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 130 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 134 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Set 2.1: A 99 SER OG : rot 81:sc= 0.795 USER MOD Set 2.2: A 125 CYS SG : rot 72:sc= -2.71! USER MOD Set 3.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 45 CYS SG : rot -172:sc= 1.55 USER MOD Set 4.2: A 68 GLN : amide:sc= -1.05 X(o=0.93,f=0.85!) USER MOD Set 4.3: A 72 TYR OH : rot 80:sc= 0.43 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.03) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00403) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 75:sc= 0.679 USER MOD Single : A 54 THR OG1 : rot -67:sc= 1.35 USER MOD Single : A 59 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.96) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 67 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3.3!) USER MOD Single : A 73 CYS SG : rot 79:sc= 0.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.1!) USER MOD Single : A 85 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.61) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -156:sc= 0.584 (180deg=-0.427!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 104 GLN : amide:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 106 SER OG : rot -36:sc= 0.737 USER MOD Single : A 107 SER OG : rot -96:sc= 0.453 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.461 K(o=0.46,f=-0.86) USER MOD Single : A 120 ASN : amide:sc=-0.00324 X(o=-0.0032,f=-0.37) USER MOD Single : A 121 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.9) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.036 -12.775 -10.464 1.00 2.21 N ATOM 529 CA LYS A 36 -7.593 -11.807 -11.476 1.00 4.14 C ATOM 530 C LYS A 36 -6.354 -11.027 -10.993 1.00 20.40 C ATOM 531 O LYS A 36 -5.500 -10.638 -11.798 1.00 33.24 O ATOM 532 CB LYS A 36 -8.753 -10.849 -11.831 1.00 32.51 C ATOM 533 CG LYS A 36 -8.406 -9.763 -12.858 1.00 13.14 C ATOM 534 CD LYS A 36 -7.882 -8.480 -12.202 1.00 53.52 C ATOM 535 CE LYS A 36 -7.360 -7.479 -13.228 1.00 12.21 C ATOM 536 NZ LYS A 36 -8.398 -7.090 -14.222 1.00 35.50 N ATOM 0 HA LYS A 36 -7.304 -12.350 -12.376 1.00 4.14 H new ATOM 0 HB2 LYS A 36 -9.586 -11.438 -12.215 1.00 32.51 H new ATOM 0 HB3 LYS A 36 -9.098 -10.366 -10.917 1.00 32.51 H new ATOM 0 HG2 LYS A 36 -7.655 -10.147 -13.548 1.00 13.14 H new ATOM 0 HG3 LYS A 36 -9.292 -9.530 -13.448 1.00 13.14 H new ATOM 0 HD2 LYS A 36 -8.681 -8.019 -11.621 1.00 53.52 H new ATOM 0 HD3 LYS A 36 -7.084 -8.731 -11.503 1.00 53.52 H new ATOM 0 HE2 LYS A 36 -7.003 -6.588 -12.712 1.00 12.21 H new ATOM 0 HE3 LYS A 36 -6.505 -7.910 -13.749 1.00 12.21 H new ATOM 0 HZ1 LYS A 36 -8.033 -6.323 -14.823 1.00 35.50 H new ATOM 0 HZ2 LYS A 36 -8.636 -7.911 -14.815 1.00 35.50 H new ATOM 0 HZ3 LYS A 36 -9.251 -6.764 -13.724 1.00 35.50 H new ATOM 550 N ILE A 37 -6.255 -10.812 -9.682 1.00 43.24 N ATOM 551 CA ILE A 37 -5.139 -10.055 -9.100 1.00 41.55 C ATOM 552 C ILE A 37 -3.800 -10.799 -9.273 1.00 35.42 C ATOM 553 O ILE A 37 -3.599 -11.879 -8.714 1.00 13.10 O ATOM 554 CB ILE A 37 -5.366 -9.769 -7.591 1.00 71.43 C ATOM 555 CG1 ILE A 37 -6.738 -9.109 -7.355 1.00 51.44 C ATOM 556 CG2 ILE A 37 -4.245 -8.887 -7.039 1.00 30.54 C ATOM 557 CD1 ILE A 37 -6.936 -7.795 -8.085 1.00 10.32 C ATOM 0 H ILE A 37 -6.933 -11.150 -8.999 1.00 43.24 H new ATOM 0 HA ILE A 37 -5.095 -9.109 -9.639 1.00 41.55 H new ATOM 0 HB ILE A 37 -5.353 -10.721 -7.060 1.00 71.43 H new ATOM 0 HG12 ILE A 37 -7.519 -9.803 -7.664 1.00 51.44 H new ATOM 0 HG13 ILE A 37 -6.867 -8.940 -6.286 1.00 51.44 H new ATOM 0 HG21 ILE A 37 -4.420 -8.696 -5.980 1.00 30.54 H new ATOM 0 HG22 ILE A 37 -3.288 -9.394 -7.163 1.00 30.54 H new ATOM 0 HG23 ILE A 37 -4.227 -7.941 -7.580 1.00 30.54 H new ATOM 0 HD11 ILE A 37 -7.928 -7.401 -7.862 1.00 10.32 H new ATOM 0 HD12 ILE A 37 -6.180 -7.080 -7.759 1.00 10.32 H new ATOM 0 HD13 ILE A 37 -6.843 -7.958 -9.159 1.00 10.32 H new ATOM 569 N SER A 38 -2.889 -10.216 -10.052 1.00 63.42 N ATOM 570 CA SER A 38 -1.570 -10.822 -10.304 1.00 11.24 C ATOM 571 C SER A 38 -0.453 -10.087 -9.547 1.00 33.34 C ATOM 572 O SER A 38 -0.517 -8.869 -9.357 1.00 52.15 O ATOM 573 CB SER A 38 -1.256 -10.808 -11.809 1.00 31.13 C ATOM 574 OG SER A 38 -2.244 -11.506 -12.558 1.00 61.44 O ATOM 0 H SER A 38 -3.035 -9.323 -10.523 1.00 63.42 H new ATOM 0 HA SER A 38 -1.611 -11.850 -9.944 1.00 11.24 H new ATOM 0 HB2 SER A 38 -1.195 -9.777 -12.159 1.00 31.13 H new ATOM 0 HB3 SER A 38 -0.280 -11.262 -11.982 1.00 31.13 H new ATOM 0 HG SER A 38 -2.014 -11.476 -13.510 1.00 61.44 H new ATOM 580 N LYS A 39 0.574 -10.835 -9.132 1.00 30.43 N ATOM 581 CA LYS A 39 1.736 -10.274 -8.420 1.00 34.43 C ATOM 582 C LYS A 39 2.369 -9.095 -9.187 1.00 71.54 C ATOM 583 O LYS A 39 2.602 -8.026 -8.621 1.00 53.53 O ATOM 584 CB LYS A 39 2.777 -11.385 -8.177 1.00 12.10 C ATOM 585 CG LYS A 39 4.089 -10.904 -7.551 1.00 30.32 C ATOM 586 CD LYS A 39 4.950 -12.074 -7.068 1.00 15.42 C ATOM 587 CE LYS A 39 6.303 -11.615 -6.518 1.00 50.40 C ATOM 588 NZ LYS A 39 7.242 -11.195 -7.598 1.00 50.34 N ATOM 0 H LYS A 39 0.627 -11.843 -9.277 1.00 30.43 H new ATOM 0 HA LYS A 39 1.391 -9.882 -7.463 1.00 34.43 H new ATOM 0 HB2 LYS A 39 2.336 -12.142 -7.528 1.00 12.10 H new ATOM 0 HB3 LYS A 39 3.000 -11.870 -9.127 1.00 12.10 H new ATOM 0 HG2 LYS A 39 4.647 -10.319 -8.282 1.00 30.32 H new ATOM 0 HG3 LYS A 39 3.871 -10.243 -6.713 1.00 30.32 H new ATOM 0 HD2 LYS A 39 4.413 -12.621 -6.293 1.00 15.42 H new ATOM 0 HD3 LYS A 39 5.113 -12.767 -7.894 1.00 15.42 H new ATOM 0 HE2 LYS A 39 6.149 -10.784 -5.830 1.00 50.40 H new ATOM 0 HE3 LYS A 39 6.753 -12.425 -5.944 1.00 50.40 H new ATOM 0 HZ1 LYS A 39 8.137 -10.877 -7.175 1.00 50.34 H new ATOM 0 HZ2 LYS A 39 7.425 -11.999 -8.231 1.00 50.34 H new ATOM 0 HZ3 LYS A 39 6.820 -10.415 -8.141 1.00 50.34 H new ATOM 602 N GLU A 40 2.633 -9.302 -10.477 1.00 35.44 N ATOM 603 CA GLU A 40 3.185 -8.251 -11.349 1.00 5.13 C ATOM 604 C GLU A 40 2.351 -6.954 -11.294 1.00 52.41 C ATOM 605 O GLU A 40 2.897 -5.861 -11.138 1.00 44.31 O ATOM 606 CB GLU A 40 3.274 -8.776 -12.795 1.00 34.44 C ATOM 607 CG GLU A 40 1.965 -9.354 -13.332 1.00 21.35 C ATOM 608 CD GLU A 40 2.124 -10.039 -14.685 1.00 13.32 C ATOM 609 OE1 GLU A 40 2.640 -11.178 -14.723 1.00 20.11 O ATOM 610 OE2 GLU A 40 1.723 -9.456 -15.712 1.00 13.34 O ATOM 0 H GLU A 40 2.474 -10.192 -10.949 1.00 35.44 H new ATOM 0 HA GLU A 40 4.183 -8.002 -10.987 1.00 5.13 H new ATOM 0 HB2 GLU A 40 3.593 -7.962 -13.446 1.00 34.44 H new ATOM 0 HB3 GLU A 40 4.045 -9.545 -12.844 1.00 34.44 H new ATOM 0 HG2 GLU A 40 1.569 -10.071 -12.613 1.00 21.35 H new ATOM 0 HG3 GLU A 40 1.231 -8.553 -13.421 1.00 21.35 H new ATOM 617 N ALA A 41 1.029 -7.088 -11.399 1.00 55.34 N ATOM 618 CA ALA A 41 0.125 -5.930 -11.383 1.00 53.43 C ATOM 619 C ALA A 41 0.212 -5.156 -10.058 1.00 64.14 C ATOM 620 O ALA A 41 0.309 -3.927 -10.048 1.00 13.11 O ATOM 621 CB ALA A 41 -1.309 -6.382 -11.641 1.00 2.31 C ATOM 0 H ALA A 41 0.556 -7.987 -11.496 1.00 55.34 H new ATOM 0 HA ALA A 41 0.437 -5.253 -12.178 1.00 53.43 H new ATOM 0 HB1 ALA A 41 -1.971 -5.516 -11.627 1.00 2.31 H new ATOM 0 HB2 ALA A 41 -1.368 -6.868 -12.615 1.00 2.31 H new ATOM 0 HB3 ALA A 41 -1.614 -7.085 -10.866 1.00 2.31 H new ATOM 627 N LEU A 42 0.181 -5.887 -8.941 1.00 72.34 N ATOM 628 CA LEU A 42 0.251 -5.275 -7.608 1.00 13.02 C ATOM 629 C LEU A 42 1.567 -4.494 -7.439 1.00 65.11 C ATOM 630 O LEU A 42 1.564 -3.333 -7.020 1.00 63.31 O ATOM 631 CB LEU A 42 0.115 -6.370 -6.524 1.00 5.23 C ATOM 632 CG LEU A 42 -0.236 -5.890 -5.096 1.00 40.00 C ATOM 633 CD1 LEU A 42 -0.667 -7.069 -4.228 1.00 15.33 C ATOM 634 CD2 LEU A 42 0.936 -5.156 -4.441 1.00 21.12 C ATOM 0 H LEU A 42 0.108 -6.904 -8.931 1.00 72.34 H new ATOM 0 HA LEU A 42 -0.572 -4.569 -7.497 1.00 13.02 H new ATOM 0 HB2 LEU A 42 -0.653 -7.074 -6.845 1.00 5.23 H new ATOM 0 HB3 LEU A 42 1.054 -6.922 -6.477 1.00 5.23 H new ATOM 0 HG LEU A 42 -1.064 -5.187 -5.182 1.00 40.00 H new ATOM 0 HD11 LEU A 42 -0.910 -6.714 -3.227 1.00 15.33 H new ATOM 0 HD12 LEU A 42 -1.544 -7.543 -4.668 1.00 15.33 H new ATOM 0 HD13 LEU A 42 0.145 -7.793 -4.169 1.00 15.33 H new ATOM 0 HD21 LEU A 42 0.650 -4.835 -3.439 1.00 21.12 H new ATOM 0 HD22 LEU A 42 1.794 -5.825 -4.376 1.00 21.12 H new ATOM 0 HD23 LEU A 42 1.200 -4.285 -5.040 1.00 21.12 H new ATOM 646 N LEU A 43 2.687 -5.135 -7.778 1.00 52.34 N ATOM 647 CA LEU A 43 4.009 -4.507 -7.667 1.00 60.22 C ATOM 648 C LEU A 43 4.101 -3.208 -8.485 1.00 43.34 C ATOM 649 O LEU A 43 4.584 -2.189 -7.987 1.00 31.23 O ATOM 650 CB LEU A 43 5.101 -5.488 -8.111 1.00 33.04 C ATOM 651 CG LEU A 43 5.256 -6.739 -7.228 1.00 22.15 C ATOM 652 CD1 LEU A 43 6.340 -7.663 -7.778 1.00 14.03 C ATOM 653 CD2 LEU A 43 5.565 -6.348 -5.782 1.00 1.35 C ATOM 0 H LEU A 43 2.707 -6.091 -8.133 1.00 52.34 H new ATOM 0 HA LEU A 43 4.159 -4.247 -6.619 1.00 60.22 H new ATOM 0 HB2 LEU A 43 4.888 -5.807 -9.131 1.00 33.04 H new ATOM 0 HB3 LEU A 43 6.054 -4.959 -8.135 1.00 33.04 H new ATOM 0 HG LEU A 43 4.310 -7.280 -7.241 1.00 22.15 H new ATOM 0 HD11 LEU A 43 6.431 -8.540 -7.137 1.00 14.03 H new ATOM 0 HD12 LEU A 43 6.073 -7.977 -8.787 1.00 14.03 H new ATOM 0 HD13 LEU A 43 7.292 -7.132 -7.804 1.00 14.03 H new ATOM 0 HD21 LEU A 43 5.670 -7.248 -5.176 1.00 1.35 H new ATOM 0 HD22 LEU A 43 6.494 -5.778 -5.750 1.00 1.35 H new ATOM 0 HD23 LEU A 43 4.752 -5.739 -5.388 1.00 1.35 H new ATOM 665 N GLU A 44 3.638 -3.251 -9.737 1.00 74.31 N ATOM 666 CA GLU A 44 3.641 -2.067 -10.608 1.00 25.33 C ATOM 667 C GLU A 44 2.848 -0.905 -9.993 1.00 5.02 C ATOM 668 O GLU A 44 3.338 0.226 -9.913 1.00 32.15 O ATOM 669 CB GLU A 44 3.063 -2.407 -11.992 1.00 40.32 C ATOM 670 CG GLU A 44 3.911 -3.389 -12.798 1.00 64.12 C ATOM 671 CD GLU A 44 5.341 -2.908 -13.001 1.00 62.31 C ATOM 672 OE1 GLU A 44 5.529 -1.760 -13.465 1.00 23.54 O ATOM 673 OE2 GLU A 44 6.282 -3.678 -12.706 1.00 63.24 O ATOM 0 H GLU A 44 3.256 -4.091 -10.172 1.00 74.31 H new ATOM 0 HA GLU A 44 4.679 -1.754 -10.716 1.00 25.33 H new ATOM 0 HB2 GLU A 44 2.065 -2.826 -11.864 1.00 40.32 H new ATOM 0 HB3 GLU A 44 2.951 -1.486 -12.564 1.00 40.32 H new ATOM 0 HG2 GLU A 44 3.926 -4.352 -12.288 1.00 64.12 H new ATOM 0 HG3 GLU A 44 3.446 -3.550 -13.770 1.00 64.12 H new ATOM 680 N CYS A 45 1.620 -1.187 -9.561 1.00 52.54 N ATOM 681 CA CYS A 45 0.761 -0.162 -8.956 1.00 53.02 C ATOM 682 C CYS A 45 1.347 0.365 -7.640 1.00 22.14 C ATOM 683 O CYS A 45 1.209 1.542 -7.316 1.00 5.31 O ATOM 684 CB CYS A 45 -0.647 -0.713 -8.716 1.00 53.15 C ATOM 685 SG CYS A 45 -1.508 -1.218 -10.229 1.00 72.35 S ATOM 0 H CYS A 45 1.196 -2.113 -9.617 1.00 52.54 H new ATOM 0 HA CYS A 45 0.706 0.670 -9.658 1.00 53.02 H new ATOM 0 HB2 CYS A 45 -0.582 -1.569 -8.044 1.00 53.15 H new ATOM 0 HB3 CYS A 45 -1.242 0.046 -8.208 1.00 53.15 H new ATOM 0 HG CYS A 45 -2.742 -1.516 -9.947 1.00 72.35 H new ATOM 691 N ALA A 46 2.004 -0.512 -6.883 1.00 62.42 N ATOM 692 CA ALA A 46 2.670 -0.114 -5.640 1.00 34.12 C ATOM 693 C ALA A 46 3.851 0.829 -5.919 1.00 40.22 C ATOM 694 O ALA A 46 4.048 1.826 -5.216 1.00 61.20 O ATOM 695 CB ALA A 46 3.138 -1.348 -4.877 1.00 32.32 C ATOM 0 H ALA A 46 2.090 -1.503 -7.107 1.00 62.42 H new ATOM 0 HA ALA A 46 1.950 0.428 -5.026 1.00 34.12 H new ATOM 0 HB1 ALA A 46 3.631 -1.040 -3.955 1.00 32.32 H new ATOM 0 HB2 ALA A 46 2.279 -1.975 -4.637 1.00 32.32 H new ATOM 0 HB3 ALA A 46 3.838 -1.912 -5.493 1.00 32.32 H new ATOM 701 N ASP A 47 4.627 0.516 -6.957 1.00 11.42 N ATOM 702 CA ASP A 47 5.762 1.354 -7.355 1.00 32.32 C ATOM 703 C ASP A 47 5.304 2.767 -7.757 1.00 11.05 C ATOM 704 O ASP A 47 6.063 3.728 -7.643 1.00 55.45 O ATOM 705 CB ASP A 47 6.536 0.699 -8.506 1.00 30.41 C ATOM 706 CG ASP A 47 7.701 1.558 -8.973 1.00 12.44 C ATOM 707 OD1 ASP A 47 8.691 1.687 -8.223 1.00 62.15 O ATOM 708 OD2 ASP A 47 7.617 2.130 -10.082 1.00 42.45 O ATOM 0 H ASP A 47 4.492 -0.311 -7.538 1.00 11.42 H new ATOM 0 HA ASP A 47 6.423 1.448 -6.493 1.00 32.32 H new ATOM 0 HB2 ASP A 47 6.909 -0.273 -8.184 1.00 30.41 H new ATOM 0 HB3 ASP A 47 5.860 0.520 -9.342 1.00 30.41 H new ATOM 713 N LEU A 48 4.061 2.885 -8.226 1.00 53.55 N ATOM 714 CA LEU A 48 3.486 4.195 -8.560 1.00 54.30 C ATOM 715 C LEU A 48 3.538 5.153 -7.361 1.00 2.31 C ATOM 716 O LEU A 48 3.874 6.326 -7.512 1.00 52.12 O ATOM 717 CB LEU A 48 2.039 4.051 -9.057 1.00 22.53 C ATOM 718 CG LEU A 48 1.881 3.379 -10.429 1.00 74.24 C ATOM 719 CD1 LEU A 48 0.404 3.243 -10.799 1.00 43.51 C ATOM 720 CD2 LEU A 48 2.637 4.168 -11.497 1.00 60.14 C ATOM 0 H LEU A 48 3.434 2.096 -8.384 1.00 53.55 H new ATOM 0 HA LEU A 48 4.091 4.618 -9.362 1.00 54.30 H new ATOM 0 HB2 LEU A 48 1.475 3.476 -8.322 1.00 22.53 H new ATOM 0 HB3 LEU A 48 1.587 5.042 -9.102 1.00 22.53 H new ATOM 0 HG LEU A 48 2.308 2.378 -10.374 1.00 74.24 H new ATOM 0 HD11 LEU A 48 0.316 2.765 -11.774 1.00 43.51 H new ATOM 0 HD12 LEU A 48 -0.104 2.636 -10.050 1.00 43.51 H new ATOM 0 HD13 LEU A 48 -0.054 4.231 -10.837 1.00 43.51 H new ATOM 0 HD21 LEU A 48 2.516 3.680 -12.464 1.00 60.14 H new ATOM 0 HD22 LEU A 48 2.240 5.182 -11.550 1.00 60.14 H new ATOM 0 HD23 LEU A 48 3.696 4.206 -11.240 1.00 60.14 H new ATOM 732 N LEU A 49 3.216 4.648 -6.171 1.00 61.13 N ATOM 733 CA LEU A 49 3.297 5.457 -4.949 1.00 4.03 C ATOM 734 C LEU A 49 4.759 5.716 -4.569 1.00 10.40 C ATOM 735 O LEU A 49 5.138 6.847 -4.264 1.00 34.51 O ATOM 736 CB LEU A 49 2.562 4.781 -3.775 1.00 54.23 C ATOM 737 CG LEU A 49 1.033 4.659 -3.930 1.00 35.32 C ATOM 738 CD1 LEU A 49 0.669 3.597 -4.962 1.00 14.50 C ATOM 739 CD2 LEU A 49 0.374 4.352 -2.586 1.00 60.11 C ATOM 0 H LEU A 49 2.898 3.690 -6.024 1.00 61.13 H new ATOM 0 HA LEU A 49 2.808 6.409 -5.154 1.00 4.03 H new ATOM 0 HB2 LEU A 49 2.976 3.782 -3.637 1.00 54.23 H new ATOM 0 HB3 LEU A 49 2.774 5.343 -2.865 1.00 54.23 H new ATOM 0 HG LEU A 49 0.656 5.618 -4.286 1.00 35.32 H new ATOM 0 HD11 LEU A 49 -0.415 3.532 -5.051 1.00 14.50 H new ATOM 0 HD12 LEU A 49 1.097 3.866 -5.928 1.00 14.50 H new ATOM 0 HD13 LEU A 49 1.065 2.632 -4.646 1.00 14.50 H new ATOM 0 HD21 LEU A 49 -0.705 4.270 -2.720 1.00 60.11 H new ATOM 0 HD22 LEU A 49 0.763 3.412 -2.196 1.00 60.11 H new ATOM 0 HD23 LEU A 49 0.592 5.155 -1.882 1.00 60.11 H new ATOM 751 N SER A 50 5.576 4.663 -4.606 1.00 61.02 N ATOM 752 CA SER A 50 7.018 4.777 -4.323 1.00 42.03 C ATOM 753 C SER A 50 7.687 5.835 -5.219 1.00 35.22 C ATOM 754 O SER A 50 8.568 6.573 -4.782 1.00 51.43 O ATOM 755 CB SER A 50 7.711 3.419 -4.521 1.00 12.41 C ATOM 756 OG SER A 50 9.108 3.507 -4.280 1.00 50.31 O ATOM 0 H SER A 50 5.268 3.716 -4.829 1.00 61.02 H new ATOM 0 HA SER A 50 7.125 5.091 -3.285 1.00 42.03 H new ATOM 0 HB2 SER A 50 7.270 2.683 -3.848 1.00 12.41 H new ATOM 0 HB3 SER A 50 7.538 3.066 -5.538 1.00 12.41 H new ATOM 0 HG SER A 50 9.519 2.627 -4.413 1.00 50.31 H new ATOM 762 N SER A 51 7.262 5.895 -6.480 1.00 33.13 N ATOM 763 CA SER A 51 7.784 6.882 -7.438 1.00 44.20 C ATOM 764 C SER A 51 7.177 8.272 -7.198 1.00 24.13 C ATOM 765 O SER A 51 7.892 9.269 -7.090 1.00 33.25 O ATOM 766 CB SER A 51 7.484 6.436 -8.881 1.00 33.41 C ATOM 767 OG SER A 51 8.043 5.156 -9.155 1.00 64.35 O ATOM 0 H SER A 51 6.555 5.271 -6.868 1.00 33.13 H new ATOM 0 HA SER A 51 8.862 6.945 -7.290 1.00 44.20 H new ATOM 0 HB2 SER A 51 6.406 6.405 -9.037 1.00 33.41 H new ATOM 0 HB3 SER A 51 7.887 7.168 -9.581 1.00 33.41 H new ATOM 0 HG SER A 51 7.506 4.464 -8.715 1.00 64.35 H new ATOM 773 N ALA A 52 5.851 8.324 -7.084 1.00 53.10 N ATOM 774 CA ALA A 52 5.123 9.592 -6.947 1.00 0.12 C ATOM 775 C ALA A 52 5.558 10.389 -5.704 1.00 3.10 C ATOM 776 O ALA A 52 5.673 11.609 -5.752 1.00 11.34 O ATOM 777 CB ALA A 52 3.617 9.332 -6.918 1.00 34.22 C ATOM 0 H ALA A 52 5.252 7.498 -7.083 1.00 53.10 H new ATOM 0 HA ALA A 52 5.368 10.203 -7.816 1.00 0.12 H new ATOM 0 HB1 ALA A 52 3.086 10.279 -6.816 1.00 34.22 H new ATOM 0 HB2 ALA A 52 3.314 8.844 -7.844 1.00 34.22 H new ATOM 0 HB3 ALA A 52 3.375 8.688 -6.073 1.00 34.22 H new ATOM 783 N LEU A 53 5.825 9.693 -4.601 1.00 32.20 N ATOM 784 CA LEU A 53 6.202 10.350 -3.336 1.00 11.13 C ATOM 785 C LEU A 53 7.567 11.066 -3.416 1.00 64.02 C ATOM 786 O LEU A 53 7.909 11.861 -2.537 1.00 51.44 O ATOM 787 CB LEU A 53 6.210 9.329 -2.189 1.00 11.14 C ATOM 788 CG LEU A 53 4.828 8.758 -1.819 1.00 33.42 C ATOM 789 CD1 LEU A 53 4.960 7.631 -0.800 1.00 64.34 C ATOM 790 CD2 LEU A 53 3.910 9.859 -1.290 1.00 53.23 C ATOM 0 H LEU A 53 5.789 8.675 -4.550 1.00 32.20 H new ATOM 0 HA LEU A 53 5.451 11.116 -3.143 1.00 11.13 H new ATOM 0 HB2 LEU A 53 6.867 8.503 -2.462 1.00 11.14 H new ATOM 0 HB3 LEU A 53 6.641 9.800 -1.306 1.00 11.14 H new ATOM 0 HG LEU A 53 4.381 8.346 -2.724 1.00 33.42 H new ATOM 0 HD11 LEU A 53 3.971 7.244 -0.555 1.00 64.34 H new ATOM 0 HD12 LEU A 53 5.569 6.830 -1.220 1.00 64.34 H new ATOM 0 HD13 LEU A 53 5.435 8.012 0.104 1.00 64.34 H new ATOM 0 HD21 LEU A 53 2.940 9.433 -1.035 1.00 53.23 H new ATOM 0 HD22 LEU A 53 4.354 10.307 -0.401 1.00 53.23 H new ATOM 0 HD23 LEU A 53 3.780 10.624 -2.056 1.00 53.23 H new ATOM 802 N THR A 54 8.346 10.785 -4.463 1.00 42.53 N ATOM 803 CA THR A 54 9.655 11.440 -4.649 1.00 40.35 C ATOM 804 C THR A 54 9.541 12.703 -5.520 1.00 44.43 C ATOM 805 O THR A 54 10.527 13.409 -5.736 1.00 41.22 O ATOM 806 CB THR A 54 10.695 10.484 -5.292 1.00 11.11 C ATOM 807 OG1 THR A 54 10.356 10.215 -6.662 1.00 44.35 O ATOM 808 CG2 THR A 54 10.781 9.166 -4.524 1.00 43.23 C ATOM 0 H THR A 54 8.101 10.115 -5.192 1.00 42.53 H new ATOM 0 HA THR A 54 9.995 11.719 -3.652 1.00 40.35 H new ATOM 0 HB THR A 54 11.665 10.979 -5.250 1.00 11.11 H new ATOM 0 HG1 THR A 54 9.523 9.700 -6.698 1.00 44.35 H new ATOM 0 HG21 THR A 54 11.517 8.516 -4.997 1.00 43.23 H new ATOM 0 HG22 THR A 54 11.080 9.364 -3.495 1.00 43.23 H new ATOM 0 HG23 THR A 54 9.807 8.676 -4.531 1.00 43.23 H new ATOM 816 N GLU A 55 8.336 12.981 -6.015 1.00 43.51 N ATOM 817 CA GLU A 55 8.084 14.154 -6.865 1.00 63.52 C ATOM 818 C GLU A 55 6.759 14.835 -6.470 1.00 34.12 C ATOM 819 O GLU A 55 5.920 14.228 -5.812 1.00 33.40 O ATOM 820 CB GLU A 55 8.060 13.729 -8.345 1.00 33.41 C ATOM 821 CG GLU A 55 7.016 12.668 -8.673 1.00 4.24 C ATOM 822 CD GLU A 55 7.004 12.301 -10.149 1.00 54.31 C ATOM 823 OE1 GLU A 55 6.407 13.057 -10.948 1.00 65.01 O ATOM 824 OE2 GLU A 55 7.598 11.266 -10.524 1.00 52.13 O ATOM 0 H GLU A 55 7.510 12.408 -5.843 1.00 43.51 H new ATOM 0 HA GLU A 55 8.888 14.876 -6.720 1.00 63.52 H new ATOM 0 HB2 GLU A 55 7.874 14.609 -8.961 1.00 33.41 H new ATOM 0 HB3 GLU A 55 9.045 13.351 -8.619 1.00 33.41 H new ATOM 0 HG2 GLU A 55 7.212 11.774 -8.081 1.00 4.24 H new ATOM 0 HG3 GLU A 55 6.030 13.031 -8.384 1.00 4.24 H new ATOM 831 N PRO A 56 6.552 16.118 -6.829 1.00 23.42 N ATOM 832 CA PRO A 56 5.302 16.816 -6.484 1.00 14.01 C ATOM 833 C PRO A 56 4.060 16.165 -7.122 1.00 32.41 C ATOM 834 O PRO A 56 3.951 16.068 -8.350 1.00 34.01 O ATOM 835 CB PRO A 56 5.519 18.235 -7.044 1.00 23.21 C ATOM 836 CG PRO A 56 6.997 18.367 -7.204 1.00 3.42 C ATOM 837 CD PRO A 56 7.498 16.990 -7.543 1.00 22.10 C ATOM 0 HA PRO A 56 5.108 16.790 -5.412 1.00 14.01 H new ATOM 0 HB2 PRO A 56 5.006 18.366 -7.997 1.00 23.21 H new ATOM 0 HB3 PRO A 56 5.127 18.991 -6.364 1.00 23.21 H new ATOM 0 HG2 PRO A 56 7.243 19.078 -7.993 1.00 3.42 H new ATOM 0 HG3 PRO A 56 7.458 18.736 -6.288 1.00 3.42 H new ATOM 0 HD2 PRO A 56 7.485 16.807 -8.618 1.00 22.10 H new ATOM 0 HD3 PRO A 56 8.523 16.837 -7.206 1.00 22.10 H new ATOM 845 N VAL A 57 3.125 15.733 -6.275 1.00 51.23 N ATOM 846 CA VAL A 57 1.847 15.162 -6.715 1.00 70.24 C ATOM 847 C VAL A 57 0.715 15.584 -5.766 1.00 4.51 C ATOM 848 O VAL A 57 0.937 15.726 -4.564 1.00 42.20 O ATOM 849 CB VAL A 57 1.894 13.608 -6.783 1.00 51.24 C ATOM 850 CG1 VAL A 57 2.753 13.128 -7.952 1.00 23.12 C ATOM 851 CG2 VAL A 57 2.403 13.023 -5.466 1.00 63.41 C ATOM 0 H VAL A 57 3.231 15.768 -5.261 1.00 51.23 H new ATOM 0 HA VAL A 57 1.658 15.546 -7.718 1.00 70.24 H new ATOM 0 HB VAL A 57 0.877 13.253 -6.948 1.00 51.24 H new ATOM 0 HG11 VAL A 57 2.765 12.038 -7.971 1.00 23.12 H new ATOM 0 HG12 VAL A 57 2.337 13.503 -8.887 1.00 23.12 H new ATOM 0 HG13 VAL A 57 3.771 13.500 -7.833 1.00 23.12 H new ATOM 0 HG21 VAL A 57 2.428 11.936 -5.536 1.00 63.41 H new ATOM 0 HG22 VAL A 57 3.407 13.396 -5.266 1.00 63.41 H new ATOM 0 HG23 VAL A 57 1.738 13.319 -4.655 1.00 63.41 H new ATOM 861 N PRO A 58 -0.507 15.806 -6.282 1.00 62.42 N ATOM 862 CA PRO A 58 -1.665 16.132 -5.432 1.00 3.53 C ATOM 863 C PRO A 58 -1.991 15.017 -4.417 1.00 73.42 C ATOM 864 O PRO A 58 -2.147 13.850 -4.783 1.00 4.41 O ATOM 865 CB PRO A 58 -2.817 16.314 -6.437 1.00 51.43 C ATOM 866 CG PRO A 58 -2.354 15.648 -7.693 1.00 22.34 C ATOM 867 CD PRO A 58 -0.857 15.784 -7.714 1.00 44.04 C ATOM 0 HA PRO A 58 -1.480 17.015 -4.821 1.00 3.53 H new ATOM 0 HB2 PRO A 58 -3.737 15.860 -6.067 1.00 51.43 H new ATOM 0 HB3 PRO A 58 -3.028 17.370 -6.606 1.00 51.43 H new ATOM 0 HG2 PRO A 58 -2.650 14.599 -7.709 1.00 22.34 H new ATOM 0 HG3 PRO A 58 -2.800 16.118 -8.570 1.00 22.34 H new ATOM 0 HD2 PRO A 58 -0.383 14.951 -8.233 1.00 44.04 H new ATOM 0 HD3 PRO A 58 -0.541 16.696 -8.221 1.00 44.04 H new ATOM 875 N ASN A 59 -2.100 15.393 -3.139 1.00 42.21 N ATOM 876 CA ASN A 59 -2.395 14.436 -2.056 1.00 4.01 C ATOM 877 C ASN A 59 -3.625 13.560 -2.369 1.00 34.23 C ATOM 878 O ASN A 59 -3.645 12.366 -2.054 1.00 22.21 O ATOM 879 CB ASN A 59 -2.600 15.187 -0.735 1.00 30.45 C ATOM 880 CG ASN A 59 -1.314 15.818 -0.225 1.00 13.31 C ATOM 881 OD1 ASN A 59 -0.234 15.256 -0.351 1.00 2.42 O ATOM 882 ND2 ASN A 59 -1.415 17.003 0.339 1.00 45.01 N ATOM 0 H ASN A 59 -1.989 16.357 -2.823 1.00 42.21 H new ATOM 0 HA ASN A 59 -1.538 13.768 -1.967 1.00 4.01 H new ATOM 0 HB2 ASN A 59 -3.353 15.963 -0.874 1.00 30.45 H new ATOM 0 HB3 ASN A 59 -2.987 14.498 0.016 1.00 30.45 H new ATOM 0 HD21 ASN A 59 -0.580 17.476 0.684 1.00 45.01 H new ATOM 0 HD22 ASN A 59 -2.328 17.448 0.431 1.00 45.01 H new ATOM 889 N SER A 60 -4.639 14.158 -2.994 1.00 15.11 N ATOM 890 CA SER A 60 -5.839 13.417 -3.418 1.00 42.43 C ATOM 891 C SER A 60 -5.481 12.276 -4.383 1.00 50.35 C ATOM 892 O SER A 60 -6.045 11.181 -4.305 1.00 74.50 O ATOM 893 CB SER A 60 -6.851 14.357 -4.088 1.00 63.03 C ATOM 894 OG SER A 60 -8.021 13.654 -4.487 1.00 31.44 O ATOM 0 H SER A 60 -4.659 15.152 -3.220 1.00 15.11 H new ATOM 0 HA SER A 60 -6.287 12.987 -2.522 1.00 42.43 H new ATOM 0 HB2 SER A 60 -7.121 15.156 -3.398 1.00 63.03 H new ATOM 0 HB3 SER A 60 -6.393 14.829 -4.957 1.00 63.03 H new ATOM 0 HG SER A 60 -8.649 14.277 -4.909 1.00 31.44 H new ATOM 900 N GLN A 61 -4.529 12.534 -5.284 1.00 42.13 N ATOM 901 CA GLN A 61 -4.055 11.518 -6.235 1.00 4.11 C ATOM 902 C GLN A 61 -3.381 10.352 -5.500 1.00 34.42 C ATOM 903 O GLN A 61 -3.536 9.191 -5.879 1.00 60.53 O ATOM 904 CB GLN A 61 -3.073 12.143 -7.237 1.00 24.44 C ATOM 905 CG GLN A 61 -2.493 11.159 -8.255 1.00 71.23 C ATOM 906 CD GLN A 61 -1.487 11.803 -9.199 1.00 25.03 C ATOM 907 OE1 GLN A 61 -1.569 12.986 -9.500 1.00 1.55 O ATOM 908 NE2 GLN A 61 -0.530 11.028 -9.673 1.00 2.33 N ATOM 0 H GLN A 61 -4.069 13.440 -5.377 1.00 42.13 H new ATOM 0 HA GLN A 61 -4.919 11.132 -6.776 1.00 4.11 H new ATOM 0 HB2 GLN A 61 -3.582 12.944 -7.774 1.00 24.44 H new ATOM 0 HB3 GLN A 61 -2.252 12.601 -6.685 1.00 24.44 H new ATOM 0 HG2 GLN A 61 -2.011 10.338 -7.724 1.00 71.23 H new ATOM 0 HG3 GLN A 61 -3.306 10.727 -8.839 1.00 71.23 H new ATOM 0 HE21 GLN A 61 -0.489 10.045 -9.403 1.00 2.33 H new ATOM 0 HE22 GLN A 61 0.169 11.412 -10.309 1.00 2.33 H new ATOM 917 N LEU A 62 -2.624 10.673 -4.452 1.00 24.32 N ATOM 918 CA LEU A 62 -1.978 9.653 -3.618 1.00 53.33 C ATOM 919 C LEU A 62 -3.015 8.748 -2.938 1.00 14.11 C ATOM 920 O LEU A 62 -2.931 7.521 -3.015 1.00 33.31 O ATOM 921 CB LEU A 62 -1.088 10.324 -2.564 1.00 63.24 C ATOM 922 CG LEU A 62 0.123 11.084 -3.128 1.00 5.54 C ATOM 923 CD1 LEU A 62 0.853 11.838 -2.021 1.00 21.41 C ATOM 924 CD2 LEU A 62 1.072 10.124 -3.851 1.00 42.25 C ATOM 0 H LEU A 62 -2.441 11.632 -4.157 1.00 24.32 H new ATOM 0 HA LEU A 62 -1.362 9.028 -4.264 1.00 53.33 H new ATOM 0 HB2 LEU A 62 -1.697 11.018 -1.985 1.00 63.24 H new ATOM 0 HB3 LEU A 62 -0.730 9.561 -1.873 1.00 63.24 H new ATOM 0 HG LEU A 62 -0.239 11.815 -3.851 1.00 5.54 H new ATOM 0 HD11 LEU A 62 1.706 12.368 -2.444 1.00 21.41 H new ATOM 0 HD12 LEU A 62 0.173 12.554 -1.559 1.00 21.41 H new ATOM 0 HD13 LEU A 62 1.202 11.131 -1.268 1.00 21.41 H new ATOM 0 HD21 LEU A 62 1.923 10.681 -4.243 1.00 42.25 H new ATOM 0 HD22 LEU A 62 1.425 9.366 -3.152 1.00 42.25 H new ATOM 0 HD23 LEU A 62 0.544 9.641 -4.673 1.00 42.25 H new ATOM 936 N VAL A 63 -3.997 9.363 -2.281 1.00 65.41 N ATOM 937 CA VAL A 63 -5.081 8.619 -1.628 1.00 1.12 C ATOM 938 C VAL A 63 -5.872 7.772 -2.644 1.00 44.54 C ATOM 939 O VAL A 63 -6.214 6.616 -2.376 1.00 24.22 O ATOM 940 CB VAL A 63 -6.048 9.577 -0.887 1.00 33.33 C ATOM 941 CG1 VAL A 63 -7.147 8.799 -0.171 1.00 73.54 C ATOM 942 CG2 VAL A 63 -5.280 10.456 0.100 1.00 3.24 C ATOM 0 H VAL A 63 -4.067 10.376 -2.185 1.00 65.41 H new ATOM 0 HA VAL A 63 -4.618 7.951 -0.901 1.00 1.12 H new ATOM 0 HB VAL A 63 -6.520 10.221 -1.629 1.00 33.33 H new ATOM 0 HG11 VAL A 63 -7.811 9.495 0.341 1.00 73.54 H new ATOM 0 HG12 VAL A 63 -7.717 8.222 -0.899 1.00 73.54 H new ATOM 0 HG13 VAL A 63 -6.699 8.123 0.557 1.00 73.54 H new ATOM 0 HG21 VAL A 63 -5.975 11.122 0.611 1.00 3.24 H new ATOM 0 HG22 VAL A 63 -4.776 9.826 0.833 1.00 3.24 H new ATOM 0 HG23 VAL A 63 -4.540 11.048 -0.439 1.00 3.24 H new ATOM 952 N ASP A 64 -6.145 8.350 -3.814 1.00 32.41 N ATOM 953 CA ASP A 64 -6.858 7.644 -4.882 1.00 51.02 C ATOM 954 C ASP A 64 -6.069 6.414 -5.361 1.00 62.04 C ATOM 955 O ASP A 64 -6.582 5.296 -5.361 1.00 62.12 O ATOM 956 CB ASP A 64 -7.115 8.594 -6.057 1.00 60.20 C ATOM 957 CG ASP A 64 -7.839 7.907 -7.199 1.00 3.13 C ATOM 958 OD1 ASP A 64 -9.082 7.833 -7.158 1.00 31.02 O ATOM 959 OD2 ASP A 64 -7.164 7.430 -8.137 1.00 72.51 O ATOM 0 H ASP A 64 -5.883 9.308 -4.048 1.00 32.41 H new ATOM 0 HA ASP A 64 -7.811 7.298 -4.482 1.00 51.02 H new ATOM 0 HB2 ASP A 64 -7.705 9.444 -5.713 1.00 60.20 H new ATOM 0 HB3 ASP A 64 -6.165 8.990 -6.417 1.00 60.20 H new ATOM 964 N THR A 65 -4.814 6.631 -5.748 1.00 3.40 N ATOM 965 CA THR A 65 -3.937 5.541 -6.198 1.00 44.34 C ATOM 966 C THR A 65 -3.768 4.481 -5.098 1.00 65.23 C ATOM 967 O THR A 65 -3.636 3.292 -5.376 1.00 11.23 O ATOM 968 CB THR A 65 -2.546 6.078 -6.619 1.00 24.15 C ATOM 969 OG1 THR A 65 -2.702 7.138 -7.580 1.00 61.32 O ATOM 970 CG2 THR A 65 -1.681 4.973 -7.222 1.00 51.33 C ATOM 0 H THR A 65 -4.376 7.552 -5.761 1.00 3.40 H new ATOM 0 HA THR A 65 -4.412 5.081 -7.064 1.00 44.34 H new ATOM 0 HB THR A 65 -2.049 6.455 -5.725 1.00 24.15 H new ATOM 0 HG1 THR A 65 -2.971 7.960 -7.119 1.00 61.32 H new ATOM 0 HG21 THR A 65 -0.712 5.384 -7.507 1.00 51.33 H new ATOM 0 HG22 THR A 65 -1.538 4.181 -6.487 1.00 51.33 H new ATOM 0 HG23 THR A 65 -2.175 4.565 -8.104 1.00 51.33 H new ATOM 978 N GLY A 66 -3.784 4.922 -3.843 1.00 42.43 N ATOM 979 CA GLY A 66 -3.758 3.992 -2.722 1.00 15.50 C ATOM 980 C GLY A 66 -4.990 3.085 -2.681 1.00 34.21 C ATOM 981 O GLY A 66 -4.898 1.923 -2.288 1.00 33.23 O ATOM 0 H GLY A 66 -3.815 5.907 -3.580 1.00 42.43 H new ATOM 0 HA2 GLY A 66 -2.860 3.377 -2.786 1.00 15.50 H new ATOM 0 HA3 GLY A 66 -3.694 4.554 -1.790 1.00 15.50 H new ATOM 985 N HIS A 67 -6.144 3.609 -3.107 1.00 13.31 N ATOM 986 CA HIS A 67 -7.394 2.833 -3.112 1.00 62.11 C ATOM 987 C HIS A 67 -7.268 1.542 -3.941 1.00 44.13 C ATOM 988 O HIS A 67 -7.694 0.470 -3.496 1.00 2.13 O ATOM 989 CB HIS A 67 -8.563 3.667 -3.652 1.00 73.41 C ATOM 990 CG HIS A 67 -8.928 4.844 -2.799 1.00 71.20 C ATOM 991 ND1 HIS A 67 -9.401 6.027 -3.320 1.00 52.21 N ATOM 992 CD2 HIS A 67 -8.921 5.008 -1.454 1.00 1.20 C ATOM 993 CE1 HIS A 67 -9.665 6.865 -2.340 1.00 75.52 C ATOM 994 NE2 HIS A 67 -9.387 6.274 -1.197 1.00 31.43 N ATOM 0 H HIS A 67 -6.241 4.564 -3.452 1.00 13.31 H new ATOM 0 HA HIS A 67 -7.592 2.561 -2.075 1.00 62.11 H new ATOM 0 HB2 HIS A 67 -8.310 4.022 -4.651 1.00 73.41 H new ATOM 0 HB3 HIS A 67 -9.436 3.023 -3.755 1.00 73.41 H new ATOM 0 HD2 HIS A 67 -8.608 4.279 -0.721 1.00 1.20 H new ATOM 0 HE1 HIS A 67 -10.046 7.869 -2.454 1.00 75.52 H new ATOM 0 HE2 HIS A 67 -9.499 6.689 -0.272 1.00 31.43 H new ATOM 1003 N GLN A 68 -6.693 1.636 -5.145 1.00 72.10 N ATOM 1004 CA GLN A 68 -6.526 0.448 -5.990 1.00 20.51 C ATOM 1005 C GLN A 68 -5.572 -0.564 -5.334 1.00 20.22 C ATOM 1006 O GLN A 68 -5.732 -1.772 -5.506 1.00 23.31 O ATOM 1007 CB GLN A 68 -6.042 0.807 -7.409 1.00 60.45 C ATOM 1008 CG GLN A 68 -4.649 1.428 -7.476 1.00 73.13 C ATOM 1009 CD GLN A 68 -4.169 1.673 -8.899 1.00 42.43 C ATOM 1010 OE1 GLN A 68 -3.433 2.616 -9.168 1.00 3.15 O ATOM 1011 NE2 GLN A 68 -4.557 0.814 -9.821 1.00 32.42 N ATOM 0 H GLN A 68 -6.342 2.504 -5.550 1.00 72.10 H new ATOM 0 HA GLN A 68 -7.509 -0.012 -6.088 1.00 20.51 H new ATOM 0 HB2 GLN A 68 -6.051 -0.096 -8.019 1.00 60.45 H new ATOM 0 HB3 GLN A 68 -6.755 1.500 -7.855 1.00 60.45 H new ATOM 0 HG2 GLN A 68 -4.653 2.373 -6.933 1.00 73.13 H new ATOM 0 HG3 GLN A 68 -3.941 0.772 -6.969 1.00 73.13 H new ATOM 0 HE21 GLN A 68 -5.170 0.038 -9.570 1.00 32.42 H new ATOM 0 HE22 GLN A 68 -4.244 0.925 -10.786 1.00 32.42 H new ATOM 1020 N LEU A 69 -4.596 -0.069 -4.568 1.00 3.24 N ATOM 1021 CA LEU A 69 -3.698 -0.943 -3.797 1.00 12.33 C ATOM 1022 C LEU A 69 -4.482 -1.769 -2.765 1.00 22.53 C ATOM 1023 O LEU A 69 -4.249 -2.967 -2.616 1.00 25.34 O ATOM 1024 CB LEU A 69 -2.589 -0.124 -3.107 1.00 71.31 C ATOM 1025 CG LEU A 69 -1.315 0.100 -3.942 1.00 40.21 C ATOM 1026 CD1 LEU A 69 -0.639 -1.231 -4.270 1.00 13.12 C ATOM 1027 CD2 LEU A 69 -1.629 0.869 -5.219 1.00 12.35 C ATOM 0 H LEU A 69 -4.405 0.928 -4.463 1.00 3.24 H new ATOM 0 HA LEU A 69 -3.227 -1.634 -4.496 1.00 12.33 H new ATOM 0 HB2 LEU A 69 -2.997 0.848 -2.831 1.00 71.31 H new ATOM 0 HB3 LEU A 69 -2.312 -0.628 -2.181 1.00 71.31 H new ATOM 0 HG LEU A 69 -0.625 0.697 -3.346 1.00 40.21 H new ATOM 0 HD11 LEU A 69 0.259 -1.047 -4.860 1.00 13.12 H new ATOM 0 HD12 LEU A 69 -0.367 -1.739 -3.345 1.00 13.12 H new ATOM 0 HD13 LEU A 69 -1.326 -1.857 -4.839 1.00 13.12 H new ATOM 0 HD21 LEU A 69 -0.713 1.014 -5.791 1.00 12.35 H new ATOM 0 HD22 LEU A 69 -2.344 0.305 -5.817 1.00 12.35 H new ATOM 0 HD23 LEU A 69 -2.055 1.839 -4.964 1.00 12.35 H new ATOM 1039 N LEU A 70 -5.414 -1.122 -2.061 1.00 10.13 N ATOM 1040 CA LEU A 70 -6.329 -1.829 -1.149 1.00 23.32 C ATOM 1041 C LEU A 70 -7.105 -2.927 -1.899 1.00 65.11 C ATOM 1042 O LEU A 70 -7.317 -4.026 -1.381 1.00 4.00 O ATOM 1043 CB LEU A 70 -7.319 -0.840 -0.493 1.00 23.11 C ATOM 1044 CG LEU A 70 -6.803 -0.082 0.748 1.00 74.32 C ATOM 1045 CD1 LEU A 70 -6.557 -1.042 1.904 1.00 3.33 C ATOM 1046 CD2 LEU A 70 -5.535 0.705 0.434 1.00 53.02 C ATOM 0 H LEU A 70 -5.558 -0.113 -2.102 1.00 10.13 H new ATOM 0 HA LEU A 70 -5.729 -2.295 -0.367 1.00 23.32 H new ATOM 0 HB2 LEU A 70 -7.618 -0.107 -1.242 1.00 23.11 H new ATOM 0 HB3 LEU A 70 -8.216 -1.391 -0.210 1.00 23.11 H new ATOM 0 HG LEU A 70 -7.575 0.628 1.042 1.00 74.32 H new ATOM 0 HD11 LEU A 70 -6.194 -0.486 2.768 1.00 3.33 H new ATOM 0 HD12 LEU A 70 -7.488 -1.546 2.163 1.00 3.33 H new ATOM 0 HD13 LEU A 70 -5.813 -1.782 1.610 1.00 3.33 H new ATOM 0 HD21 LEU A 70 -5.199 1.227 1.330 1.00 53.02 H new ATOM 0 HD22 LEU A 70 -4.756 0.021 0.099 1.00 53.02 H new ATOM 0 HD23 LEU A 70 -5.743 1.431 -0.352 1.00 53.02 H new ATOM 1058 N ASP A 71 -7.507 -2.618 -3.131 1.00 0.00 N ATOM 1059 CA ASP A 71 -8.225 -3.569 -3.985 1.00 0.04 C ATOM 1060 C ASP A 71 -7.342 -4.788 -4.331 1.00 71.30 C ATOM 1061 O ASP A 71 -7.743 -5.939 -4.123 1.00 12.14 O ATOM 1062 CB ASP A 71 -8.682 -2.854 -5.264 1.00 2.12 C ATOM 1063 CG ASP A 71 -9.546 -3.728 -6.154 1.00 74.15 C ATOM 1064 OD1 ASP A 71 -10.779 -3.752 -5.958 1.00 31.33 O ATOM 1065 OD2 ASP A 71 -8.998 -4.395 -7.054 1.00 63.44 O ATOM 0 H ASP A 71 -7.347 -1.709 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.096 -3.940 -3.444 1.00 0.04 H new ATOM 0 HB2 ASP A 71 -9.239 -1.957 -4.993 1.00 2.12 H new ATOM 0 HB3 ASP A 71 -7.806 -2.528 -5.824 1.00 2.12 H new ATOM 1070 N TYR A 72 -6.138 -4.528 -4.856 1.00 42.05 N ATOM 1071 CA TYR A 72 -5.182 -5.598 -5.170 1.00 11.44 C ATOM 1072 C TYR A 72 -4.865 -6.436 -3.926 1.00 34.03 C ATOM 1073 O TYR A 72 -4.812 -7.659 -3.987 1.00 43.43 O ATOM 1074 CB TYR A 72 -3.871 -5.021 -5.730 1.00 11.10 C ATOM 1075 CG TYR A 72 -4.027 -4.239 -7.020 1.00 21.35 C ATOM 1076 CD1 TYR A 72 -4.567 -4.829 -8.158 1.00 42.52 C ATOM 1077 CD2 TYR A 72 -3.629 -2.912 -7.098 1.00 74.41 C ATOM 1078 CE1 TYR A 72 -4.706 -4.113 -9.334 1.00 42.44 C ATOM 1079 CE2 TYR A 72 -3.765 -2.192 -8.265 1.00 30.42 C ATOM 1080 CZ TYR A 72 -4.302 -2.795 -9.380 1.00 20.41 C ATOM 1081 OH TYR A 72 -4.431 -2.073 -10.546 1.00 61.12 O ATOM 0 H TYR A 72 -5.803 -3.589 -5.072 1.00 42.05 H new ATOM 0 HA TYR A 72 -5.648 -6.233 -5.924 1.00 11.44 H new ATOM 0 HB2 TYR A 72 -3.425 -4.371 -4.978 1.00 11.10 H new ATOM 0 HB3 TYR A 72 -3.172 -5.840 -5.899 1.00 11.10 H new ATOM 0 HD1 TYR A 72 -4.883 -5.861 -8.123 1.00 42.52 H new ATOM 0 HD2 TYR A 72 -3.204 -2.434 -6.227 1.00 74.41 H new ATOM 0 HE1 TYR A 72 -5.128 -4.583 -10.210 1.00 42.44 H new ATOM 0 HE2 TYR A 72 -3.452 -1.159 -8.305 1.00 30.42 H new ATOM 0 HH TYR A 72 -5.357 -1.767 -10.640 1.00 61.12 H new ATOM 1091 N CYS A 73 -4.657 -5.760 -2.799 1.00 75.45 N ATOM 1092 CA CYS A 73 -4.342 -6.432 -1.533 1.00 21.44 C ATOM 1093 C CYS A 73 -5.486 -7.346 -1.073 1.00 65.31 C ATOM 1094 O CYS A 73 -5.257 -8.491 -0.683 1.00 44.55 O ATOM 1095 CB CYS A 73 -4.031 -5.400 -0.443 1.00 23.14 C ATOM 1096 SG CYS A 73 -2.521 -4.448 -0.732 1.00 22.00 S ATOM 0 H CYS A 73 -4.700 -4.743 -2.733 1.00 75.45 H new ATOM 0 HA CYS A 73 -3.463 -7.054 -1.705 1.00 21.44 H new ATOM 0 HB2 CYS A 73 -4.871 -4.711 -0.361 1.00 23.14 H new ATOM 0 HB3 CYS A 73 -3.945 -5.914 0.514 1.00 23.14 H new ATOM 0 HG CYS A 73 -2.759 -3.509 -1.599 1.00 22.00 H new ATOM 1102 N SER A 74 -6.716 -6.837 -1.124 1.00 31.11 N ATOM 1103 CA SER A 74 -7.896 -7.612 -0.708 1.00 20.31 C ATOM 1104 C SER A 74 -8.054 -8.897 -1.535 1.00 61.24 C ATOM 1105 O SER A 74 -8.537 -9.914 -1.036 1.00 32.41 O ATOM 1106 CB SER A 74 -9.170 -6.760 -0.827 1.00 71.34 C ATOM 1107 OG SER A 74 -10.318 -7.471 -0.377 1.00 35.31 O ATOM 0 H SER A 74 -6.927 -5.893 -1.448 1.00 31.11 H new ATOM 0 HA SER A 74 -7.745 -7.895 0.334 1.00 20.31 H new ATOM 0 HB2 SER A 74 -9.054 -5.847 -0.243 1.00 71.34 H new ATOM 0 HB3 SER A 74 -9.311 -6.458 -1.865 1.00 71.34 H new ATOM 0 HG SER A 74 -11.111 -6.901 -0.464 1.00 35.31 H new ATOM 1113 N GLY A 75 -7.643 -8.845 -2.802 1.00 40.34 N ATOM 1114 CA GLY A 75 -7.730 -10.017 -3.669 1.00 3.33 C ATOM 1115 C GLY A 75 -6.509 -10.935 -3.577 1.00 12.21 C ATOM 1116 O GLY A 75 -6.642 -12.142 -3.394 1.00 55.52 O ATOM 0 H GLY A 75 -7.251 -8.014 -3.246 1.00 40.34 H new ATOM 0 HA2 GLY A 75 -8.623 -10.586 -3.410 1.00 3.33 H new ATOM 0 HA3 GLY A 75 -7.850 -9.688 -4.701 1.00 3.33 H new ATOM 1120 N TYR A 76 -5.316 -10.353 -3.694 1.00 14.24 N ATOM 1121 CA TYR A 76 -4.058 -11.118 -3.702 1.00 74.25 C ATOM 1122 C TYR A 76 -3.882 -11.964 -2.426 1.00 21.10 C ATOM 1123 O TYR A 76 -3.399 -13.096 -2.485 1.00 4.33 O ATOM 1124 CB TYR A 76 -2.869 -10.158 -3.867 1.00 2.24 C ATOM 1125 CG TYR A 76 -1.522 -10.845 -4.014 1.00 2.41 C ATOM 1126 CD1 TYR A 76 -1.188 -11.521 -5.184 1.00 11.41 C ATOM 1127 CD2 TYR A 76 -0.582 -10.813 -2.986 1.00 42.45 C ATOM 1128 CE1 TYR A 76 0.040 -12.139 -5.326 1.00 34.24 C ATOM 1129 CE2 TYR A 76 0.646 -11.429 -3.125 1.00 14.43 C ATOM 1130 CZ TYR A 76 0.950 -12.091 -4.293 1.00 62.14 C ATOM 1131 OH TYR A 76 2.173 -12.704 -4.431 1.00 23.34 O ATOM 0 H TYR A 76 -5.188 -9.345 -3.786 1.00 14.24 H new ATOM 0 HA TYR A 76 -4.097 -11.809 -4.544 1.00 74.25 H new ATOM 0 HB2 TYR A 76 -3.042 -9.533 -4.743 1.00 2.24 H new ATOM 0 HB3 TYR A 76 -2.832 -9.494 -3.004 1.00 2.24 H new ATOM 0 HD1 TYR A 76 -1.900 -11.563 -5.995 1.00 11.41 H new ATOM 0 HD2 TYR A 76 -0.818 -10.298 -2.066 1.00 42.45 H new ATOM 0 HE1 TYR A 76 0.285 -12.657 -6.242 1.00 34.24 H new ATOM 0 HE2 TYR A 76 1.365 -11.392 -2.320 1.00 14.43 H new ATOM 0 HH TYR A 76 2.697 -12.576 -3.613 1.00 23.34 H new ATOM 1141 N VAL A 77 -4.281 -11.415 -1.274 1.00 61.13 N ATOM 1142 CA VAL A 77 -4.149 -12.126 0.006 1.00 61.23 C ATOM 1143 C VAL A 77 -4.947 -13.444 0.013 1.00 73.02 C ATOM 1144 O VAL A 77 -4.590 -14.405 0.701 1.00 21.21 O ATOM 1145 CB VAL A 77 -4.595 -11.236 1.193 1.00 50.34 C ATOM 1146 CG1 VAL A 77 -6.109 -11.020 1.187 1.00 30.20 C ATOM 1147 CG2 VAL A 77 -4.122 -11.831 2.516 1.00 54.02 C ATOM 0 H VAL A 77 -4.696 -10.486 -1.199 1.00 61.13 H new ATOM 0 HA VAL A 77 -3.092 -12.365 0.124 1.00 61.23 H new ATOM 0 HB VAL A 77 -4.129 -10.257 1.078 1.00 50.34 H new ATOM 0 HG11 VAL A 77 -6.390 -10.392 2.032 1.00 30.20 H new ATOM 0 HG12 VAL A 77 -6.403 -10.532 0.258 1.00 30.20 H new ATOM 0 HG13 VAL A 77 -6.614 -11.983 1.267 1.00 30.20 H new ATOM 0 HG21 VAL A 77 -4.445 -11.192 3.338 1.00 54.02 H new ATOM 0 HG22 VAL A 77 -4.549 -12.826 2.641 1.00 54.02 H new ATOM 0 HG23 VAL A 77 -3.034 -11.900 2.516 1.00 54.02 H new ATOM 1157 N ASP A 78 -6.022 -13.485 -0.772 1.00 0.31 N ATOM 1158 CA ASP A 78 -6.828 -14.698 -0.931 1.00 15.02 C ATOM 1159 C ASP A 78 -6.005 -15.808 -1.609 1.00 71.34 C ATOM 1160 O ASP A 78 -6.160 -16.996 -1.309 1.00 73.24 O ATOM 1161 CB ASP A 78 -8.079 -14.368 -1.759 1.00 61.12 C ATOM 1162 CG ASP A 78 -9.047 -15.533 -1.882 1.00 24.21 C ATOM 1163 OD1 ASP A 78 -9.886 -15.714 -0.974 1.00 45.04 O ATOM 1164 OD2 ASP A 78 -8.996 -16.259 -2.894 1.00 13.44 O ATOM 0 H ASP A 78 -6.358 -12.687 -1.312 1.00 0.31 H new ATOM 0 HA ASP A 78 -7.133 -15.061 0.051 1.00 15.02 H new ATOM 0 HB2 ASP A 78 -8.595 -13.523 -1.303 1.00 61.12 H new ATOM 0 HB3 ASP A 78 -7.773 -14.053 -2.757 1.00 61.12 H new ATOM 1169 N CYS A 79 -5.101 -15.403 -2.500 1.00 44.41 N ATOM 1170 CA CYS A 79 -4.269 -16.344 -3.264 1.00 2.43 C ATOM 1171 C CYS A 79 -2.958 -16.695 -2.532 1.00 33.43 C ATOM 1172 O CYS A 79 -2.140 -17.455 -3.049 1.00 52.25 O ATOM 1173 CB CYS A 79 -3.950 -15.751 -4.643 1.00 53.22 C ATOM 1174 SG CYS A 79 -5.411 -15.345 -5.633 1.00 33.01 S ATOM 0 H CYS A 79 -4.922 -14.422 -2.715 1.00 44.41 H new ATOM 0 HA CYS A 79 -4.838 -17.267 -3.375 1.00 2.43 H new ATOM 0 HB2 CYS A 79 -3.354 -14.848 -4.509 1.00 53.22 H new ATOM 0 HB3 CYS A 79 -3.335 -16.460 -5.197 1.00 53.22 H new ATOM 0 HG CYS A 79 -5.037 -14.850 -6.775 1.00 33.01 H new ATOM 1180 N ILE A 80 -2.753 -16.135 -1.337 1.00 51.14 N ATOM 1181 CA ILE A 80 -1.557 -16.435 -0.529 1.00 11.35 C ATOM 1182 C ILE A 80 -1.817 -17.599 0.448 1.00 1.43 C ATOM 1183 O ILE A 80 -2.621 -17.467 1.374 1.00 13.12 O ATOM 1184 CB ILE A 80 -1.096 -15.202 0.294 1.00 1.23 C ATOM 1185 CG1 ILE A 80 -0.802 -14.004 -0.626 1.00 5.30 C ATOM 1186 CG2 ILE A 80 0.137 -15.546 1.134 1.00 32.10 C ATOM 1187 CD1 ILE A 80 -0.364 -12.758 0.119 1.00 35.12 C ATOM 0 H ILE A 80 -3.396 -15.472 -0.904 1.00 51.14 H new ATOM 0 HA ILE A 80 -0.774 -16.713 -1.235 1.00 11.35 H new ATOM 0 HB ILE A 80 -1.907 -14.923 0.966 1.00 1.23 H new ATOM 0 HG12 ILE A 80 -0.024 -14.285 -1.336 1.00 5.30 H new ATOM 0 HG13 ILE A 80 -1.696 -13.775 -1.206 1.00 5.30 H new ATOM 0 HG21 ILE A 80 0.445 -14.669 1.704 1.00 32.10 H new ATOM 0 HG22 ILE A 80 -0.105 -16.358 1.820 1.00 32.10 H new ATOM 0 HG23 ILE A 80 0.950 -15.856 0.477 1.00 32.10 H new ATOM 0 HD11 ILE A 80 -0.175 -11.956 -0.594 1.00 35.12 H new ATOM 0 HD12 ILE A 80 -1.150 -12.452 0.810 1.00 35.12 H new ATOM 0 HD13 ILE A 80 0.548 -12.970 0.678 1.00 35.12 H new ATOM 1199 N PRO A 81 -1.163 -18.762 0.250 1.00 40.31 N ATOM 1200 CA PRO A 81 -1.276 -19.899 1.177 1.00 3.11 C ATOM 1201 C PRO A 81 -0.348 -19.786 2.406 1.00 33.00 C ATOM 1202 O PRO A 81 -0.672 -20.288 3.484 1.00 33.54 O ATOM 1203 CB PRO A 81 -0.885 -21.091 0.298 1.00 64.30 C ATOM 1204 CG PRO A 81 0.084 -20.530 -0.693 1.00 31.12 C ATOM 1205 CD PRO A 81 -0.300 -19.083 -0.908 1.00 70.52 C ATOM 0 HA PRO A 81 -2.273 -19.971 1.613 1.00 3.11 H new ATOM 0 HB2 PRO A 81 -0.431 -21.887 0.889 1.00 64.30 H new ATOM 0 HB3 PRO A 81 -1.756 -21.519 -0.198 1.00 64.30 H new ATOM 0 HG2 PRO A 81 1.106 -20.608 -0.321 1.00 31.12 H new ATOM 0 HG3 PRO A 81 0.043 -21.084 -1.631 1.00 31.12 H new ATOM 0 HD2 PRO A 81 0.578 -18.438 -0.941 1.00 70.52 H new ATOM 0 HD3 PRO A 81 -0.831 -18.947 -1.850 1.00 70.52 H new ATOM 1213 N GLN A 82 0.811 -19.134 2.248 1.00 52.42 N ATOM 1214 CA GLN A 82 1.745 -18.936 3.369 1.00 22.22 C ATOM 1215 C GLN A 82 1.188 -17.925 4.385 1.00 5.40 C ATOM 1216 O GLN A 82 1.260 -16.715 4.170 1.00 3.24 O ATOM 1217 CB GLN A 82 3.123 -18.451 2.872 1.00 33.43 C ATOM 1218 CG GLN A 82 3.945 -19.509 2.137 1.00 23.22 C ATOM 1219 CD GLN A 82 3.376 -19.880 0.778 1.00 11.31 C ATOM 1220 OE1 GLN A 82 2.762 -19.063 0.105 1.00 54.43 O ATOM 1221 NE2 GLN A 82 3.577 -21.114 0.364 1.00 23.14 N ATOM 0 H GLN A 82 1.125 -18.736 1.363 1.00 52.42 H new ATOM 0 HA GLN A 82 1.865 -19.903 3.857 1.00 22.22 H new ATOM 0 HB2 GLN A 82 2.975 -17.599 2.208 1.00 33.43 H new ATOM 0 HB3 GLN A 82 3.697 -18.093 3.727 1.00 33.43 H new ATOM 0 HG2 GLN A 82 4.963 -19.142 2.008 1.00 23.22 H new ATOM 0 HG3 GLN A 82 4.005 -20.405 2.754 1.00 23.22 H new ATOM 0 HE21 GLN A 82 4.093 -21.771 0.949 1.00 23.14 H new ATOM 0 HE22 GLN A 82 3.217 -21.413 -0.542 1.00 23.14 H new ATOM 1230 N THR A 83 0.647 -18.425 5.497 1.00 5.22 N ATOM 1231 CA THR A 83 0.033 -17.565 6.518 1.00 33.21 C ATOM 1232 C THR A 83 1.040 -16.587 7.135 1.00 72.23 C ATOM 1233 O THR A 83 0.676 -15.474 7.514 1.00 61.15 O ATOM 1234 CB THR A 83 -0.615 -18.387 7.653 1.00 23.32 C ATOM 1235 OG1 THR A 83 -1.567 -19.308 7.103 1.00 2.23 O ATOM 1236 CG2 THR A 83 -1.313 -17.478 8.662 1.00 73.40 C ATOM 0 H THR A 83 0.620 -19.421 5.716 1.00 5.22 H new ATOM 0 HA THR A 83 -0.739 -16.999 5.996 1.00 33.21 H new ATOM 0 HB THR A 83 0.175 -18.934 8.169 1.00 23.32 H new ATOM 0 HG1 THR A 83 -1.974 -19.829 7.827 1.00 2.23 H new ATOM 0 HG21 THR A 83 -1.760 -18.084 9.450 1.00 73.40 H new ATOM 0 HG22 THR A 83 -0.586 -16.794 9.099 1.00 73.40 H new ATOM 0 HG23 THR A 83 -2.092 -16.906 8.158 1.00 73.40 H new ATOM 1244 N ARG A 84 2.301 -17.004 7.242 1.00 23.04 N ATOM 1245 CA ARG A 84 3.360 -16.125 7.760 1.00 1.54 C ATOM 1246 C ARG A 84 3.365 -14.779 7.015 1.00 50.12 C ATOM 1247 O ARG A 84 3.227 -13.716 7.623 1.00 52.14 O ATOM 1248 CB ARG A 84 4.734 -16.800 7.635 1.00 23.14 C ATOM 1249 CG ARG A 84 4.815 -18.155 8.328 1.00 61.40 C ATOM 1250 CD ARG A 84 6.227 -18.726 8.304 1.00 44.32 C ATOM 1251 NE ARG A 84 7.156 -17.921 9.093 1.00 33.00 N ATOM 1252 CZ ARG A 84 8.346 -17.560 8.690 1.00 25.24 C ATOM 1253 NH1 ARG A 84 8.789 -17.926 7.531 1.00 4.35 N ATOM 1254 NH2 ARG A 84 9.105 -16.845 9.459 1.00 34.02 N ATOM 0 H ARG A 84 2.617 -17.938 6.980 1.00 23.04 H new ATOM 0 HA ARG A 84 3.156 -15.939 8.814 1.00 1.54 H new ATOM 0 HB2 ARG A 84 4.972 -16.927 6.579 1.00 23.14 H new ATOM 0 HB3 ARG A 84 5.493 -16.140 8.056 1.00 23.14 H new ATOM 0 HG2 ARG A 84 4.483 -18.054 9.361 1.00 61.40 H new ATOM 0 HG3 ARG A 84 4.134 -18.853 7.841 1.00 61.40 H new ATOM 0 HD2 ARG A 84 6.212 -19.745 8.690 1.00 44.32 H new ATOM 0 HD3 ARG A 84 6.579 -18.780 7.274 1.00 44.32 H new ATOM 0 HE ARG A 84 6.856 -17.620 10.020 1.00 33.00 H new ATOM 0 HH11 ARG A 84 8.208 -18.502 6.922 1.00 4.35 H new ATOM 0 HH12 ARG A 84 9.719 -17.639 7.227 1.00 4.35 H new ATOM 0 HH21 ARG A 84 8.774 -16.562 10.382 1.00 34.02 H new ATOM 0 HH22 ARG A 84 10.033 -16.565 9.142 1.00 34.02 H new ATOM 1268 N ASN A 85 3.502 -14.842 5.692 1.00 62.54 N ATOM 1269 CA ASN A 85 3.483 -13.643 4.848 1.00 41.20 C ATOM 1270 C ASN A 85 2.059 -13.080 4.694 1.00 24.10 C ATOM 1271 O ASN A 85 1.874 -11.872 4.579 1.00 34.12 O ATOM 1272 CB ASN A 85 4.081 -13.965 3.475 1.00 64.21 C ATOM 1273 CG ASN A 85 5.468 -14.574 3.587 1.00 35.40 C ATOM 1274 OD1 ASN A 85 6.198 -14.318 4.541 1.00 61.22 O ATOM 1275 ND2 ASN A 85 5.847 -15.373 2.612 1.00 24.40 N ATOM 0 H ASN A 85 3.628 -15.713 5.177 1.00 62.54 H new ATOM 0 HA ASN A 85 4.087 -12.877 5.335 1.00 41.20 H new ATOM 0 HB2 ASN A 85 3.424 -14.655 2.946 1.00 64.21 H new ATOM 0 HB3 ASN A 85 4.132 -13.054 2.879 1.00 64.21 H new ATOM 0 HD21 ASN A 85 6.773 -15.801 2.634 1.00 24.40 H new ATOM 0 HD22 ASN A 85 5.215 -15.564 1.834 1.00 24.40 H new ATOM 1282 N LYS A 86 1.059 -13.963 4.701 1.00 62.21 N ATOM 1283 CA LYS A 86 -0.349 -13.558 4.565 1.00 52.32 C ATOM 1284 C LYS A 86 -0.777 -12.606 5.696 1.00 54.21 C ATOM 1285 O LYS A 86 -1.366 -11.552 5.444 1.00 51.45 O ATOM 1286 CB LYS A 86 -1.252 -14.803 4.552 1.00 73.34 C ATOM 1287 CG LYS A 86 -2.730 -14.510 4.303 1.00 54.25 C ATOM 1288 CD LYS A 86 -3.571 -15.786 4.296 1.00 13.42 C ATOM 1289 CE LYS A 86 -3.598 -16.459 5.663 1.00 74.32 C ATOM 1290 NZ LYS A 86 -4.343 -17.744 5.634 1.00 75.13 N ATOM 0 H LYS A 86 1.195 -14.969 4.800 1.00 62.21 H new ATOM 0 HA LYS A 86 -0.455 -13.021 3.622 1.00 52.32 H new ATOM 0 HB2 LYS A 86 -0.895 -15.487 3.782 1.00 73.34 H new ATOM 0 HB3 LYS A 86 -1.153 -15.319 5.507 1.00 73.34 H new ATOM 0 HG2 LYS A 86 -3.101 -13.835 5.074 1.00 54.25 H new ATOM 0 HG3 LYS A 86 -2.842 -13.996 3.348 1.00 54.25 H new ATOM 0 HD2 LYS A 86 -4.589 -15.547 3.989 1.00 13.42 H new ATOM 0 HD3 LYS A 86 -3.170 -16.481 3.558 1.00 13.42 H new ATOM 0 HE2 LYS A 86 -2.577 -16.639 5.999 1.00 74.32 H new ATOM 0 HE3 LYS A 86 -4.059 -15.789 6.389 1.00 74.32 H new ATOM 0 HZ1 LYS A 86 -4.338 -18.170 6.583 1.00 75.13 H new ATOM 0 HZ2 LYS A 86 -5.325 -17.570 5.338 1.00 75.13 H new ATOM 0 HZ3 LYS A 86 -3.889 -18.394 4.961 1.00 75.13 H new ATOM 1304 N PHE A 87 -0.474 -12.981 6.938 1.00 41.01 N ATOM 1305 CA PHE A 87 -0.809 -12.154 8.101 1.00 62.24 C ATOM 1306 C PHE A 87 -0.054 -10.819 8.062 1.00 41.14 C ATOM 1307 O PHE A 87 -0.653 -9.752 8.215 1.00 53.32 O ATOM 1308 CB PHE A 87 -0.487 -12.907 9.400 1.00 13.11 C ATOM 1309 CG PHE A 87 -0.850 -12.140 10.647 1.00 51.41 C ATOM 1310 CD1 PHE A 87 -2.166 -12.089 11.083 1.00 60.54 C ATOM 1311 CD2 PHE A 87 0.119 -11.465 11.376 1.00 20.03 C ATOM 1312 CE1 PHE A 87 -2.507 -11.383 12.221 1.00 3.11 C ATOM 1313 CE2 PHE A 87 -0.218 -10.754 12.514 1.00 12.34 C ATOM 1314 CZ PHE A 87 -1.533 -10.714 12.936 1.00 61.01 C ATOM 0 H PHE A 87 0.003 -13.853 7.167 1.00 41.01 H new ATOM 0 HA PHE A 87 -1.878 -11.942 8.070 1.00 62.24 H new ATOM 0 HB2 PHE A 87 -1.019 -13.858 9.400 1.00 13.11 H new ATOM 0 HB3 PHE A 87 0.578 -13.138 9.422 1.00 13.11 H new ATOM 0 HD1 PHE A 87 -2.933 -12.607 10.527 1.00 60.54 H new ATOM 0 HD2 PHE A 87 1.149 -11.495 11.051 1.00 20.03 H new ATOM 0 HE1 PHE A 87 -3.535 -11.354 12.551 1.00 3.11 H new ATOM 0 HE2 PHE A 87 0.545 -10.231 13.071 1.00 12.34 H new ATOM 0 HZ PHE A 87 -1.799 -10.160 13.824 1.00 61.01 H new ATOM 1324 N ALA A 88 1.263 -10.887 7.853 1.00 3.43 N ATOM 1325 CA ALA A 88 2.090 -9.681 7.713 1.00 1.04 C ATOM 1326 C ALA A 88 1.548 -8.765 6.605 1.00 51.11 C ATOM 1327 O ALA A 88 1.520 -7.545 6.746 1.00 32.15 O ATOM 1328 CB ALA A 88 3.536 -10.065 7.421 1.00 61.40 C ATOM 0 H ALA A 88 1.781 -11.762 7.777 1.00 3.43 H new ATOM 0 HA ALA A 88 2.052 -9.132 8.654 1.00 1.04 H new ATOM 0 HB1 ALA A 88 4.139 -9.162 7.319 1.00 61.40 H new ATOM 0 HB2 ALA A 88 3.924 -10.670 8.240 1.00 61.40 H new ATOM 0 HB3 ALA A 88 3.580 -10.637 6.494 1.00 61.40 H new ATOM 1334 N PHE A 89 1.112 -9.377 5.509 1.00 64.43 N ATOM 1335 CA PHE A 89 0.499 -8.649 4.397 1.00 50.40 C ATOM 1336 C PHE A 89 -0.787 -7.935 4.851 1.00 51.11 C ATOM 1337 O PHE A 89 -1.009 -6.767 4.535 1.00 51.04 O ATOM 1338 CB PHE A 89 0.191 -9.629 3.253 1.00 40.10 C ATOM 1339 CG PHE A 89 -0.311 -8.978 1.990 1.00 53.11 C ATOM 1340 CD1 PHE A 89 0.577 -8.388 1.102 1.00 53.34 C ATOM 1341 CD2 PHE A 89 -1.665 -8.957 1.687 1.00 21.12 C ATOM 1342 CE1 PHE A 89 0.125 -7.792 -0.059 1.00 62.30 C ATOM 1343 CE2 PHE A 89 -2.120 -8.365 0.527 1.00 14.14 C ATOM 1344 CZ PHE A 89 -1.224 -7.779 -0.346 1.00 11.33 C ATOM 0 H PHE A 89 1.172 -10.385 5.364 1.00 64.43 H new ATOM 0 HA PHE A 89 1.197 -7.890 4.045 1.00 50.40 H new ATOM 0 HB2 PHE A 89 1.095 -10.193 3.022 1.00 40.10 H new ATOM 0 HB3 PHE A 89 -0.553 -10.347 3.597 1.00 40.10 H new ATOM 0 HD1 PHE A 89 1.634 -8.395 1.321 1.00 53.34 H new ATOM 0 HD2 PHE A 89 -2.371 -9.410 2.367 1.00 21.12 H new ATOM 0 HE1 PHE A 89 0.827 -7.337 -0.742 1.00 62.30 H new ATOM 0 HE2 PHE A 89 -3.176 -8.360 0.301 1.00 14.14 H new ATOM 0 HZ PHE A 89 -1.579 -7.311 -1.252 1.00 11.33 H new ATOM 1354 N ARG A 90 -1.628 -8.648 5.601 1.00 52.01 N ATOM 1355 CA ARG A 90 -2.886 -8.090 6.117 1.00 65.20 C ATOM 1356 C ARG A 90 -2.643 -6.907 7.067 1.00 44.01 C ATOM 1357 O ARG A 90 -3.299 -5.866 6.956 1.00 4.51 O ATOM 1358 CB ARG A 90 -3.695 -9.179 6.837 1.00 53.04 C ATOM 1359 CG ARG A 90 -4.247 -10.267 5.914 1.00 71.12 C ATOM 1360 CD ARG A 90 -5.509 -9.819 5.169 1.00 14.32 C ATOM 1361 NE ARG A 90 -5.269 -8.731 4.214 1.00 71.34 N ATOM 1362 CZ ARG A 90 -6.222 -8.038 3.639 1.00 63.51 C ATOM 1363 NH1 ARG A 90 -7.465 -8.339 3.833 1.00 2.23 N ATOM 1364 NH2 ARG A 90 -5.932 -7.059 2.844 1.00 54.02 N ATOM 0 H ARG A 90 -1.463 -9.619 5.868 1.00 52.01 H new ATOM 0 HA ARG A 90 -3.452 -7.720 5.262 1.00 65.20 H new ATOM 0 HB2 ARG A 90 -3.062 -9.646 7.592 1.00 53.04 H new ATOM 0 HB3 ARG A 90 -4.526 -8.710 7.364 1.00 53.04 H new ATOM 0 HG2 ARG A 90 -3.482 -10.548 5.190 1.00 71.12 H new ATOM 0 HG3 ARG A 90 -4.472 -11.157 6.501 1.00 71.12 H new ATOM 0 HD2 ARG A 90 -5.930 -10.672 4.637 1.00 14.32 H new ATOM 0 HD3 ARG A 90 -6.255 -9.496 5.895 1.00 14.32 H new ATOM 0 HE ARG A 90 -4.303 -8.500 3.984 1.00 71.34 H new ATOM 0 HH11 ARG A 90 -7.712 -9.122 4.438 1.00 2.23 H new ATOM 0 HH12 ARG A 90 -8.198 -7.793 3.381 1.00 2.23 H new ATOM 0 HH21 ARG A 90 -4.957 -6.822 2.661 1.00 54.02 H new ATOM 0 HH22 ARG A 90 -6.679 -6.524 2.400 1.00 54.02 H new ATOM 1378 N GLU A 91 -1.706 -7.063 7.999 1.00 25.25 N ATOM 1379 CA GLU A 91 -1.405 -5.992 8.950 1.00 40.14 C ATOM 1380 C GLU A 91 -0.719 -4.811 8.240 1.00 45.12 C ATOM 1381 O GLU A 91 -0.979 -3.652 8.563 1.00 73.23 O ATOM 1382 CB GLU A 91 -0.565 -6.530 10.133 1.00 20.41 C ATOM 1383 CG GLU A 91 0.900 -6.843 9.819 1.00 51.15 C ATOM 1384 CD GLU A 91 1.838 -5.686 10.142 1.00 53.53 C ATOM 1385 OE1 GLU A 91 2.039 -5.398 11.340 1.00 54.25 O ATOM 1386 OE2 GLU A 91 2.368 -5.051 9.208 1.00 74.42 O ATOM 0 H GLU A 91 -1.148 -7.908 8.117 1.00 25.25 H new ATOM 0 HA GLU A 91 -2.341 -5.619 9.365 1.00 40.14 H new ATOM 0 HB2 GLU A 91 -0.596 -5.797 10.939 1.00 20.41 H new ATOM 0 HB3 GLU A 91 -1.039 -7.437 10.508 1.00 20.41 H new ATOM 0 HG2 GLU A 91 1.208 -7.722 10.385 1.00 51.15 H new ATOM 0 HG3 GLU A 91 0.994 -7.096 8.763 1.00 51.15 H new ATOM 1393 N ALA A 92 0.126 -5.110 7.246 1.00 14.24 N ATOM 1394 CA ALA A 92 0.758 -4.072 6.417 1.00 0.33 C ATOM 1395 C ALA A 92 -0.296 -3.232 5.679 1.00 74.01 C ATOM 1396 O ALA A 92 -0.190 -2.006 5.602 1.00 51.53 O ATOM 1397 CB ALA A 92 1.731 -4.705 5.425 1.00 74.23 C ATOM 0 H ALA A 92 0.389 -6.063 6.995 1.00 14.24 H new ATOM 0 HA ALA A 92 1.314 -3.405 7.076 1.00 0.33 H new ATOM 0 HB1 ALA A 92 2.191 -3.925 4.818 1.00 74.23 H new ATOM 0 HB2 ALA A 92 2.505 -5.245 5.969 1.00 74.23 H new ATOM 0 HB3 ALA A 92 1.192 -5.397 4.778 1.00 74.23 H new ATOM 1403 N VAL A 93 -1.317 -3.905 5.142 1.00 45.34 N ATOM 1404 CA VAL A 93 -2.457 -3.222 4.516 1.00 53.15 C ATOM 1405 C VAL A 93 -3.113 -2.235 5.495 1.00 4.34 C ATOM 1406 O VAL A 93 -3.495 -1.123 5.114 1.00 54.00 O ATOM 1407 CB VAL A 93 -3.512 -4.244 4.010 1.00 74.21 C ATOM 1408 CG1 VAL A 93 -4.787 -3.546 3.538 1.00 53.04 C ATOM 1409 CG2 VAL A 93 -2.929 -5.100 2.889 1.00 71.43 C ATOM 0 H VAL A 93 -1.379 -4.923 5.127 1.00 45.34 H new ATOM 0 HA VAL A 93 -2.075 -2.665 3.661 1.00 53.15 H new ATOM 0 HB VAL A 93 -3.777 -4.890 4.847 1.00 74.21 H new ATOM 0 HG11 VAL A 93 -5.503 -4.291 3.191 1.00 53.04 H new ATOM 0 HG12 VAL A 93 -5.221 -2.983 4.365 1.00 53.04 H new ATOM 0 HG13 VAL A 93 -4.548 -2.865 2.721 1.00 53.04 H new ATOM 0 HG21 VAL A 93 -3.681 -5.811 2.546 1.00 71.43 H new ATOM 0 HG22 VAL A 93 -2.630 -4.459 2.060 1.00 71.43 H new ATOM 0 HG23 VAL A 93 -2.059 -5.642 3.260 1.00 71.43 H new ATOM 1419 N SER A 94 -3.225 -2.640 6.761 1.00 12.33 N ATOM 1420 CA SER A 94 -3.761 -1.759 7.811 1.00 3.54 C ATOM 1421 C SER A 94 -2.947 -0.458 7.914 1.00 43.34 C ATOM 1422 O SER A 94 -3.509 0.633 7.993 1.00 25.41 O ATOM 1423 CB SER A 94 -3.784 -2.472 9.173 1.00 25.35 C ATOM 1424 OG SER A 94 -4.345 -1.644 10.184 1.00 42.43 O ATOM 0 H SER A 94 -2.954 -3.568 7.088 1.00 12.33 H new ATOM 0 HA SER A 94 -4.784 -1.507 7.532 1.00 3.54 H new ATOM 0 HB2 SER A 94 -4.361 -3.393 9.093 1.00 25.35 H new ATOM 0 HB3 SER A 94 -2.770 -2.755 9.454 1.00 25.35 H new ATOM 0 HG SER A 94 -4.347 -2.126 11.037 1.00 42.43 H new ATOM 1430 N LYS A 95 -1.618 -0.576 7.889 1.00 72.14 N ATOM 1431 CA LYS A 95 -0.735 0.604 7.931 1.00 1.15 C ATOM 1432 C LYS A 95 -1.016 1.549 6.751 1.00 40.14 C ATOM 1433 O LYS A 95 -1.054 2.772 6.911 1.00 62.40 O ATOM 1434 CB LYS A 95 0.750 0.187 7.914 1.00 61.33 C ATOM 1435 CG LYS A 95 1.300 -0.306 9.256 1.00 13.53 C ATOM 1436 CD LYS A 95 0.522 -1.498 9.801 1.00 61.24 C ATOM 1437 CE LYS A 95 1.187 -2.106 11.030 1.00 63.31 C ATOM 1438 NZ LYS A 95 2.500 -2.725 10.710 1.00 22.33 N ATOM 0 H LYS A 95 -1.126 -1.468 7.840 1.00 72.14 H new ATOM 0 HA LYS A 95 -0.944 1.130 8.862 1.00 1.15 H new ATOM 0 HB2 LYS A 95 0.882 -0.601 7.173 1.00 61.33 H new ATOM 0 HB3 LYS A 95 1.347 1.037 7.584 1.00 61.33 H new ATOM 0 HG2 LYS A 95 2.347 -0.583 9.136 1.00 13.53 H new ATOM 0 HG3 LYS A 95 1.267 0.508 9.980 1.00 13.53 H new ATOM 0 HD2 LYS A 95 -0.490 -1.183 10.056 1.00 61.24 H new ATOM 0 HD3 LYS A 95 0.434 -2.258 9.024 1.00 61.24 H new ATOM 0 HE2 LYS A 95 1.326 -1.333 11.785 1.00 63.31 H new ATOM 0 HE3 LYS A 95 0.528 -2.859 11.462 1.00 63.31 H new ATOM 0 HZ1 LYS A 95 2.724 -3.451 11.421 1.00 22.33 H new ATOM 0 HZ2 LYS A 95 2.456 -3.164 9.768 1.00 22.33 H new ATOM 0 HZ3 LYS A 95 3.239 -1.994 10.717 1.00 22.33 H new ATOM 1452 N LEU A 96 -1.222 0.972 5.566 1.00 43.24 N ATOM 1453 CA LEU A 96 -1.484 1.758 4.356 1.00 72.53 C ATOM 1454 C LEU A 96 -2.813 2.535 4.456 1.00 55.43 C ATOM 1455 O LEU A 96 -2.844 3.754 4.271 1.00 30.43 O ATOM 1456 CB LEU A 96 -1.504 0.837 3.126 1.00 55.23 C ATOM 1457 CG LEU A 96 -1.697 1.543 1.770 1.00 62.51 C ATOM 1458 CD1 LEU A 96 -0.552 2.514 1.491 1.00 72.42 C ATOM 1459 CD2 LEU A 96 -1.829 0.518 0.643 1.00 41.14 C ATOM 0 H LEU A 96 -1.213 -0.037 5.417 1.00 43.24 H new ATOM 0 HA LEU A 96 -0.681 2.487 4.253 1.00 72.53 H new ATOM 0 HB2 LEU A 96 -0.567 0.280 3.096 1.00 55.23 H new ATOM 0 HB3 LEU A 96 -2.304 0.108 3.253 1.00 55.23 H new ATOM 0 HG LEU A 96 -2.621 2.120 1.817 1.00 62.51 H new ATOM 0 HD11 LEU A 96 -0.713 2.999 0.528 1.00 72.42 H new ATOM 0 HD12 LEU A 96 -0.516 3.269 2.276 1.00 72.42 H new ATOM 0 HD13 LEU A 96 0.391 1.968 1.469 1.00 72.42 H new ATOM 0 HD21 LEU A 96 -1.965 1.036 -0.306 1.00 41.14 H new ATOM 0 HD22 LEU A 96 -0.926 -0.092 0.598 1.00 41.14 H new ATOM 0 HD23 LEU A 96 -2.690 -0.123 0.833 1.00 41.14 H new ATOM 1471 N GLU A 97 -3.905 1.834 4.780 1.00 24.35 N ATOM 1472 CA GLU A 97 -5.232 2.467 4.870 1.00 61.24 C ATOM 1473 C GLU A 97 -5.282 3.540 5.976 1.00 74.11 C ATOM 1474 O GLU A 97 -5.926 4.582 5.817 1.00 62.23 O ATOM 1475 CB GLU A 97 -6.325 1.409 5.101 1.00 31.55 C ATOM 1476 CG GLU A 97 -6.095 0.533 6.325 1.00 3.43 C ATOM 1477 CD GLU A 97 -7.222 -0.457 6.566 1.00 52.25 C ATOM 1478 OE1 GLU A 97 -7.381 -1.393 5.756 1.00 4.24 O ATOM 1479 OE2 GLU A 97 -7.960 -0.300 7.564 1.00 53.22 O ATOM 0 H GLU A 97 -3.900 0.835 4.984 1.00 24.35 H new ATOM 0 HA GLU A 97 -5.419 2.964 3.918 1.00 61.24 H new ATOM 0 HB2 GLU A 97 -7.286 1.912 5.203 1.00 31.55 H new ATOM 0 HB3 GLU A 97 -6.391 0.772 4.219 1.00 31.55 H new ATOM 0 HG2 GLU A 97 -5.159 -0.013 6.204 1.00 3.43 H new ATOM 0 HG3 GLU A 97 -5.982 1.168 7.204 1.00 3.43 H new ATOM 1486 N LEU A 98 -4.598 3.283 7.093 1.00 43.21 N ATOM 1487 CA LEU A 98 -4.514 4.255 8.190 1.00 4.52 C ATOM 1488 C LEU A 98 -3.752 5.519 7.760 1.00 64.04 C ATOM 1489 O LEU A 98 -4.146 6.639 8.093 1.00 60.02 O ATOM 1490 CB LEU A 98 -3.837 3.625 9.419 1.00 11.22 C ATOM 1491 CG LEU A 98 -4.627 2.489 10.087 1.00 73.34 C ATOM 1492 CD1 LEU A 98 -3.821 1.854 11.219 1.00 14.03 C ATOM 1493 CD2 LEU A 98 -5.973 2.998 10.596 1.00 14.04 C ATOM 0 H LEU A 98 -4.095 2.412 7.263 1.00 43.21 H new ATOM 0 HA LEU A 98 -5.531 4.544 8.454 1.00 4.52 H new ATOM 0 HB2 LEU A 98 -2.861 3.242 9.120 1.00 11.22 H new ATOM 0 HB3 LEU A 98 -3.660 4.407 10.158 1.00 11.22 H new ATOM 0 HG LEU A 98 -4.814 1.719 9.338 1.00 73.34 H new ATOM 0 HD11 LEU A 98 -4.403 1.053 11.675 1.00 14.03 H new ATOM 0 HD12 LEU A 98 -2.892 1.446 10.820 1.00 14.03 H new ATOM 0 HD13 LEU A 98 -3.592 2.609 11.971 1.00 14.03 H new ATOM 0 HD21 LEU A 98 -6.518 2.179 11.066 1.00 14.04 H new ATOM 0 HD22 LEU A 98 -5.810 3.791 11.326 1.00 14.04 H new ATOM 0 HD23 LEU A 98 -6.554 3.388 9.760 1.00 14.04 H new ATOM 1505 N SER A 99 -2.666 5.335 7.017 1.00 1.14 N ATOM 1506 CA SER A 99 -1.866 6.464 6.524 1.00 4.33 C ATOM 1507 C SER A 99 -2.621 7.270 5.450 1.00 62.42 C ATOM 1508 O SER A 99 -2.493 8.492 5.372 1.00 62.42 O ATOM 1509 CB SER A 99 -0.525 5.964 5.970 1.00 24.22 C ATOM 1510 OG SER A 99 0.244 5.321 6.977 1.00 22.12 O ATOM 0 H SER A 99 -2.315 4.418 6.740 1.00 1.14 H new ATOM 0 HA SER A 99 -1.678 7.130 7.366 1.00 4.33 H new ATOM 0 HB2 SER A 99 -0.705 5.270 5.149 1.00 24.22 H new ATOM 0 HB3 SER A 99 0.037 6.803 5.561 1.00 24.22 H new ATOM 0 HG SER A 99 -0.075 4.402 7.095 1.00 22.12 H new ATOM 1516 N LEU A 100 -3.416 6.587 4.630 1.00 1.23 N ATOM 1517 CA LEU A 100 -4.209 7.256 3.588 1.00 72.10 C ATOM 1518 C LEU A 100 -5.288 8.176 4.190 1.00 11.33 C ATOM 1519 O LEU A 100 -5.496 9.300 3.715 1.00 32.31 O ATOM 1520 CB LEU A 100 -4.856 6.219 2.653 1.00 34.32 C ATOM 1521 CG LEU A 100 -3.871 5.417 1.783 1.00 64.40 C ATOM 1522 CD1 LEU A 100 -4.598 4.354 0.969 1.00 53.24 C ATOM 1523 CD2 LEU A 100 -3.087 6.348 0.862 1.00 63.20 C ATOM 0 H LEU A 100 -3.532 5.574 4.662 1.00 1.23 H new ATOM 0 HA LEU A 100 -3.527 7.880 3.011 1.00 72.10 H new ATOM 0 HB2 LEU A 100 -5.435 5.520 3.257 1.00 34.32 H new ATOM 0 HB3 LEU A 100 -5.559 6.733 1.998 1.00 34.32 H new ATOM 0 HG LEU A 100 -3.170 4.914 2.449 1.00 64.40 H new ATOM 0 HD11 LEU A 100 -3.878 3.803 0.364 1.00 53.24 H new ATOM 0 HD12 LEU A 100 -5.108 3.665 1.643 1.00 53.24 H new ATOM 0 HD13 LEU A 100 -5.329 4.832 0.317 1.00 53.24 H new ATOM 0 HD21 LEU A 100 -2.396 5.763 0.255 1.00 63.20 H new ATOM 0 HD22 LEU A 100 -3.779 6.883 0.211 1.00 63.20 H new ATOM 0 HD23 LEU A 100 -2.526 7.065 1.461 1.00 63.20 H new ATOM 1535 N GLN A 101 -5.967 7.707 5.241 1.00 2.31 N ATOM 1536 CA GLN A 101 -7.033 8.499 5.874 1.00 41.21 C ATOM 1537 C GLN A 101 -6.468 9.717 6.629 1.00 2.33 C ATOM 1538 O GLN A 101 -7.069 10.791 6.619 1.00 23.31 O ATOM 1539 CB GLN A 101 -7.899 7.636 6.811 1.00 73.12 C ATOM 1540 CG GLN A 101 -7.149 7.010 7.981 1.00 40.23 C ATOM 1541 CD GLN A 101 -8.066 6.233 8.913 1.00 54.35 C ATOM 1542 OE1 GLN A 101 -8.292 5.039 8.738 1.00 11.12 O ATOM 1543 NE2 GLN A 101 -8.607 6.904 9.906 1.00 2.44 N ATOM 0 H GLN A 101 -5.803 6.796 5.669 1.00 2.31 H new ATOM 0 HA GLN A 101 -7.669 8.869 5.070 1.00 41.21 H new ATOM 0 HB2 GLN A 101 -8.708 8.252 7.204 1.00 73.12 H new ATOM 0 HB3 GLN A 101 -8.360 6.840 6.226 1.00 73.12 H new ATOM 0 HG2 GLN A 101 -6.376 6.343 7.598 1.00 40.23 H new ATOM 0 HG3 GLN A 101 -6.643 7.794 8.545 1.00 40.23 H new ATOM 0 HE21 GLN A 101 -8.399 7.896 10.024 1.00 2.44 H new ATOM 0 HE22 GLN A 101 -9.234 6.433 10.558 1.00 2.44 H new ATOM 1552 N GLU A 102 -5.308 9.561 7.273 1.00 5.41 N ATOM 1553 CA GLU A 102 -4.675 10.692 7.969 1.00 33.03 C ATOM 1554 C GLU A 102 -4.068 11.689 6.966 1.00 22.11 C ATOM 1555 O GLU A 102 -4.045 12.895 7.216 1.00 50.54 O ATOM 1556 CB GLU A 102 -3.601 10.217 8.960 1.00 21.25 C ATOM 1557 CG GLU A 102 -2.383 9.574 8.307 1.00 3.02 C ATOM 1558 CD GLU A 102 -1.309 9.187 9.311 1.00 52.35 C ATOM 1559 OE1 GLU A 102 -0.494 10.058 9.685 1.00 11.33 O ATOM 1560 OE2 GLU A 102 -1.273 8.013 9.732 1.00 22.33 O ATOM 0 H GLU A 102 -4.794 8.682 7.329 1.00 5.41 H new ATOM 0 HA GLU A 102 -5.457 11.199 8.535 1.00 33.03 H new ATOM 0 HB2 GLU A 102 -3.272 11.068 9.556 1.00 21.25 H new ATOM 0 HB3 GLU A 102 -4.050 9.501 9.648 1.00 21.25 H new ATOM 0 HG2 GLU A 102 -2.697 8.686 7.758 1.00 3.02 H new ATOM 0 HG3 GLU A 102 -1.960 10.266 7.578 1.00 3.02 H new ATOM 1567 N LEU A 103 -3.587 11.185 5.825 1.00 20.10 N ATOM 1568 CA LEU A 103 -3.040 12.049 4.769 1.00 62.01 C ATOM 1569 C LEU A 103 -4.075 13.074 4.290 1.00 12.40 C ATOM 1570 O LEU A 103 -3.830 14.277 4.325 1.00 53.31 O ATOM 1571 CB LEU A 103 -2.561 11.218 3.569 1.00 31.23 C ATOM 1572 CG LEU A 103 -2.008 12.037 2.385 1.00 65.20 C ATOM 1573 CD1 LEU A 103 -0.799 12.869 2.813 1.00 12.22 C ATOM 1574 CD2 LEU A 103 -1.645 11.126 1.217 1.00 40.23 C ATOM 0 H LEU A 103 -3.564 10.189 5.608 1.00 20.10 H new ATOM 0 HA LEU A 103 -2.192 12.580 5.202 1.00 62.01 H new ATOM 0 HB2 LEU A 103 -1.786 10.531 3.909 1.00 31.23 H new ATOM 0 HB3 LEU A 103 -3.392 10.610 3.213 1.00 31.23 H new ATOM 0 HG LEU A 103 -2.791 12.720 2.056 1.00 65.20 H new ATOM 0 HD11 LEU A 103 -0.428 13.437 1.960 1.00 12.22 H new ATOM 0 HD12 LEU A 103 -1.093 13.556 3.607 1.00 12.22 H new ATOM 0 HD13 LEU A 103 -0.013 12.208 3.178 1.00 12.22 H new ATOM 0 HD21 LEU A 103 -1.257 11.726 0.394 1.00 40.23 H new ATOM 0 HD22 LEU A 103 -0.885 10.412 1.535 1.00 40.23 H new ATOM 0 HD23 LEU A 103 -2.533 10.587 0.886 1.00 40.23 H new ATOM 1586 N GLN A 104 -5.234 12.592 3.843 1.00 53.43 N ATOM 1587 CA GLN A 104 -6.279 13.473 3.306 1.00 64.52 C ATOM 1588 C GLN A 104 -6.744 14.525 4.335 1.00 31.42 C ATOM 1589 O GLN A 104 -6.911 15.700 3.996 1.00 22.34 O ATOM 1590 CB GLN A 104 -7.470 12.640 2.807 1.00 32.54 C ATOM 1591 CG GLN A 104 -8.093 11.749 3.874 1.00 70.45 C ATOM 1592 CD GLN A 104 -9.205 10.872 3.332 1.00 52.23 C ATOM 1593 OE1 GLN A 104 -10.372 11.254 3.331 1.00 14.02 O ATOM 1594 NE2 GLN A 104 -8.856 9.688 2.864 1.00 51.11 N ATOM 0 H GLN A 104 -5.476 11.601 3.840 1.00 53.43 H new ATOM 0 HA GLN A 104 -5.847 14.019 2.467 1.00 64.52 H new ATOM 0 HB2 GLN A 104 -8.234 13.314 2.419 1.00 32.54 H new ATOM 0 HB3 GLN A 104 -7.142 12.017 1.975 1.00 32.54 H new ATOM 0 HG2 GLN A 104 -7.319 11.118 4.311 1.00 70.45 H new ATOM 0 HG3 GLN A 104 -8.487 12.372 4.677 1.00 70.45 H new ATOM 0 HE21 GLN A 104 -7.877 9.402 2.880 1.00 51.11 H new ATOM 0 HE22 GLN A 104 -9.565 9.060 2.487 1.00 51.11 H new ATOM 1603 N VAL A 105 -6.926 14.113 5.592 1.00 71.35 N ATOM 1604 CA VAL A 105 -7.394 15.033 6.640 1.00 21.15 C ATOM 1605 C VAL A 105 -6.274 15.972 7.130 1.00 11.22 C ATOM 1606 O VAL A 105 -6.546 17.051 7.663 1.00 11.02 O ATOM 1607 CB VAL A 105 -7.997 14.271 7.848 1.00 62.21 C ATOM 1608 CG1 VAL A 105 -9.147 13.370 7.401 1.00 53.15 C ATOM 1609 CG2 VAL A 105 -6.930 13.466 8.588 1.00 62.15 C ATOM 0 H VAL A 105 -6.759 13.158 5.910 1.00 71.35 H new ATOM 0 HA VAL A 105 -8.176 15.638 6.181 1.00 21.15 H new ATOM 0 HB VAL A 105 -8.393 15.011 8.543 1.00 62.21 H new ATOM 0 HG11 VAL A 105 -9.555 12.845 8.265 1.00 53.15 H new ATOM 0 HG12 VAL A 105 -9.928 13.977 6.943 1.00 53.15 H new ATOM 0 HG13 VAL A 105 -8.780 12.644 6.676 1.00 53.15 H new ATOM 0 HG21 VAL A 105 -7.386 12.944 9.429 1.00 62.15 H new ATOM 0 HG22 VAL A 105 -6.486 12.739 7.908 1.00 62.15 H new ATOM 0 HG23 VAL A 105 -6.156 14.140 8.956 1.00 62.15 H new ATOM 1619 N SER A 106 -5.018 15.557 6.953 1.00 23.23 N ATOM 1620 CA SER A 106 -3.855 16.380 7.342 1.00 21.42 C ATOM 1621 C SER A 106 -3.101 16.889 6.099 1.00 23.52 C ATOM 1622 O SER A 106 -1.955 17.327 6.184 1.00 10.04 O ATOM 1623 CB SER A 106 -2.907 15.566 8.245 1.00 21.34 C ATOM 1624 OG SER A 106 -1.817 16.350 8.718 1.00 5.31 O ATOM 0 H SER A 106 -4.773 14.656 6.543 1.00 23.23 H new ATOM 0 HA SER A 106 -4.218 17.245 7.897 1.00 21.42 H new ATOM 0 HB2 SER A 106 -3.465 15.171 9.094 1.00 21.34 H new ATOM 0 HB3 SER A 106 -2.524 14.710 7.690 1.00 21.34 H new ATOM 0 HG SER A 106 -1.536 16.976 8.018 1.00 5.31 H new ATOM 1630 N SER A 107 -3.767 16.840 4.947 1.00 44.12 N ATOM 1631 CA SER A 107 -3.167 17.257 3.668 1.00 21.52 C ATOM 1632 C SER A 107 -2.662 18.704 3.704 1.00 31.24 C ATOM 1633 O SER A 107 -1.460 18.947 3.575 1.00 52.34 O ATOM 1634 CB SER A 107 -4.184 17.096 2.527 1.00 53.02 C ATOM 1635 OG SER A 107 -5.362 17.860 2.768 1.00 34.14 O ATOM 0 H SER A 107 -4.730 16.514 4.867 1.00 44.12 H new ATOM 0 HA SER A 107 -2.307 16.610 3.494 1.00 21.52 H new ATOM 0 HB2 SER A 107 -3.731 17.410 1.587 1.00 53.02 H new ATOM 0 HB3 SER A 107 -4.447 16.044 2.418 1.00 53.02 H new ATOM 0 HG SER A 107 -6.044 17.289 3.180 1.00 34.14 H new ATOM 1641 N ALA A 108 -3.589 19.651 3.871 1.00 43.44 N ATOM 1642 CA ALA A 108 -3.268 21.087 3.883 1.00 65.23 C ATOM 1643 C ALA A 108 -2.690 21.549 2.534 1.00 45.01 C ATOM 1644 O ALA A 108 -3.340 22.278 1.783 1.00 61.03 O ATOM 1645 CB ALA A 108 -2.311 21.422 5.026 1.00 3.40 C ATOM 0 H ALA A 108 -4.580 19.449 4.001 1.00 43.44 H new ATOM 0 HA ALA A 108 -4.199 21.629 4.046 1.00 65.23 H new ATOM 0 HB1 ALA A 108 -2.089 22.489 5.014 1.00 3.40 H new ATOM 0 HB2 ALA A 108 -2.774 21.159 5.977 1.00 3.40 H new ATOM 0 HB3 ALA A 108 -1.387 20.858 4.904 1.00 3.40 H new ATOM 1651 N ALA A 109 -1.463 21.129 2.242 1.00 54.40 N ATOM 1652 CA ALA A 109 -0.831 21.387 0.947 1.00 74.10 C ATOM 1653 C ALA A 109 -1.594 20.688 -0.191 1.00 32.41 C ATOM 1654 O ALA A 109 -2.138 19.598 -0.004 1.00 14.02 O ATOM 1655 CB ALA A 109 0.614 20.902 0.977 1.00 34.55 C ATOM 0 H ALA A 109 -0.879 20.602 2.891 1.00 54.40 H new ATOM 0 HA ALA A 109 -0.854 22.461 0.761 1.00 74.10 H new ATOM 0 HB1 ALA A 109 1.083 21.095 0.012 1.00 34.55 H new ATOM 0 HB2 ALA A 109 1.160 21.432 1.758 1.00 34.55 H new ATOM 0 HB3 ALA A 109 0.634 19.832 1.183 1.00 34.55 H new ATOM 1661 N ALA A 110 -1.627 21.313 -1.368 1.00 12.20 N ATOM 1662 CA ALA A 110 -2.299 20.725 -2.532 1.00 25.42 C ATOM 1663 C ALA A 110 -1.515 19.520 -3.075 1.00 23.43 C ATOM 1664 O ALA A 110 -2.082 18.449 -3.311 1.00 13.23 O ATOM 1665 CB ALA A 110 -2.489 21.777 -3.622 1.00 23.42 C ATOM 0 H ALA A 110 -1.199 22.222 -1.543 1.00 12.20 H new ATOM 0 HA ALA A 110 -3.279 20.370 -2.214 1.00 25.42 H new ATOM 0 HB1 ALA A 110 -2.989 21.326 -4.479 1.00 23.42 H new ATOM 0 HB2 ALA A 110 -3.097 22.595 -3.236 1.00 23.42 H new ATOM 0 HB3 ALA A 110 -1.517 22.162 -3.930 1.00 23.42 H new ATOM 1671 N GLY A 111 -0.208 19.702 -3.262 1.00 52.45 N ATOM 1672 CA GLY A 111 0.638 18.622 -3.763 1.00 62.50 C ATOM 1673 C GLY A 111 2.134 18.897 -3.611 1.00 74.23 C ATOM 1674 O GLY A 111 2.837 19.119 -4.599 1.00 1.12 O ATOM 0 H GLY A 111 0.283 20.577 -3.076 1.00 52.45 H new ATOM 0 HA2 GLY A 111 0.390 17.702 -3.233 1.00 62.50 H new ATOM 0 HA3 GLY A 111 0.413 18.454 -4.816 1.00 62.50 H new ATOM 1678 N VAL A 112 2.621 18.878 -2.371 1.00 34.43 N ATOM 1679 CA VAL A 112 4.044 19.117 -2.082 1.00 51.54 C ATOM 1680 C VAL A 112 4.682 17.890 -1.402 1.00 23.34 C ATOM 1681 O VAL A 112 4.174 17.402 -0.392 1.00 24.24 O ATOM 1682 CB VAL A 112 4.234 20.363 -1.171 1.00 25.50 C ATOM 1683 CG1 VAL A 112 5.716 20.628 -0.896 1.00 1.33 C ATOM 1684 CG2 VAL A 112 3.570 21.594 -1.790 1.00 32.23 C ATOM 0 H VAL A 112 2.052 18.699 -1.543 1.00 34.43 H new ATOM 0 HA VAL A 112 4.539 19.298 -3.036 1.00 51.54 H new ATOM 0 HB VAL A 112 3.749 20.155 -0.217 1.00 25.50 H new ATOM 0 HG11 VAL A 112 5.816 21.505 -0.257 1.00 1.33 H new ATOM 0 HG12 VAL A 112 6.154 19.763 -0.397 1.00 1.33 H new ATOM 0 HG13 VAL A 112 6.235 20.805 -1.838 1.00 1.33 H new ATOM 0 HG21 VAL A 112 3.716 22.454 -1.136 1.00 32.23 H new ATOM 0 HG22 VAL A 112 4.018 21.798 -2.763 1.00 32.23 H new ATOM 0 HG23 VAL A 112 2.503 21.408 -1.913 1.00 32.23 H new ATOM 1694 N PRO A 113 5.805 17.370 -1.939 1.00 25.00 N ATOM 1695 CA PRO A 113 6.494 16.205 -1.352 1.00 15.12 C ATOM 1696 C PRO A 113 7.286 16.559 -0.078 1.00 15.32 C ATOM 1697 O PRO A 113 7.807 17.668 0.056 1.00 50.15 O ATOM 1698 CB PRO A 113 7.439 15.763 -2.479 1.00 22.03 C ATOM 1699 CG PRO A 113 7.744 17.020 -3.223 1.00 62.24 C ATOM 1700 CD PRO A 113 6.491 17.861 -3.154 1.00 72.45 C ATOM 0 HA PRO A 113 5.795 15.433 -1.030 1.00 15.12 H new ATOM 0 HB2 PRO A 113 8.346 15.307 -2.081 1.00 22.03 H new ATOM 0 HB3 PRO A 113 6.967 15.023 -3.126 1.00 22.03 H new ATOM 0 HG2 PRO A 113 8.589 17.543 -2.775 1.00 62.24 H new ATOM 0 HG3 PRO A 113 8.013 16.805 -4.257 1.00 62.24 H new ATOM 0 HD2 PRO A 113 6.725 18.923 -3.080 1.00 72.45 H new ATOM 0 HD3 PRO A 113 5.873 17.732 -4.042 1.00 72.45 H new ATOM 1708 N GLY A 114 7.355 15.620 0.867 1.00 25.10 N ATOM 1709 CA GLY A 114 8.150 15.819 2.080 1.00 71.42 C ATOM 1710 C GLY A 114 7.453 16.636 3.170 1.00 35.23 C ATOM 1711 O GLY A 114 7.551 16.302 4.353 1.00 34.53 O ATOM 0 H GLY A 114 6.875 14.722 0.817 1.00 25.10 H new ATOM 0 HA2 GLY A 114 8.416 14.844 2.489 1.00 71.42 H new ATOM 0 HA3 GLY A 114 9.082 16.317 1.811 1.00 71.42 H new ATOM 1715 N THR A 115 6.751 17.706 2.782 1.00 60.22 N ATOM 1716 CA THR A 115 6.112 18.620 3.752 1.00 25.25 C ATOM 1717 C THR A 115 5.291 17.878 4.820 1.00 1.13 C ATOM 1718 O THR A 115 5.359 18.208 6.003 1.00 43.24 O ATOM 1719 CB THR A 115 5.196 19.662 3.056 1.00 50.22 C ATOM 1720 OG1 THR A 115 4.617 20.544 4.031 1.00 22.24 O ATOM 1721 CG2 THR A 115 4.083 18.984 2.264 1.00 31.02 C ATOM 0 H THR A 115 6.607 17.965 1.806 1.00 60.22 H new ATOM 0 HA THR A 115 6.939 19.134 4.242 1.00 25.25 H new ATOM 0 HB THR A 115 5.814 20.234 2.364 1.00 50.22 H new ATOM 0 HG1 THR A 115 4.043 21.198 3.580 1.00 22.24 H new ATOM 0 HG21 THR A 115 3.460 19.742 1.789 1.00 31.02 H new ATOM 0 HG22 THR A 115 4.520 18.342 1.499 1.00 31.02 H new ATOM 0 HG23 THR A 115 3.472 18.382 2.937 1.00 31.02 H new ATOM 1729 N ASN A 116 4.522 16.872 4.403 1.00 50.21 N ATOM 1730 CA ASN A 116 3.707 16.081 5.334 1.00 31.50 C ATOM 1731 C ASN A 116 4.402 14.752 5.688 1.00 53.22 C ATOM 1732 O ASN A 116 4.732 13.965 4.799 1.00 25.53 O ATOM 1733 CB ASN A 116 2.323 15.799 4.727 1.00 54.05 C ATOM 1734 CG ASN A 116 1.561 17.069 4.390 1.00 50.13 C ATOM 1735 OD1 ASN A 116 1.796 18.122 4.971 1.00 60.03 O ATOM 1736 ND2 ASN A 116 0.634 16.978 3.459 1.00 41.10 N ATOM 0 H ASN A 116 4.444 16.583 3.428 1.00 50.21 H new ATOM 0 HA ASN A 116 3.586 16.662 6.249 1.00 31.50 H new ATOM 0 HB2 ASN A 116 2.442 15.201 3.823 1.00 54.05 H new ATOM 0 HB3 ASN A 116 1.738 15.204 5.428 1.00 54.05 H new ATOM 0 HD21 ASN A 116 0.087 17.800 3.202 1.00 41.10 H new ATOM 0 HD22 ASN A 116 0.463 16.086 2.995 1.00 41.10 H new ATOM 1743 N PRO A 117 4.615 14.472 6.991 1.00 40.41 N ATOM 1744 CA PRO A 117 5.267 13.224 7.437 1.00 52.03 C ATOM 1745 C PRO A 117 4.527 11.971 6.946 1.00 31.21 C ATOM 1746 O PRO A 117 5.130 10.918 6.722 1.00 2.34 O ATOM 1747 CB PRO A 117 5.220 13.316 8.974 1.00 34.03 C ATOM 1748 CG PRO A 117 4.187 14.353 9.274 1.00 31.20 C ATOM 1749 CD PRO A 117 4.240 15.329 8.131 1.00 3.42 C ATOM 0 HA PRO A 117 6.277 13.130 7.039 1.00 52.03 H new ATOM 0 HB2 PRO A 117 4.955 12.356 9.418 1.00 34.03 H new ATOM 0 HB3 PRO A 117 6.191 13.598 9.381 1.00 34.03 H new ATOM 0 HG2 PRO A 117 3.197 13.905 9.360 1.00 31.20 H new ATOM 0 HG3 PRO A 117 4.395 14.849 10.222 1.00 31.20 H new ATOM 0 HD2 PRO A 117 3.279 15.818 7.971 1.00 3.42 H new ATOM 0 HD3 PRO A 117 4.974 16.116 8.304 1.00 3.42 H new ATOM 1757 N VAL A 118 3.215 12.106 6.765 1.00 11.02 N ATOM 1758 CA VAL A 118 2.373 11.012 6.273 1.00 62.05 C ATOM 1759 C VAL A 118 2.873 10.470 4.923 1.00 32.31 C ATOM 1760 O VAL A 118 2.755 9.279 4.640 1.00 42.35 O ATOM 1761 CB VAL A 118 0.901 11.462 6.119 1.00 0.35 C ATOM 1762 CG1 VAL A 118 0.010 10.272 5.780 1.00 30.43 C ATOM 1763 CG2 VAL A 118 0.411 12.176 7.379 1.00 63.33 C ATOM 0 H VAL A 118 2.706 12.970 6.953 1.00 11.02 H new ATOM 0 HA VAL A 118 2.433 10.218 7.017 1.00 62.05 H new ATOM 0 HB VAL A 118 0.846 12.173 5.294 1.00 0.35 H new ATOM 0 HG11 VAL A 118 -1.022 10.608 5.676 1.00 30.43 H new ATOM 0 HG12 VAL A 118 0.342 9.824 4.844 1.00 30.43 H new ATOM 0 HG13 VAL A 118 0.072 9.532 6.578 1.00 30.43 H new ATOM 0 HG21 VAL A 118 -0.626 12.482 7.244 1.00 63.33 H new ATOM 0 HG22 VAL A 118 0.482 11.500 8.231 1.00 63.33 H new ATOM 0 HG23 VAL A 118 1.028 13.056 7.562 1.00 63.33 H new ATOM 1773 N LEU A 119 3.436 11.352 4.099 1.00 61.30 N ATOM 1774 CA LEU A 119 4.003 10.953 2.806 1.00 12.44 C ATOM 1775 C LEU A 119 5.115 9.910 3.000 1.00 32.52 C ATOM 1776 O LEU A 119 5.162 8.892 2.309 1.00 14.21 O ATOM 1777 CB LEU A 119 4.555 12.185 2.068 1.00 32.32 C ATOM 1778 CG LEU A 119 3.536 13.312 1.816 1.00 71.03 C ATOM 1779 CD1 LEU A 119 4.204 14.503 1.135 1.00 74.45 C ATOM 1780 CD2 LEU A 119 2.359 12.802 0.989 1.00 3.33 C ATOM 0 H LEU A 119 3.513 12.349 4.301 1.00 61.30 H new ATOM 0 HA LEU A 119 3.211 10.505 2.206 1.00 12.44 H new ATOM 0 HB2 LEU A 119 5.386 12.591 2.644 1.00 32.32 H new ATOM 0 HB3 LEU A 119 4.960 11.862 1.109 1.00 32.32 H new ATOM 0 HG LEU A 119 3.152 13.646 2.780 1.00 71.03 H new ATOM 0 HD11 LEU A 119 3.466 15.287 0.967 1.00 74.45 H new ATOM 0 HD12 LEU A 119 5.001 14.886 1.772 1.00 74.45 H new ATOM 0 HD13 LEU A 119 4.623 14.188 0.179 1.00 74.45 H new ATOM 0 HD21 LEU A 119 1.652 13.615 0.823 1.00 3.33 H new ATOM 0 HD22 LEU A 119 2.721 12.434 0.029 1.00 3.33 H new ATOM 0 HD23 LEU A 119 1.862 11.992 1.524 1.00 3.33 H new ATOM 1792 N ASN A 120 5.992 10.168 3.965 1.00 21.44 N ATOM 1793 CA ASN A 120 7.078 9.239 4.297 1.00 43.53 C ATOM 1794 C ASN A 120 6.521 7.937 4.897 1.00 1.21 C ATOM 1795 O ASN A 120 7.058 6.848 4.665 1.00 61.43 O ATOM 1796 CB ASN A 120 8.055 9.892 5.281 1.00 24.52 C ATOM 1797 CG ASN A 120 8.587 11.219 4.778 1.00 61.21 C ATOM 1798 OD1 ASN A 120 8.723 11.440 3.579 1.00 40.43 O ATOM 1799 ND2 ASN A 120 8.895 12.117 5.689 1.00 1.40 N ATOM 0 H ASN A 120 5.975 11.014 4.535 1.00 21.44 H new ATOM 0 HA ASN A 120 7.609 8.996 3.377 1.00 43.53 H new ATOM 0 HB2 ASN A 120 7.555 10.044 6.237 1.00 24.52 H new ATOM 0 HB3 ASN A 120 8.890 9.215 5.462 1.00 24.52 H new ATOM 0 HD21 ASN A 120 9.258 13.027 5.406 1.00 1.40 H new ATOM 0 HD22 ASN A 120 8.771 11.903 6.679 1.00 1.40 H new ATOM 1806 N ASN A 121 5.441 8.055 5.675 1.00 15.03 N ATOM 1807 CA ASN A 121 4.762 6.882 6.241 1.00 14.33 C ATOM 1808 C ASN A 121 4.207 5.984 5.127 1.00 23.23 C ATOM 1809 O ASN A 121 4.385 4.765 5.158 1.00 24.05 O ATOM 1810 CB ASN A 121 3.626 7.300 7.186 1.00 22.51 C ATOM 1811 CG ASN A 121 4.104 8.178 8.326 1.00 24.11 C ATOM 1812 OD1 ASN A 121 5.266 8.138 8.718 1.00 71.32 O ATOM 1813 ND2 ASN A 121 3.208 8.960 8.889 1.00 65.54 N ATOM 0 H ASN A 121 5.018 8.948 5.928 1.00 15.03 H new ATOM 0 HA ASN A 121 5.500 6.321 6.814 1.00 14.33 H new ATOM 0 HB2 ASN A 121 2.864 7.833 6.617 1.00 22.51 H new ATOM 0 HB3 ASN A 121 3.152 6.407 7.595 1.00 22.51 H new ATOM 0 HD21 ASN A 121 3.472 9.555 9.674 1.00 65.54 H new ATOM 0 HD22 ASN A 121 2.250 8.971 8.540 1.00 65.54 H new ATOM 1820 N LEU A 122 3.539 6.592 4.143 1.00 45.44 N ATOM 1821 CA LEU A 122 3.054 5.856 2.971 1.00 72.33 C ATOM 1822 C LEU A 122 4.207 5.145 2.261 1.00 1.52 C ATOM 1823 O LEU A 122 4.098 3.972 1.915 1.00 13.34 O ATOM 1824 CB LEU A 122 2.332 6.791 1.986 1.00 35.25 C ATOM 1825 CG LEU A 122 0.915 7.215 2.401 1.00 24.11 C ATOM 1826 CD1 LEU A 122 0.297 8.139 1.358 1.00 13.43 C ATOM 1827 CD2 LEU A 122 0.033 5.988 2.611 1.00 24.22 C ATOM 0 H LEU A 122 3.322 7.589 4.134 1.00 45.44 H new ATOM 0 HA LEU A 122 2.342 5.110 3.324 1.00 72.33 H new ATOM 0 HB2 LEU A 122 2.937 7.688 1.852 1.00 35.25 H new ATOM 0 HB3 LEU A 122 2.276 6.297 1.016 1.00 35.25 H new ATOM 0 HG LEU A 122 0.985 7.761 3.342 1.00 24.11 H new ATOM 0 HD11 LEU A 122 -0.706 8.425 1.674 1.00 13.43 H new ATOM 0 HD12 LEU A 122 0.913 9.032 1.252 1.00 13.43 H new ATOM 0 HD13 LEU A 122 0.241 7.621 0.400 1.00 13.43 H new ATOM 0 HD21 LEU A 122 -0.968 6.305 2.905 1.00 24.22 H new ATOM 0 HD22 LEU A 122 -0.024 5.418 1.684 1.00 24.22 H new ATOM 0 HD23 LEU A 122 0.460 5.363 3.395 1.00 24.22 H new ATOM 1839 N LEU A 123 5.317 5.858 2.062 1.00 1.42 N ATOM 1840 CA LEU A 123 6.515 5.268 1.452 1.00 51.45 C ATOM 1841 C LEU A 123 6.929 3.979 2.190 1.00 4.53 C ATOM 1842 O LEU A 123 7.153 2.939 1.570 1.00 14.23 O ATOM 1843 CB LEU A 123 7.672 6.281 1.461 1.00 54.24 C ATOM 1844 CG LEU A 123 8.949 5.833 0.724 1.00 51.10 C ATOM 1845 CD1 LEU A 123 8.669 5.613 -0.761 1.00 31.23 C ATOM 1846 CD2 LEU A 123 10.074 6.853 0.917 1.00 21.34 C ATOM 0 H LEU A 123 5.414 6.842 2.313 1.00 1.42 H new ATOM 0 HA LEU A 123 6.280 5.010 0.419 1.00 51.45 H new ATOM 0 HB2 LEU A 123 7.322 7.211 1.013 1.00 54.24 H new ATOM 0 HB3 LEU A 123 7.930 6.503 2.497 1.00 54.24 H new ATOM 0 HG LEU A 123 9.272 4.885 1.153 1.00 51.10 H new ATOM 0 HD11 LEU A 123 9.585 5.297 -1.261 1.00 31.23 H new ATOM 0 HD12 LEU A 123 7.908 4.842 -0.877 1.00 31.23 H new ATOM 0 HD13 LEU A 123 8.315 6.543 -1.206 1.00 31.23 H new ATOM 0 HD21 LEU A 123 10.965 6.516 0.388 1.00 21.34 H new ATOM 0 HD22 LEU A 123 9.761 7.819 0.521 1.00 21.34 H new ATOM 0 HD23 LEU A 123 10.298 6.951 1.979 1.00 21.34 H new ATOM 1858 N SER A 124 7.002 4.055 3.519 1.00 22.11 N ATOM 1859 CA SER A 124 7.355 2.891 4.351 1.00 24.14 C ATOM 1860 C SER A 124 6.335 1.749 4.195 1.00 22.31 C ATOM 1861 O SER A 124 6.706 0.599 3.956 1.00 75.20 O ATOM 1862 CB SER A 124 7.449 3.299 5.828 1.00 32.40 C ATOM 1863 OG SER A 124 7.815 2.197 6.647 1.00 61.32 O ATOM 0 H SER A 124 6.822 4.908 4.048 1.00 22.11 H new ATOM 0 HA SER A 124 8.325 2.529 4.009 1.00 24.14 H new ATOM 0 HB2 SER A 124 8.182 4.098 5.941 1.00 32.40 H new ATOM 0 HB3 SER A 124 6.490 3.698 6.159 1.00 32.40 H new ATOM 0 HG SER A 124 7.868 2.487 7.581 1.00 61.32 H new ATOM 1869 N CYS A 125 5.049 2.081 4.313 1.00 74.22 N ATOM 1870 CA CYS A 125 3.970 1.083 4.221 1.00 33.14 C ATOM 1871 C CYS A 125 3.942 0.389 2.848 1.00 21.15 C ATOM 1872 O CYS A 125 3.831 -0.832 2.764 1.00 54.52 O ATOM 1873 CB CYS A 125 2.611 1.738 4.497 1.00 33.22 C ATOM 1874 SG CYS A 125 2.471 2.503 6.132 1.00 1.42 S ATOM 0 H CYS A 125 4.723 3.034 4.473 1.00 74.22 H new ATOM 0 HA CYS A 125 4.170 0.323 4.976 1.00 33.14 H new ATOM 0 HB2 CYS A 125 2.425 2.497 3.737 1.00 33.22 H new ATOM 0 HB3 CYS A 125 1.830 0.985 4.393 1.00 33.22 H new ATOM 0 HG CYS A 125 3.189 3.586 6.167 1.00 1.42 H new ATOM 1880 N VAL A 126 4.040 1.176 1.778 1.00 70.21 N ATOM 1881 CA VAL A 126 4.026 0.638 0.412 1.00 74.12 C ATOM 1882 C VAL A 126 5.237 -0.272 0.154 1.00 0.32 C ATOM 1883 O VAL A 126 5.099 -1.364 -0.402 1.00 52.33 O ATOM 1884 CB VAL A 126 4.001 1.772 -0.647 1.00 15.32 C ATOM 1885 CG1 VAL A 126 4.068 1.204 -2.065 1.00 35.50 C ATOM 1886 CG2 VAL A 126 2.756 2.643 -0.471 1.00 11.25 C ATOM 0 H VAL A 126 4.130 2.191 1.827 1.00 70.21 H new ATOM 0 HA VAL A 126 3.114 0.049 0.319 1.00 74.12 H new ATOM 0 HB VAL A 126 4.882 2.395 -0.495 1.00 15.32 H new ATOM 0 HG11 VAL A 126 4.049 2.022 -2.786 1.00 35.50 H new ATOM 0 HG12 VAL A 126 4.990 0.635 -2.186 1.00 35.50 H new ATOM 0 HG13 VAL A 126 3.213 0.550 -2.236 1.00 35.50 H new ATOM 0 HG21 VAL A 126 2.755 3.433 -1.222 1.00 11.25 H new ATOM 0 HG22 VAL A 126 1.863 2.029 -0.589 1.00 11.25 H new ATOM 0 HG23 VAL A 126 2.761 3.088 0.524 1.00 11.25 H new ATOM 1896 N GLN A 127 6.424 0.184 0.558 1.00 44.23 N ATOM 1897 CA GLN A 127 7.641 -0.625 0.430 1.00 11.54 C ATOM 1898 C GLN A 127 7.528 -1.924 1.241 1.00 44.14 C ATOM 1899 O GLN A 127 7.992 -2.978 0.806 1.00 44.43 O ATOM 1900 CB GLN A 127 8.868 0.184 0.876 1.00 45.21 C ATOM 1901 CG GLN A 127 9.183 1.362 -0.043 1.00 3.12 C ATOM 1902 CD GLN A 127 10.277 2.267 0.499 1.00 53.44 C ATOM 1903 OE1 GLN A 127 10.448 2.410 1.706 1.00 43.31 O ATOM 1904 NE2 GLN A 127 11.022 2.896 -0.390 1.00 33.10 N ATOM 0 H GLN A 127 6.570 1.104 0.974 1.00 44.23 H new ATOM 0 HA GLN A 127 7.762 -0.894 -0.619 1.00 11.54 H new ATOM 0 HB2 GLN A 127 8.701 0.556 1.887 1.00 45.21 H new ATOM 0 HB3 GLN A 127 9.734 -0.477 0.918 1.00 45.21 H new ATOM 0 HG2 GLN A 127 9.485 0.983 -1.019 1.00 3.12 H new ATOM 0 HG3 GLN A 127 8.277 1.949 -0.195 1.00 3.12 H new ATOM 0 HE21 GLN A 127 10.855 2.756 -1.386 1.00 33.10 H new ATOM 0 HE22 GLN A 127 11.765 3.522 -0.081 1.00 33.10 H new ATOM 1913 N GLU A 128 6.898 -1.839 2.414 1.00 60.33 N ATOM 1914 CA GLU A 128 6.633 -3.020 3.245 1.00 62.32 C ATOM 1915 C GLU A 128 5.729 -4.026 2.508 1.00 33.12 C ATOM 1916 O GLU A 128 6.086 -5.191 2.342 1.00 3.43 O ATOM 1917 CB GLU A 128 5.976 -2.597 4.570 1.00 35.04 C ATOM 1918 CG GLU A 128 5.612 -3.759 5.495 1.00 12.50 C ATOM 1919 CD GLU A 128 6.825 -4.554 5.952 1.00 43.42 C ATOM 1920 OE1 GLU A 128 7.545 -4.080 6.857 1.00 14.22 O ATOM 1921 OE2 GLU A 128 7.069 -5.651 5.415 1.00 1.42 O ATOM 0 H GLU A 128 6.560 -0.963 2.813 1.00 60.33 H new ATOM 0 HA GLU A 128 7.585 -3.507 3.454 1.00 62.32 H new ATOM 0 HB2 GLU A 128 6.653 -1.926 5.099 1.00 35.04 H new ATOM 0 HB3 GLU A 128 5.073 -2.029 4.348 1.00 35.04 H new ATOM 0 HG2 GLU A 128 5.088 -3.371 6.369 1.00 12.50 H new ATOM 0 HG3 GLU A 128 4.921 -4.425 4.979 1.00 12.50 H new ATOM 1928 N ILE A 129 4.568 -3.556 2.048 1.00 13.43 N ATOM 1929 CA ILE A 129 3.615 -4.408 1.319 1.00 40.33 C ATOM 1930 C ILE A 129 4.265 -5.052 0.082 1.00 12.41 C ATOM 1931 O ILE A 129 4.195 -6.267 -0.109 1.00 51.13 O ATOM 1932 CB ILE A 129 2.358 -3.605 0.882 1.00 44.53 C ATOM 1933 CG1 ILE A 129 1.604 -3.077 2.117 1.00 72.53 C ATOM 1934 CG2 ILE A 129 1.437 -4.461 0.012 1.00 10.44 C ATOM 1935 CD1 ILE A 129 0.372 -2.257 1.785 1.00 33.43 C ATOM 0 H ILE A 129 4.261 -2.590 2.165 1.00 13.43 H new ATOM 0 HA ILE A 129 3.310 -5.197 2.006 1.00 40.33 H new ATOM 0 HB ILE A 129 2.687 -2.754 0.286 1.00 44.53 H new ATOM 0 HG12 ILE A 129 1.308 -3.923 2.738 1.00 72.53 H new ATOM 0 HG13 ILE A 129 2.284 -2.467 2.712 1.00 72.53 H new ATOM 0 HG21 ILE A 129 0.565 -3.876 -0.280 1.00 10.44 H new ATOM 0 HG22 ILE A 129 1.974 -4.782 -0.880 1.00 10.44 H new ATOM 0 HG23 ILE A 129 1.114 -5.336 0.576 1.00 10.44 H new ATOM 0 HD11 ILE A 129 -0.102 -1.922 2.708 1.00 33.43 H new ATOM 0 HD12 ILE A 129 0.661 -1.390 1.191 1.00 33.43 H new ATOM 0 HD13 ILE A 129 -0.330 -2.868 1.218 1.00 33.43 H new ATOM 1947 N SER A 130 4.909 -4.228 -0.747 1.00 51.22 N ATOM 1948 CA SER A 130 5.601 -4.717 -1.952 1.00 3.12 C ATOM 1949 C SER A 130 6.648 -5.784 -1.596 1.00 62.14 C ATOM 1950 O SER A 130 6.772 -6.798 -2.282 1.00 64.24 O ATOM 1951 CB SER A 130 6.277 -3.556 -2.696 1.00 32.14 C ATOM 1952 OG SER A 130 6.932 -4.004 -3.873 1.00 53.32 O ATOM 0 H SER A 130 4.969 -3.219 -0.610 1.00 51.22 H new ATOM 0 HA SER A 130 4.852 -5.169 -2.602 1.00 3.12 H new ATOM 0 HB2 SER A 130 5.531 -2.806 -2.957 1.00 32.14 H new ATOM 0 HB3 SER A 130 6.999 -3.072 -2.038 1.00 32.14 H new ATOM 0 HG SER A 130 7.351 -3.242 -4.324 1.00 53.32 H new ATOM 1958 N ASP A 131 7.381 -5.550 -0.509 1.00 4.25 N ATOM 1959 CA ASP A 131 8.386 -6.499 -0.016 1.00 72.31 C ATOM 1960 C ASP A 131 7.728 -7.843 0.363 1.00 51.35 C ATOM 1961 O ASP A 131 8.227 -8.913 0.008 1.00 64.15 O ATOM 1962 CB ASP A 131 9.116 -5.885 1.189 1.00 33.43 C ATOM 1963 CG ASP A 131 10.348 -6.666 1.616 1.00 31.35 C ATOM 1964 OD1 ASP A 131 10.202 -7.656 2.365 1.00 21.21 O ATOM 1965 OD2 ASP A 131 11.473 -6.274 1.234 1.00 43.15 O ATOM 0 H ASP A 131 7.298 -4.704 0.054 1.00 4.25 H new ATOM 0 HA ASP A 131 9.110 -6.699 -0.806 1.00 72.31 H new ATOM 0 HB2 ASP A 131 9.410 -4.864 0.944 1.00 33.43 H new ATOM 0 HB3 ASP A 131 8.425 -5.824 2.030 1.00 33.43 H new ATOM 1970 N VAL A 132 6.592 -7.776 1.061 1.00 72.34 N ATOM 1971 CA VAL A 132 5.842 -8.981 1.444 1.00 75.33 C ATOM 1972 C VAL A 132 5.322 -9.744 0.210 1.00 74.02 C ATOM 1973 O VAL A 132 5.296 -10.974 0.195 1.00 52.42 O ATOM 1974 CB VAL A 132 4.649 -8.638 2.376 1.00 73.12 C ATOM 1975 CG1 VAL A 132 3.872 -9.899 2.758 1.00 44.21 C ATOM 1976 CG2 VAL A 132 5.131 -7.901 3.626 1.00 15.22 C ATOM 0 H VAL A 132 6.169 -6.902 1.374 1.00 72.34 H new ATOM 0 HA VAL A 132 6.540 -9.620 1.984 1.00 75.33 H new ATOM 0 HB VAL A 132 3.975 -7.978 1.829 1.00 73.12 H new ATOM 0 HG11 VAL A 132 3.042 -9.631 3.411 1.00 44.21 H new ATOM 0 HG12 VAL A 132 3.486 -10.375 1.857 1.00 44.21 H new ATOM 0 HG13 VAL A 132 4.534 -10.591 3.279 1.00 44.21 H new ATOM 0 HG21 VAL A 132 4.278 -7.671 4.264 1.00 15.22 H new ATOM 0 HG22 VAL A 132 5.833 -8.531 4.172 1.00 15.22 H new ATOM 0 HG23 VAL A 132 5.626 -6.975 3.334 1.00 15.22 H new ATOM 1986 N VAL A 133 4.914 -9.007 -0.824 1.00 52.53 N ATOM 1987 CA VAL A 133 4.454 -9.618 -2.080 1.00 33.14 C ATOM 1988 C VAL A 133 5.585 -10.408 -2.764 1.00 45.02 C ATOM 1989 O VAL A 133 5.336 -11.369 -3.498 1.00 0.44 O ATOM 1990 CB VAL A 133 3.905 -8.548 -3.063 1.00 54.33 C ATOM 1991 CG1 VAL A 133 3.454 -9.178 -4.381 1.00 51.22 C ATOM 1992 CG2 VAL A 133 2.757 -7.772 -2.424 1.00 54.41 C ATOM 0 H VAL A 133 4.891 -7.987 -0.820 1.00 52.53 H new ATOM 0 HA VAL A 133 3.648 -10.305 -1.821 1.00 33.14 H new ATOM 0 HB VAL A 133 4.717 -7.855 -3.285 1.00 54.33 H new ATOM 0 HG11 VAL A 133 3.076 -8.401 -5.045 1.00 51.22 H new ATOM 0 HG12 VAL A 133 4.299 -9.679 -4.853 1.00 51.22 H new ATOM 0 HG13 VAL A 133 2.665 -9.904 -4.186 1.00 51.22 H new ATOM 0 HG21 VAL A 133 2.385 -7.027 -3.128 1.00 54.41 H new ATOM 0 HG22 VAL A 133 1.952 -8.460 -2.165 1.00 54.41 H new ATOM 0 HG23 VAL A 133 3.112 -7.274 -1.522 1.00 54.41 H new ATOM 2002 N GLN A 134 6.828 -10.007 -2.505 1.00 12.34 N ATOM 2003 CA GLN A 134 8.003 -10.687 -3.072 1.00 4.11 C ATOM 2004 C GLN A 134 8.378 -11.946 -2.263 1.00 73.42 C ATOM 2005 O GLN A 134 9.339 -12.649 -2.590 1.00 45.04 O ATOM 2006 CB GLN A 134 9.192 -9.716 -3.121 1.00 51.32 C ATOM 2007 CG GLN A 134 8.880 -8.407 -3.840 1.00 5.01 C ATOM 2008 CD GLN A 134 10.050 -7.440 -3.855 1.00 44.31 C ATOM 2009 OE1 GLN A 134 11.209 -7.839 -3.876 1.00 71.22 O ATOM 2010 NE2 GLN A 134 9.752 -6.155 -3.835 1.00 12.22 N ATOM 0 H GLN A 134 7.053 -9.213 -1.905 1.00 12.34 H new ATOM 0 HA GLN A 134 7.751 -11.008 -4.083 1.00 4.11 H new ATOM 0 HB2 GLN A 134 9.512 -9.495 -2.103 1.00 51.32 H new ATOM 0 HB3 GLN A 134 10.029 -10.204 -3.619 1.00 51.32 H new ATOM 0 HG2 GLN A 134 8.584 -8.625 -4.866 1.00 5.01 H new ATOM 0 HG3 GLN A 134 8.028 -7.929 -3.357 1.00 5.01 H new ATOM 0 HE21 GLN A 134 8.776 -5.858 -3.818 1.00 12.22 H new ATOM 0 HE22 GLN A 134 10.497 -5.459 -3.837 1.00 12.22 H new ATOM 2019 N ARG A 135 7.612 -12.219 -1.206 1.00 52.41 N ATOM 2020 CA ARG A 135 7.826 -13.400 -0.356 1.00 60.24 C ATOM 2021 C ARG A 135 6.903 -14.568 -0.771 1.00 72.25 C ATOM 2022 O ARG A 135 5.674 -14.475 -0.558 1.00 37.20 O ATOM 2023 CB ARG A 135 7.587 -13.030 1.117 1.00 63.13 C ATOM 2024 CG ARG A 135 8.533 -11.953 1.644 1.00 30.34 C ATOM 2025 CD ARG A 135 8.197 -11.561 3.080 1.00 74.41 C ATOM 2026 NE ARG A 135 9.171 -10.625 3.641 1.00 21.11 N ATOM 2027 CZ ARG A 135 8.943 -9.848 4.667 1.00 20.45 C ATOM 2028 NH1 ARG A 135 7.772 -9.809 5.220 1.00 34.34 N ATOM 2029 NH2 ARG A 135 9.889 -9.108 5.138 1.00 23.10 N ATOM 2030 OXT ARG A 135 7.414 -15.579 -1.305 1.00 37.20 O ATOM 0 H ARG A 135 6.829 -11.634 -0.913 1.00 52.41 H new ATOM 0 HA ARG A 135 8.857 -13.730 -0.484 1.00 60.24 H new ATOM 0 HB2 ARG A 135 6.559 -12.686 1.233 1.00 63.13 H new ATOM 0 HB3 ARG A 135 7.694 -13.926 1.729 1.00 63.13 H new ATOM 0 HG2 ARG A 135 9.560 -12.315 1.596 1.00 30.34 H new ATOM 0 HG3 ARG A 135 8.476 -11.073 1.003 1.00 30.34 H new ATOM 0 HD2 ARG A 135 7.205 -11.111 3.109 1.00 74.41 H new ATOM 0 HD3 ARG A 135 8.158 -12.457 3.700 1.00 74.41 H new ATOM 0 HE ARG A 135 10.090 -10.575 3.202 1.00 21.11 H new ATOM 0 HH11 ARG A 135 7.016 -10.389 4.855 1.00 34.34 H new ATOM 0 HH12 ARG A 135 7.606 -9.199 6.020 1.00 34.34 H new ATOM 0 HH21 ARG A 135 10.814 -9.129 4.710 1.00 23.10 H new ATOM 0 HH22 ARG A 135 9.711 -8.502 5.939 1.00 23.10 H new