USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 872 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 86 LYS NZ :NH3+ 175:sc= 2.13 (180deg=0) USER MOD Set 1.2: A 87 SER OG : rot -98:sc= 1.88 USER MOD Set 1.3: A 145 ASN : amide:sc= -0.853 K(o=3.2,f=-2!) USER MOD Set 2.1: A 53 TYR OH : rot -150:sc= 0.187 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 171:sc= -0.646 (180deg=-1.49) USER MOD Single : A 39 HIS : no HE2:sc= 0.472 K(o=0.47,f=-8.1!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 41 SER OG : rot -76:sc= 0.668 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.683 (180deg=0.143) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.04) USER MOD Single : A 68 THR OG1 : rot -79:sc= 0.96 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.495 F(o=-3.4!,f=-0.49) USER MOD Single : A 79 ASN : amide:sc= -0.857 K(o=-0.86,f=-7.4!) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= 1.05 (180deg=-0.196) USER MOD Single : A 84 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-5.2!) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0356 F(o=-1.8,f=-0.036) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0294) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -3.78 K(o=-3.8,f=-13!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 160:sc= 1.33 USER MOD Single : A 115 TYR OH : rot 180:sc= 0.39 USER MOD Single : A 116 ASN : amide:sc= -0.712 K(o=-0.71,f=-1.5) USER MOD Single : A 117 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.84) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 34:sc= 1.15 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.623 F(o=-1.2,f=-0.62) USER MOD Single : A 138 SER OG : rot 34:sc= 1.22 USER MOD Single : A 142 LYS NZ :NH3+ 150:sc= 1.19 (180deg=1.17) USER MOD Single : A 143 THR OG1 : rot -113:sc= -1.11 USER MOD Single : A 149 HIS : no HE2:sc= 0.675 K(o=0.68,f=-3.1!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 1.46 K(o=1.5,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -9.250 -14.539 -3.152 1.00 2.07 N ATOM 561 CA GLY A 37 -9.164 -13.773 -4.386 1.00 1.64 C ATOM 562 C GLY A 37 -10.560 -13.372 -4.845 1.00 1.45 C ATOM 563 O GLY A 37 -11.103 -12.375 -4.356 1.00 1.87 O ATOM 0 HA2 GLY A 37 -8.553 -12.884 -4.230 1.00 1.64 H new ATOM 0 HA3 GLY A 37 -8.674 -14.365 -5.159 1.00 1.64 H new ATOM 567 N GLU A 38 -11.132 -14.137 -5.774 1.00 1.73 N ATOM 568 CA GLU A 38 -12.514 -14.071 -6.211 1.00 1.77 C ATOM 569 C GLU A 38 -12.947 -12.636 -6.499 1.00 1.50 C ATOM 570 O GLU A 38 -12.601 -12.100 -7.546 1.00 1.48 O ATOM 571 CB GLU A 38 -13.433 -14.809 -5.228 1.00 2.09 C ATOM 572 CG GLU A 38 -13.084 -16.302 -5.168 1.00 2.75 C ATOM 573 CD GLU A 38 -14.043 -17.087 -4.285 1.00 3.52 C ATOM 574 OE1 GLU A 38 -13.640 -18.191 -3.864 1.00 4.70 O ATOM 575 OE2 GLU A 38 -15.166 -16.588 -4.052 1.00 3.67 O ATOM 0 H GLU A 38 -10.607 -14.860 -6.267 1.00 1.73 H new ATOM 0 HA GLU A 38 -12.603 -14.594 -7.163 1.00 1.77 H new ATOM 0 HB2 GLU A 38 -13.338 -14.369 -4.235 1.00 2.09 H new ATOM 0 HB3 GLU A 38 -14.472 -14.686 -5.533 1.00 2.09 H new ATOM 0 HG2 GLU A 38 -13.100 -16.717 -6.176 1.00 2.75 H new ATOM 0 HG3 GLU A 38 -12.068 -16.420 -4.791 1.00 2.75 H new ATOM 582 N HIS A 39 -13.704 -11.993 -5.600 1.00 1.53 N ATOM 583 CA HIS A 39 -14.348 -10.719 -5.900 1.00 1.56 C ATOM 584 C HIS A 39 -13.346 -9.587 -6.170 1.00 1.16 C ATOM 585 O HIS A 39 -13.757 -8.516 -6.611 1.00 1.19 O ATOM 586 CB HIS A 39 -15.413 -10.350 -4.851 1.00 2.06 C ATOM 587 CG HIS A 39 -16.743 -9.910 -5.434 1.00 3.29 C ATOM 588 ND1 HIS A 39 -17.975 -10.125 -4.860 1.00 4.02 N ATOM 589 CD2 HIS A 39 -16.969 -9.285 -6.637 1.00 4.82 C ATOM 590 CE1 HIS A 39 -18.913 -9.643 -5.689 1.00 5.49 C ATOM 591 NE2 HIS A 39 -18.353 -9.113 -6.788 1.00 6.06 N ATOM 0 H HIS A 39 -13.882 -12.340 -4.658 1.00 1.53 H new ATOM 0 HA HIS A 39 -14.880 -10.856 -6.841 1.00 1.56 H new ATOM 0 HB2 HIS A 39 -15.581 -11.211 -4.204 1.00 2.06 H new ATOM 0 HB3 HIS A 39 -15.024 -9.550 -4.222 1.00 2.06 H new ATOM 0 HD1 HIS A 39 -18.145 -10.573 -3.960 1.00 4.02 H new ATOM 0 HD2 HIS A 39 -16.212 -8.979 -7.344 1.00 4.82 H new ATOM 0 HE1 HIS A 39 -19.975 -9.677 -5.498 1.00 5.49 H new ATOM 599 N THR A 40 -12.049 -9.810 -5.929 1.00 1.22 N ATOM 600 CA THR A 40 -11.009 -9.005 -6.551 1.00 1.25 C ATOM 601 C THR A 40 -10.968 -9.314 -8.056 1.00 1.20 C ATOM 602 O THR A 40 -11.683 -8.687 -8.839 1.00 1.56 O ATOM 603 CB THR A 40 -9.657 -9.302 -5.880 1.00 1.52 C ATOM 604 OG1 THR A 40 -9.456 -10.695 -5.785 1.00 2.95 O ATOM 605 CG2 THR A 40 -9.572 -8.701 -4.480 1.00 1.95 C ATOM 0 H THR A 40 -11.702 -10.541 -5.308 1.00 1.22 H new ATOM 0 HA THR A 40 -11.223 -7.944 -6.422 1.00 1.25 H new ATOM 0 HB THR A 40 -8.885 -8.848 -6.502 1.00 1.52 H new ATOM 0 HG1 THR A 40 -8.592 -10.872 -5.358 1.00 2.95 H new ATOM 0 HG21 THR A 40 -8.601 -8.934 -4.042 1.00 1.95 H new ATOM 0 HG22 THR A 40 -9.692 -7.619 -4.540 1.00 1.95 H new ATOM 0 HG23 THR A 40 -10.362 -9.119 -3.856 1.00 1.95 H new ATOM 613 N SER A 41 -10.137 -10.287 -8.450 1.00 1.29 N ATOM 614 CA SER A 41 -9.863 -10.609 -9.857 1.00 1.42 C ATOM 615 C SER A 41 -11.137 -10.720 -10.706 1.00 1.57 C ATOM 616 O SER A 41 -11.185 -10.204 -11.820 1.00 1.66 O ATOM 617 CB SER A 41 -8.977 -11.861 -9.986 1.00 1.86 C ATOM 618 OG SER A 41 -7.633 -11.461 -10.216 1.00 2.95 O ATOM 0 H SER A 41 -9.630 -10.880 -7.793 1.00 1.29 H new ATOM 0 HA SER A 41 -9.305 -9.765 -10.263 1.00 1.42 H new ATOM 0 HB2 SER A 41 -9.040 -12.461 -9.078 1.00 1.86 H new ATOM 0 HB3 SER A 41 -9.328 -12.487 -10.807 1.00 1.86 H new ATOM 0 HG SER A 41 -7.532 -11.175 -11.148 1.00 2.95 H new ATOM 624 N PHE A 42 -12.172 -11.366 -10.168 1.00 1.73 N ATOM 625 CA PHE A 42 -13.473 -11.537 -10.801 1.00 2.02 C ATOM 626 C PHE A 42 -13.999 -10.265 -11.461 1.00 2.05 C ATOM 627 O PHE A 42 -14.496 -10.348 -12.582 1.00 2.33 O ATOM 628 CB PHE A 42 -14.483 -12.008 -9.751 1.00 2.16 C ATOM 629 CG PHE A 42 -15.918 -12.137 -10.225 1.00 2.62 C ATOM 630 CD1 PHE A 42 -16.372 -13.336 -10.805 1.00 4.05 C ATOM 631 CD2 PHE A 42 -16.795 -11.040 -10.111 1.00 2.42 C ATOM 632 CE1 PHE A 42 -17.687 -13.425 -11.295 1.00 4.59 C ATOM 633 CE2 PHE A 42 -18.092 -11.115 -10.644 1.00 2.86 C ATOM 634 CZ PHE A 42 -18.542 -12.310 -11.228 1.00 3.72 C ATOM 0 H PHE A 42 -12.122 -11.799 -9.246 1.00 1.73 H new ATOM 0 HA PHE A 42 -13.345 -12.276 -11.592 1.00 2.02 H new ATOM 0 HB2 PHE A 42 -14.158 -12.976 -9.370 1.00 2.16 H new ATOM 0 HB3 PHE A 42 -14.459 -11.311 -8.913 1.00 2.16 H new ATOM 0 HD1 PHE A 42 -15.711 -14.187 -10.874 1.00 4.05 H new ATOM 0 HD2 PHE A 42 -16.469 -10.139 -9.612 1.00 2.42 H new ATOM 0 HE1 PHE A 42 -18.041 -14.351 -11.723 1.00 4.59 H new ATOM 0 HE2 PHE A 42 -18.743 -10.254 -10.605 1.00 2.86 H new ATOM 0 HZ PHE A 42 -19.544 -12.373 -11.626 1.00 3.72 H new ATOM 644 N ASP A 43 -13.971 -9.127 -10.745 1.00 1.87 N ATOM 645 CA ASP A 43 -14.772 -7.953 -11.092 1.00 2.01 C ATOM 646 C ASP A 43 -14.584 -7.565 -12.558 1.00 1.97 C ATOM 647 O ASP A 43 -15.452 -7.824 -13.388 1.00 2.81 O ATOM 648 CB ASP A 43 -14.460 -6.783 -10.141 1.00 2.01 C ATOM 649 CG ASP A 43 -15.066 -5.479 -10.645 1.00 2.39 C ATOM 650 OD1 ASP A 43 -16.312 -5.373 -10.728 1.00 3.11 O ATOM 651 OD2 ASP A 43 -14.300 -4.583 -11.065 1.00 2.86 O ATOM 0 H ASP A 43 -13.393 -9.001 -9.914 1.00 1.87 H new ATOM 0 HA ASP A 43 -15.824 -8.208 -10.966 1.00 2.01 H new ATOM 0 HB2 ASP A 43 -14.849 -7.006 -9.147 1.00 2.01 H new ATOM 0 HB3 ASP A 43 -13.380 -6.670 -10.043 1.00 2.01 H new ATOM 656 N LYS A 44 -13.454 -6.927 -12.851 1.00 1.41 N ATOM 657 CA LYS A 44 -13.052 -6.435 -14.162 1.00 1.58 C ATOM 658 C LYS A 44 -11.550 -6.203 -14.111 1.00 1.60 C ATOM 659 O LYS A 44 -11.058 -5.094 -14.308 1.00 1.98 O ATOM 660 CB LYS A 44 -13.819 -5.155 -14.545 1.00 1.84 C ATOM 661 CG LYS A 44 -15.185 -5.469 -15.169 1.00 2.33 C ATOM 662 CD LYS A 44 -16.435 -5.093 -14.349 1.00 2.30 C ATOM 663 CE LYS A 44 -16.496 -3.627 -13.898 1.00 3.08 C ATOM 664 NZ LYS A 44 -16.112 -3.466 -12.480 1.00 3.89 N ATOM 0 H LYS A 44 -12.754 -6.729 -12.136 1.00 1.41 H new ATOM 0 HA LYS A 44 -13.294 -7.164 -14.935 1.00 1.58 H new ATOM 0 HB2 LYS A 44 -13.959 -4.537 -13.658 1.00 1.84 H new ATOM 0 HB3 LYS A 44 -13.224 -4.573 -15.249 1.00 1.84 H new ATOM 0 HG2 LYS A 44 -15.244 -4.957 -16.129 1.00 2.33 H new ATOM 0 HG3 LYS A 44 -15.225 -6.539 -15.375 1.00 2.33 H new ATOM 0 HD2 LYS A 44 -17.321 -5.312 -14.944 1.00 2.30 H new ATOM 0 HD3 LYS A 44 -16.478 -5.731 -13.467 1.00 2.30 H new ATOM 0 HE2 LYS A 44 -15.834 -3.028 -14.523 1.00 3.08 H new ATOM 0 HE3 LYS A 44 -17.506 -3.244 -14.046 1.00 3.08 H new ATOM 0 HZ1 LYS A 44 -16.327 -2.497 -12.170 1.00 3.89 H new ATOM 0 HZ2 LYS A 44 -16.645 -4.143 -11.897 1.00 3.89 H new ATOM 0 HZ3 LYS A 44 -15.093 -3.645 -12.374 1.00 3.89 H new ATOM 678 N LEU A 45 -10.840 -7.282 -13.796 1.00 1.56 N ATOM 679 CA LEU A 45 -9.413 -7.268 -13.502 1.00 1.51 C ATOM 680 C LEU A 45 -8.740 -8.523 -14.079 1.00 1.67 C ATOM 681 O LEU A 45 -9.405 -9.543 -14.261 1.00 2.47 O ATOM 682 CB LEU A 45 -9.207 -7.168 -11.982 1.00 1.57 C ATOM 683 CG LEU A 45 -9.617 -5.810 -11.379 1.00 1.41 C ATOM 684 CD1 LEU A 45 -9.570 -5.881 -9.849 1.00 1.55 C ATOM 685 CD2 LEU A 45 -8.703 -4.674 -11.857 1.00 2.19 C ATOM 0 H LEU A 45 -11.252 -8.213 -13.737 1.00 1.56 H new ATOM 0 HA LEU A 45 -8.949 -6.400 -13.971 1.00 1.51 H new ATOM 0 HB2 LEU A 45 -9.780 -7.957 -11.496 1.00 1.57 H new ATOM 0 HB3 LEU A 45 -8.157 -7.352 -11.756 1.00 1.57 H new ATOM 0 HG LEU A 45 -10.632 -5.597 -11.715 1.00 1.41 H new ATOM 0 HD11 LEU A 45 -9.861 -4.917 -9.431 1.00 1.55 H new ATOM 0 HD12 LEU A 45 -10.258 -6.651 -9.499 1.00 1.55 H new ATOM 0 HD13 LEU A 45 -8.558 -6.125 -9.527 1.00 1.55 H new ATOM 0 HD21 LEU A 45 -9.026 -3.734 -11.409 1.00 2.19 H new ATOM 0 HD22 LEU A 45 -7.676 -4.884 -11.559 1.00 2.19 H new ATOM 0 HD23 LEU A 45 -8.757 -4.596 -12.943 1.00 2.19 H new ATOM 697 N PRO A 46 -7.442 -8.449 -14.424 1.00 1.46 N ATOM 698 CA PRO A 46 -6.703 -9.571 -14.984 1.00 1.70 C ATOM 699 C PRO A 46 -6.300 -10.605 -13.927 1.00 1.35 C ATOM 700 O PRO A 46 -6.658 -10.505 -12.752 1.00 1.39 O ATOM 701 CB PRO A 46 -5.493 -8.955 -15.693 1.00 2.33 C ATOM 702 CG PRO A 46 -5.271 -7.625 -14.986 1.00 2.43 C ATOM 703 CD PRO A 46 -6.652 -7.228 -14.469 1.00 1.90 C ATOM 0 HA PRO A 46 -7.323 -10.137 -15.679 1.00 1.70 H new ATOM 0 HB2 PRO A 46 -4.617 -9.598 -15.613 1.00 2.33 H new ATOM 0 HB3 PRO A 46 -5.687 -8.812 -16.756 1.00 2.33 H new ATOM 0 HG2 PRO A 46 -4.556 -7.725 -14.170 1.00 2.43 H new ATOM 0 HG3 PRO A 46 -4.873 -6.875 -15.669 1.00 2.43 H new ATOM 0 HD2 PRO A 46 -6.581 -6.775 -13.480 1.00 1.90 H new ATOM 0 HD3 PRO A 46 -7.115 -6.490 -15.125 1.00 1.90 H new ATOM 711 N GLU A 47 -5.534 -11.603 -14.378 1.00 1.86 N ATOM 712 CA GLU A 47 -4.921 -12.628 -13.551 1.00 2.29 C ATOM 713 C GLU A 47 -4.051 -12.042 -12.437 1.00 2.31 C ATOM 714 O GLU A 47 -4.193 -12.382 -11.266 1.00 3.58 O ATOM 715 CB GLU A 47 -4.098 -13.580 -14.437 1.00 3.23 C ATOM 716 CG GLU A 47 -3.060 -12.932 -15.374 1.00 3.85 C ATOM 717 CD GLU A 47 -2.474 -13.943 -16.353 1.00 4.93 C ATOM 718 OE1 GLU A 47 -2.110 -13.505 -17.463 1.00 5.95 O ATOM 719 OE2 GLU A 47 -2.413 -15.138 -15.985 1.00 5.21 O ATOM 0 H GLU A 47 -5.320 -11.717 -15.369 1.00 1.86 H new ATOM 0 HA GLU A 47 -5.722 -13.181 -13.061 1.00 2.29 H new ATOM 0 HB2 GLU A 47 -3.577 -14.284 -13.788 1.00 3.23 H new ATOM 0 HB3 GLU A 47 -4.790 -14.161 -15.046 1.00 3.23 H new ATOM 0 HG2 GLU A 47 -3.528 -12.118 -15.928 1.00 3.85 H new ATOM 0 HG3 GLU A 47 -2.258 -12.493 -14.780 1.00 3.85 H new ATOM 726 N GLY A 48 -3.091 -11.192 -12.795 1.00 1.79 N ATOM 727 CA GLY A 48 -1.962 -10.937 -11.916 1.00 2.58 C ATOM 728 C GLY A 48 -0.923 -10.040 -12.573 1.00 1.36 C ATOM 729 O GLY A 48 -1.161 -9.505 -13.655 1.00 1.87 O ATOM 0 H GLY A 48 -3.075 -10.677 -13.675 1.00 1.79 H new ATOM 0 HA2 GLY A 48 -2.316 -10.470 -10.997 1.00 2.58 H new ATOM 0 HA3 GLY A 48 -1.499 -11.883 -11.635 1.00 2.58 H new ATOM 733 N GLY A 49 0.225 -9.897 -11.912 1.00 1.76 N ATOM 734 CA GLY A 49 1.466 -9.417 -12.489 1.00 1.22 C ATOM 735 C GLY A 49 2.008 -8.183 -11.774 1.00 1.39 C ATOM 736 O GLY A 49 3.051 -8.235 -11.125 1.00 2.12 O ATOM 0 H GLY A 49 0.312 -10.123 -10.921 1.00 1.76 H new ATOM 0 HA2 GLY A 49 2.211 -10.211 -12.450 1.00 1.22 H new ATOM 0 HA3 GLY A 49 1.306 -9.181 -13.541 1.00 1.22 H new ATOM 740 N ARG A 50 1.340 -7.043 -11.958 1.00 1.10 N ATOM 741 CA ARG A 50 1.640 -5.788 -11.288 1.00 1.16 C ATOM 742 C ARG A 50 0.362 -4.965 -11.278 1.00 1.30 C ATOM 743 O ARG A 50 -0.544 -5.220 -12.066 1.00 1.65 O ATOM 744 CB ARG A 50 2.732 -4.989 -12.017 1.00 1.14 C ATOM 745 CG ARG A 50 4.126 -5.619 -11.946 1.00 2.03 C ATOM 746 CD ARG A 50 5.178 -4.592 -12.379 1.00 2.63 C ATOM 747 NE ARG A 50 6.523 -5.183 -12.376 1.00 3.60 N ATOM 748 CZ ARG A 50 7.651 -4.525 -12.687 1.00 4.85 C ATOM 749 NH1 ARG A 50 7.606 -3.223 -12.998 1.00 5.53 N ATOM 750 NH2 ARG A 50 8.821 -5.175 -12.687 1.00 5.89 N ATOM 0 H ARG A 50 0.550 -6.971 -12.600 1.00 1.10 H new ATOM 0 HA ARG A 50 2.004 -6.002 -10.283 1.00 1.16 H new ATOM 0 HB2 ARG A 50 2.448 -4.879 -13.064 1.00 1.14 H new ATOM 0 HB3 ARG A 50 2.777 -3.986 -11.592 1.00 1.14 H new ATOM 0 HG2 ARG A 50 4.331 -5.959 -10.931 1.00 2.03 H new ATOM 0 HG3 ARG A 50 4.173 -6.496 -12.591 1.00 2.03 H new ATOM 0 HD2 ARG A 50 4.942 -4.222 -13.377 1.00 2.63 H new ATOM 0 HD3 ARG A 50 5.152 -3.734 -11.707 1.00 2.63 H new ATOM 0 HE ARG A 50 6.606 -6.166 -12.118 1.00 3.60 H new ATOM 0 HH11 ARG A 50 6.713 -2.729 -12.999 1.00 5.53 H new ATOM 0 HH12 ARG A 50 8.464 -2.725 -13.234 1.00 5.53 H new ATOM 0 HH21 ARG A 50 8.853 -6.167 -12.451 1.00 5.89 H new ATOM 0 HH22 ARG A 50 9.680 -4.679 -12.923 1.00 5.89 H new ATOM 764 N ALA A 51 0.330 -3.928 -10.443 1.00 1.58 N ATOM 765 CA ALA A 51 -0.703 -2.921 -10.523 1.00 1.57 C ATOM 766 C ALA A 51 -0.389 -1.977 -11.676 1.00 0.79 C ATOM 767 O ALA A 51 0.663 -2.065 -12.303 1.00 1.31 O ATOM 768 CB ALA A 51 -0.740 -2.135 -9.215 1.00 2.60 C ATOM 0 H ALA A 51 1.015 -3.771 -9.704 1.00 1.58 H new ATOM 0 HA ALA A 51 -1.671 -3.393 -10.690 1.00 1.57 H new ATOM 0 HB1 ALA A 51 -1.518 -1.374 -9.270 1.00 2.60 H new ATOM 0 HB2 ALA A 51 -0.954 -2.813 -8.389 1.00 2.60 H new ATOM 0 HB3 ALA A 51 0.225 -1.656 -9.051 1.00 2.60 H new ATOM 774 N THR A 52 -1.290 -1.029 -11.913 1.00 0.69 N ATOM 775 CA THR A 52 -0.954 0.187 -12.619 1.00 0.71 C ATOM 776 C THR A 52 -1.514 1.343 -11.785 1.00 1.01 C ATOM 777 O THR A 52 -2.648 1.774 -11.971 1.00 1.40 O ATOM 778 CB THR A 52 -1.434 0.100 -14.082 1.00 1.13 C ATOM 779 OG1 THR A 52 -1.188 1.312 -14.764 1.00 1.59 O ATOM 780 CG2 THR A 52 -2.907 -0.300 -14.255 1.00 1.33 C ATOM 0 H THR A 52 -2.265 -1.088 -11.620 1.00 0.69 H new ATOM 0 HA THR A 52 0.118 0.355 -12.718 1.00 0.71 H new ATOM 0 HB THR A 52 -0.848 -0.709 -14.519 1.00 1.13 H new ATOM 0 HG1 THR A 52 -1.498 1.235 -15.690 1.00 1.59 H new ATOM 0 HG21 THR A 52 -3.152 -0.335 -15.316 1.00 1.33 H new ATOM 0 HG22 THR A 52 -3.072 -1.282 -13.812 1.00 1.33 H new ATOM 0 HG23 THR A 52 -3.544 0.433 -13.759 1.00 1.33 H new ATOM 788 N TYR A 53 -0.736 1.775 -10.788 1.00 1.33 N ATOM 789 CA TYR A 53 -1.050 2.885 -9.891 1.00 1.78 C ATOM 790 C TYR A 53 0.034 3.956 -10.002 1.00 1.84 C ATOM 791 O TYR A 53 1.137 3.686 -10.474 1.00 2.60 O ATOM 792 CB TYR A 53 -1.076 2.418 -8.423 1.00 2.04 C ATOM 793 CG TYR A 53 -1.909 1.203 -8.070 1.00 1.82 C ATOM 794 CD1 TYR A 53 -1.545 0.429 -6.952 1.00 2.22 C ATOM 795 CD2 TYR A 53 -3.043 0.847 -8.821 1.00 2.92 C ATOM 796 CE1 TYR A 53 -2.286 -0.716 -6.614 1.00 2.39 C ATOM 797 CE2 TYR A 53 -3.698 -0.366 -8.561 1.00 3.19 C ATOM 798 CZ TYR A 53 -3.359 -1.120 -7.425 1.00 2.43 C ATOM 799 OH TYR A 53 -4.119 -2.203 -7.085 1.00 3.04 O ATOM 0 H TYR A 53 0.164 1.343 -10.578 1.00 1.33 H new ATOM 0 HA TYR A 53 -2.027 3.274 -10.178 1.00 1.78 H new ATOM 0 HB2 TYR A 53 -0.049 2.216 -8.120 1.00 2.04 H new ATOM 0 HB3 TYR A 53 -1.429 3.251 -7.815 1.00 2.04 H new ATOM 0 HD1 TYR A 53 -0.694 0.716 -6.352 1.00 2.22 H new ATOM 0 HD2 TYR A 53 -3.409 1.505 -9.595 1.00 2.92 H new ATOM 0 HE1 TYR A 53 -2.031 -1.284 -5.732 1.00 2.39 H new ATOM 0 HE2 TYR A 53 -4.464 -0.721 -9.235 1.00 3.19 H new ATOM 0 HH TYR A 53 -4.465 -2.628 -7.898 1.00 3.04 H new ATOM 809 N ARG A 54 -0.268 5.136 -9.467 1.00 1.41 N ATOM 810 CA ARG A 54 0.682 6.121 -8.980 1.00 1.26 C ATOM 811 C ARG A 54 0.020 6.702 -7.733 1.00 1.05 C ATOM 812 O ARG A 54 -1.209 6.734 -7.685 1.00 1.08 O ATOM 813 CB ARG A 54 0.895 7.219 -10.026 1.00 1.65 C ATOM 814 CG ARG A 54 1.557 6.673 -11.298 1.00 1.72 C ATOM 815 CD ARG A 54 2.260 7.810 -12.042 1.00 2.35 C ATOM 816 NE ARG A 54 2.748 7.384 -13.364 1.00 2.67 N ATOM 817 CZ ARG A 54 2.057 7.429 -14.517 1.00 3.18 C ATOM 818 NH1 ARG A 54 0.775 7.804 -14.543 1.00 4.00 N ATOM 819 NH2 ARG A 54 2.663 7.095 -15.663 1.00 4.15 N ATOM 0 H ARG A 54 -1.235 5.443 -9.358 1.00 1.41 H new ATOM 0 HA ARG A 54 1.661 5.688 -8.772 1.00 1.26 H new ATOM 0 HB2 ARG A 54 -0.064 7.670 -10.280 1.00 1.65 H new ATOM 0 HB3 ARG A 54 1.516 8.008 -9.603 1.00 1.65 H new ATOM 0 HG2 ARG A 54 2.276 5.895 -11.040 1.00 1.72 H new ATOM 0 HG3 ARG A 54 0.807 6.213 -11.942 1.00 1.72 H new ATOM 0 HD2 ARG A 54 1.571 8.646 -12.162 1.00 2.35 H new ATOM 0 HD3 ARG A 54 3.098 8.171 -11.445 1.00 2.35 H new ATOM 0 HE ARG A 54 3.700 7.020 -13.410 1.00 2.67 H new ATOM 0 HH11 ARG A 54 0.302 8.063 -13.677 1.00 4.00 H new ATOM 0 HH12 ARG A 54 0.269 7.831 -15.428 1.00 4.00 H new ATOM 0 HH21 ARG A 54 3.642 6.809 -15.658 1.00 4.15 H new ATOM 0 HH22 ARG A 54 2.146 7.127 -16.542 1.00 4.15 H new ATOM 833 N GLY A 55 0.774 7.119 -6.711 1.00 1.25 N ATOM 834 CA GLY A 55 0.130 7.651 -5.523 1.00 1.15 C ATOM 835 C GLY A 55 1.108 8.204 -4.501 1.00 1.10 C ATOM 836 O GLY A 55 2.303 7.906 -4.541 1.00 1.06 O ATOM 0 H GLY A 55 1.793 7.098 -6.686 1.00 1.25 H new ATOM 0 HA2 GLY A 55 -0.562 8.441 -5.817 1.00 1.15 H new ATOM 0 HA3 GLY A 55 -0.464 6.864 -5.058 1.00 1.15 H new ATOM 840 N THR A 56 0.577 8.998 -3.573 1.00 1.20 N ATOM 841 CA THR A 56 1.301 9.575 -2.463 1.00 1.19 C ATOM 842 C THR A 56 0.981 8.761 -1.210 1.00 0.79 C ATOM 843 O THR A 56 -0.176 8.419 -0.956 1.00 0.74 O ATOM 844 CB THR A 56 0.894 11.048 -2.309 1.00 1.55 C ATOM 845 OG1 THR A 56 -0.514 11.168 -2.320 1.00 2.66 O ATOM 846 CG2 THR A 56 1.460 11.887 -3.459 1.00 1.83 C ATOM 0 H THR A 56 -0.408 9.262 -3.582 1.00 1.20 H new ATOM 0 HA THR A 56 2.378 9.545 -2.631 1.00 1.19 H new ATOM 0 HB THR A 56 1.294 11.408 -1.361 1.00 1.55 H new ATOM 0 HG1 THR A 56 -0.763 12.111 -2.220 1.00 2.66 H new ATOM 0 HG21 THR A 56 1.161 12.927 -3.332 1.00 1.83 H new ATOM 0 HG22 THR A 56 2.548 11.820 -3.457 1.00 1.83 H new ATOM 0 HG23 THR A 56 1.075 11.512 -4.407 1.00 1.83 H new ATOM 854 N ALA A 57 2.019 8.447 -0.430 1.00 0.78 N ATOM 855 CA ALA A 57 1.877 7.895 0.903 1.00 0.63 C ATOM 856 C ALA A 57 2.296 9.014 1.847 1.00 0.72 C ATOM 857 O ALA A 57 3.379 8.971 2.426 1.00 0.99 O ATOM 858 CB ALA A 57 2.754 6.649 1.024 1.00 0.69 C ATOM 0 H ALA A 57 2.989 8.574 -0.718 1.00 0.78 H new ATOM 0 HA ALA A 57 0.863 7.573 1.139 1.00 0.63 H new ATOM 0 HB1 ALA A 57 2.652 6.228 2.024 1.00 0.69 H new ATOM 0 HB2 ALA A 57 2.441 5.910 0.286 1.00 0.69 H new ATOM 0 HB3 ALA A 57 3.795 6.919 0.848 1.00 0.69 H new ATOM 864 N PHE A 58 1.466 10.054 1.923 1.00 0.66 N ATOM 865 CA PHE A 58 1.827 11.328 2.531 1.00 0.75 C ATOM 866 C PHE A 58 1.610 11.264 4.038 1.00 0.72 C ATOM 867 O PHE A 58 0.613 10.717 4.504 1.00 0.67 O ATOM 868 CB PHE A 58 1.085 12.492 1.865 1.00 0.88 C ATOM 869 CG PHE A 58 -0.367 12.663 2.257 1.00 0.94 C ATOM 870 CD1 PHE A 58 -0.696 13.560 3.290 1.00 2.31 C ATOM 871 CD2 PHE A 58 -1.386 11.955 1.593 1.00 1.85 C ATOM 872 CE1 PHE A 58 -2.026 13.691 3.712 1.00 2.48 C ATOM 873 CE2 PHE A 58 -2.724 12.112 1.994 1.00 1.85 C ATOM 874 CZ PHE A 58 -3.044 12.968 3.063 1.00 1.32 C ATOM 0 H PHE A 58 0.513 10.032 1.559 1.00 0.66 H new ATOM 0 HA PHE A 58 2.887 11.518 2.365 1.00 0.75 H new ATOM 0 HB2 PHE A 58 1.615 13.416 2.098 1.00 0.88 H new ATOM 0 HB3 PHE A 58 1.136 12.359 0.784 1.00 0.88 H new ATOM 0 HD1 PHE A 58 0.078 14.149 3.759 1.00 2.31 H new ATOM 0 HD2 PHE A 58 -1.140 11.292 0.777 1.00 1.85 H new ATOM 0 HE1 PHE A 58 -2.270 14.347 4.535 1.00 2.48 H new ATOM 0 HE2 PHE A 58 -3.507 11.575 1.480 1.00 1.85 H new ATOM 0 HZ PHE A 58 -4.070 13.070 3.385 1.00 1.32 H new ATOM 884 N GLY A 59 2.556 11.800 4.806 1.00 0.82 N ATOM 885 CA GLY A 59 2.475 11.781 6.253 1.00 0.90 C ATOM 886 C GLY A 59 1.511 12.857 6.734 1.00 1.00 C ATOM 887 O GLY A 59 1.251 13.817 6.015 1.00 1.06 O ATOM 0 H GLY A 59 3.392 12.255 4.440 1.00 0.82 H new ATOM 0 HA2 GLY A 59 2.139 10.802 6.594 1.00 0.90 H new ATOM 0 HA3 GLY A 59 3.463 11.947 6.683 1.00 0.90 H new ATOM 891 N SER A 60 1.065 12.774 7.986 1.00 1.11 N ATOM 892 CA SER A 60 0.490 13.915 8.684 1.00 1.23 C ATOM 893 C SER A 60 1.420 15.135 8.595 1.00 1.21 C ATOM 894 O SER A 60 0.953 16.269 8.549 1.00 1.38 O ATOM 895 CB SER A 60 0.230 13.510 10.138 1.00 1.32 C ATOM 896 OG SER A 60 1.326 12.770 10.653 1.00 2.16 O ATOM 0 H SER A 60 1.093 11.918 8.540 1.00 1.11 H new ATOM 0 HA SER A 60 -0.452 14.203 8.217 1.00 1.23 H new ATOM 0 HB2 SER A 60 0.067 14.400 10.746 1.00 1.32 H new ATOM 0 HB3 SER A 60 -0.680 12.912 10.198 1.00 1.32 H new ATOM 0 HG SER A 60 1.144 12.521 11.583 1.00 2.16 H new ATOM 902 N ASP A 61 2.732 14.877 8.581 1.00 1.12 N ATOM 903 CA ASP A 61 3.789 15.876 8.450 1.00 1.18 C ATOM 904 C ASP A 61 4.203 16.092 6.979 1.00 1.10 C ATOM 905 O ASP A 61 5.164 16.798 6.694 1.00 1.15 O ATOM 906 CB ASP A 61 4.966 15.362 9.294 1.00 1.30 C ATOM 907 CG ASP A 61 6.103 16.366 9.421 1.00 1.53 C ATOM 908 OD1 ASP A 61 7.244 15.959 9.114 1.00 1.86 O ATOM 909 OD2 ASP A 61 5.818 17.492 9.881 1.00 2.53 O ATOM 0 H ASP A 61 3.097 13.928 8.664 1.00 1.12 H new ATOM 0 HA ASP A 61 3.445 16.850 8.798 1.00 1.18 H new ATOM 0 HB2 ASP A 61 4.605 15.106 10.290 1.00 1.30 H new ATOM 0 HB3 ASP A 61 5.350 14.444 8.848 1.00 1.30 H new ATOM 914 N ASP A 62 3.553 15.401 6.032 1.00 1.04 N ATOM 915 CA ASP A 62 3.907 15.305 4.616 1.00 1.21 C ATOM 916 C ASP A 62 5.290 14.742 4.308 1.00 1.23 C ATOM 917 O ASP A 62 5.659 14.540 3.151 1.00 1.76 O ATOM 918 CB ASP A 62 3.554 16.579 3.830 1.00 1.57 C ATOM 919 CG ASP A 62 2.272 16.392 3.033 1.00 2.75 C ATOM 920 OD1 ASP A 62 2.348 15.675 2.012 1.00 2.88 O ATOM 921 OD2 ASP A 62 1.240 16.952 3.459 1.00 4.23 O ATOM 0 H ASP A 62 2.715 14.862 6.252 1.00 1.04 H new ATOM 0 HA ASP A 62 3.255 14.519 4.234 1.00 1.21 H new ATOM 0 HB2 ASP A 62 3.439 17.415 4.519 1.00 1.57 H new ATOM 0 HB3 ASP A 62 4.372 16.832 3.155 1.00 1.57 H new ATOM 926 N ALA A 63 6.010 14.333 5.343 1.00 1.17 N ATOM 927 CA ALA A 63 7.294 13.677 5.246 1.00 1.21 C ATOM 928 C ALA A 63 7.087 12.197 4.926 1.00 1.00 C ATOM 929 O ALA A 63 7.585 11.320 5.627 1.00 1.08 O ATOM 930 CB ALA A 63 7.879 13.842 6.639 1.00 1.47 C ATOM 0 H ALA A 63 5.699 14.456 6.307 1.00 1.17 H new ATOM 0 HA ALA A 63 7.937 14.086 4.467 1.00 1.21 H new ATOM 0 HB1 ALA A 63 8.863 13.376 6.678 1.00 1.47 H new ATOM 0 HB2 ALA A 63 7.971 14.903 6.872 1.00 1.47 H new ATOM 0 HB3 ALA A 63 7.223 13.366 7.368 1.00 1.47 H new ATOM 936 N GLY A 64 6.362 11.921 3.846 1.00 0.86 N ATOM 937 CA GLY A 64 5.783 10.614 3.590 1.00 0.84 C ATOM 938 C GLY A 64 6.443 9.949 2.383 1.00 0.79 C ATOM 939 O GLY A 64 7.286 10.543 1.705 1.00 0.96 O ATOM 0 H GLY A 64 6.160 12.608 3.119 1.00 0.86 H new ATOM 0 HA2 GLY A 64 5.903 9.981 4.469 1.00 0.84 H new ATOM 0 HA3 GLY A 64 4.712 10.715 3.414 1.00 0.84 H new ATOM 943 N GLY A 65 6.050 8.712 2.086 1.00 0.95 N ATOM 944 CA GLY A 65 6.515 7.949 0.952 1.00 1.03 C ATOM 945 C GLY A 65 5.811 8.348 -0.336 1.00 0.89 C ATOM 946 O GLY A 65 4.969 9.254 -0.356 1.00 1.28 O ATOM 0 H GLY A 65 5.374 8.204 2.656 1.00 0.95 H new ATOM 0 HA2 GLY A 65 7.589 8.092 0.836 1.00 1.03 H new ATOM 0 HA3 GLY A 65 6.353 6.888 1.139 1.00 1.03 H new ATOM 950 N LYS A 66 6.203 7.735 -1.449 1.00 0.88 N ATOM 951 CA LYS A 66 5.360 7.671 -2.633 1.00 1.01 C ATOM 952 C LYS A 66 5.121 6.196 -2.946 1.00 0.78 C ATOM 953 O LYS A 66 5.997 5.372 -2.693 1.00 1.00 O ATOM 954 CB LYS A 66 5.998 8.425 -3.802 1.00 1.55 C ATOM 955 CG LYS A 66 6.036 9.946 -3.570 1.00 2.03 C ATOM 956 CD LYS A 66 7.432 10.516 -3.261 1.00 3.01 C ATOM 957 CE LYS A 66 7.920 10.429 -1.804 1.00 4.08 C ATOM 958 NZ LYS A 66 6.996 11.099 -0.862 1.00 6.26 N ATOM 0 H LYS A 66 7.106 7.273 -1.553 1.00 0.88 H new ATOM 0 HA LYS A 66 4.402 8.161 -2.456 1.00 1.01 H new ATOM 0 HB2 LYS A 66 7.013 8.059 -3.956 1.00 1.55 H new ATOM 0 HB3 LYS A 66 5.441 8.213 -4.714 1.00 1.55 H new ATOM 0 HG2 LYS A 66 5.643 10.445 -4.456 1.00 2.03 H new ATOM 0 HG3 LYS A 66 5.368 10.190 -2.744 1.00 2.03 H new ATOM 0 HD2 LYS A 66 8.155 9.998 -3.891 1.00 3.01 H new ATOM 0 HD3 LYS A 66 7.442 11.564 -3.559 1.00 3.01 H new ATOM 0 HE2 LYS A 66 8.028 9.382 -1.521 1.00 4.08 H new ATOM 0 HE3 LYS A 66 8.908 10.884 -1.726 1.00 4.08 H new ATOM 0 HZ1 LYS A 66 7.348 10.985 0.110 1.00 6.26 H new ATOM 0 HZ2 LYS A 66 6.938 12.111 -1.093 1.00 6.26 H new ATOM 0 HZ3 LYS A 66 6.051 10.672 -0.940 1.00 6.26 H new ATOM 972 N LEU A 67 3.919 5.861 -3.422 1.00 0.73 N ATOM 973 CA LEU A 67 3.499 4.485 -3.629 1.00 0.71 C ATOM 974 C LEU A 67 3.897 4.039 -5.031 1.00 0.76 C ATOM 975 O LEU A 67 3.597 4.728 -6.006 1.00 1.15 O ATOM 976 CB LEU A 67 1.980 4.370 -3.447 1.00 0.73 C ATOM 977 CG LEU A 67 1.465 2.927 -3.613 1.00 0.84 C ATOM 978 CD1 LEU A 67 1.900 2.025 -2.451 1.00 0.88 C ATOM 979 CD2 LEU A 67 -0.062 2.951 -3.715 1.00 0.90 C ATOM 0 H LEU A 67 3.209 6.548 -3.675 1.00 0.73 H new ATOM 0 HA LEU A 67 3.988 3.842 -2.897 1.00 0.71 H new ATOM 0 HB2 LEU A 67 1.709 4.736 -2.457 1.00 0.73 H new ATOM 0 HB3 LEU A 67 1.482 5.014 -4.172 1.00 0.73 H new ATOM 0 HG LEU A 67 1.898 2.512 -4.523 1.00 0.84 H new ATOM 0 HD11 LEU A 67 1.515 1.017 -2.609 1.00 0.88 H new ATOM 0 HD12 LEU A 67 2.988 1.994 -2.402 1.00 0.88 H new ATOM 0 HD13 LEU A 67 1.506 2.421 -1.515 1.00 0.88 H new ATOM 0 HD21 LEU A 67 -0.435 1.934 -3.833 1.00 0.90 H new ATOM 0 HD22 LEU A 67 -0.480 3.388 -2.808 1.00 0.90 H new ATOM 0 HD23 LEU A 67 -0.360 3.548 -4.577 1.00 0.90 H new ATOM 991 N THR A 68 4.527 2.868 -5.129 1.00 0.62 N ATOM 992 CA THR A 68 4.863 2.235 -6.391 1.00 0.64 C ATOM 993 C THR A 68 3.864 1.124 -6.725 1.00 0.73 C ATOM 994 O THR A 68 3.189 0.580 -5.854 1.00 1.07 O ATOM 995 CB THR A 68 6.320 1.767 -6.332 1.00 0.79 C ATOM 996 OG1 THR A 68 6.596 1.136 -5.091 1.00 1.94 O ATOM 997 CG2 THR A 68 7.217 2.997 -6.521 1.00 1.68 C ATOM 0 H THR A 68 4.821 2.328 -4.315 1.00 0.62 H new ATOM 0 HA THR A 68 4.783 2.945 -7.214 1.00 0.64 H new ATOM 0 HB THR A 68 6.510 1.036 -7.118 1.00 0.79 H new ATOM 0 HG1 THR A 68 6.734 1.818 -4.401 1.00 1.94 H new ATOM 0 HG21 THR A 68 8.263 2.694 -6.483 1.00 1.68 H new ATOM 0 HG22 THR A 68 7.007 3.456 -7.487 1.00 1.68 H new ATOM 0 HG23 THR A 68 7.019 3.717 -5.727 1.00 1.68 H new ATOM 1005 N TYR A 69 3.714 0.834 -8.017 1.00 0.61 N ATOM 1006 CA TYR A 69 2.680 -0.052 -8.519 1.00 0.62 C ATOM 1007 C TYR A 69 3.122 -1.512 -8.390 1.00 0.59 C ATOM 1008 O TYR A 69 3.933 -1.997 -9.178 1.00 0.64 O ATOM 1009 CB TYR A 69 2.316 0.364 -9.950 1.00 0.67 C ATOM 1010 CG TYR A 69 3.429 0.314 -10.987 1.00 0.71 C ATOM 1011 CD1 TYR A 69 4.306 1.403 -11.157 1.00 2.11 C ATOM 1012 CD2 TYR A 69 3.588 -0.829 -11.792 1.00 1.81 C ATOM 1013 CE1 TYR A 69 5.413 1.289 -12.018 1.00 2.27 C ATOM 1014 CE2 TYR A 69 4.663 -0.924 -12.689 1.00 1.95 C ATOM 1015 CZ TYR A 69 5.603 0.112 -12.764 1.00 1.34 C ATOM 1016 OH TYR A 69 6.729 -0.071 -13.513 1.00 1.90 O ATOM 0 H TYR A 69 4.316 1.215 -8.747 1.00 0.61 H new ATOM 0 HA TYR A 69 1.772 0.034 -7.922 1.00 0.62 H new ATOM 0 HB2 TYR A 69 1.504 -0.277 -10.293 1.00 0.67 H new ATOM 0 HB3 TYR A 69 1.927 1.382 -9.919 1.00 0.67 H new ATOM 0 HD1 TYR A 69 4.129 2.326 -10.626 1.00 2.11 H new ATOM 0 HD2 TYR A 69 2.878 -1.639 -11.719 1.00 1.81 H new ATOM 0 HE1 TYR A 69 6.116 2.104 -12.106 1.00 2.27 H new ATOM 0 HE2 TYR A 69 4.765 -1.794 -13.320 1.00 1.95 H new ATOM 0 HH TYR A 69 6.687 -0.943 -13.959 1.00 1.90 H new ATOM 1026 N THR A 70 2.616 -2.231 -7.385 1.00 0.61 N ATOM 1027 CA THR A 70 2.975 -3.631 -7.193 1.00 0.66 C ATOM 1028 C THR A 70 1.860 -4.384 -6.462 1.00 0.71 C ATOM 1029 O THR A 70 1.844 -4.403 -5.232 1.00 0.80 O ATOM 1030 CB THR A 70 4.304 -3.724 -6.415 1.00 0.76 C ATOM 1031 OG1 THR A 70 5.296 -2.903 -7.003 1.00 1.05 O ATOM 1032 CG2 THR A 70 4.838 -5.160 -6.390 1.00 0.83 C ATOM 0 H THR A 70 1.959 -1.865 -6.696 1.00 0.61 H new ATOM 0 HA THR A 70 3.105 -4.099 -8.169 1.00 0.66 H new ATOM 0 HB THR A 70 4.093 -3.390 -5.399 1.00 0.76 H new ATOM 0 HG1 THR A 70 6.128 -2.978 -6.491 1.00 1.05 H new ATOM 0 HG21 THR A 70 5.775 -5.190 -5.834 1.00 0.83 H new ATOM 0 HG22 THR A 70 4.109 -5.811 -5.908 1.00 0.83 H new ATOM 0 HG23 THR A 70 5.010 -5.502 -7.411 1.00 0.83 H new ATOM 1040 N ILE A 71 0.940 -5.001 -7.216 1.00 0.74 N ATOM 1041 CA ILE A 71 -0.033 -5.969 -6.716 1.00 0.78 C ATOM 1042 C ILE A 71 -0.180 -7.050 -7.787 1.00 0.81 C ATOM 1043 O ILE A 71 0.031 -6.746 -8.959 1.00 1.04 O ATOM 1044 CB ILE A 71 -1.389 -5.314 -6.399 1.00 0.80 C ATOM 1045 CG1 ILE A 71 -2.335 -5.153 -7.597 1.00 0.92 C ATOM 1046 CG2 ILE A 71 -1.188 -3.919 -5.792 1.00 1.04 C ATOM 1047 CD1 ILE A 71 -3.165 -6.379 -7.957 1.00 1.40 C ATOM 0 H ILE A 71 0.854 -4.832 -8.218 1.00 0.74 H new ATOM 0 HA ILE A 71 0.316 -6.397 -5.776 1.00 0.78 H new ATOM 0 HB ILE A 71 -1.856 -6.009 -5.701 1.00 0.80 H new ATOM 0 HG12 ILE A 71 -3.014 -4.326 -7.391 1.00 0.92 H new ATOM 0 HG13 ILE A 71 -1.743 -4.870 -8.468 1.00 0.92 H new ATOM 0 HG21 ILE A 71 -2.159 -3.473 -5.575 1.00 1.04 H new ATOM 0 HG22 ILE A 71 -0.613 -4.003 -4.870 1.00 1.04 H new ATOM 0 HG23 ILE A 71 -0.649 -3.289 -6.499 1.00 1.04 H new ATOM 0 HD11 ILE A 71 -3.796 -6.152 -8.816 1.00 1.40 H new ATOM 0 HD12 ILE A 71 -2.502 -7.208 -8.203 1.00 1.40 H new ATOM 0 HD13 ILE A 71 -3.792 -6.655 -7.110 1.00 1.40 H new ATOM 1059 N ASP A 72 -0.614 -8.256 -7.414 1.00 0.91 N ATOM 1060 CA ASP A 72 -1.016 -9.298 -8.349 1.00 0.95 C ATOM 1061 C ASP A 72 -2.474 -9.616 -8.058 1.00 1.06 C ATOM 1062 O ASP A 72 -2.804 -10.040 -6.951 1.00 1.19 O ATOM 1063 CB ASP A 72 -0.152 -10.552 -8.213 1.00 0.93 C ATOM 1064 CG ASP A 72 1.275 -10.327 -8.660 1.00 1.98 C ATOM 1065 OD1 ASP A 72 1.549 -10.761 -9.797 1.00 2.77 O ATOM 1066 OD2 ASP A 72 2.040 -9.727 -7.874 1.00 3.17 O ATOM 0 H ASP A 72 -0.696 -8.536 -6.437 1.00 0.91 H new ATOM 0 HA ASP A 72 -0.885 -8.949 -9.373 1.00 0.95 H new ATOM 0 HB2 ASP A 72 -0.156 -10.880 -7.174 1.00 0.93 H new ATOM 0 HB3 ASP A 72 -0.591 -11.357 -8.803 1.00 0.93 H new ATOM 1071 N PHE A 73 -3.333 -9.324 -9.033 1.00 1.15 N ATOM 1072 CA PHE A 73 -4.783 -9.311 -8.957 1.00 1.27 C ATOM 1073 C PHE A 73 -5.375 -10.538 -8.276 1.00 1.62 C ATOM 1074 O PHE A 73 -6.233 -10.375 -7.411 1.00 2.04 O ATOM 1075 CB PHE A 73 -5.333 -9.121 -10.366 1.00 1.19 C ATOM 1076 CG PHE A 73 -4.925 -7.794 -10.963 1.00 1.03 C ATOM 1077 CD1 PHE A 73 -3.789 -7.722 -11.783 1.00 1.90 C ATOM 1078 CD2 PHE A 73 -5.540 -6.610 -10.522 1.00 2.07 C ATOM 1079 CE1 PHE A 73 -3.299 -6.479 -12.202 1.00 2.30 C ATOM 1080 CE2 PHE A 73 -5.020 -5.361 -10.902 1.00 2.05 C ATOM 1081 CZ PHE A 73 -3.909 -5.295 -11.759 1.00 1.65 C ATOM 0 H PHE A 73 -3.003 -9.072 -9.965 1.00 1.15 H new ATOM 0 HA PHE A 73 -5.083 -8.480 -8.319 1.00 1.27 H new ATOM 0 HB2 PHE A 73 -4.978 -9.930 -11.005 1.00 1.19 H new ATOM 0 HB3 PHE A 73 -6.421 -9.188 -10.342 1.00 1.19 H new ATOM 0 HD1 PHE A 73 -3.290 -8.629 -12.092 1.00 1.90 H new ATOM 0 HD2 PHE A 73 -6.414 -6.660 -9.890 1.00 2.07 H new ATOM 0 HE1 PHE A 73 -2.450 -6.431 -12.868 1.00 2.30 H new ATOM 0 HE2 PHE A 73 -5.474 -4.452 -10.535 1.00 2.05 H new ATOM 0 HZ PHE A 73 -3.525 -4.336 -12.076 1.00 1.65 H new ATOM 1091 N ALA A 74 -4.898 -11.728 -8.658 1.00 1.62 N ATOM 1092 CA ALA A 74 -5.419 -13.021 -8.228 1.00 1.86 C ATOM 1093 C ALA A 74 -5.757 -13.027 -6.742 1.00 1.78 C ATOM 1094 O ALA A 74 -6.823 -13.480 -6.351 1.00 2.08 O ATOM 1095 CB ALA A 74 -4.396 -14.121 -8.535 1.00 1.96 C ATOM 0 H ALA A 74 -4.109 -11.815 -9.299 1.00 1.62 H new ATOM 0 HA ALA A 74 -6.340 -13.210 -8.779 1.00 1.86 H new ATOM 0 HB1 ALA A 74 -4.790 -15.085 -8.212 1.00 1.96 H new ATOM 0 HB2 ALA A 74 -4.203 -14.149 -9.607 1.00 1.96 H new ATOM 0 HB3 ALA A 74 -3.467 -13.912 -8.004 1.00 1.96 H new ATOM 1101 N ALA A 75 -4.825 -12.539 -5.922 1.00 1.45 N ATOM 1102 CA ALA A 75 -4.956 -12.546 -4.468 1.00 1.40 C ATOM 1103 C ALA A 75 -4.780 -11.147 -3.845 1.00 1.35 C ATOM 1104 O ALA A 75 -5.279 -10.894 -2.744 1.00 1.51 O ATOM 1105 CB ALA A 75 -4.026 -13.626 -3.913 1.00 1.26 C ATOM 0 H ALA A 75 -3.953 -12.126 -6.252 1.00 1.45 H new ATOM 0 HA ALA A 75 -5.975 -12.805 -4.181 1.00 1.40 H new ATOM 0 HB1 ALA A 75 -4.106 -13.651 -2.826 1.00 1.26 H new ATOM 0 HB2 ALA A 75 -4.311 -14.596 -4.320 1.00 1.26 H new ATOM 0 HB3 ALA A 75 -2.998 -13.401 -4.196 1.00 1.26 H new ATOM 1111 N LYS A 76 -4.175 -10.210 -4.591 1.00 1.21 N ATOM 1112 CA LYS A 76 -4.170 -8.781 -4.332 1.00 1.16 C ATOM 1113 C LYS A 76 -3.196 -8.423 -3.211 1.00 1.09 C ATOM 1114 O LYS A 76 -3.567 -7.879 -2.174 1.00 1.30 O ATOM 1115 CB LYS A 76 -5.612 -8.303 -4.166 1.00 1.35 C ATOM 1116 CG LYS A 76 -5.935 -6.893 -4.675 1.00 1.71 C ATOM 1117 CD LYS A 76 -5.576 -5.783 -3.673 1.00 2.99 C ATOM 1118 CE LYS A 76 -4.504 -4.817 -4.184 1.00 4.02 C ATOM 1119 NZ LYS A 76 -4.951 -4.112 -5.400 1.00 4.62 N ATOM 0 H LYS A 76 -3.652 -10.452 -5.432 1.00 1.21 H new ATOM 0 HA LYS A 76 -3.775 -8.223 -5.181 1.00 1.16 H new ATOM 0 HB2 LYS A 76 -6.265 -9.008 -4.680 1.00 1.35 H new ATOM 0 HB3 LYS A 76 -5.865 -8.348 -3.107 1.00 1.35 H new ATOM 0 HG2 LYS A 76 -5.396 -6.719 -5.606 1.00 1.71 H new ATOM 0 HG3 LYS A 76 -6.999 -6.833 -4.906 1.00 1.71 H new ATOM 0 HD2 LYS A 76 -6.476 -5.218 -3.432 1.00 2.99 H new ATOM 0 HD3 LYS A 76 -5.229 -6.240 -2.746 1.00 2.99 H new ATOM 0 HE2 LYS A 76 -4.266 -4.091 -3.407 1.00 4.02 H new ATOM 0 HE3 LYS A 76 -3.588 -5.367 -4.397 1.00 4.02 H new ATOM 0 HZ1 LYS A 76 -4.273 -3.359 -5.634 1.00 4.62 H new ATOM 0 HZ2 LYS A 76 -5.008 -4.785 -6.191 1.00 4.62 H new ATOM 0 HZ3 LYS A 76 -5.888 -3.694 -5.234 1.00 4.62 H new ATOM 1133 N GLN A 77 -1.911 -8.641 -3.492 1.00 0.91 N ATOM 1134 CA GLN A 77 -0.798 -8.345 -2.603 1.00 0.87 C ATOM 1135 C GLN A 77 -0.505 -6.857 -2.737 1.00 0.98 C ATOM 1136 O GLN A 77 0.455 -6.437 -3.376 1.00 1.65 O ATOM 1137 CB GLN A 77 0.428 -9.249 -2.837 1.00 1.04 C ATOM 1138 CG GLN A 77 0.620 -9.817 -4.251 1.00 1.28 C ATOM 1139 CD GLN A 77 -0.085 -11.167 -4.390 1.00 1.05 C ATOM 1140 OE1 GLN A 77 -1.330 -11.211 -4.865 1.00 1.68 O flip ATOM 1141 NE2 GLN A 77 0.482 -12.180 -3.992 1.00 0.93 N flip ATOM 0 H GLN A 77 -1.610 -9.044 -4.380 1.00 0.91 H new ATOM 0 HA GLN A 77 -1.068 -8.572 -1.572 1.00 0.87 H new ATOM 0 HB2 GLN A 77 1.321 -8.681 -2.577 1.00 1.04 H new ATOM 0 HB3 GLN A 77 0.368 -10.086 -2.142 1.00 1.04 H new ATOM 0 HG2 GLN A 77 0.224 -9.117 -4.987 1.00 1.28 H new ATOM 0 HG3 GLN A 77 1.683 -9.933 -4.461 1.00 1.28 H new ATOM 0 HE21 GLN A 77 1.435 -12.123 -3.633 1.00 0.93 H new ATOM 0 HE22 GLN A 77 0.000 -13.079 -4.021 1.00 0.93 H new ATOM 1150 N GLY A 78 -1.423 -6.067 -2.192 1.00 1.26 N ATOM 1151 CA GLY A 78 -1.491 -4.627 -2.347 1.00 1.51 C ATOM 1152 C GLY A 78 -0.318 -3.859 -1.735 1.00 1.12 C ATOM 1153 O GLY A 78 -0.523 -3.130 -0.767 1.00 1.34 O ATOM 0 H GLY A 78 -2.172 -6.434 -1.604 1.00 1.26 H new ATOM 0 HA2 GLY A 78 -1.545 -4.392 -3.410 1.00 1.51 H new ATOM 0 HA3 GLY A 78 -2.416 -4.270 -1.894 1.00 1.51 H new ATOM 1157 N ASN A 79 0.902 -4.018 -2.265 1.00 0.83 N ATOM 1158 CA ASN A 79 2.113 -3.774 -1.493 1.00 0.78 C ATOM 1159 C ASN A 79 3.174 -3.099 -2.353 1.00 0.93 C ATOM 1160 O ASN A 79 4.124 -3.727 -2.813 1.00 1.82 O ATOM 1161 CB ASN A 79 2.594 -5.102 -0.894 1.00 0.93 C ATOM 1162 CG ASN A 79 1.505 -5.737 -0.035 1.00 1.35 C ATOM 1163 OD1 ASN A 79 1.047 -6.845 -0.301 1.00 2.74 O ATOM 1164 ND2 ASN A 79 1.021 -5.016 0.969 1.00 0.98 N ATOM 0 H ASN A 79 1.069 -4.315 -3.226 1.00 0.83 H new ATOM 0 HA ASN A 79 1.905 -3.087 -0.673 1.00 0.78 H new ATOM 0 HB2 ASN A 79 2.876 -5.786 -1.695 1.00 0.93 H new ATOM 0 HB3 ASN A 79 3.486 -4.932 -0.291 1.00 0.93 H new ATOM 0 HD21 ASN A 79 0.255 -5.380 1.536 1.00 0.98 H new ATOM 0 HD22 ASN A 79 1.415 -4.098 1.174 1.00 0.98 H new ATOM 1171 N GLY A 80 3.014 -1.789 -2.538 1.00 0.73 N ATOM 1172 CA GLY A 80 3.989 -0.947 -3.203 1.00 0.73 C ATOM 1173 C GLY A 80 5.068 -0.533 -2.214 1.00 0.75 C ATOM 1174 O GLY A 80 4.797 -0.347 -1.033 1.00 0.98 O ATOM 0 H GLY A 80 2.187 -1.282 -2.222 1.00 0.73 H new ATOM 0 HA2 GLY A 80 4.436 -1.483 -4.040 1.00 0.73 H new ATOM 0 HA3 GLY A 80 3.501 -0.064 -3.614 1.00 0.73 H new ATOM 1178 N LYS A 81 6.296 -0.366 -2.690 1.00 0.73 N ATOM 1179 CA LYS A 81 7.396 0.080 -1.844 1.00 0.73 C ATOM 1180 C LYS A 81 7.308 1.599 -1.659 1.00 0.80 C ATOM 1181 O LYS A 81 7.028 2.319 -2.620 1.00 0.99 O ATOM 1182 CB LYS A 81 8.726 -0.328 -2.482 1.00 1.02 C ATOM 1183 CG LYS A 81 8.907 -1.852 -2.513 1.00 1.73 C ATOM 1184 CD LYS A 81 10.034 -2.304 -3.456 1.00 1.99 C ATOM 1185 CE LYS A 81 11.382 -1.584 -3.282 1.00 2.46 C ATOM 1186 NZ LYS A 81 11.934 -1.711 -1.919 1.00 3.49 N ATOM 0 H LYS A 81 6.556 -0.534 -3.662 1.00 0.73 H new ATOM 0 HA LYS A 81 7.332 -0.389 -0.862 1.00 0.73 H new ATOM 0 HB2 LYS A 81 8.776 0.063 -3.498 1.00 1.02 H new ATOM 0 HB3 LYS A 81 9.548 0.123 -1.926 1.00 1.02 H new ATOM 0 HG2 LYS A 81 9.120 -2.208 -1.505 1.00 1.73 H new ATOM 0 HG3 LYS A 81 7.972 -2.317 -2.824 1.00 1.73 H new ATOM 0 HD2 LYS A 81 10.194 -3.373 -3.314 1.00 1.99 H new ATOM 0 HD3 LYS A 81 9.699 -2.165 -4.484 1.00 1.99 H new ATOM 0 HE2 LYS A 81 12.098 -1.989 -3.997 1.00 2.46 H new ATOM 0 HE3 LYS A 81 11.256 -0.528 -3.520 1.00 2.46 H new ATOM 0 HZ1 LYS A 81 12.953 -1.501 -1.936 1.00 3.49 H new ATOM 0 HZ2 LYS A 81 11.453 -1.041 -1.286 1.00 3.49 H new ATOM 0 HZ3 LYS A 81 11.786 -2.681 -1.573 1.00 3.49 H new ATOM 1200 N ILE A 82 7.550 2.063 -0.428 1.00 0.83 N ATOM 1201 CA ILE A 82 7.676 3.461 -0.039 1.00 0.90 C ATOM 1202 C ILE A 82 9.167 3.802 -0.014 1.00 0.87 C ATOM 1203 O ILE A 82 9.870 3.595 0.973 1.00 1.14 O ATOM 1204 CB ILE A 82 6.958 3.707 1.309 1.00 1.01 C ATOM 1205 CG1 ILE A 82 5.455 3.883 1.030 1.00 1.54 C ATOM 1206 CG2 ILE A 82 7.560 4.883 2.104 1.00 1.42 C ATOM 1207 CD1 ILE A 82 4.598 3.833 2.301 1.00 2.00 C ATOM 0 H ILE A 82 7.669 1.432 0.365 1.00 0.83 H new ATOM 0 HA ILE A 82 7.188 4.125 -0.753 1.00 0.90 H new ATOM 0 HB ILE A 82 7.105 2.842 1.956 1.00 1.01 H new ATOM 0 HG12 ILE A 82 5.294 4.837 0.528 1.00 1.54 H new ATOM 0 HG13 ILE A 82 5.125 3.102 0.345 1.00 1.54 H new ATOM 0 HG21 ILE A 82 7.015 5.007 3.040 1.00 1.42 H new ATOM 0 HG22 ILE A 82 8.609 4.678 2.319 1.00 1.42 H new ATOM 0 HG23 ILE A 82 7.483 5.797 1.516 1.00 1.42 H new ATOM 0 HD11 ILE A 82 3.548 3.963 2.037 1.00 2.00 H new ATOM 0 HD12 ILE A 82 4.732 2.869 2.792 1.00 2.00 H new ATOM 0 HD13 ILE A 82 4.904 4.631 2.978 1.00 2.00 H new ATOM 1219 N GLU A 83 9.620 4.391 -1.115 1.00 0.87 N ATOM 1220 CA GLU A 83 10.795 5.245 -1.143 1.00 1.21 C ATOM 1221 C GLU A 83 10.256 6.669 -0.900 1.00 2.10 C ATOM 1222 O GLU A 83 9.045 6.828 -0.714 1.00 3.74 O ATOM 1223 CB GLU A 83 11.518 5.000 -2.467 1.00 1.87 C ATOM 1224 CG GLU A 83 13.016 4.742 -2.309 1.00 1.69 C ATOM 1225 CD GLU A 83 13.705 4.835 -3.666 1.00 3.05 C ATOM 1226 OE1 GLU A 83 13.768 5.973 -4.187 1.00 4.57 O ATOM 1227 OE2 GLU A 83 14.102 3.769 -4.178 1.00 3.13 O ATOM 0 H GLU A 83 9.172 4.285 -2.025 1.00 0.87 H new ATOM 0 HA GLU A 83 11.551 5.051 -0.382 1.00 1.21 H new ATOM 0 HB2 GLU A 83 11.062 4.146 -2.968 1.00 1.87 H new ATOM 0 HB3 GLU A 83 11.373 5.864 -3.115 1.00 1.87 H new ATOM 0 HG2 GLU A 83 13.448 5.469 -1.621 1.00 1.69 H new ATOM 0 HG3 GLU A 83 13.180 3.756 -1.875 1.00 1.69 H new ATOM 1234 N HIS A 84 11.047 7.738 -0.768 1.00 1.44 N ATOM 1235 CA HIS A 84 12.256 8.188 -1.464 1.00 0.78 C ATOM 1236 C HIS A 84 12.991 9.121 -0.498 1.00 0.75 C ATOM 1237 O HIS A 84 13.319 10.259 -0.825 1.00 1.12 O ATOM 1238 CB HIS A 84 11.873 8.987 -2.721 1.00 1.20 C ATOM 1239 CG HIS A 84 11.160 8.225 -3.800 1.00 2.16 C ATOM 1240 ND1 HIS A 84 11.742 7.535 -4.841 1.00 3.82 N ATOM 1241 CD2 HIS A 84 9.826 7.943 -3.811 1.00 2.54 C ATOM 1242 CE1 HIS A 84 10.755 6.900 -5.498 1.00 5.12 C ATOM 1243 NE2 HIS A 84 9.566 7.116 -4.905 1.00 4.40 N ATOM 0 H HIS A 84 10.810 8.420 -0.047 1.00 1.44 H new ATOM 0 HA HIS A 84 12.870 7.338 -1.762 1.00 0.78 H new ATOM 0 HB2 HIS A 84 11.242 9.822 -2.417 1.00 1.20 H new ATOM 0 HB3 HIS A 84 12.782 9.413 -3.146 1.00 1.20 H new ATOM 0 HD1 HIS A 84 12.736 7.510 -5.070 1.00 3.82 H new ATOM 0 HD2 HIS A 84 9.097 8.298 -3.097 1.00 2.54 H new ATOM 0 HE1 HIS A 84 10.897 6.297 -6.383 1.00 5.12 H new ATOM 1251 N LEU A 85 13.096 8.693 0.756 1.00 0.74 N ATOM 1252 CA LEU A 85 13.301 9.611 1.866 1.00 0.76 C ATOM 1253 C LEU A 85 14.772 10.006 1.983 1.00 0.93 C ATOM 1254 O LEU A 85 15.640 9.325 1.441 1.00 1.26 O ATOM 1255 CB LEU A 85 12.749 8.954 3.137 1.00 0.77 C ATOM 1256 CG LEU A 85 11.242 8.715 3.026 1.00 0.88 C ATOM 1257 CD1 LEU A 85 10.871 7.242 3.231 1.00 1.55 C ATOM 1258 CD2 LEU A 85 10.462 9.610 3.993 1.00 1.33 C ATOM 0 H LEU A 85 13.042 7.711 1.028 1.00 0.74 H new ATOM 0 HA LEU A 85 12.763 10.544 1.700 1.00 0.76 H new ATOM 0 HB2 LEU A 85 13.258 8.006 3.310 1.00 0.77 H new ATOM 0 HB3 LEU A 85 12.957 9.590 3.998 1.00 0.77 H new ATOM 0 HG LEU A 85 10.958 8.983 2.008 1.00 0.88 H new ATOM 0 HD11 LEU A 85 9.791 7.123 3.143 1.00 1.55 H new ATOM 0 HD12 LEU A 85 11.366 6.633 2.474 1.00 1.55 H new ATOM 0 HD13 LEU A 85 11.192 6.921 4.222 1.00 1.55 H new ATOM 0 HD21 LEU A 85 9.395 9.415 3.889 1.00 1.33 H new ATOM 0 HD22 LEU A 85 10.771 9.397 5.016 1.00 1.33 H new ATOM 0 HD23 LEU A 85 10.664 10.656 3.764 1.00 1.33 H new ATOM 1270 N LYS A 86 15.065 11.084 2.727 1.00 1.00 N ATOM 1271 CA LYS A 86 16.423 11.598 2.883 1.00 1.23 C ATOM 1272 C LYS A 86 17.373 10.541 3.454 1.00 1.24 C ATOM 1273 O LYS A 86 18.587 10.634 3.297 1.00 1.58 O ATOM 1274 CB LYS A 86 16.437 12.902 3.701 1.00 1.51 C ATOM 1275 CG LYS A 86 15.630 12.944 5.011 1.00 1.54 C ATOM 1276 CD LYS A 86 15.929 11.777 5.960 1.00 2.42 C ATOM 1277 CE LYS A 86 15.774 12.083 7.456 1.00 3.30 C ATOM 1278 NZ LYS A 86 16.024 10.872 8.274 1.00 4.67 N ATOM 0 H LYS A 86 14.362 11.620 3.236 1.00 1.00 H new ATOM 0 HA LYS A 86 16.798 11.841 1.889 1.00 1.23 H new ATOM 0 HB2 LYS A 86 17.475 13.134 3.941 1.00 1.51 H new ATOM 0 HB3 LYS A 86 16.072 13.703 3.058 1.00 1.51 H new ATOM 0 HG2 LYS A 86 15.839 13.882 5.526 1.00 1.54 H new ATOM 0 HG3 LYS A 86 14.567 12.942 4.772 1.00 1.54 H new ATOM 0 HD2 LYS A 86 15.269 10.948 5.707 1.00 2.42 H new ATOM 0 HD3 LYS A 86 16.949 11.438 5.780 1.00 2.42 H new ATOM 0 HE2 LYS A 86 16.470 12.871 7.744 1.00 3.30 H new ATOM 0 HE3 LYS A 86 14.769 12.458 7.652 1.00 3.30 H new ATOM 0 HZ1 LYS A 86 15.997 11.123 9.283 1.00 4.67 H new ATOM 0 HZ2 LYS A 86 15.292 10.161 8.074 1.00 4.67 H new ATOM 0 HZ3 LYS A 86 16.959 10.482 8.040 1.00 4.67 H new ATOM 1292 N SER A 87 16.796 9.570 4.161 1.00 1.07 N ATOM 1293 CA SER A 87 17.484 8.482 4.812 1.00 1.31 C ATOM 1294 C SER A 87 17.129 7.249 3.985 1.00 1.52 C ATOM 1295 O SER A 87 15.992 6.793 4.127 1.00 1.19 O ATOM 1296 CB SER A 87 16.919 8.334 6.235 1.00 1.58 C ATOM 1297 OG SER A 87 17.654 9.047 7.213 1.00 1.93 O ATOM 0 H SER A 87 15.786 9.529 4.295 1.00 1.07 H new ATOM 0 HA SER A 87 18.562 8.632 4.880 1.00 1.31 H new ATOM 0 HB2 SER A 87 15.886 8.681 6.245 1.00 1.58 H new ATOM 0 HB3 SER A 87 16.903 7.278 6.503 1.00 1.58 H new ATOM 0 HG SER A 87 18.268 8.436 7.670 1.00 1.93 H new ATOM 1303 N PRO A 88 18.016 6.705 3.131 1.00 2.23 N ATOM 1304 CA PRO A 88 17.751 5.442 2.460 1.00 2.47 C ATOM 1305 C PRO A 88 17.297 4.364 3.449 1.00 2.38 C ATOM 1306 O PRO A 88 16.398 3.590 3.120 1.00 2.40 O ATOM 1307 CB PRO A 88 19.039 5.062 1.722 1.00 3.34 C ATOM 1308 CG PRO A 88 20.119 5.891 2.416 1.00 3.60 C ATOM 1309 CD PRO A 88 19.368 7.154 2.830 1.00 2.94 C ATOM 0 HA PRO A 88 16.928 5.537 1.752 1.00 2.47 H new ATOM 0 HB2 PRO A 88 19.244 3.994 1.800 1.00 3.34 H new ATOM 0 HB3 PRO A 88 18.975 5.298 0.660 1.00 3.34 H new ATOM 0 HG2 PRO A 88 20.537 5.370 3.277 1.00 3.60 H new ATOM 0 HG3 PRO A 88 20.948 6.116 1.746 1.00 3.60 H new ATOM 0 HD2 PRO A 88 19.831 7.622 3.699 1.00 2.94 H new ATOM 0 HD3 PRO A 88 19.369 7.894 2.030 1.00 2.94 H new ATOM 1317 N GLU A 89 17.857 4.349 4.671 1.00 2.55 N ATOM 1318 CA GLU A 89 17.445 3.429 5.724 1.00 2.76 C ATOM 1319 C GLU A 89 15.926 3.448 5.834 1.00 2.50 C ATOM 1320 O GLU A 89 15.289 2.409 5.927 1.00 2.97 O ATOM 1321 CB GLU A 89 18.050 3.756 7.114 1.00 3.01 C ATOM 1322 CG GLU A 89 19.381 4.525 7.176 1.00 3.65 C ATOM 1323 CD GLU A 89 19.218 6.018 6.922 1.00 3.87 C ATOM 1324 OE1 GLU A 89 18.941 6.784 7.873 1.00 3.54 O ATOM 1325 OE2 GLU A 89 19.294 6.372 5.731 1.00 5.03 O ATOM 0 H GLU A 89 18.609 4.980 4.948 1.00 2.55 H new ATOM 0 HA GLU A 89 17.819 2.445 5.441 1.00 2.76 H new ATOM 0 HB2 GLU A 89 17.310 4.331 7.670 1.00 3.01 H new ATOM 0 HB3 GLU A 89 18.187 2.814 7.645 1.00 3.01 H new ATOM 0 HG2 GLU A 89 19.835 4.376 8.156 1.00 3.65 H new ATOM 0 HG3 GLU A 89 20.069 4.110 6.440 1.00 3.65 H new ATOM 1332 N LEU A 90 15.356 4.652 5.839 1.00 1.92 N ATOM 1333 CA LEU A 90 13.979 4.900 6.182 1.00 1.70 C ATOM 1334 C LEU A 90 13.005 4.434 5.105 1.00 1.22 C ATOM 1335 O LEU A 90 11.810 4.364 5.374 1.00 1.40 O ATOM 1336 CB LEU A 90 13.845 6.396 6.452 1.00 1.60 C ATOM 1337 CG LEU A 90 13.003 6.766 7.665 1.00 1.75 C ATOM 1338 CD1 LEU A 90 11.536 6.379 7.491 1.00 2.35 C ATOM 1339 CD2 LEU A 90 13.583 6.213 8.977 1.00 2.55 C ATOM 0 H LEU A 90 15.866 5.501 5.595 1.00 1.92 H new ATOM 0 HA LEU A 90 13.715 4.321 7.067 1.00 1.70 H new ATOM 0 HB2 LEU A 90 14.843 6.816 6.581 1.00 1.60 H new ATOM 0 HB3 LEU A 90 13.411 6.870 5.571 1.00 1.60 H new ATOM 0 HG LEU A 90 13.041 7.853 7.738 1.00 1.75 H new ATOM 0 HD11 LEU A 90 10.977 6.663 8.382 1.00 2.35 H new ATOM 0 HD12 LEU A 90 11.124 6.895 6.624 1.00 2.35 H new ATOM 0 HD13 LEU A 90 11.459 5.302 7.343 1.00 2.35 H new ATOM 0 HD21 LEU A 90 12.944 6.506 9.810 1.00 2.55 H new ATOM 0 HD22 LEU A 90 13.633 5.125 8.923 1.00 2.55 H new ATOM 0 HD23 LEU A 90 14.585 6.615 9.130 1.00 2.55 H new ATOM 1351 N ASN A 91 13.468 4.112 3.896 1.00 0.97 N ATOM 1352 CA ASN A 91 12.573 3.628 2.858 1.00 0.77 C ATOM 1353 C ASN A 91 11.904 2.341 3.370 1.00 0.73 C ATOM 1354 O ASN A 91 12.571 1.449 3.899 1.00 0.91 O ATOM 1355 CB ASN A 91 13.306 3.454 1.518 1.00 1.26 C ATOM 1356 CG ASN A 91 14.168 4.639 1.063 1.00 1.26 C ATOM 1357 OD1 ASN A 91 13.982 5.835 1.622 1.00 1.87 O flip ATOM 1358 ND2 ASN A 91 15.034 4.481 0.213 1.00 1.51 N flip ATOM 0 H ASN A 91 14.447 4.178 3.619 1.00 0.97 H new ATOM 0 HA ASN A 91 11.793 4.360 2.650 1.00 0.77 H new ATOM 0 HB2 ASN A 91 13.943 2.572 1.587 1.00 1.26 H new ATOM 0 HB3 ASN A 91 12.565 3.252 0.745 1.00 1.26 H new ATOM 0 HD21 ASN A 91 15.171 3.563 -0.211 1.00 1.51 H new ATOM 0 HD22 ASN A 91 15.619 5.267 -0.072 1.00 1.51 H new ATOM 1365 N VAL A 92 10.574 2.305 3.309 1.00 0.80 N ATOM 1366 CA VAL A 92 9.724 1.269 3.884 1.00 0.75 C ATOM 1367 C VAL A 92 9.236 0.368 2.755 1.00 0.75 C ATOM 1368 O VAL A 92 8.668 0.857 1.781 1.00 0.85 O ATOM 1369 CB VAL A 92 8.526 1.908 4.621 1.00 0.70 C ATOM 1370 CG1 VAL A 92 7.395 0.907 4.896 1.00 1.07 C ATOM 1371 CG2 VAL A 92 8.960 2.543 5.948 1.00 0.91 C ATOM 0 H VAL A 92 10.037 3.031 2.835 1.00 0.80 H new ATOM 0 HA VAL A 92 10.289 0.682 4.608 1.00 0.75 H new ATOM 0 HB VAL A 92 8.146 2.678 3.950 1.00 0.70 H new ATOM 0 HG11 VAL A 92 6.581 1.412 5.416 1.00 1.07 H new ATOM 0 HG12 VAL A 92 7.028 0.504 3.952 1.00 1.07 H new ATOM 0 HG13 VAL A 92 7.772 0.094 5.516 1.00 1.07 H new ATOM 0 HG21 VAL A 92 8.093 2.984 6.441 1.00 0.91 H new ATOM 0 HG22 VAL A 92 9.395 1.779 6.592 1.00 0.91 H new ATOM 0 HG23 VAL A 92 9.701 3.319 5.755 1.00 0.91 H new ATOM 1381 N ASP A 93 9.375 -0.947 2.920 1.00 0.78 N ATOM 1382 CA ASP A 93 8.733 -1.915 2.046 1.00 0.79 C ATOM 1383 C ASP A 93 7.521 -2.449 2.794 1.00 0.75 C ATOM 1384 O ASP A 93 7.608 -2.782 3.976 1.00 0.94 O ATOM 1385 CB ASP A 93 9.719 -3.030 1.667 1.00 0.90 C ATOM 1386 CG ASP A 93 10.669 -2.593 0.563 1.00 1.02 C ATOM 1387 OD1 ASP A 93 11.185 -3.461 -0.176 1.00 1.71 O ATOM 1388 OD2 ASP A 93 10.831 -1.370 0.349 1.00 2.36 O ATOM 0 H ASP A 93 9.935 -1.366 3.663 1.00 0.78 H new ATOM 0 HA ASP A 93 8.415 -1.459 1.108 1.00 0.79 H new ATOM 0 HB2 ASP A 93 10.293 -3.322 2.546 1.00 0.90 H new ATOM 0 HB3 ASP A 93 9.165 -3.910 1.342 1.00 0.90 H new ATOM 1393 N LEU A 94 6.380 -2.504 2.108 1.00 0.85 N ATOM 1394 CA LEU A 94 5.171 -3.069 2.684 1.00 0.90 C ATOM 1395 C LEU A 94 5.288 -4.592 2.604 1.00 0.84 C ATOM 1396 O LEU A 94 5.795 -5.110 1.610 1.00 0.92 O ATOM 1397 CB LEU A 94 3.941 -2.564 1.923 1.00 1.18 C ATOM 1398 CG LEU A 94 3.831 -1.029 1.872 1.00 0.96 C ATOM 1399 CD1 LEU A 94 2.610 -0.655 1.033 1.00 1.31 C ATOM 1400 CD2 LEU A 94 3.652 -0.385 3.244 1.00 1.62 C ATOM 0 H LEU A 94 6.272 -2.163 1.153 1.00 0.85 H new ATOM 0 HA LEU A 94 5.055 -2.764 3.724 1.00 0.90 H new ATOM 0 HB2 LEU A 94 3.971 -2.951 0.905 1.00 1.18 H new ATOM 0 HB3 LEU A 94 3.044 -2.968 2.392 1.00 1.18 H new ATOM 0 HG LEU A 94 4.766 -0.664 1.448 1.00 0.96 H new ATOM 0 HD11 LEU A 94 2.518 0.430 0.987 1.00 1.31 H new ATOM 0 HD12 LEU A 94 2.726 -1.052 0.025 1.00 1.31 H new ATOM 0 HD13 LEU A 94 1.713 -1.076 1.488 1.00 1.31 H new ATOM 0 HD21 LEU A 94 3.582 0.697 3.132 1.00 1.62 H new ATOM 0 HD22 LEU A 94 2.740 -0.762 3.707 1.00 1.62 H new ATOM 0 HD23 LEU A 94 4.506 -0.630 3.875 1.00 1.62 H new ATOM 1412 N ALA A 95 4.833 -5.319 3.628 1.00 0.90 N ATOM 1413 CA ALA A 95 4.934 -6.771 3.617 1.00 1.01 C ATOM 1414 C ALA A 95 3.838 -7.317 2.707 1.00 0.95 C ATOM 1415 O ALA A 95 2.794 -6.686 2.562 1.00 0.92 O ATOM 1416 CB ALA A 95 4.773 -7.314 5.039 1.00 1.21 C ATOM 0 H ALA A 95 4.397 -4.927 4.463 1.00 0.90 H new ATOM 0 HA ALA A 95 5.910 -7.082 3.245 1.00 1.01 H new ATOM 0 HB1 ALA A 95 4.850 -8.401 5.024 1.00 1.21 H new ATOM 0 HB2 ALA A 95 5.557 -6.904 5.676 1.00 1.21 H new ATOM 0 HB3 ALA A 95 3.798 -7.024 5.431 1.00 1.21 H new ATOM 1422 N ALA A 96 4.055 -8.481 2.088 1.00 1.03 N ATOM 1423 CA ALA A 96 3.123 -8.964 1.080 1.00 0.98 C ATOM 1424 C ALA A 96 1.883 -9.502 1.791 1.00 0.91 C ATOM 1425 O ALA A 96 2.013 -10.300 2.720 1.00 1.39 O ATOM 1426 CB ALA A 96 3.769 -10.035 0.203 1.00 1.20 C ATOM 0 H ALA A 96 4.852 -9.092 2.266 1.00 1.03 H new ATOM 0 HA ALA A 96 2.838 -8.146 0.418 1.00 0.98 H new ATOM 0 HB1 ALA A 96 3.050 -10.378 -0.541 1.00 1.20 H new ATOM 0 HB2 ALA A 96 4.641 -9.616 -0.300 1.00 1.20 H new ATOM 0 HB3 ALA A 96 4.078 -10.876 0.824 1.00 1.20 H new ATOM 1432 N ALA A 97 0.696 -9.028 1.401 1.00 0.61 N ATOM 1433 CA ALA A 97 -0.536 -9.318 2.116 1.00 0.62 C ATOM 1434 C ALA A 97 -1.734 -9.251 1.177 1.00 0.76 C ATOM 1435 O ALA A 97 -2.057 -8.196 0.633 1.00 1.36 O ATOM 1436 CB ALA A 97 -0.724 -8.360 3.288 1.00 0.80 C ATOM 0 H ALA A 97 0.569 -8.434 0.581 1.00 0.61 H new ATOM 0 HA ALA A 97 -0.464 -10.331 2.511 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -1.653 -8.598 3.807 1.00 0.80 H new ATOM 0 HB2 ALA A 97 0.113 -8.461 3.978 1.00 0.80 H new ATOM 0 HB3 ALA A 97 -0.767 -7.336 2.917 1.00 0.80 H new ATOM 1442 N ASP A 98 -2.373 -10.405 1.023 1.00 0.62 N ATOM 1443 CA ASP A 98 -3.468 -10.688 0.107 1.00 0.76 C ATOM 1444 C ASP A 98 -4.802 -10.543 0.824 1.00 0.88 C ATOM 1445 O ASP A 98 -4.813 -10.328 2.037 1.00 1.30 O ATOM 1446 CB ASP A 98 -3.298 -12.117 -0.406 1.00 1.35 C ATOM 1447 CG ASP A 98 -2.096 -12.188 -1.326 1.00 3.22 C ATOM 1448 OD1 ASP A 98 -1.029 -12.609 -0.836 1.00 4.00 O ATOM 1449 OD2 ASP A 98 -2.276 -11.803 -2.501 1.00 4.51 O ATOM 0 H ASP A 98 -2.120 -11.225 1.575 1.00 0.62 H new ATOM 0 HA ASP A 98 -3.454 -9.985 -0.726 1.00 0.76 H new ATOM 0 HB2 ASP A 98 -3.168 -12.802 0.432 1.00 1.35 H new ATOM 0 HB3 ASP A 98 -4.195 -12.432 -0.939 1.00 1.35 H new ATOM 1454 N ILE A 99 -5.922 -10.672 0.097 1.00 0.96 N ATOM 1455 CA ILE A 99 -7.251 -10.568 0.702 1.00 1.34 C ATOM 1456 C ILE A 99 -8.063 -11.864 0.605 1.00 1.52 C ATOM 1457 O ILE A 99 -8.288 -12.439 -0.458 1.00 1.93 O ATOM 1458 CB ILE A 99 -8.011 -9.273 0.352 1.00 1.68 C ATOM 1459 CG1 ILE A 99 -9.060 -9.381 -0.759 1.00 1.45 C ATOM 1460 CG2 ILE A 99 -7.003 -8.169 0.040 1.00 2.26 C ATOM 1461 CD1 ILE A 99 -10.024 -8.192 -0.700 1.00 2.01 C ATOM 0 H ILE A 99 -5.930 -10.848 -0.908 1.00 0.96 H new ATOM 0 HA ILE A 99 -7.076 -10.451 1.772 1.00 1.34 H new ATOM 0 HB ILE A 99 -8.601 -9.037 1.237 1.00 1.68 H new ATOM 0 HG12 ILE A 99 -8.568 -9.410 -1.731 1.00 1.45 H new ATOM 0 HG13 ILE A 99 -9.615 -10.313 -0.654 1.00 1.45 H new ATOM 0 HG21 ILE A 99 -7.535 -7.250 -0.208 1.00 2.26 H new ATOM 0 HG22 ILE A 99 -6.370 -7.998 0.911 1.00 2.26 H new ATOM 0 HG23 ILE A 99 -6.384 -8.470 -0.805 1.00 2.26 H new ATOM 0 HD11 ILE A 99 -10.763 -8.283 -1.496 1.00 2.01 H new ATOM 0 HD12 ILE A 99 -10.530 -8.181 0.266 1.00 2.01 H new ATOM 0 HD13 ILE A 99 -9.466 -7.264 -0.828 1.00 2.01 H new ATOM 1473 N LYS A 100 -8.486 -12.293 1.791 1.00 1.66 N ATOM 1474 CA LYS A 100 -9.282 -13.431 2.159 1.00 1.97 C ATOM 1475 C LYS A 100 -10.719 -13.062 2.560 1.00 2.02 C ATOM 1476 O LYS A 100 -11.622 -13.816 2.202 1.00 3.20 O ATOM 1477 CB LYS A 100 -8.552 -14.118 3.329 1.00 2.60 C ATOM 1478 CG LYS A 100 -9.053 -15.531 3.611 1.00 4.01 C ATOM 1479 CD LYS A 100 -8.598 -16.418 2.455 1.00 4.81 C ATOM 1480 CE LYS A 100 -8.946 -17.892 2.698 1.00 6.19 C ATOM 1481 NZ LYS A 100 -10.407 -18.100 2.772 1.00 6.99 N ATOM 0 H LYS A 100 -8.234 -11.764 2.626 1.00 1.66 H new ATOM 0 HA LYS A 100 -9.387 -14.091 1.298 1.00 1.97 H new ATOM 0 HB2 LYS A 100 -7.485 -14.156 3.109 1.00 2.60 H new ATOM 0 HB3 LYS A 100 -8.671 -13.512 4.227 1.00 2.60 H new ATOM 0 HG2 LYS A 100 -8.653 -15.898 4.556 1.00 4.01 H new ATOM 0 HG3 LYS A 100 -10.139 -15.542 3.698 1.00 4.01 H new ATOM 0 HD2 LYS A 100 -9.068 -16.081 1.531 1.00 4.81 H new ATOM 0 HD3 LYS A 100 -7.521 -16.316 2.320 1.00 4.81 H new ATOM 0 HE2 LYS A 100 -8.531 -18.502 1.895 1.00 6.19 H new ATOM 0 HE3 LYS A 100 -8.482 -18.228 3.626 1.00 6.19 H new ATOM 0 HZ1 LYS A 100 -10.610 -19.118 2.835 1.00 6.99 H new ATOM 0 HZ2 LYS A 100 -10.784 -17.619 3.614 1.00 6.99 H new ATOM 0 HZ3 LYS A 100 -10.857 -17.709 1.920 1.00 6.99 H new ATOM 1495 N PRO A 101 -10.965 -12.000 3.357 1.00 2.02 N ATOM 1496 CA PRO A 101 -12.316 -11.656 3.770 1.00 2.51 C ATOM 1497 C PRO A 101 -12.968 -10.819 2.666 1.00 1.47 C ATOM 1498 O PRO A 101 -12.400 -10.673 1.585 1.00 2.68 O ATOM 1499 CB PRO A 101 -12.121 -10.861 5.065 1.00 4.15 C ATOM 1500 CG PRO A 101 -10.860 -10.056 4.758 1.00 4.44 C ATOM 1501 CD PRO A 101 -10.032 -11.013 3.896 1.00 3.14 C ATOM 0 HA PRO A 101 -12.968 -12.513 3.935 1.00 2.51 H new ATOM 0 HB2 PRO A 101 -12.974 -10.217 5.280 1.00 4.15 H new ATOM 0 HB3 PRO A 101 -11.988 -11.513 5.928 1.00 4.15 H new ATOM 0 HG2 PRO A 101 -11.091 -9.133 4.226 1.00 4.44 H new ATOM 0 HG3 PRO A 101 -10.331 -9.775 5.668 1.00 4.44 H new ATOM 0 HD2 PRO A 101 -9.530 -10.475 3.092 1.00 3.14 H new ATOM 0 HD3 PRO A 101 -9.256 -11.497 4.489 1.00 3.14 H new ATOM 1509 N ASP A 102 -14.133 -10.231 2.970 1.00 1.73 N ATOM 1510 CA ASP A 102 -14.878 -9.372 2.056 1.00 1.78 C ATOM 1511 C ASP A 102 -15.415 -10.170 0.854 1.00 2.11 C ATOM 1512 O ASP A 102 -15.136 -11.355 0.681 1.00 3.36 O ATOM 1513 CB ASP A 102 -14.071 -8.087 1.739 1.00 2.23 C ATOM 1514 CG ASP A 102 -14.237 -7.525 0.333 1.00 3.77 C ATOM 1515 OD1 ASP A 102 -13.220 -7.489 -0.389 1.00 4.65 O ATOM 1516 OD2 ASP A 102 -15.372 -7.109 0.002 1.00 4.82 O ATOM 0 H ASP A 102 -14.587 -10.345 3.876 1.00 1.73 H new ATOM 0 HA ASP A 102 -15.786 -9.002 2.533 1.00 1.78 H new ATOM 0 HB2 ASP A 102 -14.358 -7.316 2.454 1.00 2.23 H new ATOM 0 HB3 ASP A 102 -13.014 -8.296 1.903 1.00 2.23 H new ATOM 1521 N GLY A 103 -16.277 -9.530 0.071 1.00 2.37 N ATOM 1522 CA GLY A 103 -16.789 -10.044 -1.179 1.00 3.27 C ATOM 1523 C GLY A 103 -17.712 -9.018 -1.834 1.00 3.21 C ATOM 1524 O GLY A 103 -18.740 -9.409 -2.383 1.00 4.58 O ATOM 0 H GLY A 103 -16.647 -8.608 0.304 1.00 2.37 H new ATOM 0 HA2 GLY A 103 -15.962 -10.280 -1.849 1.00 3.27 H new ATOM 0 HA3 GLY A 103 -17.332 -10.973 -1.003 1.00 3.27 H new ATOM 1528 N LYS A 104 -17.357 -7.727 -1.800 1.00 2.12 N ATOM 1529 CA LYS A 104 -18.154 -6.647 -2.385 1.00 2.27 C ATOM 1530 C LYS A 104 -17.312 -5.826 -3.369 1.00 2.19 C ATOM 1531 O LYS A 104 -17.137 -4.623 -3.194 1.00 2.79 O ATOM 1532 CB LYS A 104 -18.786 -5.789 -1.275 1.00 2.42 C ATOM 1533 CG LYS A 104 -17.759 -5.361 -0.220 1.00 2.49 C ATOM 1534 CD LYS A 104 -18.249 -4.168 0.606 1.00 2.86 C ATOM 1535 CE LYS A 104 -17.149 -3.774 1.601 1.00 3.79 C ATOM 1536 NZ LYS A 104 -17.532 -2.610 2.425 1.00 4.70 N ATOM 0 H LYS A 104 -16.497 -7.402 -1.359 1.00 2.12 H new ATOM 0 HA LYS A 104 -18.975 -7.074 -2.961 1.00 2.27 H new ATOM 0 HB2 LYS A 104 -19.241 -4.903 -1.717 1.00 2.42 H new ATOM 0 HB3 LYS A 104 -19.586 -6.352 -0.794 1.00 2.42 H new ATOM 0 HG2 LYS A 104 -17.550 -6.200 0.444 1.00 2.49 H new ATOM 0 HG3 LYS A 104 -16.821 -5.101 -0.711 1.00 2.49 H new ATOM 0 HD2 LYS A 104 -18.486 -3.328 -0.047 1.00 2.86 H new ATOM 0 HD3 LYS A 104 -19.165 -4.427 1.138 1.00 2.86 H new ATOM 0 HE2 LYS A 104 -16.930 -4.621 2.251 1.00 3.79 H new ATOM 0 HE3 LYS A 104 -16.233 -3.545 1.056 1.00 3.79 H new ATOM 0 HZ1 LYS A 104 -16.759 -2.380 3.082 1.00 4.70 H new ATOM 0 HZ2 LYS A 104 -17.716 -1.793 1.808 1.00 4.70 H new ATOM 0 HZ3 LYS A 104 -18.391 -2.835 2.966 1.00 4.70 H new ATOM 1550 N ARG A 105 -16.808 -6.484 -4.419 1.00 2.31 N ATOM 1551 CA ARG A 105 -15.902 -5.891 -5.403 1.00 2.31 C ATOM 1552 C ARG A 105 -14.703 -5.264 -4.697 1.00 1.94 C ATOM 1553 O ARG A 105 -14.332 -4.133 -4.996 1.00 2.56 O ATOM 1554 CB ARG A 105 -16.586 -4.892 -6.361 1.00 2.73 C ATOM 1555 CG ARG A 105 -17.588 -5.543 -7.325 1.00 3.79 C ATOM 1556 CD ARG A 105 -18.960 -5.842 -6.709 1.00 4.06 C ATOM 1557 NE ARG A 105 -19.683 -6.815 -7.538 1.00 5.46 N ATOM 1558 CZ ARG A 105 -20.595 -6.545 -8.483 1.00 6.28 C ATOM 1559 NH1 ARG A 105 -20.873 -5.275 -8.799 1.00 6.12 N ATOM 1560 NH2 ARG A 105 -21.221 -7.549 -9.104 1.00 7.68 N ATOM 0 H ARG A 105 -17.024 -7.462 -4.610 1.00 2.31 H new ATOM 0 HA ARG A 105 -15.558 -6.703 -6.043 1.00 2.31 H new ATOM 0 HB2 ARG A 105 -17.103 -4.134 -5.772 1.00 2.73 H new ATOM 0 HB3 ARG A 105 -15.820 -4.377 -6.941 1.00 2.73 H new ATOM 0 HG2 ARG A 105 -17.725 -4.887 -8.185 1.00 3.79 H new ATOM 0 HG3 ARG A 105 -17.161 -6.474 -7.699 1.00 3.79 H new ATOM 0 HD2 ARG A 105 -18.837 -6.233 -5.699 1.00 4.06 H new ATOM 0 HD3 ARG A 105 -19.539 -4.922 -6.626 1.00 4.06 H new ATOM 0 HE ARG A 105 -19.469 -7.799 -7.378 1.00 5.46 H new ATOM 0 HH11 ARG A 105 -20.391 -4.513 -8.321 1.00 6.12 H new ATOM 0 HH12 ARG A 105 -21.567 -5.068 -9.518 1.00 6.12 H new ATOM 0 HH21 ARG A 105 -21.004 -8.515 -8.858 1.00 7.68 H new ATOM 0 HH22 ARG A 105 -21.916 -7.349 -9.824 1.00 7.68 H new ATOM 1574 N HIS A 106 -14.103 -6.041 -3.790 1.00 1.77 N ATOM 1575 CA HIS A 106 -12.884 -5.721 -3.070 1.00 1.67 C ATOM 1576 C HIS A 106 -13.073 -4.617 -2.018 1.00 1.61 C ATOM 1577 O HIS A 106 -13.479 -3.499 -2.324 1.00 2.88 O ATOM 1578 CB HIS A 106 -11.735 -5.427 -4.041 1.00 2.17 C ATOM 1579 CG HIS A 106 -10.514 -4.928 -3.325 1.00 3.07 C ATOM 1580 ND1 HIS A 106 -9.551 -5.697 -2.718 1.00 4.22 N ATOM 1581 CD2 HIS A 106 -10.304 -3.630 -2.958 1.00 3.86 C ATOM 1582 CE1 HIS A 106 -8.756 -4.870 -2.022 1.00 5.17 C ATOM 1583 NE2 HIS A 106 -9.157 -3.598 -2.167 1.00 4.96 N ATOM 0 H HIS A 106 -14.479 -6.953 -3.531 1.00 1.77 H new ATOM 0 HA HIS A 106 -12.610 -6.608 -2.498 1.00 1.67 H new ATOM 0 HB2 HIS A 106 -11.487 -6.332 -4.595 1.00 2.17 H new ATOM 0 HB3 HIS A 106 -12.057 -4.685 -4.771 1.00 2.17 H new ATOM 0 HD1 HIS A 106 -9.457 -6.711 -2.784 1.00 4.22 H new ATOM 0 HD2 HIS A 106 -10.915 -2.782 -3.231 1.00 3.86 H new ATOM 0 HE1 HIS A 106 -7.911 -5.185 -1.428 1.00 5.17 H new ATOM 1591 N ALA A 107 -12.708 -4.920 -0.771 1.00 1.00 N ATOM 1592 CA ALA A 107 -12.631 -3.965 0.322 1.00 1.43 C ATOM 1593 C ALA A 107 -11.209 -3.429 0.492 1.00 1.19 C ATOM 1594 O ALA A 107 -10.938 -2.298 0.104 1.00 1.37 O ATOM 1595 CB ALA A 107 -13.133 -4.613 1.608 1.00 2.29 C ATOM 0 H ALA A 107 -12.451 -5.867 -0.491 1.00 1.00 H new ATOM 0 HA ALA A 107 -13.269 -3.113 0.086 1.00 1.43 H new ATOM 0 HB1 ALA A 107 -13.074 -3.894 2.425 1.00 2.29 H new ATOM 0 HB2 ALA A 107 -14.168 -4.928 1.477 1.00 2.29 H new ATOM 0 HB3 ALA A 107 -12.517 -5.481 1.843 1.00 2.29 H new ATOM 1601 N VAL A 108 -10.320 -4.202 1.129 1.00 0.98 N ATOM 1602 CA VAL A 108 -8.992 -3.754 1.530 1.00 0.83 C ATOM 1603 C VAL A 108 -8.069 -4.952 1.725 1.00 0.77 C ATOM 1604 O VAL A 108 -8.537 -6.061 1.972 1.00 0.93 O ATOM 1605 CB VAL A 108 -9.034 -2.958 2.852 1.00 0.88 C ATOM 1606 CG1 VAL A 108 -9.552 -1.533 2.676 1.00 1.10 C ATOM 1607 CG2 VAL A 108 -9.825 -3.675 3.955 1.00 0.94 C ATOM 0 H VAL A 108 -10.512 -5.171 1.382 1.00 0.98 H new ATOM 0 HA VAL A 108 -8.619 -3.107 0.736 1.00 0.83 H new ATOM 0 HB VAL A 108 -7.993 -2.896 3.170 1.00 0.88 H new ATOM 0 HG11 VAL A 108 -9.557 -1.026 3.641 1.00 1.10 H new ATOM 0 HG12 VAL A 108 -8.904 -0.993 1.986 1.00 1.10 H new ATOM 0 HG13 VAL A 108 -10.565 -1.561 2.275 1.00 1.10 H new ATOM 0 HG21 VAL A 108 -9.820 -3.068 4.860 1.00 0.94 H new ATOM 0 HG22 VAL A 108 -10.853 -3.826 3.626 1.00 0.94 H new ATOM 0 HG23 VAL A 108 -9.365 -4.641 4.163 1.00 0.94 H new ATOM 1617 N ILE A 109 -6.763 -4.686 1.677 1.00 0.73 N ATOM 1618 CA ILE A 109 -5.707 -5.487 2.248 1.00 0.71 C ATOM 1619 C ILE A 109 -5.435 -4.944 3.649 1.00 0.75 C ATOM 1620 O ILE A 109 -5.694 -3.768 3.917 1.00 0.92 O ATOM 1621 CB ILE A 109 -4.449 -5.477 1.351 1.00 0.83 C ATOM 1622 CG1 ILE A 109 -3.558 -4.251 1.511 1.00 2.12 C ATOM 1623 CG2 ILE A 109 -4.770 -5.529 -0.142 1.00 2.05 C ATOM 1624 CD1 ILE A 109 -2.562 -4.342 2.656 1.00 3.52 C ATOM 0 H ILE A 109 -6.405 -3.854 1.208 1.00 0.73 H new ATOM 0 HA ILE A 109 -6.004 -6.534 2.315 1.00 0.71 H new ATOM 0 HB ILE A 109 -3.933 -6.374 1.693 1.00 0.83 H new ATOM 0 HG12 ILE A 109 -3.011 -4.091 0.582 1.00 2.12 H new ATOM 0 HG13 ILE A 109 -4.189 -3.376 1.664 1.00 2.12 H new ATOM 0 HG21 ILE A 109 -3.842 -5.519 -0.714 1.00 2.05 H new ATOM 0 HG22 ILE A 109 -5.323 -6.442 -0.364 1.00 2.05 H new ATOM 0 HG23 ILE A 109 -5.374 -4.663 -0.415 1.00 2.05 H new ATOM 0 HD11 ILE A 109 -1.970 -3.428 2.697 1.00 3.52 H new ATOM 0 HD12 ILE A 109 -3.099 -4.469 3.596 1.00 3.52 H new ATOM 0 HD13 ILE A 109 -1.902 -5.195 2.497 1.00 3.52 H new ATOM 1636 N SER A 110 -4.889 -5.780 4.532 1.00 0.79 N ATOM 1637 CA SER A 110 -4.357 -5.366 5.821 1.00 0.82 C ATOM 1638 C SER A 110 -2.967 -5.986 5.918 1.00 0.78 C ATOM 1639 O SER A 110 -2.861 -7.202 6.066 1.00 1.02 O ATOM 1640 CB SER A 110 -5.291 -5.835 6.943 1.00 1.03 C ATOM 1641 OG SER A 110 -4.894 -5.286 8.185 1.00 1.88 O ATOM 0 H SER A 110 -4.805 -6.782 4.364 1.00 0.79 H new ATOM 0 HA SER A 110 -4.288 -4.283 5.920 1.00 0.82 H new ATOM 0 HB2 SER A 110 -6.315 -5.537 6.719 1.00 1.03 H new ATOM 0 HB3 SER A 110 -5.281 -6.923 7.001 1.00 1.03 H new ATOM 0 HG SER A 110 -5.502 -5.595 8.889 1.00 1.88 H new ATOM 1647 N GLY A 111 -1.919 -5.177 5.745 1.00 0.75 N ATOM 1648 CA GLY A 111 -0.539 -5.658 5.721 1.00 0.76 C ATOM 1649 C GLY A 111 0.311 -5.012 6.818 1.00 0.66 C ATOM 1650 O GLY A 111 0.032 -3.893 7.247 1.00 0.68 O ATOM 0 H GLY A 111 -2.005 -4.169 5.618 1.00 0.75 H new ATOM 0 HA2 GLY A 111 -0.530 -6.741 5.845 1.00 0.76 H new ATOM 0 HA3 GLY A 111 -0.098 -5.445 4.747 1.00 0.76 H new ATOM 1654 N SER A 112 1.364 -5.701 7.265 1.00 0.89 N ATOM 1655 CA SER A 112 2.412 -5.088 8.063 1.00 0.74 C ATOM 1656 C SER A 112 3.353 -4.326 7.124 1.00 0.66 C ATOM 1657 O SER A 112 3.287 -4.495 5.902 1.00 0.84 O ATOM 1658 CB SER A 112 3.152 -6.174 8.846 1.00 0.77 C ATOM 1659 OG SER A 112 3.486 -7.254 8.001 1.00 1.97 O ATOM 0 H SER A 112 1.508 -6.694 7.082 1.00 0.89 H new ATOM 0 HA SER A 112 1.995 -4.385 8.784 1.00 0.74 H new ATOM 0 HB2 SER A 112 4.057 -5.758 9.289 1.00 0.77 H new ATOM 0 HB3 SER A 112 2.528 -6.527 9.667 1.00 0.77 H new ATOM 0 HG SER A 112 4.212 -7.773 8.405 1.00 1.97 H new ATOM 1665 N VAL A 113 4.233 -3.483 7.672 1.00 0.57 N ATOM 1666 CA VAL A 113 5.296 -2.875 6.881 1.00 0.61 C ATOM 1667 C VAL A 113 6.628 -3.106 7.572 1.00 0.76 C ATOM 1668 O VAL A 113 6.679 -3.194 8.799 1.00 0.85 O ATOM 1669 CB VAL A 113 5.047 -1.378 6.632 1.00 0.58 C ATOM 1670 CG1 VAL A 113 3.553 -1.040 6.517 1.00 0.62 C ATOM 1671 CG2 VAL A 113 5.680 -0.486 7.701 1.00 0.78 C ATOM 0 H VAL A 113 4.227 -3.210 8.655 1.00 0.57 H new ATOM 0 HA VAL A 113 5.312 -3.350 5.900 1.00 0.61 H new ATOM 0 HB VAL A 113 5.529 -1.171 5.677 1.00 0.58 H new ATOM 0 HG11 VAL A 113 3.434 0.029 6.342 1.00 0.62 H new ATOM 0 HG12 VAL A 113 3.117 -1.595 5.686 1.00 0.62 H new ATOM 0 HG13 VAL A 113 3.046 -1.314 7.442 1.00 0.62 H new ATOM 0 HG21 VAL A 113 5.471 0.559 7.473 1.00 0.78 H new ATOM 0 HG22 VAL A 113 5.262 -0.735 8.677 1.00 0.78 H new ATOM 0 HG23 VAL A 113 6.758 -0.646 7.716 1.00 0.78 H new ATOM 1681 N LEU A 114 7.708 -3.113 6.792 1.00 0.89 N ATOM 1682 CA LEU A 114 9.035 -3.129 7.366 1.00 1.00 C ATOM 1683 C LEU A 114 9.344 -1.708 7.818 1.00 1.15 C ATOM 1684 O LEU A 114 9.511 -0.802 7.004 1.00 1.22 O ATOM 1685 CB LEU A 114 10.058 -3.614 6.333 1.00 1.20 C ATOM 1686 CG LEU A 114 11.408 -4.062 6.912 1.00 0.82 C ATOM 1687 CD1 LEU A 114 11.299 -5.422 7.613 1.00 1.87 C ATOM 1688 CD2 LEU A 114 12.403 -4.197 5.753 1.00 2.03 C ATOM 0 H LEU A 114 7.682 -3.108 5.772 1.00 0.89 H new ATOM 0 HA LEU A 114 9.087 -3.815 8.212 1.00 1.00 H new ATOM 0 HB2 LEU A 114 9.624 -4.446 5.778 1.00 1.20 H new ATOM 0 HB3 LEU A 114 10.236 -2.812 5.617 1.00 1.20 H new ATOM 0 HG LEU A 114 11.734 -3.323 7.644 1.00 0.82 H new ATOM 0 HD11 LEU A 114 12.274 -5.706 8.010 1.00 1.87 H new ATOM 0 HD12 LEU A 114 10.580 -5.354 8.430 1.00 1.87 H new ATOM 0 HD13 LEU A 114 10.965 -6.174 6.898 1.00 1.87 H new ATOM 0 HD21 LEU A 114 13.371 -4.515 6.140 1.00 2.03 H new ATOM 0 HD22 LEU A 114 12.035 -4.937 5.042 1.00 2.03 H new ATOM 0 HD23 LEU A 114 12.511 -3.235 5.252 1.00 2.03 H new ATOM 1700 N TYR A 115 9.534 -1.537 9.120 1.00 1.68 N ATOM 1701 CA TYR A 115 10.243 -0.402 9.686 1.00 2.11 C ATOM 1702 C TYR A 115 11.713 -0.729 9.430 1.00 2.01 C ATOM 1703 O TYR A 115 12.487 -0.943 10.357 1.00 2.20 O ATOM 1704 CB TYR A 115 9.863 -0.279 11.178 1.00 2.74 C ATOM 1705 CG TYR A 115 10.630 0.648 12.117 1.00 3.09 C ATOM 1706 CD1 TYR A 115 11.702 1.448 11.683 1.00 3.22 C ATOM 1707 CD2 TYR A 115 10.299 0.639 13.486 1.00 4.49 C ATOM 1708 CE1 TYR A 115 12.505 2.129 12.612 1.00 4.33 C ATOM 1709 CE2 TYR A 115 11.045 1.397 14.407 1.00 5.16 C ATOM 1710 CZ TYR A 115 12.157 2.136 13.969 1.00 4.92 C ATOM 1711 OH TYR A 115 12.734 3.062 14.786 1.00 5.86 O ATOM 0 H TYR A 115 9.194 -2.195 9.821 1.00 1.68 H new ATOM 0 HA TYR A 115 10.001 0.568 9.253 1.00 2.11 H new ATOM 0 HB2 TYR A 115 8.817 0.025 11.216 1.00 2.74 H new ATOM 0 HB3 TYR A 115 9.919 -1.281 11.604 1.00 2.74 H new ATOM 0 HD1 TYR A 115 11.909 1.539 10.627 1.00 3.22 H new ATOM 0 HD2 TYR A 115 9.466 0.045 13.832 1.00 4.49 H new ATOM 0 HE1 TYR A 115 13.392 2.648 12.280 1.00 4.33 H new ATOM 0 HE2 TYR A 115 10.763 1.411 15.450 1.00 5.16 H new ATOM 0 HH TYR A 115 12.397 2.948 15.699 1.00 5.86 H new ATOM 1721 N ASN A 116 12.079 -0.757 8.144 1.00 1.71 N ATOM 1722 CA ASN A 116 13.432 -0.685 7.617 1.00 1.55 C ATOM 1723 C ASN A 116 14.302 -1.895 7.974 1.00 1.04 C ATOM 1724 O ASN A 116 14.678 -2.678 7.109 1.00 0.91 O ATOM 1725 CB ASN A 116 14.052 0.646 8.054 1.00 2.18 C ATOM 1726 CG ASN A 116 13.112 1.832 7.808 1.00 4.26 C ATOM 1727 OD1 ASN A 116 12.890 2.637 8.708 1.00 5.89 O ATOM 1728 ND2 ASN A 116 12.496 1.941 6.633 1.00 4.97 N ATOM 0 H ASN A 116 11.386 -0.836 7.400 1.00 1.71 H new ATOM 0 HA ASN A 116 13.380 -0.722 6.529 1.00 1.55 H new ATOM 0 HB2 ASN A 116 14.303 0.597 9.114 1.00 2.18 H new ATOM 0 HB3 ASN A 116 14.985 0.805 7.513 1.00 2.18 H new ATOM 0 HD21 ASN A 116 11.832 2.699 6.474 1.00 4.97 H new ATOM 0 HD22 ASN A 116 12.688 1.267 5.892 1.00 4.97 H new ATOM 1735 N GLN A 117 14.626 -2.038 9.256 1.00 1.00 N ATOM 1736 CA GLN A 117 15.382 -3.130 9.859 1.00 0.87 C ATOM 1737 C GLN A 117 14.580 -3.755 11.019 1.00 1.22 C ATOM 1738 O GLN A 117 15.137 -4.459 11.858 1.00 1.76 O ATOM 1739 CB GLN A 117 16.743 -2.593 10.343 1.00 0.95 C ATOM 1740 CG GLN A 117 17.717 -2.214 9.211 1.00 1.31 C ATOM 1741 CD GLN A 117 17.345 -0.965 8.410 1.00 1.68 C ATOM 1742 OE1 GLN A 117 17.288 -1.001 7.188 1.00 3.27 O ATOM 1743 NE2 GLN A 117 17.108 0.167 9.070 1.00 1.54 N ATOM 0 H GLN A 117 14.347 -1.344 9.949 1.00 1.00 H new ATOM 0 HA GLN A 117 15.557 -3.913 9.121 1.00 0.87 H new ATOM 0 HB2 GLN A 117 16.572 -1.716 10.968 1.00 0.95 H new ATOM 0 HB3 GLN A 117 17.214 -3.347 10.974 1.00 0.95 H new ATOM 0 HG2 GLN A 117 18.707 -2.066 9.642 1.00 1.31 H new ATOM 0 HG3 GLN A 117 17.792 -3.056 8.523 1.00 1.31 H new ATOM 0 HE21 GLN A 117 17.159 0.184 10.089 1.00 1.54 H new ATOM 0 HE22 GLN A 117 16.876 1.017 8.557 1.00 1.54 H new ATOM 1752 N ALA A 118 13.272 -3.487 11.080 1.00 1.41 N ATOM 1753 CA ALA A 118 12.320 -3.925 12.091 1.00 1.67 C ATOM 1754 C ALA A 118 10.943 -3.912 11.422 1.00 1.58 C ATOM 1755 O ALA A 118 10.854 -3.543 10.254 1.00 2.25 O ATOM 1756 CB ALA A 118 12.373 -2.979 13.296 1.00 1.95 C ATOM 0 H ALA A 118 12.822 -2.914 10.366 1.00 1.41 H new ATOM 0 HA ALA A 118 12.548 -4.924 12.463 1.00 1.67 H new ATOM 0 HB1 ALA A 118 11.659 -3.310 14.050 1.00 1.95 H new ATOM 0 HB2 ALA A 118 13.377 -2.985 13.719 1.00 1.95 H new ATOM 0 HB3 ALA A 118 12.120 -1.968 12.976 1.00 1.95 H new ATOM 1762 N GLU A 119 9.876 -4.319 12.116 1.00 1.20 N ATOM 1763 CA GLU A 119 8.533 -4.401 11.541 1.00 1.21 C ATOM 1764 C GLU A 119 7.499 -3.797 12.503 1.00 1.17 C ATOM 1765 O GLU A 119 6.596 -4.496 12.954 1.00 1.82 O ATOM 1766 CB GLU A 119 8.243 -5.878 11.210 1.00 1.60 C ATOM 1767 CG GLU A 119 7.063 -6.060 10.242 1.00 1.90 C ATOM 1768 CD GLU A 119 6.669 -7.522 10.055 1.00 2.61 C ATOM 1769 OE1 GLU A 119 5.726 -7.751 9.264 1.00 3.28 O ATOM 1770 OE2 GLU A 119 7.299 -8.380 10.709 1.00 3.48 O ATOM 0 H GLU A 119 9.921 -4.601 13.095 1.00 1.20 H new ATOM 0 HA GLU A 119 8.468 -3.819 10.622 1.00 1.21 H new ATOM 0 HB2 GLU A 119 9.135 -6.328 10.774 1.00 1.60 H new ATOM 0 HB3 GLU A 119 8.033 -6.417 12.134 1.00 1.60 H new ATOM 0 HG2 GLU A 119 6.204 -5.502 10.615 1.00 1.90 H new ATOM 0 HG3 GLU A 119 7.324 -5.633 9.274 1.00 1.90 H new ATOM 1777 N LYS A 120 7.620 -2.507 12.863 1.00 0.79 N ATOM 1778 CA LYS A 120 6.674 -1.831 13.745 1.00 0.72 C ATOM 1779 C LYS A 120 6.032 -0.703 12.960 1.00 0.75 C ATOM 1780 O LYS A 120 6.184 0.491 13.214 1.00 1.12 O ATOM 1781 CB LYS A 120 7.294 -1.466 15.102 1.00 1.06 C ATOM 1782 CG LYS A 120 6.664 -2.337 16.202 1.00 1.58 C ATOM 1783 CD LYS A 120 6.875 -3.828 15.938 1.00 2.04 C ATOM 1784 CE LYS A 120 5.621 -4.685 15.679 1.00 2.78 C ATOM 1785 NZ LYS A 120 4.852 -4.970 16.906 1.00 3.15 N ATOM 0 H LYS A 120 8.382 -1.909 12.545 1.00 0.79 H new ATOM 0 HA LYS A 120 5.867 -2.496 14.051 1.00 0.72 H new ATOM 0 HB2 LYS A 120 8.373 -1.619 15.074 1.00 1.06 H new ATOM 0 HB3 LYS A 120 7.128 -0.411 15.318 1.00 1.06 H new ATOM 0 HG2 LYS A 120 7.098 -2.074 17.167 1.00 1.58 H new ATOM 0 HG3 LYS A 120 5.596 -2.127 16.265 1.00 1.58 H new ATOM 0 HD2 LYS A 120 7.535 -3.928 15.077 1.00 2.04 H new ATOM 0 HD3 LYS A 120 7.401 -4.251 16.794 1.00 2.04 H new ATOM 0 HE2 LYS A 120 4.978 -4.171 14.965 1.00 2.78 H new ATOM 0 HE3 LYS A 120 5.920 -5.626 15.218 1.00 2.78 H new ATOM 0 HZ1 LYS A 120 4.021 -5.549 16.669 1.00 3.15 H new ATOM 0 HZ2 LYS A 120 5.453 -5.486 17.580 1.00 3.15 H new ATOM 0 HZ3 LYS A 120 4.539 -4.076 17.335 1.00 3.15 H new ATOM 1799 N GLY A 121 5.283 -1.168 11.976 1.00 0.59 N ATOM 1800 CA GLY A 121 4.329 -0.378 11.232 1.00 0.63 C ATOM 1801 C GLY A 121 3.308 -1.320 10.607 1.00 0.51 C ATOM 1802 O GLY A 121 3.594 -2.504 10.407 1.00 0.62 O ATOM 0 H GLY A 121 5.327 -2.139 11.666 1.00 0.59 H new ATOM 0 HA2 GLY A 121 3.833 0.336 11.889 1.00 0.63 H new ATOM 0 HA3 GLY A 121 4.836 0.199 10.459 1.00 0.63 H new ATOM 1806 N SER A 122 2.116 -0.804 10.322 1.00 0.60 N ATOM 1807 CA SER A 122 1.030 -1.559 9.730 1.00 0.58 C ATOM 1808 C SER A 122 0.281 -0.657 8.768 1.00 0.53 C ATOM 1809 O SER A 122 0.454 0.560 8.812 1.00 0.65 O ATOM 1810 CB SER A 122 0.141 -2.122 10.836 1.00 0.73 C ATOM 1811 OG SER A 122 -0.410 -1.091 11.631 1.00 0.76 O ATOM 0 H SER A 122 1.879 0.172 10.502 1.00 0.60 H new ATOM 0 HA SER A 122 1.403 -2.411 9.161 1.00 0.58 H new ATOM 0 HB2 SER A 122 -0.662 -2.711 10.394 1.00 0.73 H new ATOM 0 HB3 SER A 122 0.723 -2.796 11.464 1.00 0.73 H new ATOM 0 HG SER A 122 -0.975 -1.483 12.329 1.00 0.76 H new ATOM 1817 N TYR A 123 -0.493 -1.242 7.861 1.00 0.59 N ATOM 1818 CA TYR A 123 -1.051 -0.512 6.748 1.00 0.56 C ATOM 1819 C TYR A 123 -2.309 -1.225 6.272 1.00 0.55 C ATOM 1820 O TYR A 123 -2.378 -2.454 6.308 1.00 0.59 O ATOM 1821 CB TYR A 123 0.020 -0.466 5.653 1.00 0.77 C ATOM 1822 CG TYR A 123 -0.441 -0.075 4.266 1.00 0.81 C ATOM 1823 CD1 TYR A 123 -0.342 1.261 3.856 1.00 2.28 C ATOM 1824 CD2 TYR A 123 -0.701 -1.074 3.310 1.00 1.42 C ATOM 1825 CE1 TYR A 123 -0.281 1.577 2.493 1.00 2.86 C ATOM 1826 CE2 TYR A 123 -0.775 -0.739 1.948 1.00 1.72 C ATOM 1827 CZ TYR A 123 -0.494 0.574 1.533 1.00 2.13 C ATOM 1828 OH TYR A 123 -0.367 0.859 0.207 1.00 2.80 O ATOM 0 H TYR A 123 -0.745 -2.230 7.883 1.00 0.59 H new ATOM 0 HA TYR A 123 -1.330 0.505 7.024 1.00 0.56 H new ATOM 0 HB2 TYR A 123 0.794 0.235 5.964 1.00 0.77 H new ATOM 0 HB3 TYR A 123 0.486 -1.449 5.592 1.00 0.77 H new ATOM 0 HD1 TYR A 123 -0.313 2.050 4.593 1.00 2.28 H new ATOM 0 HD2 TYR A 123 -0.844 -2.098 3.623 1.00 1.42 H new ATOM 0 HE1 TYR A 123 -0.071 2.589 2.181 1.00 2.86 H new ATOM 0 HE2 TYR A 123 -1.047 -1.489 1.221 1.00 1.72 H new ATOM 0 HH TYR A 123 -0.547 0.052 -0.320 1.00 2.80 H new ATOM 1838 N SER A 124 -3.299 -0.466 5.803 1.00 0.57 N ATOM 1839 CA SER A 124 -4.473 -1.029 5.163 1.00 0.59 C ATOM 1840 C SER A 124 -4.784 -0.191 3.934 1.00 0.59 C ATOM 1841 O SER A 124 -4.689 1.037 3.985 1.00 0.71 O ATOM 1842 CB SER A 124 -5.647 -1.098 6.141 1.00 0.76 C ATOM 1843 OG SER A 124 -6.740 -1.781 5.555 1.00 2.28 O ATOM 0 H SER A 124 -3.304 0.552 5.859 1.00 0.57 H new ATOM 0 HA SER A 124 -4.286 -2.056 4.851 1.00 0.59 H new ATOM 0 HB2 SER A 124 -5.339 -1.608 7.053 1.00 0.76 H new ATOM 0 HB3 SER A 124 -5.950 -0.091 6.426 1.00 0.76 H new ATOM 0 HG SER A 124 -6.405 -2.490 4.967 1.00 2.28 H new ATOM 1849 N LEU A 125 -5.087 -0.869 2.827 1.00 0.62 N ATOM 1850 CA LEU A 125 -5.228 -0.242 1.514 1.00 0.66 C ATOM 1851 C LEU A 125 -6.198 -1.026 0.648 1.00 0.63 C ATOM 1852 O LEU A 125 -6.153 -2.246 0.676 1.00 0.74 O ATOM 1853 CB LEU A 125 -3.835 -0.205 0.878 1.00 0.73 C ATOM 1854 CG LEU A 125 -3.738 0.171 -0.606 1.00 0.68 C ATOM 1855 CD1 LEU A 125 -4.030 -0.974 -1.588 1.00 0.74 C ATOM 1856 CD2 LEU A 125 -4.468 1.469 -0.934 1.00 0.74 C ATOM 0 H LEU A 125 -5.243 -1.877 2.817 1.00 0.62 H new ATOM 0 HA LEU A 125 -5.630 0.767 1.610 1.00 0.66 H new ATOM 0 HB2 LEU A 125 -3.227 0.501 1.443 1.00 0.73 H new ATOM 0 HB3 LEU A 125 -3.382 -1.188 1.005 1.00 0.73 H new ATOM 0 HG LEU A 125 -2.679 0.372 -0.770 1.00 0.68 H new ATOM 0 HD11 LEU A 125 -3.936 -0.609 -2.611 1.00 0.74 H new ATOM 0 HD12 LEU A 125 -3.319 -1.784 -1.425 1.00 0.74 H new ATOM 0 HD13 LEU A 125 -5.043 -1.343 -1.426 1.00 0.74 H new ATOM 0 HD21 LEU A 125 -4.366 1.685 -1.997 1.00 0.74 H new ATOM 0 HD22 LEU A 125 -5.524 1.365 -0.685 1.00 0.74 H new ATOM 0 HD23 LEU A 125 -4.037 2.285 -0.355 1.00 0.74 H new ATOM 1868 N GLY A 126 -7.026 -0.364 -0.162 1.00 0.57 N ATOM 1869 CA GLY A 126 -7.891 -1.049 -1.120 1.00 0.68 C ATOM 1870 C GLY A 126 -7.936 -0.354 -2.483 1.00 0.68 C ATOM 1871 O GLY A 126 -7.627 0.835 -2.591 1.00 1.12 O ATOM 0 H GLY A 126 -7.115 0.652 -0.172 1.00 0.57 H new ATOM 0 HA2 GLY A 126 -7.541 -2.073 -1.251 1.00 0.68 H new ATOM 0 HA3 GLY A 126 -8.901 -1.107 -0.714 1.00 0.68 H new ATOM 1875 N ILE A 127 -8.291 -1.128 -3.519 1.00 0.82 N ATOM 1876 CA ILE A 127 -8.290 -0.754 -4.934 1.00 0.85 C ATOM 1877 C ILE A 127 -9.718 -0.457 -5.385 1.00 0.91 C ATOM 1878 O ILE A 127 -10.607 -1.268 -5.146 1.00 1.31 O ATOM 1879 CB ILE A 127 -7.645 -1.879 -5.780 1.00 1.20 C ATOM 1880 CG1 ILE A 127 -7.753 -1.672 -7.300 1.00 1.21 C ATOM 1881 CG2 ILE A 127 -8.198 -3.282 -5.493 1.00 1.74 C ATOM 1882 CD1 ILE A 127 -6.979 -0.437 -7.733 1.00 2.78 C ATOM 0 H ILE A 127 -8.605 -2.088 -3.379 1.00 0.82 H new ATOM 0 HA ILE A 127 -7.695 0.148 -5.077 1.00 0.85 H new ATOM 0 HB ILE A 127 -6.603 -1.814 -5.466 1.00 1.20 H new ATOM 0 HG12 ILE A 127 -7.367 -2.549 -7.819 1.00 1.21 H new ATOM 0 HG13 ILE A 127 -8.800 -1.569 -7.584 1.00 1.21 H new ATOM 0 HG21 ILE A 127 -7.692 -4.009 -6.128 1.00 1.74 H new ATOM 0 HG22 ILE A 127 -8.027 -3.533 -4.446 1.00 1.74 H new ATOM 0 HG23 ILE A 127 -9.268 -3.301 -5.701 1.00 1.74 H new ATOM 0 HD11 ILE A 127 -7.070 -0.311 -8.812 1.00 2.78 H new ATOM 0 HD12 ILE A 127 -7.384 0.441 -7.229 1.00 2.78 H new ATOM 0 HD13 ILE A 127 -5.928 -0.555 -7.469 1.00 2.78 H new ATOM 1894 N PHE A 128 -9.939 0.681 -6.052 1.00 0.72 N ATOM 1895 CA PHE A 128 -11.274 1.123 -6.414 1.00 0.75 C ATOM 1896 C PHE A 128 -11.357 1.689 -7.827 1.00 1.15 C ATOM 1897 O PHE A 128 -10.353 1.949 -8.500 1.00 1.60 O ATOM 1898 CB PHE A 128 -11.789 2.110 -5.355 1.00 1.64 C ATOM 1899 CG PHE A 128 -12.096 1.429 -4.037 1.00 3.14 C ATOM 1900 CD1 PHE A 128 -13.219 0.584 -3.951 1.00 4.14 C ATOM 1901 CD2 PHE A 128 -11.168 1.469 -2.977 1.00 4.67 C ATOM 1902 CE1 PHE A 128 -13.404 -0.233 -2.825 1.00 5.88 C ATOM 1903 CE2 PHE A 128 -11.373 0.675 -1.835 1.00 6.45 C ATOM 1904 CZ PHE A 128 -12.490 -0.176 -1.761 1.00 6.86 C ATOM 0 H PHE A 128 -9.196 1.313 -6.351 1.00 0.72 H new ATOM 0 HA PHE A 128 -11.926 0.250 -6.428 1.00 0.75 H new ATOM 0 HB2 PHE A 128 -11.044 2.889 -5.194 1.00 1.64 H new ATOM 0 HB3 PHE A 128 -12.688 2.601 -5.726 1.00 1.64 H new ATOM 0 HD1 PHE A 128 -13.941 0.565 -4.754 1.00 4.14 H new ATOM 0 HD2 PHE A 128 -10.300 2.109 -3.042 1.00 4.67 H new ATOM 0 HE1 PHE A 128 -14.248 -0.905 -2.777 1.00 5.88 H new ATOM 0 HE2 PHE A 128 -10.672 0.719 -1.014 1.00 6.45 H new ATOM 0 HZ PHE A 128 -12.645 -0.787 -0.884 1.00 6.86 H new ATOM 1914 N GLY A 129 -12.614 1.780 -8.282 1.00 1.76 N ATOM 1915 CA GLY A 129 -12.988 2.066 -9.656 1.00 2.62 C ATOM 1916 C GLY A 129 -13.301 0.767 -10.410 1.00 1.86 C ATOM 1917 O GLY A 129 -13.822 0.790 -11.527 1.00 2.60 O ATOM 0 H GLY A 129 -13.422 1.650 -7.673 1.00 1.76 H new ATOM 0 HA2 GLY A 129 -13.858 2.722 -9.673 1.00 2.62 H new ATOM 0 HA3 GLY A 129 -12.178 2.598 -10.156 1.00 2.62 H new ATOM 1921 N GLY A 130 -12.976 -0.381 -9.810 1.00 1.24 N ATOM 1922 CA GLY A 130 -13.298 -1.694 -10.342 1.00 1.95 C ATOM 1923 C GLY A 130 -12.212 -2.080 -11.328 1.00 2.01 C ATOM 1924 O GLY A 130 -11.343 -2.887 -11.008 1.00 3.12 O ATOM 0 H GLY A 130 -12.472 -0.417 -8.924 1.00 1.24 H new ATOM 0 HA2 GLY A 130 -13.360 -2.426 -9.537 1.00 1.95 H new ATOM 0 HA3 GLY A 130 -14.271 -1.678 -10.834 1.00 1.95 H new ATOM 1928 N LYS A 131 -12.169 -1.395 -12.475 1.00 1.53 N ATOM 1929 CA LYS A 131 -11.079 -1.547 -13.434 1.00 1.47 C ATOM 1930 C LYS A 131 -9.819 -0.798 -12.972 1.00 1.25 C ATOM 1931 O LYS A 131 -9.217 -0.083 -13.765 1.00 1.56 O ATOM 1932 CB LYS A 131 -11.547 -1.187 -14.860 1.00 1.78 C ATOM 1933 CG LYS A 131 -11.971 0.278 -15.042 1.00 1.92 C ATOM 1934 CD LYS A 131 -12.231 0.633 -16.511 1.00 2.26 C ATOM 1935 CE LYS A 131 -12.417 2.155 -16.634 1.00 2.67 C ATOM 1936 NZ LYS A 131 -12.623 2.596 -18.028 1.00 3.59 N ATOM 0 H LYS A 131 -12.884 -0.726 -12.760 1.00 1.53 H new ATOM 0 HA LYS A 131 -10.786 -2.596 -13.477 1.00 1.47 H new ATOM 0 HB2 LYS A 131 -10.741 -1.408 -15.560 1.00 1.78 H new ATOM 0 HB3 LYS A 131 -12.386 -1.830 -15.126 1.00 1.78 H new ATOM 0 HG2 LYS A 131 -12.873 0.467 -14.460 1.00 1.92 H new ATOM 0 HG3 LYS A 131 -11.193 0.931 -14.646 1.00 1.92 H new ATOM 0 HD2 LYS A 131 -11.397 0.305 -17.131 1.00 2.26 H new ATOM 0 HD3 LYS A 131 -13.120 0.115 -16.872 1.00 2.26 H new ATOM 0 HE2 LYS A 131 -13.271 2.462 -16.031 1.00 2.67 H new ATOM 0 HE3 LYS A 131 -11.541 2.658 -16.225 1.00 2.67 H new ATOM 0 HZ1 LYS A 131 -12.742 3.629 -18.051 1.00 3.59 H new ATOM 0 HZ2 LYS A 131 -11.797 2.330 -18.602 1.00 3.59 H new ATOM 0 HZ3 LYS A 131 -13.474 2.140 -18.414 1.00 3.59 H new ATOM 1950 N ALA A 132 -9.438 -0.966 -11.696 1.00 1.12 N ATOM 1951 CA ALA A 132 -8.268 -0.402 -11.031 1.00 1.02 C ATOM 1952 C ALA A 132 -7.946 1.024 -11.474 1.00 1.09 C ATOM 1953 O ALA A 132 -7.215 1.199 -12.446 1.00 1.60 O ATOM 1954 CB ALA A 132 -7.046 -1.292 -11.288 1.00 1.15 C ATOM 0 H ALA A 132 -9.986 -1.545 -11.060 1.00 1.12 H new ATOM 0 HA ALA A 132 -8.508 -0.363 -9.968 1.00 1.02 H new ATOM 0 HB1 ALA A 132 -6.175 -0.867 -10.790 1.00 1.15 H new ATOM 0 HB2 ALA A 132 -7.235 -2.292 -10.897 1.00 1.15 H new ATOM 0 HB3 ALA A 132 -6.858 -1.351 -12.360 1.00 1.15 H new ATOM 1960 N GLN A 133 -8.443 2.041 -10.763 1.00 0.81 N ATOM 1961 CA GLN A 133 -8.202 3.428 -11.146 1.00 0.89 C ATOM 1962 C GLN A 133 -7.535 4.195 -10.009 1.00 0.85 C ATOM 1963 O GLN A 133 -6.517 4.854 -10.234 1.00 1.03 O ATOM 1964 CB GLN A 133 -9.500 4.074 -11.640 1.00 1.05 C ATOM 1965 CG GLN A 133 -9.822 3.577 -13.064 1.00 1.66 C ATOM 1966 CD GLN A 133 -11.295 3.252 -13.236 1.00 1.67 C ATOM 1967 OE1 GLN A 133 -11.724 2.193 -12.564 1.00 1.99 O flip ATOM 1968 NE2 GLN A 133 -12.022 3.898 -13.984 1.00 2.42 N flip ATOM 0 H GLN A 133 -9.011 1.927 -9.924 1.00 0.81 H new ATOM 0 HA GLN A 133 -7.502 3.460 -11.981 1.00 0.89 H new ATOM 0 HB2 GLN A 133 -10.320 3.827 -10.965 1.00 1.05 H new ATOM 0 HB3 GLN A 133 -9.401 5.159 -11.638 1.00 1.05 H new ATOM 0 HG2 GLN A 133 -9.532 4.339 -13.788 1.00 1.66 H new ATOM 0 HG3 GLN A 133 -9.228 2.689 -13.281 1.00 1.66 H new ATOM 0 HE21 GLN A 133 -11.651 4.707 -14.482 1.00 2.42 H new ATOM 0 HE22 GLN A 133 -12.997 3.626 -14.107 1.00 2.42 H new ATOM 1977 N GLU A 134 -8.087 4.080 -8.797 1.00 0.73 N ATOM 1978 CA GLU A 134 -7.585 4.785 -7.627 1.00 0.77 C ATOM 1979 C GLU A 134 -7.402 3.786 -6.490 1.00 0.69 C ATOM 1980 O GLU A 134 -8.122 2.787 -6.447 1.00 1.07 O ATOM 1981 CB GLU A 134 -8.559 5.907 -7.248 1.00 0.98 C ATOM 1982 CG GLU A 134 -8.771 6.862 -8.432 1.00 1.15 C ATOM 1983 CD GLU A 134 -9.479 8.143 -8.013 1.00 1.59 C ATOM 1984 OE1 GLU A 134 -9.078 9.205 -8.537 1.00 2.60 O ATOM 1985 OE2 GLU A 134 -10.409 8.031 -7.186 1.00 2.35 O ATOM 0 H GLU A 134 -8.898 3.491 -8.605 1.00 0.73 H new ATOM 0 HA GLU A 134 -6.619 5.243 -7.839 1.00 0.77 H new ATOM 0 HB2 GLU A 134 -9.514 5.479 -6.943 1.00 0.98 H new ATOM 0 HB3 GLU A 134 -8.170 6.460 -6.393 1.00 0.98 H new ATOM 0 HG2 GLU A 134 -7.806 7.109 -8.875 1.00 1.15 H new ATOM 0 HG3 GLU A 134 -9.356 6.360 -9.202 1.00 1.15 H new ATOM 1992 N VAL A 135 -6.445 4.039 -5.587 1.00 0.64 N ATOM 1993 CA VAL A 135 -6.257 3.227 -4.384 1.00 0.67 C ATOM 1994 C VAL A 135 -6.257 4.121 -3.151 1.00 0.77 C ATOM 1995 O VAL A 135 -5.702 5.220 -3.186 1.00 1.20 O ATOM 1996 CB VAL A 135 -5.087 2.213 -4.462 1.00 0.63 C ATOM 1997 CG1 VAL A 135 -5.045 1.557 -5.834 1.00 0.79 C ATOM 1998 CG2 VAL A 135 -3.644 2.628 -4.143 1.00 0.88 C ATOM 0 H VAL A 135 -5.783 4.810 -5.672 1.00 0.64 H new ATOM 0 HA VAL A 135 -7.114 2.559 -4.298 1.00 0.67 H new ATOM 0 HB VAL A 135 -5.364 1.572 -3.625 1.00 0.63 H new ATOM 0 HG11 VAL A 135 -4.218 0.848 -5.873 1.00 0.79 H new ATOM 0 HG12 VAL A 135 -5.983 1.032 -6.015 1.00 0.79 H new ATOM 0 HG13 VAL A 135 -4.904 2.321 -6.598 1.00 0.79 H new ATOM 0 HG21 VAL A 135 -2.984 1.768 -4.259 1.00 0.88 H new ATOM 0 HG22 VAL A 135 -3.333 3.418 -4.826 1.00 0.88 H new ATOM 0 HG23 VAL A 135 -3.589 2.992 -3.117 1.00 0.88 H new ATOM 2008 N ALA A 136 -6.935 3.666 -2.094 1.00 0.69 N ATOM 2009 CA ALA A 136 -7.193 4.443 -0.889 1.00 0.74 C ATOM 2010 C ALA A 136 -6.781 3.610 0.318 1.00 0.72 C ATOM 2011 O ALA A 136 -7.176 2.447 0.415 1.00 0.75 O ATOM 2012 CB ALA A 136 -8.681 4.800 -0.826 1.00 0.83 C ATOM 0 H ALA A 136 -7.327 2.725 -2.056 1.00 0.69 H new ATOM 0 HA ALA A 136 -6.620 5.370 -0.896 1.00 0.74 H new ATOM 0 HB1 ALA A 136 -8.878 5.382 0.075 1.00 0.83 H new ATOM 0 HB2 ALA A 136 -8.952 5.387 -1.704 1.00 0.83 H new ATOM 0 HB3 ALA A 136 -9.274 3.886 -0.804 1.00 0.83 H new ATOM 2018 N GLY A 137 -5.940 4.166 1.193 1.00 0.71 N ATOM 2019 CA GLY A 137 -5.424 3.451 2.347 1.00 0.73 C ATOM 2020 C GLY A 137 -4.954 4.393 3.448 1.00 0.71 C ATOM 2021 O GLY A 137 -4.947 5.615 3.282 1.00 0.76 O ATOM 0 H GLY A 137 -5.602 5.125 1.115 1.00 0.71 H new ATOM 0 HA2 GLY A 137 -6.199 2.794 2.741 1.00 0.73 H new ATOM 0 HA3 GLY A 137 -4.594 2.816 2.037 1.00 0.73 H new ATOM 2025 N SER A 138 -4.491 3.806 4.551 1.00 0.71 N ATOM 2026 CA SER A 138 -3.650 4.508 5.502 1.00 0.71 C ATOM 2027 C SER A 138 -2.547 3.569 5.995 1.00 0.65 C ATOM 2028 O SER A 138 -2.774 2.363 6.115 1.00 0.72 O ATOM 2029 CB SER A 138 -4.503 5.066 6.646 1.00 0.91 C ATOM 2030 OG SER A 138 -3.721 5.844 7.530 1.00 2.61 O ATOM 0 H SER A 138 -4.690 2.838 4.803 1.00 0.71 H new ATOM 0 HA SER A 138 -3.167 5.360 5.022 1.00 0.71 H new ATOM 0 HB2 SER A 138 -5.311 5.674 6.239 1.00 0.91 H new ATOM 0 HB3 SER A 138 -4.967 4.245 7.192 1.00 0.91 H new ATOM 0 HG SER A 138 -3.023 6.310 7.025 1.00 2.61 H new ATOM 2036 N ALA A 139 -1.361 4.133 6.252 1.00 0.67 N ATOM 2037 CA ALA A 139 -0.269 3.478 6.968 1.00 0.70 C ATOM 2038 C ALA A 139 -0.069 4.106 8.347 1.00 0.73 C ATOM 2039 O ALA A 139 -0.260 5.312 8.506 1.00 0.82 O ATOM 2040 CB ALA A 139 1.047 3.560 6.180 1.00 0.81 C ATOM 0 H ALA A 139 -1.132 5.083 5.958 1.00 0.67 H new ATOM 0 HA ALA A 139 -0.545 2.430 7.084 1.00 0.70 H new ATOM 0 HB1 ALA A 139 1.839 3.063 6.741 1.00 0.81 H new ATOM 0 HB2 ALA A 139 0.924 3.070 5.214 1.00 0.81 H new ATOM 0 HB3 ALA A 139 1.314 4.605 6.025 1.00 0.81 H new ATOM 2046 N GLU A 140 0.419 3.306 9.298 1.00 0.82 N ATOM 2047 CA GLU A 140 1.234 3.804 10.401 1.00 1.10 C ATOM 2048 C GLU A 140 2.628 3.180 10.341 1.00 1.14 C ATOM 2049 O GLU A 140 2.748 1.959 10.235 1.00 1.39 O ATOM 2050 CB GLU A 140 0.566 3.610 11.771 1.00 1.42 C ATOM 2051 CG GLU A 140 0.419 2.194 12.338 1.00 1.78 C ATOM 2052 CD GLU A 140 -0.018 2.283 13.795 1.00 2.10 C ATOM 2053 OE1 GLU A 140 0.853 2.558 14.652 1.00 3.21 O ATOM 2054 OE2 GLU A 140 -1.225 2.169 14.084 1.00 2.33 O ATOM 0 H GLU A 140 0.259 2.299 9.323 1.00 0.82 H new ATOM 0 HA GLU A 140 1.334 4.883 10.282 1.00 1.10 H new ATOM 0 HB2 GLU A 140 1.129 4.197 12.497 1.00 1.42 H new ATOM 0 HB3 GLU A 140 -0.432 4.046 11.714 1.00 1.42 H new ATOM 0 HG2 GLU A 140 -0.314 1.632 11.759 1.00 1.78 H new ATOM 0 HG3 GLU A 140 1.365 1.658 12.261 1.00 1.78 H new ATOM 2061 N VAL A 141 3.676 4.012 10.405 1.00 1.13 N ATOM 2062 CA VAL A 141 5.071 3.575 10.390 1.00 1.19 C ATOM 2063 C VAL A 141 5.812 4.318 11.502 1.00 1.45 C ATOM 2064 O VAL A 141 6.227 5.460 11.317 1.00 2.13 O ATOM 2065 CB VAL A 141 5.697 3.737 8.982 1.00 1.17 C ATOM 2066 CG1 VAL A 141 4.750 3.168 7.916 1.00 1.93 C ATOM 2067 CG2 VAL A 141 6.048 5.163 8.533 1.00 2.42 C ATOM 0 H VAL A 141 3.572 5.025 10.470 1.00 1.13 H new ATOM 0 HA VAL A 141 5.150 2.507 10.595 1.00 1.19 H new ATOM 0 HB VAL A 141 6.640 3.198 9.075 1.00 1.17 H new ATOM 0 HG11 VAL A 141 5.199 3.287 6.930 1.00 1.93 H new ATOM 0 HG12 VAL A 141 4.577 2.110 8.111 1.00 1.93 H new ATOM 0 HG13 VAL A 141 3.801 3.703 7.949 1.00 1.93 H new ATOM 0 HG21 VAL A 141 6.477 5.134 7.532 1.00 2.42 H new ATOM 0 HG22 VAL A 141 5.145 5.774 8.523 1.00 2.42 H new ATOM 0 HG23 VAL A 141 6.771 5.595 9.225 1.00 2.42 H new ATOM 2077 N LYS A 142 5.957 3.726 12.695 1.00 1.06 N ATOM 2078 CA LYS A 142 6.433 4.533 13.822 1.00 1.21 C ATOM 2079 C LYS A 142 7.954 4.461 13.885 1.00 1.51 C ATOM 2080 O LYS A 142 8.530 4.004 14.872 1.00 2.01 O ATOM 2081 CB LYS A 142 5.742 4.125 15.125 1.00 1.45 C ATOM 2082 CG LYS A 142 6.032 2.671 15.514 1.00 1.64 C ATOM 2083 CD LYS A 142 4.748 1.827 15.492 1.00 1.97 C ATOM 2084 CE LYS A 142 3.795 2.194 16.641 1.00 2.30 C ATOM 2085 NZ LYS A 142 2.463 1.584 16.463 1.00 2.82 N ATOM 0 H LYS A 142 5.764 2.745 12.899 1.00 1.06 H new ATOM 0 HA LYS A 142 6.165 5.579 13.672 1.00 1.21 H new ATOM 0 HB2 LYS A 142 6.070 4.785 15.928 1.00 1.45 H new ATOM 0 HB3 LYS A 142 4.666 4.262 15.020 1.00 1.45 H new ATOM 0 HG2 LYS A 142 6.762 2.246 14.826 1.00 1.64 H new ATOM 0 HG3 LYS A 142 6.475 2.639 16.509 1.00 1.64 H new ATOM 0 HD2 LYS A 142 4.238 1.969 14.539 1.00 1.97 H new ATOM 0 HD3 LYS A 142 5.008 0.771 15.560 1.00 1.97 H new ATOM 0 HE2 LYS A 142 4.223 1.864 17.588 1.00 2.30 H new ATOM 0 HE3 LYS A 142 3.694 3.278 16.698 1.00 2.30 H new ATOM 0 HZ1 LYS A 142 2.037 1.403 17.394 1.00 2.82 H new ATOM 0 HZ2 LYS A 142 1.854 2.231 15.923 1.00 2.82 H new ATOM 0 HZ3 LYS A 142 2.558 0.687 15.946 1.00 2.82 H new ATOM 2099 N THR A 143 8.603 4.877 12.801 1.00 1.91 N ATOM 2100 CA THR A 143 10.046 4.739 12.731 1.00 2.40 C ATOM 2101 C THR A 143 10.692 5.873 13.518 1.00 2.33 C ATOM 2102 O THR A 143 10.073 6.915 13.744 1.00 2.19 O ATOM 2103 CB THR A 143 10.572 4.637 11.286 1.00 2.64 C ATOM 2104 OG1 THR A 143 10.836 5.902 10.735 1.00 3.24 O ATOM 2105 CG2 THR A 143 9.639 3.845 10.363 1.00 3.19 C ATOM 0 H THR A 143 8.164 5.300 11.983 1.00 1.91 H new ATOM 0 HA THR A 143 10.327 3.791 13.189 1.00 2.40 H new ATOM 0 HB THR A 143 11.509 4.084 11.356 1.00 2.64 H new ATOM 0 HG1 THR A 143 10.207 6.079 10.005 1.00 3.24 H new ATOM 0 HG21 THR A 143 10.064 3.809 9.360 1.00 3.19 H new ATOM 0 HG22 THR A 143 9.524 2.831 10.745 1.00 3.19 H new ATOM 0 HG23 THR A 143 8.664 4.332 10.326 1.00 3.19 H new ATOM 2113 N VAL A 144 11.971 5.711 13.861 1.00 2.48 N ATOM 2114 CA VAL A 144 12.801 6.792 14.377 1.00 2.49 C ATOM 2115 C VAL A 144 12.746 8.061 13.499 1.00 2.45 C ATOM 2116 O VAL A 144 13.088 9.138 13.981 1.00 2.65 O ATOM 2117 CB VAL A 144 14.222 6.258 14.657 1.00 2.52 C ATOM 2118 CG1 VAL A 144 14.904 5.628 13.434 1.00 4.50 C ATOM 2119 CG2 VAL A 144 15.140 7.329 15.261 1.00 3.31 C ATOM 0 H VAL A 144 12.460 4.819 13.787 1.00 2.48 H new ATOM 0 HA VAL A 144 12.396 7.134 15.329 1.00 2.49 H new ATOM 0 HB VAL A 144 14.069 5.465 15.389 1.00 2.52 H new ATOM 0 HG11 VAL A 144 15.898 5.277 13.712 1.00 4.50 H new ATOM 0 HG12 VAL A 144 14.309 4.787 13.078 1.00 4.50 H new ATOM 0 HG13 VAL A 144 14.990 6.372 12.642 1.00 4.50 H new ATOM 0 HG21 VAL A 144 16.127 6.903 15.439 1.00 3.31 H new ATOM 0 HG22 VAL A 144 15.226 8.167 14.569 1.00 3.31 H new ATOM 0 HG23 VAL A 144 14.720 7.678 16.204 1.00 3.31 H new ATOM 2129 N ASN A 145 12.287 7.977 12.238 1.00 2.27 N ATOM 2130 CA ASN A 145 11.875 9.177 11.497 1.00 2.10 C ATOM 2131 C ASN A 145 10.600 8.851 10.713 1.00 1.87 C ATOM 2132 O ASN A 145 10.571 9.039 9.498 1.00 1.99 O ATOM 2133 CB ASN A 145 12.945 9.661 10.485 1.00 2.42 C ATOM 2134 CG ASN A 145 14.393 9.755 10.948 1.00 2.51 C ATOM 2135 OD1 ASN A 145 15.049 10.781 10.775 1.00 3.36 O ATOM 2136 ND2 ASN A 145 14.963 8.635 11.371 1.00 2.29 N ATOM 0 H ASN A 145 12.194 7.104 11.719 1.00 2.27 H new ATOM 0 HA ASN A 145 11.722 9.971 12.228 1.00 2.10 H new ATOM 0 HB2 ASN A 145 12.915 8.992 9.625 1.00 2.42 H new ATOM 0 HB3 ASN A 145 12.645 10.648 10.132 1.00 2.42 H new ATOM 0 HD21 ASN A 145 15.965 8.613 11.560 1.00 2.29 H new ATOM 0 HD22 ASN A 145 14.399 7.796 11.508 1.00 2.29 H new ATOM 2143 N GLY A 146 9.543 8.378 11.379 1.00 1.73 N ATOM 2144 CA GLY A 146 8.390 7.833 10.683 1.00 1.67 C ATOM 2145 C GLY A 146 7.097 8.292 11.330 1.00 1.16 C ATOM 2146 O GLY A 146 7.033 8.523 12.537 1.00 1.42 O ATOM 0 H GLY A 146 9.468 8.364 12.396 1.00 1.73 H new ATOM 0 HA2 GLY A 146 8.410 8.146 9.639 1.00 1.67 H new ATOM 0 HA3 GLY A 146 8.438 6.744 10.690 1.00 1.67 H new ATOM 2150 N ILE A 147 6.076 8.444 10.492 1.00 0.69 N ATOM 2151 CA ILE A 147 4.799 9.022 10.832 1.00 0.61 C ATOM 2152 C ILE A 147 3.787 7.912 11.118 1.00 0.82 C ATOM 2153 O ILE A 147 3.644 6.943 10.369 1.00 1.48 O ATOM 2154 CB ILE A 147 4.336 9.984 9.714 1.00 0.99 C ATOM 2155 CG1 ILE A 147 4.720 9.498 8.312 1.00 1.43 C ATOM 2156 CG2 ILE A 147 4.813 11.416 9.981 1.00 1.51 C ATOM 2157 CD1 ILE A 147 6.089 9.954 7.797 1.00 1.45 C ATOM 0 H ILE A 147 6.128 8.152 9.516 1.00 0.69 H new ATOM 0 HA ILE A 147 4.889 9.616 11.741 1.00 0.61 H new ATOM 0 HB ILE A 147 3.246 9.991 9.736 1.00 0.99 H new ATOM 0 HG12 ILE A 147 4.696 8.408 8.307 1.00 1.43 H new ATOM 0 HG13 ILE A 147 3.958 9.837 7.610 1.00 1.43 H new ATOM 0 HG21 ILE A 147 4.472 12.069 9.178 1.00 1.51 H new ATOM 0 HG22 ILE A 147 4.405 11.764 10.930 1.00 1.51 H new ATOM 0 HG23 ILE A 147 5.902 11.434 10.026 1.00 1.51 H new ATOM 0 HD11 ILE A 147 6.254 9.552 6.798 1.00 1.45 H new ATOM 0 HD12 ILE A 147 6.119 11.043 7.759 1.00 1.45 H new ATOM 0 HD13 ILE A 147 6.869 9.592 8.467 1.00 1.45 H new ATOM 2169 N ARG A 148 3.063 8.069 12.224 1.00 0.69 N ATOM 2170 CA ARG A 148 2.031 7.125 12.624 1.00 0.92 C ATOM 2171 C ARG A 148 0.750 7.327 11.801 1.00 1.08 C ATOM 2172 O ARG A 148 -0.145 6.487 11.831 1.00 1.98 O ATOM 2173 CB ARG A 148 1.760 7.208 14.139 1.00 1.24 C ATOM 2174 CG ARG A 148 1.174 5.866 14.601 1.00 1.47 C ATOM 2175 CD ARG A 148 0.511 5.851 15.976 1.00 1.74 C ATOM 2176 NE ARG A 148 -0.272 4.605 16.076 1.00 2.38 N ATOM 2177 CZ ARG A 148 -1.529 4.486 16.529 1.00 2.76 C ATOM 2178 NH1 ARG A 148 -2.039 5.422 17.338 1.00 3.00 N ATOM 2179 NH2 ARG A 148 -2.268 3.436 16.164 1.00 3.46 N ATOM 0 H ARG A 148 3.178 8.854 12.865 1.00 0.69 H new ATOM 0 HA ARG A 148 2.394 6.118 12.416 1.00 0.92 H new ATOM 0 HB2 ARG A 148 2.682 7.425 14.678 1.00 1.24 H new ATOM 0 HB3 ARG A 148 1.066 8.020 14.356 1.00 1.24 H new ATOM 0 HG2 ARG A 148 0.439 5.543 13.864 1.00 1.47 H new ATOM 0 HG3 ARG A 148 1.974 5.126 14.600 1.00 1.47 H new ATOM 0 HD2 ARG A 148 1.262 5.896 16.765 1.00 1.74 H new ATOM 0 HD3 ARG A 148 -0.134 6.721 16.100 1.00 1.74 H new ATOM 0 HE ARG A 148 0.189 3.748 15.770 1.00 2.38 H new ATOM 0 HH11 ARG A 148 -1.472 6.225 17.610 1.00 3.00 H new ATOM 0 HH12 ARG A 148 -2.995 5.332 17.683 1.00 3.00 H new ATOM 0 HH21 ARG A 148 -1.876 2.728 15.543 1.00 3.46 H new ATOM 0 HH22 ARG A 148 -3.224 3.342 16.506 1.00 3.46 H new ATOM 2193 N HIS A 149 0.614 8.447 11.091 1.00 0.75 N ATOM 2194 CA HIS A 149 -0.540 8.709 10.248 1.00 0.81 C ATOM 2195 C HIS A 149 -0.034 9.044 8.852 1.00 0.75 C ATOM 2196 O HIS A 149 0.383 10.173 8.600 1.00 0.98 O ATOM 2197 CB HIS A 149 -1.390 9.825 10.866 1.00 0.96 C ATOM 2198 CG HIS A 149 -2.071 9.423 12.154 1.00 1.06 C ATOM 2199 ND1 HIS A 149 -2.188 8.142 12.648 1.00 2.65 N ATOM 2200 CD2 HIS A 149 -2.684 10.263 13.045 1.00 1.42 C ATOM 2201 CE1 HIS A 149 -2.853 8.213 13.812 1.00 2.19 C ATOM 2202 NE2 HIS A 149 -3.174 9.485 14.100 1.00 1.05 N ATOM 0 H HIS A 149 1.306 9.197 11.088 1.00 0.75 H new ATOM 0 HA HIS A 149 -1.190 7.837 10.173 1.00 0.81 H new ATOM 0 HB2 HIS A 149 -0.756 10.691 11.055 1.00 0.96 H new ATOM 0 HB3 HIS A 149 -2.147 10.135 10.146 1.00 0.96 H new ATOM 0 HD1 HIS A 149 -1.833 7.293 12.208 1.00 2.65 H new ATOM 0 HD2 HIS A 149 -2.773 11.335 12.950 1.00 1.42 H new ATOM 0 HE1 HIS A 149 -3.097 7.363 14.432 1.00 2.19 H new ATOM 2210 N ILE A 150 -0.057 8.049 7.964 1.00 0.61 N ATOM 2211 CA ILE A 150 0.163 8.223 6.542 1.00 0.57 C ATOM 2212 C ILE A 150 -1.186 8.116 5.844 1.00 0.69 C ATOM 2213 O ILE A 150 -1.832 7.072 5.936 1.00 0.87 O ATOM 2214 CB ILE A 150 1.136 7.162 6.005 1.00 0.63 C ATOM 2215 CG1 ILE A 150 2.469 7.242 6.765 1.00 0.92 C ATOM 2216 CG2 ILE A 150 1.352 7.373 4.505 1.00 1.08 C ATOM 2217 CD1 ILE A 150 3.656 6.595 6.042 1.00 1.11 C ATOM 0 H ILE A 150 -0.234 7.080 8.228 1.00 0.61 H new ATOM 0 HA ILE A 150 0.611 9.198 6.350 1.00 0.57 H new ATOM 0 HB ILE A 150 0.713 6.169 6.159 1.00 0.63 H new ATOM 0 HG12 ILE A 150 2.703 8.290 6.953 1.00 0.92 H new ATOM 0 HG13 ILE A 150 2.347 6.763 7.737 1.00 0.92 H new ATOM 0 HG21 ILE A 150 2.043 6.619 4.127 1.00 1.08 H new ATOM 0 HG22 ILE A 150 0.398 7.285 3.984 1.00 1.08 H new ATOM 0 HG23 ILE A 150 1.769 8.365 4.334 1.00 1.08 H new ATOM 0 HD11 ILE A 150 4.554 6.699 6.651 1.00 1.11 H new ATOM 0 HD12 ILE A 150 3.449 5.537 5.878 1.00 1.11 H new ATOM 0 HD13 ILE A 150 3.810 7.088 5.082 1.00 1.11 H new ATOM 2229 N GLY A 151 -1.588 9.162 5.122 1.00 0.70 N ATOM 2230 CA GLY A 151 -2.683 9.100 4.175 1.00 0.78 C ATOM 2231 C GLY A 151 -2.150 8.493 2.881 1.00 0.64 C ATOM 2232 O GLY A 151 -1.187 9.003 2.304 1.00 0.77 O ATOM 0 H GLY A 151 -1.153 10.082 5.184 1.00 0.70 H new ATOM 0 HA2 GLY A 151 -3.498 8.495 4.573 1.00 0.78 H new ATOM 0 HA3 GLY A 151 -3.086 10.096 3.992 1.00 0.78 H new ATOM 2236 N LEU A 152 -2.742 7.380 2.440 1.00 0.60 N ATOM 2237 CA LEU A 152 -2.339 6.701 1.222 1.00 0.71 C ATOM 2238 C LEU A 152 -3.398 7.000 0.167 1.00 0.61 C ATOM 2239 O LEU A 152 -4.524 6.509 0.271 1.00 0.64 O ATOM 2240 CB LEU A 152 -2.203 5.210 1.535 1.00 1.05 C ATOM 2241 CG LEU A 152 -1.595 4.324 0.451 1.00 0.69 C ATOM 2242 CD1 LEU A 152 -2.418 4.278 -0.839 1.00 0.62 C ATOM 2243 CD2 LEU A 152 -0.141 4.692 0.151 1.00 0.96 C ATOM 0 H LEU A 152 -3.517 6.928 2.925 1.00 0.60 H new ATOM 0 HA LEU A 152 -1.376 7.040 0.839 1.00 0.71 H new ATOM 0 HB2 LEU A 152 -1.597 5.107 2.435 1.00 1.05 H new ATOM 0 HB3 LEU A 152 -3.194 4.823 1.772 1.00 1.05 H new ATOM 0 HG LEU A 152 -1.614 3.318 0.869 1.00 0.69 H new ATOM 0 HD11 LEU A 152 -1.924 3.629 -1.563 1.00 0.62 H new ATOM 0 HD12 LEU A 152 -3.413 3.889 -0.622 1.00 0.62 H new ATOM 0 HD13 LEU A 152 -2.504 5.283 -1.252 1.00 0.62 H new ATOM 0 HD21 LEU A 152 0.248 4.034 -0.626 1.00 0.96 H new ATOM 0 HD22 LEU A 152 -0.090 5.726 -0.190 1.00 0.96 H new ATOM 0 HD23 LEU A 152 0.457 4.578 1.055 1.00 0.96 H new ATOM 2255 N ALA A 153 -3.040 7.821 -0.824 1.00 0.70 N ATOM 2256 CA ALA A 153 -3.937 8.255 -1.885 1.00 0.86 C ATOM 2257 C ALA A 153 -3.268 7.991 -3.230 1.00 0.83 C ATOM 2258 O ALA A 153 -2.195 8.531 -3.496 1.00 1.11 O ATOM 2259 CB ALA A 153 -4.244 9.745 -1.709 1.00 1.15 C ATOM 0 H ALA A 153 -2.100 8.207 -0.908 1.00 0.70 H new ATOM 0 HA ALA A 153 -4.876 7.704 -1.843 1.00 0.86 H new ATOM 0 HB1 ALA A 153 -4.916 10.074 -2.502 1.00 1.15 H new ATOM 0 HB2 ALA A 153 -4.718 9.907 -0.741 1.00 1.15 H new ATOM 0 HB3 ALA A 153 -3.317 10.316 -1.759 1.00 1.15 H new ATOM 2265 N ALA A 154 -3.884 7.153 -4.068 1.00 0.82 N ATOM 2266 CA ALA A 154 -3.370 6.822 -5.387 1.00 0.77 C ATOM 2267 C ALA A 154 -4.389 7.099 -6.472 1.00 0.80 C ATOM 2268 O ALA A 154 -5.573 6.827 -6.290 1.00 0.98 O ATOM 2269 CB ALA A 154 -3.025 5.346 -5.455 1.00 0.92 C ATOM 0 H ALA A 154 -4.761 6.684 -3.842 1.00 0.82 H new ATOM 0 HA ALA A 154 -2.488 7.442 -5.548 1.00 0.77 H new ATOM 0 HB1 ALA A 154 -2.641 5.107 -6.447 1.00 0.92 H new ATOM 0 HB2 ALA A 154 -2.267 5.115 -4.707 1.00 0.92 H new ATOM 0 HB3 ALA A 154 -3.919 4.754 -5.260 1.00 0.92 H new ATOM 2275 N LYS A 155 -3.873 7.553 -7.611 1.00 0.89 N ATOM 2276 CA LYS A 155 -4.553 7.702 -8.875 1.00 0.91 C ATOM 2277 C LYS A 155 -3.445 7.646 -9.925 1.00 1.26 C ATOM 2278 O LYS A 155 -2.454 8.357 -9.769 1.00 1.82 O ATOM 2279 CB LYS A 155 -5.262 9.058 -8.908 1.00 1.34 C ATOM 2280 CG LYS A 155 -6.043 9.252 -10.215 1.00 1.76 C ATOM 2281 CD LYS A 155 -6.038 10.727 -10.622 1.00 1.83 C ATOM 2282 CE LYS A 155 -4.794 10.972 -11.487 1.00 3.34 C ATOM 2283 NZ LYS A 155 -4.543 12.397 -11.754 1.00 4.61 N ATOM 0 H LYS A 155 -2.897 7.845 -7.669 1.00 0.89 H new ATOM 0 HA LYS A 155 -5.308 6.934 -9.047 1.00 0.91 H new ATOM 0 HB2 LYS A 155 -5.944 9.134 -8.061 1.00 1.34 H new ATOM 0 HB3 LYS A 155 -4.528 9.856 -8.799 1.00 1.34 H new ATOM 0 HG2 LYS A 155 -5.598 8.648 -11.006 1.00 1.76 H new ATOM 0 HG3 LYS A 155 -7.069 8.906 -10.089 1.00 1.76 H new ATOM 0 HD2 LYS A 155 -6.943 10.973 -11.177 1.00 1.83 H new ATOM 0 HD3 LYS A 155 -6.021 11.367 -9.739 1.00 1.83 H new ATOM 0 HE2 LYS A 155 -3.924 10.544 -10.989 1.00 3.34 H new ATOM 0 HE3 LYS A 155 -4.910 10.447 -12.435 1.00 3.34 H new ATOM 0 HZ1 LYS A 155 -3.691 12.495 -12.342 1.00 4.61 H new ATOM 0 HZ2 LYS A 155 -5.358 12.805 -12.255 1.00 4.61 H new ATOM 0 HZ3 LYS A 155 -4.403 12.899 -10.854 1.00 4.61 H new ATOM 2297 N GLN A 156 -3.608 6.808 -10.951 1.00 1.32 N ATOM 2298 CA GLN A 156 -2.737 6.743 -12.119 1.00 1.86 C ATOM 2299 C GLN A 156 -2.257 8.121 -12.590 1.00 3.16 C ATOM 2300 O GLN A 156 -1.022 8.283 -12.714 1.00 4.31 O ATOM 2301 CB GLN A 156 -3.524 6.038 -13.226 1.00 2.19 C ATOM 2302 CG GLN A 156 -3.693 4.564 -12.839 1.00 2.22 C ATOM 2303 CD GLN A 156 -4.918 3.884 -13.434 1.00 3.09 C ATOM 2304 OE1 GLN A 156 -5.771 4.497 -14.070 1.00 4.44 O ATOM 2305 NE2 GLN A 156 -5.027 2.591 -13.166 1.00 3.23 N ATOM 0 H GLN A 156 -4.375 6.136 -10.990 1.00 1.32 H new ATOM 0 HA GLN A 156 -1.831 6.196 -11.858 1.00 1.86 H new ATOM 0 HB2 GLN A 156 -4.498 6.509 -13.357 1.00 2.19 H new ATOM 0 HB3 GLN A 156 -2.998 6.122 -14.177 1.00 2.19 H new ATOM 0 HG2 GLN A 156 -2.804 4.017 -13.151 1.00 2.22 H new ATOM 0 HG3 GLN A 156 -3.747 4.492 -11.753 1.00 2.22 H new ATOM 0 HE21 GLN A 156 -4.297 2.117 -12.634 1.00 3.23 H new ATOM 0 HE22 GLN A 156 -5.841 2.070 -13.491 1.00 3.23 H new