.932 -8.721 4.176 1.00 23.32 H new ATOM 0 HG23 VAL A 132 5.704 -7.236 3.223 1.00 23.32 H new ATOM 1986 N VAL A 133 5.456 -9.639 -0.795 1.00 41.45 N ATOM 1987 CA VAL A 133 5.110 -10.387 -2.010 1.00 64.15 C ATOM 1988 C VAL A 133 6.354 -11.048 -2.641 1.00 43.23 C ATOM 1989 O VAL A 133 6.247 -12.022 -3.388 1.00 13.20 O ATOM 1990 CB VAL A 133 4.438 -9.462 -3.063 1.00 34.11 C ATOM 1991 CG1 VAL A 133 3.921 -10.268 -4.253 1.00 14.23 C ATOM 1992 CG2 VAL A 133 3.311 -8.649 -2.430 1.00 35.23 C ATOM 0 H VAL A 133 5.325 -8.630 -0.873 1.00 41.45 H new ATOM 0 HA VAL A 133 4.408 -11.166 -1.712 1.00 64.15 H new ATOM 0 HB VAL A 133 5.195 -8.769 -3.430 1.00 34.11 H new ATOM 0 HG11 VAL A 133 3.456 -9.595 -4.974 1.00 14.23 H new ATOM 0 HG12 VAL A 133 4.752 -10.790 -4.728 1.00 14.23 H new ATOM 0 HG13 VAL A 133 3.186 -10.995 -3.908 1.00 14.23 H new ATOM 0 HG21 VAL A 133 2.855 -8.009 -3.186 1.00 35.23 H new ATOM 0 HG22 VAL A 133 2.558 -9.325 -2.025 1.00 35.23 H new ATOM 0 HG23 VAL A 133 3.714 -8.032 -1.627 1.00 35.23 H new ATOM 2002 N GLN A 134 7.533 -10.514 -2.323 1.00 74.32 N ATOM 2003 CA GLN A 134 8.795 -10.997 -2.902 1.00 34.32 C ATOM 2004 C GLN A 134 9.527 -11.972 -1.961 1.00 24.24 C ATOM 2005 O GLN A 134 10.693 -12.306 -2.189 1.00 52.13 O ATOM 2006 CB GLN A 134 9.708 -9.801 -3.216 1.00 53.24 C ATOM 2007 CG GLN A 134 9.020 -8.696 -4.012 1.00 12.21 C ATOM 2008 CD GLN A 134 9.931 -7.517 -4.309 1.00 33.32 C ATOM 2009 OE1 GLN A 134 11.136 -7.665 -4.471 1.00 53.05 O ATOM 2010 NE2 GLN A 134 9.359 -6.331 -4.369 1.00 4.23 N ATOM 0 H GLN A 134 7.645 -9.743 -1.665 1.00 74.32 H new ATOM 0 HA GLN A 134 8.554 -11.538 -3.817 1.00 34.32 H new ATOM 0 HB2 GLN A 134 10.081 -9.384 -2.280 1.00 53.24 H new ATOM 0 HB3 GLN A 134 10.575 -10.154 -3.775 1.00 53.24 H new ATOM 0 HG2 GLN A 134 8.653 -9.109 -4.952 1.00 12.21 H new ATOM 0 HG3 GLN A 134 8.151 -8.344 -3.457 1.00 12.21 H new ATOM 0 HE21 GLN A 134 8.352 -6.243 -4.229 1.00 4.23 H new ATOM 0 HE22 GLN A 134 9.923 -5.502 -4.555 1.00 4.23 H new ATOM 2019 N ARG A 135 8.844 -12.424 -0.905 1.00 3.33 N ATOM 2020 CA ARG A 135 9.442 -13.349 0.077 1.00 31.30 C ATOM 2021 C ARG A 135 9.037 -14.815 -0.195 1.00 24.32 C ATOM 2022 O ARG A 135 9.808 -15.536 -0.872 1.00 37.67 O ATOM 2023 CB ARG A 135 9.030 -12.945 1.501 1.00 4.21 C ATOM 2024 CG ARG A 135 9.433 -11.524 1.873 1.00 23.10 C ATOM 2025 CD ARG A 135 9.002 -11.161 3.287 1.00 71.31 C ATOM 2026 NE ARG A 135 9.256 -9.754 3.585 1.00 32.34 N ATOM 2027 CZ ARG A 135 8.628 -9.071 4.502 1.00 31.14 C ATOM 2028 NH1 ARG A 135 7.719 -9.626 5.241 1.00 31.02 N ATOM 2029 NH2 ARG A 135 8.906 -7.821 4.668 1.00 34.24 N ATOM 2030 OXT ARG A 135 7.957 -15.238 0.274 1.00 37.67 O ATOM 0 H ARG A 135 7.877 -12.168 -0.704 1.00 3.33 H new ATOM 0 HA ARG A 135 10.525 -13.281 -0.022 1.00 31.30 H new ATOM 0 HB2 ARG A 135 7.949 -13.045 1.599 1.00 4.21 H new ATOM 0 HB3 ARG A 135 9.480 -13.639 2.211 1.00 4.21 H new ATOM 0 HG2 ARG A 135 10.514 -11.419 1.785 1.00 23.10 H new ATOM 0 HG3 ARG A 135 8.987 -10.824 1.167 1.00 23.10 H new ATOM 0 HD2 ARG A 135 7.940 -11.373 3.409 1.00 71.31 H new ATOM 0 HD3 ARG A 135 9.536 -11.787 4.002 1.00 71.31 H new ATOM 0 HE ARG A 135 9.972 -9.274 3.040 1.00 32.34 H new ATOM 0 HH11 ARG A 135 7.486 -10.610 5.110 1.00 31.02 H new ATOM 0 HH12 ARG A 135 7.237 -9.078 5.954 1.00 31.02 H new ATOM 0 HH21 ARG A 135 9.613 -7.374 4.084 1.00 34.24 H new ATOM 0 HH22 ARG A 135 8.419 -7.281 5.383 1.00 34.24 H new