USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 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 116 ASN : amide:sc= 1.41 X(o=1.9,f=1.9) USER MOD Set 1.2: A 117 GLN : amide:sc= 0.457 X(o=1.9,f=1.9) USER MOD Set 2.1: A 115 TYR OH : rot -109:sc= 1.78 USER MOD Set 2.2: A 145 ASN : amide:sc= -0.482 K(o=1.3,f=-0.15!) USER MOD Set 3.1: A 86 LYS NZ :NH3+ 152:sc= 1.3 (180deg=0) USER MOD Set 3.2: A 87 SER OG : rot -130:sc= 0.729 USER MOD Set 4.1: A 52 THR OG1 : rot -116:sc= 0.822 USER MOD Set 4.2: A 156 GLN : amide:sc= 1.39 K(o=2.2,f=-5.3!) USER MOD Set 5.1: A 39 HIS : no HE2:sc= -4.04! C(o=-2.7!,f=-15!) USER MOD Set 5.2: A 40 THR OG1 : rot -166:sc= 1.31 USER MOD Single : A 41 SER OG : rot 13:sc= 1.08 USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= -0.209 (180deg=-0.284) USER MOD Single : A 53 TYR OH : rot -3:sc= 0.771 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.000113 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 1.01 (180deg=0.719) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 3:sc= 0.534 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 1.04 (180deg=0.957) USER MOD Single : A 77 GLN : amide:sc= 0.822 K(o=0.82,f=-3.5!) USER MOD Single : A 79 ASN : amide:sc= 0.228 K(o=0.23,f=-7.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.461 K(o=0.46,f=-2.8!) USER MOD Single : A 91 ASN : amide:sc= 2.7 K(o=2.7,f=-9.7!) USER MOD Single : A 100 LYS NZ :NH3+ 148:sc= -0.0281 (180deg=-0.217) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0739) USER MOD Single : A 106 HIS : no HE2:sc= 0.939 K(o=0.94,f=-3.4!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 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 10:sc= 0.709 USER MOD Single : A 124 SER OG : rot 29:sc= 0.607 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= 0.00274 X(o=0.0027,f=-0.016) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 154:sc= -0.124 (180deg=-1.05) USER MOD Single : A 143 THR OG1 : rot -164:sc= 1.2 USER MOD Single : A 149 HIS : no HE2:sc= 0.847 K(o=0.85,f=-5!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.984 -15.343 -4.482 1.00 2.83 N ATOM 561 CA GLY A 37 -10.684 -13.917 -4.454 1.00 2.15 C ATOM 562 C GLY A 37 -11.811 -13.047 -5.007 1.00 1.78 C ATOM 563 O GLY A 37 -11.523 -12.096 -5.740 1.00 2.00 O ATOM 0 HA2 GLY A 37 -10.475 -13.618 -3.427 1.00 2.15 H new ATOM 0 HA3 GLY A 37 -9.777 -13.733 -5.030 1.00 2.15 H new ATOM 567 N GLU A 38 -13.059 -13.364 -4.635 1.00 2.09 N ATOM 568 CA GLU A 38 -14.309 -12.679 -4.961 1.00 2.21 C ATOM 569 C GLU A 38 -14.148 -11.263 -5.526 1.00 1.71 C ATOM 570 O GLU A 38 -13.911 -11.130 -6.725 1.00 1.49 O ATOM 571 CB GLU A 38 -15.281 -12.705 -3.764 1.00 2.77 C ATOM 572 CG GLU A 38 -15.769 -14.109 -3.378 1.00 3.40 C ATOM 573 CD GLU A 38 -14.769 -14.856 -2.507 1.00 3.22 C ATOM 574 OE1 GLU A 38 -14.930 -14.799 -1.270 1.00 4.39 O ATOM 575 OE2 GLU A 38 -13.851 -15.450 -3.112 1.00 3.32 O ATOM 0 H GLU A 38 -13.230 -14.179 -4.046 1.00 2.09 H new ATOM 0 HA GLU A 38 -14.739 -13.251 -5.783 1.00 2.21 H new ATOM 0 HB2 GLU A 38 -14.790 -12.254 -2.902 1.00 2.77 H new ATOM 0 HB3 GLU A 38 -16.146 -12.084 -3.999 1.00 2.77 H new ATOM 0 HG2 GLU A 38 -16.718 -14.027 -2.847 1.00 3.40 H new ATOM 0 HG3 GLU A 38 -15.959 -14.686 -4.283 1.00 3.40 H new ATOM 582 N HIS A 39 -14.345 -10.199 -4.730 1.00 1.79 N ATOM 583 CA HIS A 39 -14.406 -8.848 -5.279 1.00 1.82 C ATOM 584 C HIS A 39 -13.156 -8.505 -6.078 1.00 1.35 C ATOM 585 O HIS A 39 -13.247 -7.909 -7.148 1.00 1.56 O ATOM 586 CB HIS A 39 -14.586 -7.805 -4.182 1.00 2.43 C ATOM 587 CG HIS A 39 -13.399 -7.683 -3.265 1.00 4.00 C ATOM 588 ND1 HIS A 39 -13.048 -8.572 -2.283 1.00 4.62 N ATOM 589 CD2 HIS A 39 -12.485 -6.666 -3.255 1.00 5.89 C ATOM 590 CE1 HIS A 39 -11.959 -8.086 -1.667 1.00 6.63 C ATOM 591 NE2 HIS A 39 -11.614 -6.897 -2.190 1.00 7.42 N ATOM 0 H HIS A 39 -14.463 -10.253 -3.718 1.00 1.79 H new ATOM 0 HA HIS A 39 -15.271 -8.829 -5.942 1.00 1.82 H new ATOM 0 HB2 HIS A 39 -14.780 -6.836 -4.642 1.00 2.43 H new ATOM 0 HB3 HIS A 39 -15.466 -8.059 -3.591 1.00 2.43 H new ATOM 0 HD1 HIS A 39 -13.527 -9.445 -2.061 1.00 4.62 H new ATOM 0 HD2 HIS A 39 -12.445 -5.836 -3.945 1.00 5.89 H new ATOM 0 HE1 HIS A 39 -11.434 -8.581 -0.864 1.00 6.63 H new ATOM 599 N THR A 40 -11.996 -8.864 -5.524 1.00 1.07 N ATOM 600 CA THR A 40 -10.687 -8.552 -6.041 1.00 1.16 C ATOM 601 C THR A 40 -10.639 -8.895 -7.518 1.00 1.09 C ATOM 602 O THR A 40 -10.359 -8.046 -8.358 1.00 1.51 O ATOM 603 CB THR A 40 -9.670 -9.358 -5.220 1.00 1.48 C ATOM 604 OG1 THR A 40 -10.067 -9.304 -3.865 1.00 2.70 O ATOM 605 CG2 THR A 40 -8.259 -8.800 -5.381 1.00 2.26 C ATOM 0 H THR A 40 -11.956 -9.406 -4.661 1.00 1.07 H new ATOM 0 HA THR A 40 -10.452 -7.491 -5.953 1.00 1.16 H new ATOM 0 HB THR A 40 -9.649 -10.389 -5.574 1.00 1.48 H new ATOM 0 HG1 THR A 40 -9.332 -9.616 -3.296 1.00 2.70 H new ATOM 0 HG21 THR A 40 -7.563 -9.393 -4.787 1.00 2.26 H new ATOM 0 HG22 THR A 40 -7.968 -8.843 -6.431 1.00 2.26 H new ATOM 0 HG23 THR A 40 -8.236 -7.765 -5.040 1.00 2.26 H new ATOM 613 N SER A 41 -10.918 -10.159 -7.818 1.00 0.84 N ATOM 614 CA SER A 41 -11.005 -10.619 -9.192 1.00 0.86 C ATOM 615 C SER A 41 -12.278 -10.151 -9.918 1.00 0.90 C ATOM 616 O SER A 41 -12.243 -9.954 -11.133 1.00 1.00 O ATOM 617 CB SER A 41 -10.805 -12.134 -9.264 1.00 1.08 C ATOM 618 OG SER A 41 -10.212 -12.449 -10.515 1.00 2.16 O ATOM 0 H SER A 41 -11.088 -10.884 -7.121 1.00 0.84 H new ATOM 0 HA SER A 41 -10.190 -10.146 -9.739 1.00 0.86 H new ATOM 0 HB2 SER A 41 -10.168 -12.472 -8.447 1.00 1.08 H new ATOM 0 HB3 SER A 41 -11.760 -12.648 -9.157 1.00 1.08 H new ATOM 0 HG SER A 41 -9.880 -11.628 -10.935 1.00 2.16 H new ATOM 624 N PHE A 42 -13.413 -10.089 -9.213 1.00 1.22 N ATOM 625 CA PHE A 42 -14.767 -10.019 -9.768 1.00 1.40 C ATOM 626 C PHE A 42 -14.891 -9.130 -11.004 1.00 1.40 C ATOM 627 O PHE A 42 -15.238 -9.629 -12.074 1.00 1.61 O ATOM 628 CB PHE A 42 -15.774 -9.566 -8.699 1.00 2.16 C ATOM 629 CG PHE A 42 -17.181 -9.342 -9.222 1.00 2.18 C ATOM 630 CD1 PHE A 42 -17.625 -8.038 -9.517 1.00 3.44 C ATOM 631 CD2 PHE A 42 -18.000 -10.444 -9.524 1.00 2.01 C ATOM 632 CE1 PHE A 42 -18.867 -7.842 -10.145 1.00 3.51 C ATOM 633 CE2 PHE A 42 -19.257 -10.245 -10.124 1.00 2.34 C ATOM 634 CZ PHE A 42 -19.687 -8.945 -10.442 1.00 2.59 C ATOM 0 H PHE A 42 -13.411 -10.086 -8.193 1.00 1.22 H new ATOM 0 HA PHE A 42 -14.997 -11.034 -10.093 1.00 1.40 H new ATOM 0 HB2 PHE A 42 -15.808 -10.315 -7.908 1.00 2.16 H new ATOM 0 HB3 PHE A 42 -15.415 -8.641 -8.247 1.00 2.16 H new ATOM 0 HD1 PHE A 42 -17.010 -7.188 -9.260 1.00 3.44 H new ATOM 0 HD2 PHE A 42 -17.664 -11.445 -9.295 1.00 2.01 H new ATOM 0 HE1 PHE A 42 -19.192 -6.844 -10.400 1.00 3.51 H new ATOM 0 HE2 PHE A 42 -19.892 -11.091 -10.340 1.00 2.34 H new ATOM 0 HZ PHE A 42 -20.646 -8.794 -10.914 1.00 2.59 H new ATOM 644 N ASP A 43 -14.666 -7.822 -10.834 1.00 1.73 N ATOM 645 CA ASP A 43 -15.022 -6.813 -11.828 1.00 2.28 C ATOM 646 C ASP A 43 -14.457 -7.180 -13.200 1.00 2.28 C ATOM 647 O ASP A 43 -15.163 -7.188 -14.208 1.00 3.01 O ATOM 648 CB ASP A 43 -14.603 -5.402 -11.358 1.00 2.77 C ATOM 649 CG ASP A 43 -13.103 -5.093 -11.363 1.00 3.22 C ATOM 650 OD1 ASP A 43 -12.304 -6.049 -11.251 1.00 4.48 O ATOM 651 OD2 ASP A 43 -12.774 -3.895 -11.492 1.00 3.66 O ATOM 0 H ASP A 43 -14.229 -7.436 -9.997 1.00 1.73 H new ATOM 0 HA ASP A 43 -16.107 -6.791 -11.935 1.00 2.28 H new ATOM 0 HB2 ASP A 43 -15.103 -4.670 -11.992 1.00 2.77 H new ATOM 0 HB3 ASP A 43 -14.977 -5.256 -10.345 1.00 2.77 H new ATOM 656 N LYS A 44 -13.163 -7.470 -13.209 1.00 1.72 N ATOM 657 CA LYS A 44 -12.324 -7.759 -14.349 1.00 1.86 C ATOM 658 C LYS A 44 -11.119 -8.566 -13.861 1.00 2.23 C ATOM 659 O LYS A 44 -10.851 -9.650 -14.388 1.00 3.95 O ATOM 660 CB LYS A 44 -11.849 -6.451 -15.014 1.00 2.71 C ATOM 661 CG LYS A 44 -12.980 -5.465 -15.350 1.00 3.03 C ATOM 662 CD LYS A 44 -12.501 -4.251 -16.160 1.00 4.48 C ATOM 663 CE LYS A 44 -12.664 -4.438 -17.677 1.00 5.39 C ATOM 664 NZ LYS A 44 -11.970 -5.639 -18.181 1.00 6.69 N ATOM 0 H LYS A 44 -12.633 -7.511 -12.338 1.00 1.72 H new ATOM 0 HA LYS A 44 -12.887 -8.328 -15.089 1.00 1.86 H new ATOM 0 HB2 LYS A 44 -11.138 -5.958 -14.351 1.00 2.71 H new ATOM 0 HB3 LYS A 44 -11.313 -6.697 -15.931 1.00 2.71 H new ATOM 0 HG2 LYS A 44 -13.754 -5.987 -15.913 1.00 3.03 H new ATOM 0 HG3 LYS A 44 -13.439 -5.118 -14.424 1.00 3.03 H new ATOM 0 HD2 LYS A 44 -13.059 -3.369 -15.846 1.00 4.48 H new ATOM 0 HD3 LYS A 44 -11.452 -4.061 -15.934 1.00 4.48 H new ATOM 0 HE2 LYS A 44 -13.725 -4.508 -17.918 1.00 5.39 H new ATOM 0 HE3 LYS A 44 -12.278 -3.558 -18.191 1.00 5.39 H new ATOM 0 HZ1 LYS A 44 -12.041 -5.671 -19.218 1.00 6.69 H new ATOM 0 HZ2 LYS A 44 -10.968 -5.603 -17.903 1.00 6.69 H new ATOM 0 HZ3 LYS A 44 -12.411 -6.490 -17.777 1.00 6.69 H new ATOM 678 N LEU A 45 -10.382 -8.011 -12.887 1.00 1.37 N ATOM 679 CA LEU A 45 -8.966 -8.278 -12.638 1.00 1.65 C ATOM 680 C LEU A 45 -8.561 -9.750 -12.907 1.00 1.72 C ATOM 681 O LEU A 45 -9.010 -10.643 -12.182 1.00 2.30 O ATOM 682 CB LEU A 45 -8.548 -7.796 -11.234 1.00 1.80 C ATOM 683 CG LEU A 45 -9.000 -6.388 -10.811 1.00 1.66 C ATOM 684 CD1 LEU A 45 -8.229 -5.964 -9.555 1.00 2.33 C ATOM 685 CD2 LEU A 45 -8.774 -5.320 -11.889 1.00 2.27 C ATOM 0 H LEU A 45 -10.776 -7.339 -12.228 1.00 1.37 H new ATOM 0 HA LEU A 45 -8.405 -7.693 -13.367 1.00 1.65 H new ATOM 0 HB2 LEU A 45 -8.933 -8.508 -10.504 1.00 1.80 H new ATOM 0 HB3 LEU A 45 -7.460 -7.834 -11.174 1.00 1.80 H new ATOM 0 HG LEU A 45 -10.073 -6.453 -10.631 1.00 1.66 H new ATOM 0 HD11 LEU A 45 -8.547 -4.966 -9.252 1.00 2.33 H new ATOM 0 HD12 LEU A 45 -8.431 -6.669 -8.749 1.00 2.33 H new ATOM 0 HD13 LEU A 45 -7.160 -5.955 -9.770 1.00 2.33 H new ATOM 0 HD21 LEU A 45 -9.116 -4.353 -11.520 1.00 2.27 H new ATOM 0 HD22 LEU A 45 -7.712 -5.262 -12.127 1.00 2.27 H new ATOM 0 HD23 LEU A 45 -9.333 -5.585 -12.786 1.00 2.27 H new ATOM 697 N PRO A 46 -7.785 -10.028 -13.977 1.00 1.52 N ATOM 698 CA PRO A 46 -7.425 -11.380 -14.412 1.00 1.76 C ATOM 699 C PRO A 46 -6.257 -11.951 -13.591 1.00 1.75 C ATOM 700 O PRO A 46 -6.229 -11.781 -12.382 1.00 1.87 O ATOM 701 CB PRO A 46 -7.142 -11.228 -15.911 1.00 2.10 C ATOM 702 CG PRO A 46 -6.552 -9.828 -16.014 1.00 2.09 C ATOM 703 CD PRO A 46 -7.403 -9.064 -15.003 1.00 1.73 C ATOM 0 HA PRO A 46 -8.213 -12.114 -14.246 1.00 1.76 H new ATOM 0 HB2 PRO A 46 -6.445 -11.986 -16.268 1.00 2.10 H new ATOM 0 HB3 PRO A 46 -8.051 -11.326 -16.504 1.00 2.10 H new ATOM 0 HG2 PRO A 46 -5.493 -9.809 -15.756 1.00 2.09 H new ATOM 0 HG3 PRO A 46 -6.643 -9.418 -17.020 1.00 2.09 H new ATOM 0 HD2 PRO A 46 -6.842 -8.236 -14.569 1.00 1.73 H new ATOM 0 HD3 PRO A 46 -8.284 -8.636 -15.481 1.00 1.73 H new ATOM 711 N GLU A 47 -5.287 -12.635 -14.206 1.00 2.19 N ATOM 712 CA GLU A 47 -4.066 -13.076 -13.539 1.00 2.61 C ATOM 713 C GLU A 47 -3.151 -11.890 -13.192 1.00 2.09 C ATOM 714 O GLU A 47 -2.546 -11.836 -12.124 1.00 3.02 O ATOM 715 CB GLU A 47 -3.377 -14.096 -14.454 1.00 3.59 C ATOM 716 CG GLU A 47 -3.060 -13.558 -15.864 1.00 3.88 C ATOM 717 CD GLU A 47 -3.482 -14.537 -16.942 1.00 4.66 C ATOM 718 OE1 GLU A 47 -2.592 -15.152 -17.575 1.00 5.79 O ATOM 719 OE2 GLU A 47 -4.711 -14.684 -17.140 1.00 4.82 O ATOM 0 H GLU A 47 -5.331 -12.899 -15.190 1.00 2.19 H new ATOM 0 HA GLU A 47 -4.305 -13.546 -12.585 1.00 2.61 H new ATOM 0 HB2 GLU A 47 -2.450 -14.423 -13.984 1.00 3.59 H new ATOM 0 HB3 GLU A 47 -4.015 -14.975 -14.546 1.00 3.59 H new ATOM 0 HG2 GLU A 47 -3.571 -12.607 -16.015 1.00 3.88 H new ATOM 0 HG3 GLU A 47 -1.991 -13.362 -15.948 1.00 3.88 H new ATOM 726 N GLY A 48 -3.082 -10.912 -14.098 1.00 1.42 N ATOM 727 CA GLY A 48 -2.245 -9.732 -13.981 1.00 1.71 C ATOM 728 C GLY A 48 -0.758 -10.056 -13.903 1.00 1.24 C ATOM 729 O GLY A 48 -0.250 -10.882 -14.655 1.00 2.65 O ATOM 0 H GLY A 48 -3.628 -10.927 -14.959 1.00 1.42 H new ATOM 0 HA2 GLY A 48 -2.424 -9.081 -14.837 1.00 1.71 H new ATOM 0 HA3 GLY A 48 -2.536 -9.175 -13.091 1.00 1.71 H new ATOM 733 N GLY A 49 -0.064 -9.338 -13.020 1.00 1.23 N ATOM 734 CA GLY A 49 1.384 -9.393 -12.868 1.00 1.14 C ATOM 735 C GLY A 49 1.918 -8.059 -12.352 1.00 1.32 C ATOM 736 O GLY A 49 2.823 -8.027 -11.522 1.00 2.00 O ATOM 0 H GLY A 49 -0.509 -8.685 -12.375 1.00 1.23 H new ATOM 0 HA2 GLY A 49 1.653 -10.191 -12.176 1.00 1.14 H new ATOM 0 HA3 GLY A 49 1.847 -9.631 -13.825 1.00 1.14 H new ATOM 740 N ARG A 50 1.353 -6.951 -12.843 1.00 0.98 N ATOM 741 CA ARG A 50 1.568 -5.623 -12.293 1.00 0.97 C ATOM 742 C ARG A 50 0.276 -4.830 -12.442 1.00 0.85 C ATOM 743 O ARG A 50 -0.613 -5.239 -13.190 1.00 1.13 O ATOM 744 CB ARG A 50 2.782 -4.925 -12.930 1.00 1.12 C ATOM 745 CG ARG A 50 2.568 -4.335 -14.334 1.00 2.64 C ATOM 746 CD ARG A 50 2.223 -5.391 -15.392 1.00 3.67 C ATOM 747 NE ARG A 50 2.249 -4.811 -16.744 1.00 5.50 N ATOM 748 CZ ARG A 50 2.094 -5.508 -17.882 1.00 7.00 C ATOM 749 NH1 ARG A 50 1.864 -6.824 -17.828 1.00 7.34 N ATOM 750 NH2 ARG A 50 2.142 -4.881 -19.062 1.00 8.71 N ATOM 0 H ARG A 50 0.725 -6.960 -13.647 1.00 0.98 H new ATOM 0 HA ARG A 50 1.814 -5.695 -11.234 1.00 0.97 H new ATOM 0 HB2 ARG A 50 3.102 -4.122 -12.266 1.00 1.12 H new ATOM 0 HB3 ARG A 50 3.601 -5.642 -12.981 1.00 1.12 H new ATOM 0 HG2 ARG A 50 1.766 -3.598 -14.292 1.00 2.64 H new ATOM 0 HG3 ARG A 50 3.471 -3.807 -14.640 1.00 2.64 H new ATOM 0 HD2 ARG A 50 2.933 -6.216 -15.333 1.00 3.67 H new ATOM 0 HD3 ARG A 50 1.235 -5.805 -15.189 1.00 3.67 H new ATOM 0 HE ARG A 50 2.396 -3.805 -16.823 1.00 5.50 H new ATOM 0 HH11 ARG A 50 1.807 -7.295 -16.925 1.00 7.34 H new ATOM 0 HH12 ARG A 50 1.746 -7.357 -18.690 1.00 7.34 H new ATOM 0 HH21 ARG A 50 2.296 -3.873 -19.098 1.00 8.71 H new ATOM 0 HH22 ARG A 50 2.024 -5.410 -19.926 1.00 8.71 H new ATOM 764 N ALA A 51 0.189 -3.711 -11.724 1.00 1.35 N ATOM 765 CA ALA A 51 -0.981 -2.854 -11.628 1.00 1.09 C ATOM 766 C ALA A 51 -0.734 -1.527 -12.324 1.00 1.05 C ATOM 767 O ALA A 51 0.338 -1.300 -12.876 1.00 1.83 O ATOM 768 CB ALA A 51 -1.299 -2.621 -10.159 1.00 1.74 C ATOM 0 H ALA A 51 0.972 -3.365 -11.169 1.00 1.35 H new ATOM 0 HA ALA A 51 -1.824 -3.340 -12.119 1.00 1.09 H new ATOM 0 HB1 ALA A 51 -2.176 -1.979 -10.074 1.00 1.74 H new ATOM 0 HB2 ALA A 51 -1.501 -3.576 -9.674 1.00 1.74 H new ATOM 0 HB3 ALA A 51 -0.449 -2.141 -9.674 1.00 1.74 H new ATOM 774 N THR A 52 -1.737 -0.655 -12.288 1.00 0.76 N ATOM 775 CA THR A 52 -1.561 0.763 -12.528 1.00 0.96 C ATOM 776 C THR A 52 -2.052 1.507 -11.282 1.00 1.07 C ATOM 777 O THR A 52 -3.247 1.498 -10.991 1.00 1.55 O ATOM 778 CB THR A 52 -2.302 1.183 -13.815 1.00 1.18 C ATOM 779 OG1 THR A 52 -2.598 2.559 -13.816 1.00 1.90 O ATOM 780 CG2 THR A 52 -3.575 0.366 -14.087 1.00 1.06 C ATOM 0 H THR A 52 -2.701 -0.921 -12.089 1.00 0.76 H new ATOM 0 HA THR A 52 -0.513 1.014 -12.693 1.00 0.96 H new ATOM 0 HB THR A 52 -1.610 0.967 -14.629 1.00 1.18 H new ATOM 0 HG1 THR A 52 -3.570 2.685 -13.819 1.00 1.90 H new ATOM 0 HG21 THR A 52 -4.043 0.717 -15.007 1.00 1.06 H new ATOM 0 HG22 THR A 52 -3.316 -0.688 -14.190 1.00 1.06 H new ATOM 0 HG23 THR A 52 -4.271 0.489 -13.257 1.00 1.06 H new ATOM 788 N TYR A 53 -1.124 2.100 -10.526 1.00 1.47 N ATOM 789 CA TYR A 53 -1.391 3.212 -9.611 1.00 1.91 C ATOM 790 C TYR A 53 -0.135 4.034 -9.304 1.00 1.63 C ATOM 791 O TYR A 53 0.795 3.542 -8.667 1.00 1.78 O ATOM 792 CB TYR A 53 -2.073 2.768 -8.312 1.00 2.43 C ATOM 793 CG TYR A 53 -1.437 1.622 -7.553 1.00 1.98 C ATOM 794 CD1 TYR A 53 -0.460 1.855 -6.565 1.00 3.41 C ATOM 795 CD2 TYR A 53 -1.968 0.332 -7.708 1.00 2.03 C ATOM 796 CE1 TYR A 53 0.069 0.781 -5.829 1.00 4.25 C ATOM 797 CE2 TYR A 53 -1.510 -0.717 -6.899 1.00 2.55 C ATOM 798 CZ TYR A 53 -0.439 -0.516 -6.008 1.00 3.61 C ATOM 799 OH TYR A 53 0.192 -1.588 -5.440 1.00 4.91 O ATOM 0 H TYR A 53 -0.145 1.814 -10.534 1.00 1.47 H new ATOM 0 HA TYR A 53 -2.091 3.856 -10.143 1.00 1.91 H new ATOM 0 HB2 TYR A 53 -2.122 3.629 -7.645 1.00 2.43 H new ATOM 0 HB3 TYR A 53 -3.100 2.488 -8.548 1.00 2.43 H new ATOM 0 HD1 TYR A 53 -0.117 2.861 -6.373 1.00 3.41 H new ATOM 0 HD2 TYR A 53 -2.730 0.148 -8.451 1.00 2.03 H new ATOM 0 HE1 TYR A 53 0.868 0.954 -5.124 1.00 4.25 H new ATOM 0 HE2 TYR A 53 -1.982 -1.686 -6.960 1.00 2.55 H new ATOM 0 HH TYR A 53 1.005 -1.285 -4.985 1.00 4.91 H new ATOM 809 N ARG A 54 -0.111 5.316 -9.659 1.00 1.55 N ATOM 810 CA ARG A 54 0.914 6.221 -9.158 1.00 1.30 C ATOM 811 C ARG A 54 0.532 6.633 -7.738 1.00 1.00 C ATOM 812 O ARG A 54 0.079 7.751 -7.499 1.00 1.80 O ATOM 813 CB ARG A 54 1.057 7.408 -10.110 1.00 1.77 C ATOM 814 CG ARG A 54 1.787 6.919 -11.368 1.00 1.91 C ATOM 815 CD ARG A 54 1.902 8.035 -12.402 1.00 2.53 C ATOM 816 NE ARG A 54 0.569 8.362 -12.932 1.00 3.54 N ATOM 817 CZ ARG A 54 0.262 9.361 -13.768 1.00 4.64 C ATOM 818 NH1 ARG A 54 1.231 10.157 -14.231 1.00 4.79 N ATOM 819 NH2 ARG A 54 -1.005 9.560 -14.135 1.00 5.96 N ATOM 0 H ARG A 54 -0.787 5.748 -10.289 1.00 1.55 H new ATOM 0 HA ARG A 54 1.891 5.739 -9.116 1.00 1.30 H new ATOM 0 HB2 ARG A 54 0.077 7.809 -10.369 1.00 1.77 H new ATOM 0 HB3 ARG A 54 1.616 8.214 -9.634 1.00 1.77 H new ATOM 0 HG2 ARG A 54 2.782 6.563 -11.100 1.00 1.91 H new ATOM 0 HG3 ARG A 54 1.251 6.073 -11.798 1.00 1.91 H new ATOM 0 HD2 ARG A 54 2.350 8.919 -11.948 1.00 2.53 H new ATOM 0 HD3 ARG A 54 2.560 7.725 -13.214 1.00 2.53 H new ATOM 0 HE ARG A 54 -0.201 7.765 -12.631 1.00 3.54 H new ATOM 0 HH11 ARG A 54 2.198 10.001 -13.947 1.00 4.79 H new ATOM 0 HH12 ARG A 54 1.003 10.920 -14.868 1.00 4.79 H new ATOM 0 HH21 ARG A 54 -1.741 8.950 -13.778 1.00 5.96 H new ATOM 0 HH22 ARG A 54 -1.238 10.322 -14.772 1.00 5.96 H new ATOM 833 N GLY A 55 0.695 5.700 -6.800 1.00 0.75 N ATOM 834 CA GLY A 55 0.293 5.894 -5.422 1.00 1.07 C ATOM 835 C GLY A 55 1.244 6.824 -4.675 1.00 0.74 C ATOM 836 O GLY A 55 2.464 6.723 -4.810 1.00 0.78 O ATOM 0 H GLY A 55 1.112 4.787 -6.983 1.00 0.75 H new ATOM 0 HA2 GLY A 55 -0.715 6.307 -5.393 1.00 1.07 H new ATOM 0 HA3 GLY A 55 0.257 4.929 -4.916 1.00 1.07 H new ATOM 840 N THR A 56 0.685 7.718 -3.862 1.00 0.59 N ATOM 841 CA THR A 56 1.410 8.657 -3.027 1.00 0.65 C ATOM 842 C THR A 56 1.070 8.343 -1.571 1.00 0.54 C ATOM 843 O THR A 56 -0.056 8.558 -1.125 1.00 0.72 O ATOM 844 CB THR A 56 1.035 10.091 -3.434 1.00 1.01 C ATOM 845 OG1 THR A 56 -0.352 10.189 -3.700 1.00 2.31 O ATOM 846 CG2 THR A 56 1.786 10.490 -4.708 1.00 1.84 C ATOM 0 H THR A 56 -0.327 7.807 -3.767 1.00 0.59 H new ATOM 0 HA THR A 56 2.489 8.568 -3.153 1.00 0.65 H new ATOM 0 HB THR A 56 1.303 10.751 -2.609 1.00 1.01 H new ATOM 0 HG1 THR A 56 -0.572 11.109 -3.956 1.00 2.31 H new ATOM 0 HG21 THR A 56 1.513 11.508 -4.988 1.00 1.84 H new ATOM 0 HG22 THR A 56 2.860 10.439 -4.529 1.00 1.84 H new ATOM 0 HG23 THR A 56 1.520 9.808 -5.516 1.00 1.84 H new ATOM 854 N ALA A 57 2.047 7.812 -0.834 1.00 0.63 N ATOM 855 CA ALA A 57 1.947 7.564 0.592 1.00 0.62 C ATOM 856 C ALA A 57 2.633 8.724 1.301 1.00 0.71 C ATOM 857 O ALA A 57 3.747 8.571 1.800 1.00 0.95 O ATOM 858 CB ALA A 57 2.616 6.228 0.912 1.00 0.67 C ATOM 0 H ALA A 57 2.947 7.539 -1.228 1.00 0.63 H new ATOM 0 HA ALA A 57 0.911 7.501 0.925 1.00 0.62 H new ATOM 0 HB1 ALA A 57 2.546 6.033 1.982 1.00 0.67 H new ATOM 0 HB2 ALA A 57 2.115 5.430 0.364 1.00 0.67 H new ATOM 0 HB3 ALA A 57 3.665 6.267 0.618 1.00 0.67 H new ATOM 864 N PHE A 58 1.978 9.885 1.316 1.00 0.72 N ATOM 865 CA PHE A 58 2.555 11.097 1.890 1.00 0.83 C ATOM 866 C PHE A 58 2.433 11.042 3.399 1.00 0.83 C ATOM 867 O PHE A 58 1.431 10.581 3.939 1.00 0.78 O ATOM 868 CB PHE A 58 1.967 12.362 1.269 1.00 0.97 C ATOM 869 CG PHE A 58 0.518 12.653 1.601 1.00 1.00 C ATOM 870 CD1 PHE A 58 -0.513 12.260 0.728 1.00 1.99 C ATOM 871 CD2 PHE A 58 0.211 13.389 2.760 1.00 1.94 C ATOM 872 CE1 PHE A 58 -1.842 12.630 1.000 1.00 2.14 C ATOM 873 CE2 PHE A 58 -1.117 13.745 3.040 1.00 2.04 C ATOM 874 CZ PHE A 58 -2.142 13.387 2.147 1.00 1.44 C ATOM 0 H PHE A 58 1.041 10.010 0.934 1.00 0.72 H new ATOM 0 HA PHE A 58 3.617 11.144 1.648 1.00 0.83 H new ATOM 0 HB2 PHE A 58 2.570 13.213 1.587 1.00 0.97 H new ATOM 0 HB3 PHE A 58 2.063 12.290 0.186 1.00 0.97 H new ATOM 0 HD1 PHE A 58 -0.284 11.675 -0.150 1.00 1.99 H new ATOM 0 HD2 PHE A 58 1.000 13.681 3.437 1.00 1.94 H new ATOM 0 HE1 PHE A 58 -2.633 12.333 0.328 1.00 2.14 H new ATOM 0 HE2 PHE A 58 -1.351 14.293 3.940 1.00 2.04 H new ATOM 0 HZ PHE A 58 -3.159 13.693 2.342 1.00 1.44 H new ATOM 884 N GLY A 59 3.488 11.464 4.085 1.00 0.92 N ATOM 885 CA GLY A 59 3.575 11.294 5.521 1.00 1.02 C ATOM 886 C GLY A 59 2.710 12.336 6.222 1.00 1.04 C ATOM 887 O GLY A 59 2.341 13.349 5.631 1.00 1.00 O ATOM 0 H GLY A 59 4.294 11.927 3.665 1.00 0.92 H new ATOM 0 HA2 GLY A 59 3.248 10.292 5.797 1.00 1.02 H new ATOM 0 HA3 GLY A 59 4.611 11.392 5.845 1.00 1.02 H new ATOM 891 N SER A 60 2.439 12.129 7.513 1.00 1.20 N ATOM 892 CA SER A 60 1.756 13.131 8.329 1.00 1.27 C ATOM 893 C SER A 60 2.508 14.468 8.287 1.00 1.15 C ATOM 894 O SER A 60 1.893 15.521 8.433 1.00 1.28 O ATOM 895 CB SER A 60 1.626 12.626 9.770 1.00 1.48 C ATOM 896 OG SER A 60 0.725 13.426 10.510 1.00 1.66 O ATOM 0 H SER A 60 2.683 11.275 8.014 1.00 1.20 H new ATOM 0 HA SER A 60 0.758 13.296 7.923 1.00 1.27 H new ATOM 0 HB2 SER A 60 1.281 11.592 9.767 1.00 1.48 H new ATOM 0 HB3 SER A 60 2.604 12.634 10.251 1.00 1.48 H new ATOM 0 HG SER A 60 0.658 13.082 11.425 1.00 1.66 H new ATOM 902 N ASP A 61 3.833 14.397 8.122 1.00 1.08 N ATOM 903 CA ASP A 61 4.750 15.525 8.023 1.00 1.10 C ATOM 904 C ASP A 61 5.260 15.684 6.579 1.00 1.09 C ATOM 905 O ASP A 61 6.304 16.289 6.354 1.00 1.17 O ATOM 906 CB ASP A 61 5.913 15.212 8.982 1.00 1.22 C ATOM 907 CG ASP A 61 6.837 16.398 9.227 1.00 1.47 C ATOM 908 OD1 ASP A 61 6.299 17.504 9.449 1.00 2.28 O ATOM 909 OD2 ASP A 61 8.064 16.157 9.257 1.00 2.38 O ATOM 0 H ASP A 61 4.315 13.501 8.051 1.00 1.08 H new ATOM 0 HA ASP A 61 4.260 16.462 8.288 1.00 1.10 H new ATOM 0 HB2 ASP A 61 5.506 14.876 9.936 1.00 1.22 H new ATOM 0 HB3 ASP A 61 6.496 14.386 8.575 1.00 1.22 H new ATOM 914 N ASP A 62 4.588 15.054 5.602 1.00 1.05 N ATOM 915 CA ASP A 62 5.205 14.506 4.415 1.00 1.17 C ATOM 916 C ASP A 62 6.716 14.303 4.424 1.00 1.18 C ATOM 917 O ASP A 62 7.462 14.916 3.661 1.00 1.34 O ATOM 918 CB ASP A 62 4.651 15.023 3.089 1.00 1.46 C ATOM 919 CG ASP A 62 4.975 14.016 1.988 1.00 2.22 C ATOM 920 OD1 ASP A 62 4.843 14.392 0.806 1.00 2.76 O ATOM 921 OD2 ASP A 62 5.266 12.850 2.350 1.00 3.40 O ATOM 0 H ASP A 62 3.578 14.916 5.630 1.00 1.05 H new ATOM 0 HA ASP A 62 4.850 13.478 4.488 1.00 1.17 H new ATOM 0 HB2 ASP A 62 3.573 15.167 3.162 1.00 1.46 H new ATOM 0 HB3 ASP A 62 5.087 15.993 2.852 1.00 1.46 H new ATOM 926 N ALA A 63 7.127 13.312 5.214 1.00 1.13 N ATOM 927 CA ALA A 63 8.312 12.530 4.925 1.00 1.17 C ATOM 928 C ALA A 63 7.833 11.147 4.481 1.00 1.03 C ATOM 929 O ALA A 63 8.220 10.127 5.046 1.00 1.14 O ATOM 930 CB ALA A 63 9.146 12.465 6.200 1.00 1.36 C ATOM 0 H ALA A 63 6.644 13.035 6.069 1.00 1.13 H new ATOM 0 HA ALA A 63 8.930 12.961 4.137 1.00 1.17 H new ATOM 0 HB1 ALA A 63 10.048 11.881 6.015 1.00 1.36 H new ATOM 0 HB2 ALA A 63 9.423 13.474 6.506 1.00 1.36 H new ATOM 0 HB3 ALA A 63 8.564 11.993 6.992 1.00 1.36 H new ATOM 936 N GLY A 64 6.982 11.128 3.458 1.00 0.91 N ATOM 937 CA GLY A 64 6.310 9.959 2.933 1.00 0.83 C ATOM 938 C GLY A 64 6.982 9.480 1.649 1.00 0.85 C ATOM 939 O GLY A 64 8.025 10.000 1.249 1.00 1.27 O ATOM 0 H GLY A 64 6.735 11.978 2.951 1.00 0.91 H new ATOM 0 HA2 GLY A 64 6.324 9.161 3.676 1.00 0.83 H new ATOM 0 HA3 GLY A 64 5.264 10.193 2.736 1.00 0.83 H new ATOM 943 N GLY A 65 6.434 8.421 1.050 1.00 0.78 N ATOM 944 CA GLY A 65 7.009 7.769 -0.114 1.00 0.83 C ATOM 945 C GLY A 65 6.020 7.574 -1.257 1.00 0.75 C ATOM 946 O GLY A 65 4.830 7.867 -1.158 1.00 0.89 O ATOM 0 H GLY A 65 5.566 7.991 1.369 1.00 0.78 H new ATOM 0 HA2 GLY A 65 7.852 8.360 -0.471 1.00 0.83 H new ATOM 0 HA3 GLY A 65 7.404 6.797 0.183 1.00 0.83 H new ATOM 950 N LYS A 66 6.551 7.051 -2.363 1.00 0.77 N ATOM 951 CA LYS A 66 5.805 6.709 -3.560 1.00 0.85 C ATOM 952 C LYS A 66 5.335 5.265 -3.411 1.00 0.80 C ATOM 953 O LYS A 66 6.161 4.355 -3.416 1.00 1.30 O ATOM 954 CB LYS A 66 6.740 6.831 -4.769 1.00 1.10 C ATOM 955 CG LYS A 66 7.289 8.254 -4.939 1.00 1.29 C ATOM 956 CD LYS A 66 8.706 8.249 -5.537 1.00 1.72 C ATOM 957 CE LYS A 66 9.773 7.662 -4.593 1.00 2.18 C ATOM 958 NZ LYS A 66 10.214 6.298 -4.952 1.00 3.67 N ATOM 0 H LYS A 66 7.547 6.849 -2.446 1.00 0.77 H new ATOM 0 HA LYS A 66 4.950 7.370 -3.700 1.00 0.85 H new ATOM 0 HB2 LYS A 66 7.571 6.135 -4.655 1.00 1.10 H new ATOM 0 HB3 LYS A 66 6.203 6.541 -5.672 1.00 1.10 H new ATOM 0 HG2 LYS A 66 6.623 8.826 -5.585 1.00 1.29 H new ATOM 0 HG3 LYS A 66 7.304 8.756 -3.972 1.00 1.29 H new ATOM 0 HD2 LYS A 66 8.698 7.675 -6.464 1.00 1.72 H new ATOM 0 HD3 LYS A 66 8.985 9.270 -5.797 1.00 1.72 H new ATOM 0 HE2 LYS A 66 10.640 8.323 -4.587 1.00 2.18 H new ATOM 0 HE3 LYS A 66 9.376 7.648 -3.578 1.00 2.18 H new ATOM 0 HZ1 LYS A 66 10.495 5.786 -4.091 1.00 3.67 H new ATOM 0 HZ2 LYS A 66 9.433 5.792 -5.417 1.00 3.67 H new ATOM 0 HZ3 LYS A 66 11.025 6.355 -5.601 1.00 3.67 H new ATOM 972 N LEU A 67 4.030 5.041 -3.300 1.00 0.66 N ATOM 973 CA LEU A 67 3.488 3.697 -3.263 1.00 0.73 C ATOM 974 C LEU A 67 3.454 3.193 -4.708 1.00 0.84 C ATOM 975 O LEU A 67 2.488 3.435 -5.431 1.00 1.39 O ATOM 976 CB LEU A 67 2.094 3.723 -2.619 1.00 0.94 C ATOM 977 CG LEU A 67 1.495 2.315 -2.489 1.00 1.01 C ATOM 978 CD1 LEU A 67 1.927 1.676 -1.173 1.00 1.05 C ATOM 979 CD2 LEU A 67 -0.029 2.370 -2.552 1.00 1.15 C ATOM 0 H LEU A 67 3.329 5.779 -3.234 1.00 0.66 H new ATOM 0 HA LEU A 67 4.097 3.023 -2.660 1.00 0.73 H new ATOM 0 HB2 LEU A 67 2.159 4.182 -1.633 1.00 0.94 H new ATOM 0 HB3 LEU A 67 1.429 4.346 -3.218 1.00 0.94 H new ATOM 0 HG LEU A 67 1.862 1.713 -3.320 1.00 1.01 H new ATOM 0 HD11 LEU A 67 1.495 0.678 -1.094 1.00 1.05 H new ATOM 0 HD12 LEU A 67 3.014 1.604 -1.143 1.00 1.05 H new ATOM 0 HD13 LEU A 67 1.581 2.288 -0.340 1.00 1.05 H new ATOM 0 HD21 LEU A 67 -0.434 1.362 -2.458 1.00 1.15 H new ATOM 0 HD22 LEU A 67 -0.405 2.989 -1.737 1.00 1.15 H new ATOM 0 HD23 LEU A 67 -0.339 2.798 -3.506 1.00 1.15 H new ATOM 991 N THR A 68 4.513 2.510 -5.146 1.00 0.56 N ATOM 992 CA THR A 68 4.640 2.120 -6.537 1.00 0.70 C ATOM 993 C THR A 68 3.762 0.906 -6.847 1.00 0.72 C ATOM 994 O THR A 68 3.565 0.023 -6.017 1.00 0.85 O ATOM 995 CB THR A 68 6.128 1.855 -6.813 1.00 0.91 C ATOM 996 OG1 THR A 68 6.732 1.279 -5.665 1.00 1.75 O ATOM 997 CG2 THR A 68 6.839 3.181 -7.108 1.00 1.73 C ATOM 0 H THR A 68 5.290 2.219 -4.553 1.00 0.56 H new ATOM 0 HA THR A 68 4.290 2.915 -7.195 1.00 0.70 H new ATOM 0 HB THR A 68 6.213 1.180 -7.664 1.00 0.91 H new ATOM 0 HG1 THR A 68 7.680 1.110 -5.845 1.00 1.75 H new ATOM 0 HG21 THR A 68 7.895 2.992 -7.304 1.00 1.73 H new ATOM 0 HG22 THR A 68 6.386 3.650 -7.982 1.00 1.73 H new ATOM 0 HG23 THR A 68 6.742 3.845 -6.249 1.00 1.73 H new ATOM 1005 N TYR A 69 3.226 0.877 -8.068 1.00 0.81 N ATOM 1006 CA TYR A 69 2.246 -0.095 -8.498 1.00 0.77 C ATOM 1007 C TYR A 69 2.863 -1.453 -8.779 1.00 0.74 C ATOM 1008 O TYR A 69 3.697 -1.602 -9.668 1.00 0.90 O ATOM 1009 CB TYR A 69 1.528 0.450 -9.731 1.00 0.92 C ATOM 1010 CG TYR A 69 2.390 0.921 -10.898 1.00 1.15 C ATOM 1011 CD1 TYR A 69 2.745 2.278 -11.032 1.00 2.69 C ATOM 1012 CD2 TYR A 69 2.777 0.012 -11.902 1.00 1.62 C ATOM 1013 CE1 TYR A 69 3.446 2.723 -12.166 1.00 3.09 C ATOM 1014 CE2 TYR A 69 3.478 0.454 -13.035 1.00 1.68 C ATOM 1015 CZ TYR A 69 3.804 1.811 -13.174 1.00 1.95 C ATOM 1016 OH TYR A 69 4.474 2.236 -14.282 1.00 2.41 O ATOM 0 H TYR A 69 3.474 1.548 -8.795 1.00 0.81 H new ATOM 0 HA TYR A 69 1.532 -0.251 -7.690 1.00 0.77 H new ATOM 0 HB2 TYR A 69 0.857 -0.326 -10.100 1.00 0.92 H new ATOM 0 HB3 TYR A 69 0.904 1.286 -9.415 1.00 0.92 H new ATOM 0 HD1 TYR A 69 2.476 2.981 -10.258 1.00 2.69 H new ATOM 0 HD2 TYR A 69 2.532 -1.035 -11.799 1.00 1.62 H new ATOM 0 HE1 TYR A 69 3.710 3.766 -12.263 1.00 3.09 H new ATOM 0 HE2 TYR A 69 3.767 -0.251 -13.800 1.00 1.68 H new ATOM 0 HH TYR A 69 4.642 1.474 -14.875 1.00 2.41 H new ATOM 1026 N THR A 70 2.446 -2.461 -8.015 1.00 0.73 N ATOM 1027 CA THR A 70 2.875 -3.829 -8.223 1.00 0.92 C ATOM 1028 C THR A 70 1.828 -4.770 -7.617 1.00 0.97 C ATOM 1029 O THR A 70 1.950 -5.106 -6.443 1.00 1.10 O ATOM 1030 CB THR A 70 4.257 -4.020 -7.551 1.00 1.07 C ATOM 1031 OG1 THR A 70 5.256 -3.217 -8.150 1.00 1.19 O ATOM 1032 CG2 THR A 70 4.765 -5.464 -7.638 1.00 1.35 C ATOM 0 H THR A 70 1.800 -2.344 -7.234 1.00 0.73 H new ATOM 0 HA THR A 70 2.970 -4.055 -9.285 1.00 0.92 H new ATOM 0 HB THR A 70 4.092 -3.735 -6.512 1.00 1.07 H new ATOM 0 HG1 THR A 70 4.854 -2.663 -8.852 1.00 1.19 H new ATOM 0 HG21 THR A 70 5.737 -5.538 -7.151 1.00 1.35 H new ATOM 0 HG22 THR A 70 4.059 -6.129 -7.141 1.00 1.35 H new ATOM 0 HG23 THR A 70 4.861 -5.754 -8.684 1.00 1.35 H new ATOM 1040 N ILE A 71 0.794 -5.176 -8.372 1.00 0.95 N ATOM 1041 CA ILE A 71 -0.160 -6.193 -7.895 1.00 0.95 C ATOM 1042 C ILE A 71 -0.354 -7.301 -8.936 1.00 0.96 C ATOM 1043 O ILE A 71 -0.340 -7.032 -10.139 1.00 1.19 O ATOM 1044 CB ILE A 71 -1.495 -5.571 -7.422 1.00 0.91 C ATOM 1045 CG1 ILE A 71 -2.643 -5.631 -8.454 1.00 1.03 C ATOM 1046 CG2 ILE A 71 -1.251 -4.164 -6.868 1.00 0.95 C ATOM 1047 CD1 ILE A 71 -3.751 -4.596 -8.199 1.00 1.60 C ATOM 0 H ILE A 71 0.597 -4.820 -9.307 1.00 0.95 H new ATOM 0 HA ILE A 71 0.274 -6.661 -7.011 1.00 0.95 H new ATOM 0 HB ILE A 71 -1.864 -6.202 -6.613 1.00 0.91 H new ATOM 0 HG12 ILE A 71 -2.233 -5.474 -9.452 1.00 1.03 H new ATOM 0 HG13 ILE A 71 -3.080 -6.630 -8.442 1.00 1.03 H new ATOM 0 HG21 ILE A 71 -2.197 -3.734 -6.537 1.00 0.95 H new ATOM 0 HG22 ILE A 71 -0.563 -4.219 -6.024 1.00 0.95 H new ATOM 0 HG23 ILE A 71 -0.820 -3.536 -7.647 1.00 0.95 H new ATOM 0 HD11 ILE A 71 -4.524 -4.695 -8.961 1.00 1.60 H new ATOM 0 HD12 ILE A 71 -4.188 -4.766 -7.215 1.00 1.60 H new ATOM 0 HD13 ILE A 71 -3.328 -3.592 -8.240 1.00 1.60 H new ATOM 1059 N ASP A 72 -0.560 -8.537 -8.472 1.00 0.88 N ATOM 1060 CA ASP A 72 -0.997 -9.671 -9.268 1.00 0.90 C ATOM 1061 C ASP A 72 -2.525 -9.719 -9.187 1.00 0.96 C ATOM 1062 O ASP A 72 -3.113 -9.843 -8.120 1.00 1.20 O ATOM 1063 CB ASP A 72 -0.388 -10.960 -8.693 1.00 1.07 C ATOM 1064 CG ASP A 72 -0.957 -11.245 -7.312 1.00 3.04 C ATOM 1065 OD1 ASP A 72 -0.840 -10.326 -6.467 1.00 4.16 O ATOM 1066 OD2 ASP A 72 -1.622 -12.288 -7.138 1.00 4.47 O ATOM 0 H ASP A 72 -0.419 -8.777 -7.491 1.00 0.88 H new ATOM 0 HA ASP A 72 -0.677 -9.576 -10.305 1.00 0.90 H new ATOM 0 HB2 ASP A 72 -0.597 -11.797 -9.359 1.00 1.07 H new ATOM 0 HB3 ASP A 72 0.696 -10.863 -8.634 1.00 1.07 H new ATOM 1071 N PHE A 73 -3.220 -9.635 -10.309 1.00 1.02 N ATOM 1072 CA PHE A 73 -4.674 -9.613 -10.269 1.00 1.03 C ATOM 1073 C PHE A 73 -5.311 -10.925 -9.786 1.00 1.14 C ATOM 1074 O PHE A 73 -6.535 -10.981 -9.661 1.00 1.53 O ATOM 1075 CB PHE A 73 -5.196 -9.198 -11.642 1.00 1.04 C ATOM 1076 CG PHE A 73 -4.861 -7.786 -12.103 1.00 1.10 C ATOM 1077 CD1 PHE A 73 -4.834 -6.706 -11.201 1.00 1.91 C ATOM 1078 CD2 PHE A 73 -4.562 -7.552 -13.458 1.00 2.25 C ATOM 1079 CE1 PHE A 73 -4.477 -5.423 -11.645 1.00 2.13 C ATOM 1080 CE2 PHE A 73 -4.188 -6.274 -13.899 1.00 2.30 C ATOM 1081 CZ PHE A 73 -4.150 -5.203 -12.992 1.00 1.52 C ATOM 0 H PHE A 73 -2.812 -9.582 -11.242 1.00 1.02 H new ATOM 0 HA PHE A 73 -4.972 -8.881 -9.518 1.00 1.03 H new ATOM 0 HB2 PHE A 73 -4.806 -9.899 -12.380 1.00 1.04 H new ATOM 0 HB3 PHE A 73 -6.281 -9.307 -11.641 1.00 1.04 H new ATOM 0 HD1 PHE A 73 -5.089 -6.865 -10.164 1.00 1.91 H new ATOM 0 HD2 PHE A 73 -4.621 -8.365 -14.166 1.00 2.25 H new ATOM 0 HE1 PHE A 73 -4.454 -4.600 -10.946 1.00 2.13 H new ATOM 0 HE2 PHE A 73 -3.930 -6.114 -14.935 1.00 2.30 H new ATOM 0 HZ PHE A 73 -3.871 -4.216 -13.329 1.00 1.52 H new ATOM 1091 N ALA A 74 -4.522 -11.961 -9.474 1.00 1.07 N ATOM 1092 CA ALA A 74 -5.070 -13.236 -9.052 1.00 1.32 C ATOM 1093 C ALA A 74 -5.563 -13.097 -7.617 1.00 1.30 C ATOM 1094 O ALA A 74 -6.633 -13.591 -7.272 1.00 1.57 O ATOM 1095 CB ALA A 74 -3.995 -14.318 -9.178 1.00 1.51 C ATOM 0 H ALA A 74 -3.503 -11.931 -9.509 1.00 1.07 H new ATOM 0 HA ALA A 74 -5.910 -13.528 -9.683 1.00 1.32 H new ATOM 0 HB1 ALA A 74 -4.405 -15.277 -8.861 1.00 1.51 H new ATOM 0 HB2 ALA A 74 -3.669 -14.388 -10.216 1.00 1.51 H new ATOM 0 HB3 ALA A 74 -3.144 -14.061 -8.547 1.00 1.51 H new ATOM 1101 N ALA A 75 -4.758 -12.423 -6.794 1.00 1.08 N ATOM 1102 CA ALA A 75 -4.999 -12.296 -5.360 1.00 1.04 C ATOM 1103 C ALA A 75 -4.495 -10.975 -4.761 1.00 0.87 C ATOM 1104 O ALA A 75 -4.943 -10.599 -3.675 1.00 1.12 O ATOM 1105 CB ALA A 75 -4.392 -13.497 -4.650 1.00 1.12 C ATOM 0 H ALA A 75 -3.913 -11.946 -7.109 1.00 1.08 H new ATOM 0 HA ALA A 75 -6.078 -12.277 -5.208 1.00 1.04 H new ATOM 0 HB1 ALA A 75 -4.566 -13.412 -3.577 1.00 1.12 H new ATOM 0 HB2 ALA A 75 -4.855 -14.411 -5.022 1.00 1.12 H new ATOM 0 HB3 ALA A 75 -3.319 -13.529 -4.842 1.00 1.12 H new ATOM 1111 N LYS A 76 -3.645 -10.227 -5.482 1.00 0.75 N ATOM 1112 CA LYS A 76 -3.542 -8.784 -5.369 1.00 0.79 C ATOM 1113 C LYS A 76 -2.616 -8.407 -4.227 1.00 0.94 C ATOM 1114 O LYS A 76 -3.046 -7.906 -3.190 1.00 1.16 O ATOM 1115 CB LYS A 76 -4.950 -8.196 -5.337 1.00 0.87 C ATOM 1116 CG LYS A 76 -5.153 -6.747 -5.789 1.00 1.44 C ATOM 1117 CD LYS A 76 -4.681 -5.702 -4.762 1.00 2.69 C ATOM 1118 CE LYS A 76 -5.662 -4.518 -4.688 1.00 3.51 C ATOM 1119 NZ LYS A 76 -5.382 -3.598 -3.562 1.00 5.27 N ATOM 0 H LYS A 76 -3.004 -10.625 -6.168 1.00 0.75 H new ATOM 0 HA LYS A 76 -3.063 -8.333 -6.238 1.00 0.79 H new ATOM 0 HB2 LYS A 76 -5.586 -8.828 -5.957 1.00 0.87 H new ATOM 0 HB3 LYS A 76 -5.319 -8.278 -4.315 1.00 0.87 H new ATOM 0 HG2 LYS A 76 -4.617 -6.590 -6.725 1.00 1.44 H new ATOM 0 HG3 LYS A 76 -6.211 -6.586 -5.997 1.00 1.44 H new ATOM 0 HD2 LYS A 76 -4.592 -6.167 -3.780 1.00 2.69 H new ATOM 0 HD3 LYS A 76 -3.690 -5.341 -5.035 1.00 2.69 H new ATOM 0 HE2 LYS A 76 -5.619 -3.960 -5.624 1.00 3.51 H new ATOM 0 HE3 LYS A 76 -6.678 -4.902 -4.591 1.00 3.51 H new ATOM 0 HZ1 LYS A 76 -6.054 -2.805 -3.586 1.00 5.27 H new ATOM 0 HZ2 LYS A 76 -5.483 -4.110 -2.662 1.00 5.27 H new ATOM 0 HZ3 LYS A 76 -4.412 -3.232 -3.646 1.00 5.27 H new ATOM 1133 N GLN A 77 -1.317 -8.587 -4.466 1.00 0.95 N ATOM 1134 CA GLN A 77 -0.254 -8.273 -3.521 1.00 1.13 C ATOM 1135 C GLN A 77 -0.022 -6.760 -3.478 1.00 1.18 C ATOM 1136 O GLN A 77 1.101 -6.288 -3.633 1.00 1.92 O ATOM 1137 CB GLN A 77 1.059 -8.991 -3.891 1.00 1.56 C ATOM 1138 CG GLN A 77 1.041 -10.520 -4.047 1.00 1.11 C ATOM 1139 CD GLN A 77 -0.118 -11.216 -3.346 1.00 1.36 C ATOM 1140 OE1 GLN A 77 0.003 -11.553 -2.174 1.00 2.36 O ATOM 1141 NE2 GLN A 77 -1.212 -11.460 -4.065 1.00 1.31 N ATOM 0 H GLN A 77 -0.969 -8.966 -5.347 1.00 0.95 H new ATOM 0 HA GLN A 77 -0.567 -8.624 -2.537 1.00 1.13 H new ATOM 0 HB2 GLN A 77 1.416 -8.566 -4.829 1.00 1.56 H new ATOM 0 HB3 GLN A 77 1.798 -8.744 -3.128 1.00 1.56 H new ATOM 0 HG2 GLN A 77 1.005 -10.763 -5.109 1.00 1.11 H new ATOM 0 HG3 GLN A 77 1.977 -10.922 -3.660 1.00 1.11 H new ATOM 0 HE21 GLN A 77 -1.261 -11.157 -5.038 1.00 1.31 H new ATOM 0 HE22 GLN A 77 -2.001 -11.949 -3.643 1.00 1.31 H new ATOM 1150 N GLY A 78 -1.092 -5.989 -3.293 1.00 1.00 N ATOM 1151 CA GLY A 78 -1.069 -4.541 -3.319 1.00 1.18 C ATOM 1152 C GLY A 78 -0.101 -3.996 -2.287 1.00 0.88 C ATOM 1153 O GLY A 78 -0.374 -4.017 -1.087 1.00 1.06 O ATOM 0 H GLY A 78 -2.021 -6.372 -3.117 1.00 1.00 H new ATOM 0 HA2 GLY A 78 -0.781 -4.196 -4.312 1.00 1.18 H new ATOM 0 HA3 GLY A 78 -2.069 -4.154 -3.125 1.00 1.18 H new ATOM 1157 N ASN A 79 1.037 -3.493 -2.750 1.00 0.88 N ATOM 1158 CA ASN A 79 2.138 -3.006 -1.947 1.00 0.84 C ATOM 1159 C ASN A 79 2.774 -1.882 -2.752 1.00 1.17 C ATOM 1160 O ASN A 79 2.541 -1.788 -3.959 1.00 2.05 O ATOM 1161 CB ASN A 79 3.138 -4.151 -1.726 1.00 1.13 C ATOM 1162 CG ASN A 79 3.079 -4.794 -0.350 1.00 1.61 C ATOM 1163 OD1 ASN A 79 4.124 -5.144 0.174 1.00 2.97 O ATOM 1164 ND2 ASN A 79 1.909 -4.964 0.259 1.00 1.15 N ATOM 0 H ASN A 79 1.220 -3.412 -3.750 1.00 0.88 H new ATOM 0 HA ASN A 79 1.817 -2.649 -0.968 1.00 0.84 H new ATOM 0 HB2 ASN A 79 2.960 -4.920 -2.478 1.00 1.13 H new ATOM 0 HB3 ASN A 79 4.146 -3.771 -1.891 1.00 1.13 H new ATOM 0 HD21 ASN A 79 1.873 -5.395 1.183 1.00 1.15 H new ATOM 0 HD22 ASN A 79 1.048 -4.664 -0.198 1.00 1.15 H new ATOM 1171 N GLY A 80 3.531 -1.014 -2.080 1.00 0.88 N ATOM 1172 CA GLY A 80 4.477 -0.111 -2.703 1.00 0.96 C ATOM 1173 C GLY A 80 5.485 0.325 -1.647 1.00 0.91 C ATOM 1174 O GLY A 80 5.095 0.669 -0.537 1.00 1.04 O ATOM 0 H GLY A 80 3.497 -0.924 -1.065 1.00 0.88 H new ATOM 0 HA2 GLY A 80 4.984 -0.605 -3.532 1.00 0.96 H new ATOM 0 HA3 GLY A 80 3.960 0.755 -3.116 1.00 0.96 H new ATOM 1178 N LYS A 81 6.775 0.291 -1.957 1.00 0.88 N ATOM 1179 CA LYS A 81 7.801 0.638 -0.982 1.00 0.88 C ATOM 1180 C LYS A 81 8.011 2.153 -0.884 1.00 0.96 C ATOM 1181 O LYS A 81 8.187 2.828 -1.899 1.00 1.15 O ATOM 1182 CB LYS A 81 9.096 -0.121 -1.264 1.00 0.95 C ATOM 1183 CG LYS A 81 9.765 0.130 -2.620 1.00 1.39 C ATOM 1184 CD LYS A 81 11.139 -0.537 -2.512 1.00 2.11 C ATOM 1185 CE LYS A 81 11.973 -0.508 -3.796 1.00 2.87 C ATOM 1186 NZ LYS A 81 11.656 -1.644 -4.679 1.00 3.63 N ATOM 0 H LYS A 81 7.135 0.027 -2.874 1.00 0.88 H new ATOM 0 HA LYS A 81 7.451 0.323 0.001 1.00 0.88 H new ATOM 0 HB2 LYS A 81 9.812 0.128 -0.481 1.00 0.95 H new ATOM 0 HB3 LYS A 81 8.889 -1.188 -1.180 1.00 0.95 H new ATOM 0 HG2 LYS A 81 9.181 -0.299 -3.434 1.00 1.39 H new ATOM 0 HG3 LYS A 81 9.859 1.197 -2.823 1.00 1.39 H new ATOM 0 HD2 LYS A 81 11.703 -0.047 -1.719 1.00 2.11 H new ATOM 0 HD3 LYS A 81 11.000 -1.575 -2.210 1.00 2.11 H new ATOM 0 HE2 LYS A 81 11.791 0.427 -4.327 1.00 2.87 H new ATOM 0 HE3 LYS A 81 13.033 -0.530 -3.542 1.00 2.87 H new ATOM 0 HZ1 LYS A 81 12.240 -1.590 -5.538 1.00 3.63 H new ATOM 0 HZ2 LYS A 81 11.853 -2.536 -4.182 1.00 3.63 H new ATOM 0 HZ3 LYS A 81 10.650 -1.609 -4.942 1.00 3.63 H new ATOM 1200 N ILE A 82 8.050 2.691 0.337 1.00 0.98 N ATOM 1201 CA ILE A 82 8.275 4.106 0.611 1.00 1.08 C ATOM 1202 C ILE A 82 9.787 4.353 0.549 1.00 0.96 C ATOM 1203 O ILE A 82 10.430 4.766 1.510 1.00 1.36 O ATOM 1204 CB ILE A 82 7.602 4.469 1.958 1.00 1.23 C ATOM 1205 CG1 ILE A 82 6.073 4.504 1.790 1.00 1.52 C ATOM 1206 CG2 ILE A 82 8.105 5.769 2.624 1.00 1.92 C ATOM 1207 CD1 ILE A 82 5.338 4.340 3.126 1.00 1.86 C ATOM 0 H ILE A 82 7.922 2.136 1.183 1.00 0.98 H new ATOM 0 HA ILE A 82 7.818 4.766 -0.126 1.00 1.08 H new ATOM 0 HB ILE A 82 7.896 3.677 2.647 1.00 1.23 H new ATOM 0 HG12 ILE A 82 5.781 5.449 1.331 1.00 1.52 H new ATOM 0 HG13 ILE A 82 5.766 3.710 1.109 1.00 1.52 H new ATOM 0 HG21 ILE A 82 7.569 5.929 3.560 1.00 1.92 H new ATOM 0 HG22 ILE A 82 9.173 5.684 2.827 1.00 1.92 H new ATOM 0 HG23 ILE A 82 7.929 6.612 1.956 1.00 1.92 H new ATOM 0 HD11 ILE A 82 4.262 4.371 2.955 1.00 1.86 H new ATOM 0 HD12 ILE A 82 5.607 3.383 3.574 1.00 1.86 H new ATOM 0 HD13 ILE A 82 5.622 5.149 3.799 1.00 1.86 H new ATOM 1219 N GLU A 83 10.354 4.105 -0.630 1.00 0.85 N ATOM 1220 CA GLU A 83 11.761 4.292 -0.905 1.00 0.87 C ATOM 1221 C GLU A 83 11.922 5.656 -1.571 1.00 1.06 C ATOM 1222 O GLU A 83 11.648 5.809 -2.764 1.00 1.57 O ATOM 1223 CB GLU A 83 12.231 3.131 -1.775 1.00 1.03 C ATOM 1224 CG GLU A 83 13.754 3.072 -1.867 1.00 1.05 C ATOM 1225 CD GLU A 83 14.145 1.912 -2.772 1.00 1.45 C ATOM 1226 OE1 GLU A 83 13.771 1.980 -3.964 1.00 2.10 O ATOM 1227 OE2 GLU A 83 14.729 0.940 -2.252 1.00 2.22 O ATOM 0 H GLU A 83 9.828 3.761 -1.433 1.00 0.85 H new ATOM 0 HA GLU A 83 12.377 4.289 -0.006 1.00 0.87 H new ATOM 0 HB2 GLU A 83 11.855 2.194 -1.365 1.00 1.03 H new ATOM 0 HB3 GLU A 83 11.810 3.233 -2.775 1.00 1.03 H new ATOM 0 HG2 GLU A 83 14.145 4.009 -2.264 1.00 1.05 H new ATOM 0 HG3 GLU A 83 14.187 2.940 -0.876 1.00 1.05 H new ATOM 1234 N HIS A 84 12.264 6.667 -0.773 1.00 0.94 N ATOM 1235 CA HIS A 84 12.313 8.060 -1.210 1.00 0.84 C ATOM 1236 C HIS A 84 13.262 8.939 -0.378 1.00 0.76 C ATOM 1237 O HIS A 84 13.475 10.097 -0.734 1.00 1.13 O ATOM 1238 CB HIS A 84 10.879 8.621 -1.136 1.00 1.85 C ATOM 1239 CG HIS A 84 10.609 9.839 -1.989 1.00 1.69 C ATOM 1240 ND1 HIS A 84 11.543 10.721 -2.483 1.00 2.49 N ATOM 1241 CD2 HIS A 84 9.386 10.239 -2.455 1.00 1.95 C ATOM 1242 CE1 HIS A 84 10.897 11.610 -3.258 1.00 3.28 C ATOM 1243 NE2 HIS A 84 9.582 11.342 -3.288 1.00 2.99 N ATOM 0 H HIS A 84 12.518 6.539 0.207 1.00 0.94 H new ATOM 0 HA HIS A 84 12.709 8.081 -2.225 1.00 0.84 H new ATOM 0 HB2 HIS A 84 10.185 7.834 -1.429 1.00 1.85 H new ATOM 0 HB3 HIS A 84 10.659 8.871 -0.098 1.00 1.85 H new ATOM 0 HD1 HIS A 84 12.545 10.703 -2.295 1.00 2.49 H new ATOM 0 HD2 HIS A 84 8.436 9.782 -2.220 1.00 1.95 H new ATOM 0 HE1 HIS A 84 11.370 12.426 -3.783 1.00 3.28 H new ATOM 1251 N LEU A 85 13.774 8.460 0.759 1.00 0.81 N ATOM 1252 CA LEU A 85 14.054 9.322 1.896 1.00 0.95 C ATOM 1253 C LEU A 85 15.548 9.459 2.139 1.00 1.18 C ATOM 1254 O LEU A 85 16.309 8.497 2.040 1.00 1.47 O ATOM 1255 CB LEU A 85 13.301 8.805 3.132 1.00 0.96 C ATOM 1256 CG LEU A 85 11.821 9.177 3.020 1.00 1.03 C ATOM 1257 CD1 LEU A 85 10.858 8.164 3.646 1.00 1.57 C ATOM 1258 CD2 LEU A 85 11.539 10.581 3.565 1.00 1.76 C ATOM 0 H LEU A 85 14.001 7.477 0.911 1.00 0.81 H new ATOM 0 HA LEU A 85 13.694 10.327 1.678 1.00 0.95 H new ATOM 0 HB2 LEU A 85 13.410 7.723 3.212 1.00 0.96 H new ATOM 0 HB3 LEU A 85 13.728 9.236 4.038 1.00 0.96 H new ATOM 0 HG LEU A 85 11.623 9.162 1.948 1.00 1.03 H new ATOM 0 HD11 LEU A 85 9.832 8.510 3.519 1.00 1.57 H new ATOM 0 HD12 LEU A 85 10.978 7.198 3.156 1.00 1.57 H new ATOM 0 HD13 LEU A 85 11.078 8.062 4.709 1.00 1.57 H new ATOM 0 HD21 LEU A 85 10.477 10.803 3.466 1.00 1.76 H new ATOM 0 HD22 LEU A 85 11.822 10.627 4.616 1.00 1.76 H new ATOM 0 HD23 LEU A 85 12.117 11.313 3.001 1.00 1.76 H new ATOM 1270 N LYS A 86 15.927 10.690 2.495 1.00 1.33 N ATOM 1271 CA LYS A 86 17.289 11.144 2.718 1.00 1.60 C ATOM 1272 C LYS A 86 18.026 10.353 3.806 1.00 1.41 C ATOM 1273 O LYS A 86 19.253 10.387 3.860 1.00 1.67 O ATOM 1274 CB LYS A 86 17.291 12.657 3.001 1.00 1.98 C ATOM 1275 CG LYS A 86 16.181 13.193 3.926 1.00 1.96 C ATOM 1276 CD LYS A 86 16.052 12.402 5.231 1.00 2.35 C ATOM 1277 CE LYS A 86 15.339 13.136 6.373 1.00 2.62 C ATOM 1278 NZ LYS A 86 15.196 12.251 7.553 1.00 3.56 N ATOM 0 H LYS A 86 15.246 11.435 2.642 1.00 1.33 H new ATOM 0 HA LYS A 86 17.852 10.953 1.804 1.00 1.60 H new ATOM 0 HB2 LYS A 86 18.254 12.919 3.439 1.00 1.98 H new ATOM 0 HB3 LYS A 86 17.221 13.181 2.048 1.00 1.98 H new ATOM 0 HG2 LYS A 86 16.385 14.238 4.160 1.00 1.96 H new ATOM 0 HG3 LYS A 86 15.229 13.165 3.396 1.00 1.96 H new ATOM 0 HD2 LYS A 86 15.515 11.476 5.024 1.00 2.35 H new ATOM 0 HD3 LYS A 86 17.050 12.123 5.568 1.00 2.35 H new ATOM 0 HE2 LYS A 86 15.902 14.028 6.647 1.00 2.62 H new ATOM 0 HE3 LYS A 86 14.356 13.469 6.040 1.00 2.62 H new ATOM 0 HZ1 LYS A 86 15.170 12.827 8.418 1.00 3.56 H new ATOM 0 HZ2 LYS A 86 14.314 11.706 7.473 1.00 3.56 H new ATOM 0 HZ3 LYS A 86 16.004 11.597 7.597 1.00 3.56 H new ATOM 1292 N SER A 87 17.285 9.682 4.693 1.00 1.12 N ATOM 1293 CA SER A 87 17.851 8.879 5.769 1.00 1.10 C ATOM 1294 C SER A 87 17.620 7.416 5.382 1.00 1.07 C ATOM 1295 O SER A 87 16.510 7.094 4.962 1.00 1.02 O ATOM 1296 CB SER A 87 17.174 9.249 7.095 1.00 1.17 C ATOM 1297 OG SER A 87 17.332 10.627 7.398 1.00 1.39 O ATOM 0 H SER A 87 16.265 9.684 4.680 1.00 1.12 H new ATOM 0 HA SER A 87 18.918 9.057 5.907 1.00 1.10 H new ATOM 0 HB2 SER A 87 16.112 9.007 7.042 1.00 1.17 H new ATOM 0 HB3 SER A 87 17.597 8.648 7.900 1.00 1.17 H new ATOM 0 HG SER A 87 17.658 10.725 8.317 1.00 1.39 H new ATOM 1303 N PRO A 88 18.635 6.543 5.436 1.00 1.21 N ATOM 1304 CA PRO A 88 18.549 5.211 4.859 1.00 1.27 C ATOM 1305 C PRO A 88 17.377 4.423 5.445 1.00 1.19 C ATOM 1306 O PRO A 88 16.504 3.968 4.706 1.00 1.45 O ATOM 1307 CB PRO A 88 19.908 4.550 5.122 1.00 1.53 C ATOM 1308 CG PRO A 88 20.505 5.358 6.276 1.00 1.62 C ATOM 1309 CD PRO A 88 19.927 6.756 6.064 1.00 1.46 C ATOM 0 HA PRO A 88 18.348 5.245 3.788 1.00 1.27 H new ATOM 0 HB2 PRO A 88 19.794 3.499 5.389 1.00 1.53 H new ATOM 0 HB3 PRO A 88 20.546 4.587 4.239 1.00 1.53 H new ATOM 0 HG2 PRO A 88 20.219 4.947 7.244 1.00 1.62 H new ATOM 0 HG3 PRO A 88 21.594 5.364 6.241 1.00 1.62 H new ATOM 0 HD2 PRO A 88 19.822 7.286 7.010 1.00 1.46 H new ATOM 0 HD3 PRO A 88 20.578 7.359 5.431 1.00 1.46 H new ATOM 1317 N GLU A 89 17.333 4.304 6.770 1.00 1.17 N ATOM 1318 CA GLU A 89 16.341 3.531 7.497 1.00 1.27 C ATOM 1319 C GLU A 89 14.921 4.092 7.340 1.00 1.15 C ATOM 1320 O GLU A 89 13.947 3.364 7.531 1.00 1.43 O ATOM 1321 CB GLU A 89 16.741 3.337 8.973 1.00 1.68 C ATOM 1322 CG GLU A 89 17.761 4.336 9.546 1.00 1.91 C ATOM 1323 CD GLU A 89 17.307 5.781 9.428 1.00 2.20 C ATOM 1324 OE1 GLU A 89 16.654 6.258 10.379 1.00 2.86 O ATOM 1325 OE2 GLU A 89 17.606 6.372 8.365 1.00 3.06 O ATOM 0 H GLU A 89 18.010 4.759 7.382 1.00 1.17 H new ATOM 0 HA GLU A 89 16.319 2.541 7.042 1.00 1.27 H new ATOM 0 HB2 GLU A 89 15.837 3.386 9.580 1.00 1.68 H new ATOM 0 HB3 GLU A 89 17.147 2.332 9.087 1.00 1.68 H new ATOM 0 HG2 GLU A 89 17.941 4.102 10.595 1.00 1.91 H new ATOM 0 HG3 GLU A 89 18.711 4.216 9.025 1.00 1.91 H new ATOM 1332 N LEU A 90 14.783 5.365 6.957 1.00 1.12 N ATOM 1333 CA LEU A 90 13.477 5.930 6.633 1.00 1.09 C ATOM 1334 C LEU A 90 12.885 5.310 5.368 1.00 0.94 C ATOM 1335 O LEU A 90 11.678 5.432 5.161 1.00 1.06 O ATOM 1336 CB LEU A 90 13.551 7.457 6.483 1.00 1.14 C ATOM 1337 CG LEU A 90 13.326 8.251 7.774 1.00 1.44 C ATOM 1338 CD1 LEU A 90 11.847 8.234 8.184 1.00 1.44 C ATOM 1339 CD2 LEU A 90 14.222 7.762 8.911 1.00 2.37 C ATOM 0 H LEU A 90 15.560 6.019 6.865 1.00 1.12 H new ATOM 0 HA LEU A 90 12.818 5.691 7.468 1.00 1.09 H new ATOM 0 HB2 LEU A 90 14.529 7.719 6.080 1.00 1.14 H new ATOM 0 HB3 LEU A 90 12.809 7.770 5.749 1.00 1.14 H new ATOM 0 HG LEU A 90 13.606 9.284 7.569 1.00 1.44 H new ATOM 0 HD11 LEU A 90 11.718 8.805 9.103 1.00 1.44 H new ATOM 0 HD12 LEU A 90 11.245 8.679 7.392 1.00 1.44 H new ATOM 0 HD13 LEU A 90 11.527 7.205 8.348 1.00 1.44 H new ATOM 0 HD21 LEU A 90 14.029 8.353 9.806 1.00 2.37 H new ATOM 0 HD22 LEU A 90 14.010 6.713 9.116 1.00 2.37 H new ATOM 0 HD23 LEU A 90 15.268 7.871 8.623 1.00 2.37 H new ATOM 1351 N ASN A 91 13.689 4.669 4.508 1.00 0.81 N ATOM 1352 CA ASN A 91 13.185 4.045 3.298 1.00 0.75 C ATOM 1353 C ASN A 91 12.415 2.788 3.682 1.00 0.74 C ATOM 1354 O ASN A 91 12.942 1.674 3.636 1.00 0.95 O ATOM 1355 CB ASN A 91 14.319 3.790 2.303 1.00 0.83 C ATOM 1356 CG ASN A 91 14.853 5.130 1.809 1.00 0.93 C ATOM 1357 OD1 ASN A 91 14.320 5.704 0.863 1.00 1.72 O ATOM 1358 ND2 ASN A 91 15.848 5.685 2.491 1.00 1.19 N ATOM 0 H ASN A 91 14.696 4.574 4.638 1.00 0.81 H new ATOM 0 HA ASN A 91 12.494 4.711 2.782 1.00 0.75 H new ATOM 0 HB2 ASN A 91 15.116 3.219 2.778 1.00 0.83 H new ATOM 0 HB3 ASN A 91 13.958 3.196 1.464 1.00 0.83 H new ATOM 0 HD21 ASN A 91 16.188 6.611 2.233 1.00 1.19 H new ATOM 0 HD22 ASN A 91 16.272 5.185 3.272 1.00 1.19 H new ATOM 1365 N VAL A 92 11.172 3.011 4.112 1.00 0.90 N ATOM 1366 CA VAL A 92 10.237 1.990 4.526 1.00 0.83 C ATOM 1367 C VAL A 92 9.946 1.068 3.352 1.00 0.82 C ATOM 1368 O VAL A 92 9.668 1.542 2.249 1.00 0.99 O ATOM 1369 CB VAL A 92 8.945 2.636 5.070 1.00 0.78 C ATOM 1370 CG1 VAL A 92 7.699 1.746 4.939 1.00 0.90 C ATOM 1371 CG2 VAL A 92 9.090 3.000 6.543 1.00 1.11 C ATOM 0 H VAL A 92 10.783 3.951 4.180 1.00 0.90 H new ATOM 0 HA VAL A 92 10.672 1.398 5.331 1.00 0.83 H new ATOM 0 HB VAL A 92 8.803 3.523 4.452 1.00 0.78 H new ATOM 0 HG11 VAL A 92 6.833 2.270 5.343 1.00 0.90 H new ATOM 0 HG12 VAL A 92 7.525 1.515 3.888 1.00 0.90 H new ATOM 0 HG13 VAL A 92 7.853 0.820 5.493 1.00 0.90 H new ATOM 0 HG21 VAL A 92 8.165 3.453 6.899 1.00 1.11 H new ATOM 0 HG22 VAL A 92 9.299 2.100 7.121 1.00 1.11 H new ATOM 0 HG23 VAL A 92 9.910 3.708 6.664 1.00 1.11 H new ATOM 1381 N ASP A 93 9.936 -0.238 3.621 1.00 0.75 N ATOM 1382 CA ASP A 93 9.404 -1.216 2.690 1.00 0.73 C ATOM 1383 C ASP A 93 8.167 -1.867 3.310 1.00 0.68 C ATOM 1384 O ASP A 93 7.921 -1.768 4.515 1.00 0.78 O ATOM 1385 CB ASP A 93 10.484 -2.215 2.243 1.00 0.73 C ATOM 1386 CG ASP A 93 10.241 -2.700 0.815 1.00 0.91 C ATOM 1387 OD1 ASP A 93 9.057 -2.920 0.482 1.00 2.28 O ATOM 1388 OD2 ASP A 93 11.231 -2.797 0.058 1.00 2.00 O ATOM 0 H ASP A 93 10.296 -0.639 4.487 1.00 0.75 H new ATOM 0 HA ASP A 93 9.087 -0.727 1.769 1.00 0.73 H new ATOM 0 HB2 ASP A 93 11.465 -1.744 2.307 1.00 0.73 H new ATOM 0 HB3 ASP A 93 10.495 -3.068 2.921 1.00 0.73 H new ATOM 1393 N LEU A 94 7.361 -2.466 2.445 1.00 0.72 N ATOM 1394 CA LEU A 94 6.023 -2.964 2.672 1.00 0.74 C ATOM 1395 C LEU A 94 6.004 -4.486 2.472 1.00 0.75 C ATOM 1396 O LEU A 94 6.635 -4.998 1.552 1.00 0.97 O ATOM 1397 CB LEU A 94 5.088 -2.204 1.706 1.00 1.12 C ATOM 1398 CG LEU A 94 3.943 -1.555 2.480 1.00 1.09 C ATOM 1399 CD1 LEU A 94 3.151 -0.527 1.671 1.00 1.12 C ATOM 1400 CD2 LEU A 94 2.980 -2.631 2.969 1.00 2.58 C ATOM 0 H LEU A 94 7.659 -2.627 1.483 1.00 0.72 H new ATOM 0 HA LEU A 94 5.679 -2.791 3.692 1.00 0.74 H new ATOM 0 HB2 LEU A 94 5.651 -1.441 1.168 1.00 1.12 H new ATOM 0 HB3 LEU A 94 4.689 -2.891 0.960 1.00 1.12 H new ATOM 0 HG LEU A 94 4.407 -1.023 3.310 1.00 1.09 H new ATOM 0 HD11 LEU A 94 2.356 -0.111 2.290 1.00 1.12 H new ATOM 0 HD12 LEU A 94 3.817 0.274 1.349 1.00 1.12 H new ATOM 0 HD13 LEU A 94 2.715 -1.010 0.796 1.00 1.12 H new ATOM 0 HD21 LEU A 94 2.164 -2.165 3.521 1.00 2.58 H new ATOM 0 HD22 LEU A 94 2.577 -3.174 2.114 1.00 2.58 H new ATOM 0 HD23 LEU A 94 3.510 -3.324 3.622 1.00 2.58 H new ATOM 1412 N ALA A 95 5.312 -5.218 3.353 1.00 0.74 N ATOM 1413 CA ALA A 95 5.154 -6.660 3.245 1.00 0.82 C ATOM 1414 C ALA A 95 3.993 -7.002 2.308 1.00 0.77 C ATOM 1415 O ALA A 95 2.883 -6.477 2.448 1.00 0.85 O ATOM 1416 CB ALA A 95 4.924 -7.270 4.631 1.00 1.01 C ATOM 0 H ALA A 95 4.845 -4.816 4.165 1.00 0.74 H new ATOM 0 HA ALA A 95 6.067 -7.082 2.826 1.00 0.82 H new ATOM 0 HB1 ALA A 95 4.807 -8.350 4.538 1.00 1.01 H new ATOM 0 HB2 ALA A 95 5.779 -7.051 5.271 1.00 1.01 H new ATOM 0 HB3 ALA A 95 4.022 -6.844 5.071 1.00 1.01 H new ATOM 1422 N ALA A 96 4.243 -7.925 1.376 1.00 0.81 N ATOM 1423 CA ALA A 96 3.289 -8.324 0.357 1.00 0.85 C ATOM 1424 C ALA A 96 2.234 -9.226 0.988 1.00 0.75 C ATOM 1425 O ALA A 96 2.566 -10.240 1.598 1.00 1.15 O ATOM 1426 CB ALA A 96 4.032 -9.059 -0.762 1.00 1.15 C ATOM 0 H ALA A 96 5.132 -8.421 1.314 1.00 0.81 H new ATOM 0 HA ALA A 96 2.795 -7.449 -0.066 1.00 0.85 H new ATOM 0 HB1 ALA A 96 3.322 -9.362 -1.532 1.00 1.15 H new ATOM 0 HB2 ALA A 96 4.780 -8.397 -1.198 1.00 1.15 H new ATOM 0 HB3 ALA A 96 4.524 -9.942 -0.354 1.00 1.15 H new ATOM 1432 N ALA A 97 0.965 -8.833 0.857 1.00 0.61 N ATOM 1433 CA ALA A 97 -0.173 -9.540 1.413 1.00 0.68 C ATOM 1434 C ALA A 97 -1.354 -9.355 0.467 1.00 0.79 C ATOM 1435 O ALA A 97 -1.479 -8.307 -0.165 1.00 1.12 O ATOM 1436 CB ALA A 97 -0.490 -8.984 2.804 1.00 0.90 C ATOM 0 H ALA A 97 0.702 -7.990 0.346 1.00 0.61 H new ATOM 0 HA ALA A 97 0.043 -10.603 1.517 1.00 0.68 H new ATOM 0 HB1 ALA A 97 -1.345 -9.515 3.222 1.00 0.90 H new ATOM 0 HB2 ALA A 97 0.374 -9.118 3.455 1.00 0.90 H new ATOM 0 HB3 ALA A 97 -0.725 -7.922 2.727 1.00 0.90 H new ATOM 1442 N ASP A 98 -2.196 -10.384 0.376 1.00 0.97 N ATOM 1443 CA ASP A 98 -3.335 -10.445 -0.530 1.00 1.18 C ATOM 1444 C ASP A 98 -4.511 -9.647 0.036 1.00 1.15 C ATOM 1445 O ASP A 98 -4.498 -9.217 1.190 1.00 1.28 O ATOM 1446 CB ASP A 98 -3.768 -11.909 -0.721 1.00 1.58 C ATOM 1447 CG ASP A 98 -2.641 -12.808 -1.194 1.00 2.84 C ATOM 1448 OD1 ASP A 98 -2.543 -13.075 -2.411 1.00 4.49 O ATOM 1449 OD2 ASP A 98 -1.851 -13.249 -0.332 1.00 3.25 O ATOM 0 H ASP A 98 -2.098 -11.222 0.949 1.00 0.97 H new ATOM 0 HA ASP A 98 -3.039 -10.017 -1.488 1.00 1.18 H new ATOM 0 HB2 ASP A 98 -4.158 -12.292 0.222 1.00 1.58 H new ATOM 0 HB3 ASP A 98 -4.584 -11.949 -1.443 1.00 1.58 H new ATOM 1454 N ILE A 99 -5.561 -9.507 -0.773 1.00 1.19 N ATOM 1455 CA ILE A 99 -6.876 -9.040 -0.394 1.00 1.14 C ATOM 1456 C ILE A 99 -7.807 -10.118 -0.929 1.00 1.55 C ATOM 1457 O ILE A 99 -8.134 -10.140 -2.114 1.00 2.21 O ATOM 1458 CB ILE A 99 -7.123 -7.634 -0.962 1.00 1.17 C ATOM 1459 CG1 ILE A 99 -8.606 -7.317 -1.131 1.00 1.29 C ATOM 1460 CG2 ILE A 99 -6.442 -7.373 -2.298 1.00 1.56 C ATOM 1461 CD1 ILE A 99 -8.784 -5.821 -1.413 1.00 1.55 C ATOM 0 H ILE A 99 -5.503 -9.732 -1.766 1.00 1.19 H new ATOM 0 HA ILE A 99 -7.025 -8.913 0.678 1.00 1.14 H new ATOM 0 HB ILE A 99 -6.680 -6.982 -0.209 1.00 1.17 H new ATOM 0 HG12 ILE A 99 -9.022 -7.904 -1.950 1.00 1.29 H new ATOM 0 HG13 ILE A 99 -9.152 -7.595 -0.230 1.00 1.29 H new ATOM 0 HG21 ILE A 99 -6.667 -6.359 -2.629 1.00 1.56 H new ATOM 0 HG22 ILE A 99 -5.364 -7.487 -2.185 1.00 1.56 H new ATOM 0 HG23 ILE A 99 -6.807 -8.085 -3.038 1.00 1.56 H new ATOM 0 HD11 ILE A 99 -9.844 -5.597 -1.533 1.00 1.55 H new ATOM 0 HD12 ILE A 99 -8.383 -5.244 -0.580 1.00 1.55 H new ATOM 0 HD13 ILE A 99 -8.251 -5.557 -2.327 1.00 1.55 H new ATOM 1473 N LYS A 100 -8.130 -11.084 -0.072 1.00 1.57 N ATOM 1474 CA LYS A 100 -8.713 -12.334 -0.482 1.00 2.17 C ATOM 1475 C LYS A 100 -10.214 -12.357 -0.149 1.00 2.02 C ATOM 1476 O LYS A 100 -11.011 -12.389 -1.082 1.00 2.99 O ATOM 1477 CB LYS A 100 -7.805 -13.439 0.076 1.00 3.02 C ATOM 1478 CG LYS A 100 -8.289 -14.848 -0.229 1.00 4.23 C ATOM 1479 CD LYS A 100 -8.967 -15.450 1.002 1.00 4.59 C ATOM 1480 CE LYS A 100 -9.600 -16.806 0.678 1.00 5.98 C ATOM 1481 NZ LYS A 100 -8.668 -17.708 -0.026 1.00 7.34 N ATOM 0 H LYS A 100 -7.988 -11.008 0.935 1.00 1.57 H new ATOM 0 HA LYS A 100 -8.738 -12.501 -1.559 1.00 2.17 H new ATOM 0 HB2 LYS A 100 -6.803 -13.313 -0.334 1.00 3.02 H new ATOM 0 HB3 LYS A 100 -7.725 -13.319 1.156 1.00 3.02 H new ATOM 0 HG2 LYS A 100 -8.988 -14.827 -1.065 1.00 4.23 H new ATOM 0 HG3 LYS A 100 -7.448 -15.472 -0.532 1.00 4.23 H new ATOM 0 HD2 LYS A 100 -8.236 -15.569 1.802 1.00 4.59 H new ATOM 0 HD3 LYS A 100 -9.733 -14.767 1.369 1.00 4.59 H new ATOM 0 HE2 LYS A 100 -9.931 -17.279 1.602 1.00 5.98 H new ATOM 0 HE3 LYS A 100 -10.487 -16.652 0.063 1.00 5.98 H new ATOM 0 HZ1 LYS A 100 -8.872 -18.693 0.238 1.00 7.34 H new ATOM 0 HZ2 LYS A 100 -8.784 -17.594 -1.053 1.00 7.34 H new ATOM 0 HZ3 LYS A 100 -7.690 -17.474 0.241 1.00 7.34 H new ATOM 1495 N PRO A 101 -10.647 -12.299 1.123 1.00 1.64 N ATOM 1496 CA PRO A 101 -12.064 -12.364 1.440 1.00 2.08 C ATOM 1497 C PRO A 101 -12.710 -10.979 1.325 1.00 1.87 C ATOM 1498 O PRO A 101 -12.034 -9.961 1.484 1.00 2.99 O ATOM 1499 CB PRO A 101 -12.102 -12.841 2.893 1.00 3.01 C ATOM 1500 CG PRO A 101 -10.883 -12.143 3.497 1.00 3.18 C ATOM 1501 CD PRO A 101 -9.869 -12.147 2.350 1.00 2.24 C ATOM 0 HA PRO A 101 -12.609 -13.021 0.762 1.00 2.08 H new ATOM 0 HB2 PRO A 101 -13.026 -12.550 3.392 1.00 3.01 H new ATOM 0 HB3 PRO A 101 -12.028 -13.926 2.967 1.00 3.01 H new ATOM 0 HG2 PRO A 101 -11.120 -11.129 3.821 1.00 3.18 H new ATOM 0 HG3 PRO A 101 -10.505 -12.676 4.369 1.00 3.18 H new ATOM 0 HD2 PRO A 101 -9.294 -11.221 2.335 1.00 2.24 H new ATOM 0 HD3 PRO A 101 -9.156 -12.963 2.463 1.00 2.24 H new ATOM 1509 N ASP A 102 -14.033 -10.947 1.147 1.00 2.04 N ATOM 1510 CA ASP A 102 -14.879 -9.816 1.501 1.00 2.09 C ATOM 1511 C ASP A 102 -16.309 -10.317 1.668 1.00 2.26 C ATOM 1512 O ASP A 102 -16.554 -11.517 1.764 1.00 3.32 O ATOM 1513 CB ASP A 102 -14.796 -8.656 0.489 1.00 3.12 C ATOM 1514 CG ASP A 102 -15.702 -8.812 -0.728 1.00 5.01 C ATOM 1515 OD1 ASP A 102 -15.351 -9.638 -1.599 1.00 6.07 O ATOM 1516 OD2 ASP A 102 -16.722 -8.080 -0.744 1.00 5.87 O ATOM 0 H ASP A 102 -14.553 -11.726 0.743 1.00 2.04 H new ATOM 0 HA ASP A 102 -14.519 -9.396 2.440 1.00 2.09 H new ATOM 0 HB2 ASP A 102 -15.051 -7.727 0.999 1.00 3.12 H new ATOM 0 HB3 ASP A 102 -13.765 -8.561 0.149 1.00 3.12 H new ATOM 1521 N GLY A 103 -17.240 -9.370 1.678 1.00 2.47 N ATOM 1522 CA GLY A 103 -18.641 -9.599 1.413 1.00 3.18 C ATOM 1523 C GLY A 103 -19.331 -8.249 1.524 1.00 3.14 C ATOM 1524 O GLY A 103 -20.211 -8.057 2.362 1.00 4.14 O ATOM 0 H GLY A 103 -17.026 -8.393 1.878 1.00 2.47 H new ATOM 0 HA2 GLY A 103 -18.783 -10.026 0.420 1.00 3.18 H new ATOM 0 HA3 GLY A 103 -19.060 -10.308 2.127 1.00 3.18 H new ATOM 1528 N LYS A 104 -18.846 -7.269 0.755 1.00 2.46 N ATOM 1529 CA LYS A 104 -19.178 -5.872 0.996 1.00 2.80 C ATOM 1530 C LYS A 104 -18.840 -5.002 -0.212 1.00 3.05 C ATOM 1531 O LYS A 104 -18.401 -3.858 -0.070 1.00 3.81 O ATOM 1532 CB LYS A 104 -18.410 -5.403 2.238 1.00 2.75 C ATOM 1533 CG LYS A 104 -19.119 -4.217 2.893 1.00 3.67 C ATOM 1534 CD LYS A 104 -18.248 -3.616 3.999 1.00 4.07 C ATOM 1535 CE LYS A 104 -17.754 -4.629 5.045 1.00 4.84 C ATOM 1536 NZ LYS A 104 -18.839 -5.483 5.576 1.00 5.49 N ATOM 0 H LYS A 104 -18.223 -7.423 -0.038 1.00 2.46 H new ATOM 0 HA LYS A 104 -20.251 -5.777 1.162 1.00 2.80 H new ATOM 0 HB2 LYS A 104 -18.326 -6.223 2.951 1.00 2.75 H new ATOM 0 HB3 LYS A 104 -17.396 -5.118 1.959 1.00 2.75 H new ATOM 0 HG2 LYS A 104 -19.339 -3.458 2.143 1.00 3.67 H new ATOM 0 HG3 LYS A 104 -20.073 -4.541 3.309 1.00 3.67 H new ATOM 0 HD2 LYS A 104 -17.384 -3.135 3.542 1.00 4.07 H new ATOM 0 HD3 LYS A 104 -18.815 -2.836 4.507 1.00 4.07 H new ATOM 0 HE2 LYS A 104 -16.987 -5.261 4.597 1.00 4.84 H new ATOM 0 HE3 LYS A 104 -17.284 -4.093 5.869 1.00 4.84 H new ATOM 0 HZ1 LYS A 104 -18.669 -5.673 6.584 1.00 5.49 H new ATOM 0 HZ2 LYS A 104 -19.751 -4.995 5.464 1.00 5.49 H new ATOM 0 HZ3 LYS A 104 -18.861 -6.382 5.053 1.00 5.49 H new ATOM 1550 N ARG A 105 -19.042 -5.533 -1.412 1.00 2.98 N ATOM 1551 CA ARG A 105 -18.553 -4.980 -2.666 1.00 3.20 C ATOM 1552 C ARG A 105 -17.030 -5.077 -2.767 1.00 2.87 C ATOM 1553 O ARG A 105 -16.532 -5.478 -3.813 1.00 3.09 O ATOM 1554 CB ARG A 105 -19.029 -3.555 -3.005 1.00 3.51 C ATOM 1555 CG ARG A 105 -20.554 -3.350 -3.077 1.00 4.27 C ATOM 1556 CD ARG A 105 -21.284 -3.283 -1.728 1.00 5.60 C ATOM 1557 NE ARG A 105 -20.568 -2.404 -0.788 1.00 6.49 N ATOM 1558 CZ ARG A 105 -20.994 -1.268 -0.213 1.00 7.80 C ATOM 1559 NH1 ARG A 105 -22.257 -0.850 -0.361 1.00 8.41 N ATOM 1560 NH2 ARG A 105 -20.135 -0.553 0.522 1.00 9.04 N ATOM 0 H ARG A 105 -19.572 -6.395 -1.542 1.00 2.98 H new ATOM 0 HA ARG A 105 -19.014 -5.614 -3.423 1.00 3.20 H new ATOM 0 HB2 ARG A 105 -18.626 -2.872 -2.258 1.00 3.51 H new ATOM 0 HB3 ARG A 105 -18.598 -3.268 -3.964 1.00 3.51 H new ATOM 0 HG2 ARG A 105 -20.752 -2.427 -3.622 1.00 4.27 H new ATOM 0 HG3 ARG A 105 -20.984 -4.164 -3.661 1.00 4.27 H new ATOM 0 HD2 ARG A 105 -22.299 -2.914 -1.877 1.00 5.60 H new ATOM 0 HD3 ARG A 105 -21.368 -4.284 -1.305 1.00 5.60 H new ATOM 0 HE ARG A 105 -19.623 -2.697 -0.541 1.00 6.49 H new ATOM 0 HH11 ARG A 105 -22.913 -1.397 -0.918 1.00 8.41 H new ATOM 0 HH12 ARG A 105 -22.563 0.016 0.083 1.00 8.41 H new ATOM 0 HH21 ARG A 105 -19.174 -0.873 0.638 1.00 9.04 H new ATOM 0 HH22 ARG A 105 -20.441 0.313 0.966 1.00 9.04 H new ATOM 1574 N HIS A 106 -16.297 -4.691 -1.718 1.00 3.00 N ATOM 1575 CA HIS A 106 -14.860 -4.864 -1.638 1.00 2.75 C ATOM 1576 C HIS A 106 -14.366 -4.828 -0.193 1.00 2.55 C ATOM 1577 O HIS A 106 -15.061 -4.308 0.681 1.00 4.09 O ATOM 1578 CB HIS A 106 -14.132 -3.832 -2.516 1.00 3.38 C ATOM 1579 CG HIS A 106 -14.290 -2.373 -2.137 1.00 4.84 C ATOM 1580 ND1 HIS A 106 -13.516 -1.349 -2.634 1.00 5.47 N ATOM 1581 CD2 HIS A 106 -15.233 -1.803 -1.318 1.00 6.39 C ATOM 1582 CE1 HIS A 106 -13.977 -0.196 -2.120 1.00 6.92 C ATOM 1583 NE2 HIS A 106 -15.026 -0.420 -1.315 1.00 7.48 N ATOM 0 H HIS A 106 -16.699 -4.244 -0.894 1.00 3.00 H new ATOM 0 HA HIS A 106 -14.623 -5.854 -2.027 1.00 2.75 H new ATOM 0 HB2 HIS A 106 -13.069 -4.071 -2.508 1.00 3.38 H new ATOM 0 HB3 HIS A 106 -14.479 -3.955 -3.542 1.00 3.38 H new ATOM 0 HD1 HIS A 106 -12.731 -1.448 -3.278 1.00 5.47 H new ATOM 0 HD2 HIS A 106 -16.001 -2.331 -0.771 1.00 6.39 H new ATOM 0 HE1 HIS A 106 -13.560 0.778 -2.327 1.00 6.92 H new ATOM 1591 N ALA A 107 -13.165 -5.370 0.040 1.00 1.38 N ATOM 1592 CA ALA A 107 -12.431 -5.253 1.298 1.00 1.99 C ATOM 1593 C ALA A 107 -11.116 -4.485 1.087 1.00 1.48 C ATOM 1594 O ALA A 107 -11.066 -3.539 0.302 1.00 1.63 O ATOM 1595 CB ALA A 107 -12.197 -6.650 1.877 1.00 3.06 C ATOM 0 H ALA A 107 -12.666 -5.916 -0.663 1.00 1.38 H new ATOM 0 HA ALA A 107 -13.018 -4.681 2.017 1.00 1.99 H new ATOM 0 HB1 ALA A 107 -11.650 -6.568 2.816 1.00 3.06 H new ATOM 0 HB2 ALA A 107 -13.157 -7.134 2.058 1.00 3.06 H new ATOM 0 HB3 ALA A 107 -11.618 -7.244 1.170 1.00 3.06 H new ATOM 1601 N VAL A 108 -10.054 -4.885 1.798 1.00 1.18 N ATOM 1602 CA VAL A 108 -8.742 -4.262 1.810 1.00 0.86 C ATOM 1603 C VAL A 108 -7.688 -5.342 2.016 1.00 0.83 C ATOM 1604 O VAL A 108 -8.005 -6.458 2.426 1.00 1.01 O ATOM 1605 CB VAL A 108 -8.622 -3.241 2.957 1.00 0.89 C ATOM 1606 CG1 VAL A 108 -9.284 -1.922 2.586 1.00 1.09 C ATOM 1607 CG2 VAL A 108 -9.183 -3.772 4.283 1.00 1.12 C ATOM 0 H VAL A 108 -10.099 -5.698 2.412 1.00 1.18 H new ATOM 0 HA VAL A 108 -8.597 -3.745 0.861 1.00 0.86 H new ATOM 0 HB VAL A 108 -7.556 -3.069 3.108 1.00 0.89 H new ATOM 0 HG11 VAL A 108 -9.185 -1.220 3.414 1.00 1.09 H new ATOM 0 HG12 VAL A 108 -8.802 -1.509 1.700 1.00 1.09 H new ATOM 0 HG13 VAL A 108 -10.341 -2.091 2.379 1.00 1.09 H new ATOM 0 HG21 VAL A 108 -9.072 -3.011 5.056 1.00 1.12 H new ATOM 0 HG22 VAL A 108 -10.239 -4.014 4.161 1.00 1.12 H new ATOM 0 HG23 VAL A 108 -8.637 -4.669 4.576 1.00 1.12 H new ATOM 1617 N ILE A 109 -6.433 -4.963 1.788 1.00 0.78 N ATOM 1618 CA ILE A 109 -5.260 -5.687 2.240 1.00 0.75 C ATOM 1619 C ILE A 109 -5.046 -5.362 3.721 1.00 0.74 C ATOM 1620 O ILE A 109 -5.665 -4.439 4.250 1.00 1.02 O ATOM 1621 CB ILE A 109 -4.055 -5.279 1.361 1.00 0.89 C ATOM 1622 CG1 ILE A 109 -4.329 -5.707 -0.084 1.00 1.58 C ATOM 1623 CG2 ILE A 109 -2.707 -5.851 1.831 1.00 2.03 C ATOM 1624 CD1 ILE A 109 -3.244 -5.260 -1.049 1.00 2.18 C ATOM 0 H ILE A 109 -6.203 -4.117 1.267 1.00 0.78 H new ATOM 0 HA ILE A 109 -5.382 -6.766 2.144 1.00 0.75 H new ATOM 0 HB ILE A 109 -3.958 -4.196 1.443 1.00 0.89 H new ATOM 0 HG12 ILE A 109 -4.420 -6.792 -0.125 1.00 1.58 H new ATOM 0 HG13 ILE A 109 -5.286 -5.295 -0.405 1.00 1.58 H new ATOM 0 HG21 ILE A 109 -1.916 -5.517 1.160 1.00 2.03 H new ATOM 0 HG22 ILE A 109 -2.497 -5.502 2.842 1.00 2.03 H new ATOM 0 HG23 ILE A 109 -2.752 -6.940 1.825 1.00 2.03 H new ATOM 0 HD11 ILE A 109 -3.494 -5.592 -2.057 1.00 2.18 H new ATOM 0 HD12 ILE A 109 -3.169 -4.173 -1.034 1.00 2.18 H new ATOM 0 HD13 ILE A 109 -2.290 -5.694 -0.750 1.00 2.18 H new ATOM 1636 N SER A 110 -4.154 -6.097 4.387 1.00 0.74 N ATOM 1637 CA SER A 110 -3.616 -5.729 5.687 1.00 0.75 C ATOM 1638 C SER A 110 -2.176 -6.250 5.753 1.00 0.72 C ATOM 1639 O SER A 110 -1.947 -7.353 6.243 1.00 0.94 O ATOM 1640 CB SER A 110 -4.510 -6.289 6.801 1.00 0.84 C ATOM 1641 OG SER A 110 -4.158 -5.710 8.043 1.00 1.85 O ATOM 0 H SER A 110 -3.783 -6.977 4.029 1.00 0.74 H new ATOM 0 HA SER A 110 -3.601 -4.648 5.828 1.00 0.75 H new ATOM 0 HB2 SER A 110 -5.556 -6.081 6.577 1.00 0.84 H new ATOM 0 HB3 SER A 110 -4.404 -7.373 6.853 1.00 0.84 H new ATOM 0 HG SER A 110 -4.735 -6.072 8.748 1.00 1.85 H new ATOM 1647 N GLY A 111 -1.219 -5.502 5.190 1.00 0.67 N ATOM 1648 CA GLY A 111 0.186 -5.890 5.180 1.00 0.70 C ATOM 1649 C GLY A 111 0.963 -5.070 6.216 1.00 0.63 C ATOM 1650 O GLY A 111 0.636 -3.910 6.475 1.00 0.97 O ATOM 0 H GLY A 111 -1.403 -4.611 4.730 1.00 0.67 H new ATOM 0 HA2 GLY A 111 0.280 -6.953 5.401 1.00 0.70 H new ATOM 0 HA3 GLY A 111 0.608 -5.732 4.188 1.00 0.70 H new ATOM 1654 N SER A 112 1.987 -5.675 6.827 1.00 0.63 N ATOM 1655 CA SER A 112 2.883 -4.986 7.752 1.00 0.54 C ATOM 1656 C SER A 112 3.902 -4.176 6.946 1.00 0.44 C ATOM 1657 O SER A 112 4.118 -4.473 5.773 1.00 0.54 O ATOM 1658 CB SER A 112 3.559 -6.005 8.673 1.00 0.73 C ATOM 1659 OG SER A 112 2.554 -6.702 9.391 1.00 1.36 O ATOM 0 H SER A 112 2.216 -6.660 6.691 1.00 0.63 H new ATOM 0 HA SER A 112 2.324 -4.297 8.384 1.00 0.54 H new ATOM 0 HB2 SER A 112 4.160 -6.703 8.089 1.00 0.73 H new ATOM 0 HB3 SER A 112 4.236 -5.501 9.363 1.00 0.73 H new ATOM 0 HG SER A 112 2.973 -7.360 9.984 1.00 1.36 H new ATOM 1665 N VAL A 113 4.513 -3.146 7.536 1.00 0.43 N ATOM 1666 CA VAL A 113 5.568 -2.380 6.877 1.00 0.44 C ATOM 1667 C VAL A 113 6.697 -2.201 7.877 1.00 0.65 C ATOM 1668 O VAL A 113 6.445 -2.234 9.083 1.00 0.81 O ATOM 1669 CB VAL A 113 5.056 -1.032 6.315 1.00 0.49 C ATOM 1670 CG1 VAL A 113 3.536 -1.000 6.139 1.00 0.58 C ATOM 1671 CG2 VAL A 113 5.411 0.176 7.182 1.00 0.74 C ATOM 0 H VAL A 113 4.291 -2.823 8.478 1.00 0.43 H new ATOM 0 HA VAL A 113 5.930 -2.923 6.004 1.00 0.44 H new ATOM 0 HB VAL A 113 5.564 -0.961 5.353 1.00 0.49 H new ATOM 0 HG11 VAL A 113 3.236 -0.030 5.742 1.00 0.58 H new ATOM 0 HG12 VAL A 113 3.233 -1.785 5.446 1.00 0.58 H new ATOM 0 HG13 VAL A 113 3.055 -1.162 7.103 1.00 0.58 H new ATOM 0 HG21 VAL A 113 5.018 1.082 6.722 1.00 0.74 H new ATOM 0 HG22 VAL A 113 4.974 0.053 8.173 1.00 0.74 H new ATOM 0 HG23 VAL A 113 6.495 0.255 7.270 1.00 0.74 H new ATOM 1681 N LEU A 114 7.921 -1.986 7.390 1.00 0.83 N ATOM 1682 CA LEU A 114 9.066 -1.829 8.266 1.00 1.14 C ATOM 1683 C LEU A 114 9.873 -0.585 7.938 1.00 1.06 C ATOM 1684 O LEU A 114 10.033 -0.233 6.772 1.00 1.05 O ATOM 1685 CB LEU A 114 9.888 -3.130 8.322 1.00 1.52 C ATOM 1686 CG LEU A 114 10.974 -3.332 7.255 1.00 1.02 C ATOM 1687 CD1 LEU A 114 11.682 -4.664 7.525 1.00 1.43 C ATOM 1688 CD2 LEU A 114 10.450 -3.343 5.820 1.00 2.12 C ATOM 0 H LEU A 114 8.136 -1.918 6.395 1.00 0.83 H new ATOM 0 HA LEU A 114 8.709 -1.655 9.281 1.00 1.14 H new ATOM 0 HB2 LEU A 114 10.365 -3.184 9.301 1.00 1.52 H new ATOM 0 HB3 LEU A 114 9.194 -3.968 8.258 1.00 1.52 H new ATOM 0 HG LEU A 114 11.648 -2.479 7.333 1.00 1.02 H new ATOM 0 HD11 LEU A 114 12.457 -4.823 6.775 1.00 1.43 H new ATOM 0 HD12 LEU A 114 12.135 -4.641 8.516 1.00 1.43 H new ATOM 0 HD13 LEU A 114 10.958 -5.477 7.476 1.00 1.43 H new ATOM 0 HD21 LEU A 114 11.281 -3.490 5.130 1.00 2.12 H new ATOM 0 HD22 LEU A 114 9.732 -4.154 5.701 1.00 2.12 H new ATOM 0 HD23 LEU A 114 9.963 -2.392 5.603 1.00 2.12 H new ATOM 1700 N TYR A 115 10.410 0.053 8.983 1.00 1.15 N ATOM 1701 CA TYR A 115 11.308 1.195 8.925 1.00 1.23 C ATOM 1702 C TYR A 115 12.672 0.626 8.552 1.00 1.09 C ATOM 1703 O TYR A 115 13.590 0.562 9.367 1.00 1.20 O ATOM 1704 CB TYR A 115 11.257 1.893 10.295 1.00 1.50 C ATOM 1705 CG TYR A 115 12.171 3.086 10.523 1.00 2.15 C ATOM 1706 CD1 TYR A 115 11.672 4.391 10.343 1.00 3.28 C ATOM 1707 CD2 TYR A 115 13.400 2.905 11.189 1.00 3.04 C ATOM 1708 CE1 TYR A 115 12.400 5.495 10.820 1.00 4.21 C ATOM 1709 CE2 TYR A 115 14.167 4.014 11.581 1.00 4.00 C ATOM 1710 CZ TYR A 115 13.683 5.310 11.364 1.00 4.30 C ATOM 1711 OH TYR A 115 14.434 6.385 11.726 1.00 5.41 O ATOM 0 H TYR A 115 10.215 -0.235 9.942 1.00 1.15 H new ATOM 0 HA TYR A 115 11.045 1.953 8.187 1.00 1.23 H new ATOM 0 HB2 TYR A 115 10.231 2.221 10.465 1.00 1.50 H new ATOM 0 HB3 TYR A 115 11.484 1.148 11.058 1.00 1.50 H new ATOM 0 HD1 TYR A 115 10.729 4.543 9.838 1.00 3.28 H new ATOM 0 HD2 TYR A 115 13.754 1.907 11.399 1.00 3.04 H new ATOM 0 HE1 TYR A 115 11.973 6.486 10.768 1.00 4.21 H new ATOM 0 HE2 TYR A 115 15.129 3.868 12.049 1.00 4.00 H new ATOM 0 HH TYR A 115 15.180 6.489 11.099 1.00 5.41 H new ATOM 1721 N ASN A 116 12.721 0.114 7.316 1.00 0.98 N ATOM 1722 CA ASN A 116 13.809 -0.567 6.635 1.00 1.03 C ATOM 1723 C ASN A 116 14.289 -1.841 7.341 1.00 0.85 C ATOM 1724 O ASN A 116 14.297 -2.906 6.734 1.00 1.04 O ATOM 1725 CB ASN A 116 14.935 0.410 6.333 1.00 1.38 C ATOM 1726 CG ASN A 116 15.798 -0.120 5.201 1.00 2.21 C ATOM 1727 OD1 ASN A 116 16.827 -0.748 5.439 1.00 2.81 O ATOM 1728 ND2 ASN A 116 15.372 0.125 3.965 1.00 3.14 N ATOM 0 H ASN A 116 11.904 0.179 6.709 1.00 0.98 H new ATOM 0 HA ASN A 116 13.414 -0.931 5.687 1.00 1.03 H new ATOM 0 HB2 ASN A 116 14.521 1.381 6.061 1.00 1.38 H new ATOM 0 HB3 ASN A 116 15.544 0.562 7.224 1.00 1.38 H new ATOM 0 HD21 ASN A 116 15.906 -0.213 3.165 1.00 3.14 H new ATOM 0 HD22 ASN A 116 14.511 0.651 3.817 1.00 3.14 H new ATOM 1735 N GLN A 117 14.657 -1.743 8.622 1.00 0.73 N ATOM 1736 CA GLN A 117 14.870 -2.872 9.515 1.00 0.80 C ATOM 1737 C GLN A 117 13.718 -3.016 10.525 1.00 0.95 C ATOM 1738 O GLN A 117 13.301 -4.132 10.823 1.00 1.49 O ATOM 1739 CB GLN A 117 16.207 -2.720 10.254 1.00 0.97 C ATOM 1740 CG GLN A 117 17.389 -2.428 9.312 1.00 1.33 C ATOM 1741 CD GLN A 117 17.703 -0.935 9.205 1.00 1.38 C ATOM 1742 OE1 GLN A 117 17.872 -0.262 10.217 1.00 2.07 O ATOM 1743 NE2 GLN A 117 17.811 -0.391 7.997 1.00 2.02 N ATOM 0 H GLN A 117 14.819 -0.843 9.075 1.00 0.73 H new ATOM 0 HA GLN A 117 14.898 -3.777 8.908 1.00 0.80 H new ATOM 0 HB2 GLN A 117 16.123 -1.913 10.982 1.00 0.97 H new ATOM 0 HB3 GLN A 117 16.412 -3.633 10.812 1.00 0.97 H new ATOM 0 HG2 GLN A 117 18.273 -2.956 9.670 1.00 1.33 H new ATOM 0 HG3 GLN A 117 17.163 -2.820 8.320 1.00 1.33 H new ATOM 0 HE21 GLN A 117 17.668 -0.964 7.165 1.00 2.02 H new ATOM 0 HE22 GLN A 117 18.037 0.599 7.902 1.00 2.02 H new ATOM 1752 N ALA A 118 13.236 -1.911 11.111 1.00 1.00 N ATOM 1753 CA ALA A 118 12.382 -1.984 12.299 1.00 1.19 C ATOM 1754 C ALA A 118 10.896 -2.095 11.934 1.00 1.06 C ATOM 1755 O ALA A 118 10.269 -1.108 11.544 1.00 1.41 O ATOM 1756 CB ALA A 118 12.662 -0.796 13.224 1.00 1.43 C ATOM 0 H ALA A 118 13.423 -0.964 10.783 1.00 1.00 H new ATOM 0 HA ALA A 118 12.628 -2.898 12.839 1.00 1.19 H new ATOM 0 HB1 ALA A 118 12.021 -0.861 14.104 1.00 1.43 H new ATOM 0 HB2 ALA A 118 13.707 -0.814 13.534 1.00 1.43 H new ATOM 0 HB3 ALA A 118 12.457 0.134 12.694 1.00 1.43 H new ATOM 1762 N GLU A 119 10.312 -3.289 12.076 1.00 0.88 N ATOM 1763 CA GLU A 119 8.928 -3.542 11.697 1.00 0.89 C ATOM 1764 C GLU A 119 7.962 -3.027 12.762 1.00 0.87 C ATOM 1765 O GLU A 119 7.422 -3.812 13.534 1.00 1.34 O ATOM 1766 CB GLU A 119 8.727 -5.027 11.354 1.00 1.32 C ATOM 1767 CG GLU A 119 7.379 -5.244 10.644 1.00 1.58 C ATOM 1768 CD GLU A 119 7.203 -6.667 10.133 1.00 2.32 C ATOM 1769 OE1 GLU A 119 6.490 -6.809 9.115 1.00 2.97 O ATOM 1770 OE2 GLU A 119 7.774 -7.579 10.769 1.00 3.29 O ATOM 0 H GLU A 119 10.790 -4.105 12.458 1.00 0.88 H new ATOM 0 HA GLU A 119 8.698 -2.981 10.791 1.00 0.89 H new ATOM 0 HB2 GLU A 119 9.540 -5.371 10.714 1.00 1.32 H new ATOM 0 HB3 GLU A 119 8.764 -5.624 12.265 1.00 1.32 H new ATOM 0 HG2 GLU A 119 6.568 -5.008 11.333 1.00 1.58 H new ATOM 0 HG3 GLU A 119 7.298 -4.550 9.807 1.00 1.58 H new ATOM 1777 N LYS A 120 7.729 -1.706 12.794 1.00 0.63 N ATOM 1778 CA LYS A 120 6.631 -1.091 13.527 1.00 0.76 C ATOM 1779 C LYS A 120 5.892 -0.129 12.616 1.00 0.83 C ATOM 1780 O LYS A 120 5.899 1.092 12.788 1.00 1.17 O ATOM 1781 CB LYS A 120 7.109 -0.459 14.837 1.00 1.06 C ATOM 1782 CG LYS A 120 7.590 -1.517 15.835 1.00 1.50 C ATOM 1783 CD LYS A 120 6.543 -2.568 16.195 1.00 1.76 C ATOM 1784 CE LYS A 120 5.357 -2.019 16.989 1.00 2.71 C ATOM 1785 NZ LYS A 120 4.431 -3.101 17.386 1.00 3.25 N ATOM 0 H LYS A 120 8.313 -1.031 12.300 1.00 0.63 H new ATOM 0 HA LYS A 120 5.920 -1.858 13.832 1.00 0.76 H new ATOM 0 HB2 LYS A 120 7.919 0.240 14.629 1.00 1.06 H new ATOM 0 HB3 LYS A 120 6.297 0.117 15.281 1.00 1.06 H new ATOM 0 HG2 LYS A 120 8.464 -2.020 15.420 1.00 1.50 H new ATOM 0 HG3 LYS A 120 7.914 -1.017 16.748 1.00 1.50 H new ATOM 0 HD2 LYS A 120 6.172 -3.025 15.278 1.00 1.76 H new ATOM 0 HD3 LYS A 120 7.021 -3.358 16.775 1.00 1.76 H new ATOM 0 HE2 LYS A 120 5.719 -1.503 17.878 1.00 2.71 H new ATOM 0 HE3 LYS A 120 4.823 -1.283 16.388 1.00 2.71 H new ATOM 0 HZ1 LYS A 120 3.637 -2.698 17.923 1.00 3.25 H new ATOM 0 HZ2 LYS A 120 4.068 -3.577 16.535 1.00 3.25 H new ATOM 0 HZ3 LYS A 120 4.936 -3.790 17.979 1.00 3.25 H new ATOM 1799 N GLY A 121 5.214 -0.735 11.651 1.00 0.63 N ATOM 1800 CA GLY A 121 4.144 -0.095 10.914 1.00 0.63 C ATOM 1801 C GLY A 121 3.237 -1.139 10.272 1.00 0.52 C ATOM 1802 O GLY A 121 3.612 -2.307 10.153 1.00 0.55 O ATOM 0 H GLY A 121 5.397 -1.695 11.358 1.00 0.63 H new ATOM 0 HA2 GLY A 121 3.562 0.538 11.583 1.00 0.63 H new ATOM 0 HA3 GLY A 121 4.562 0.554 10.145 1.00 0.63 H new ATOM 1806 N SER A 122 2.048 -0.719 9.851 1.00 0.69 N ATOM 1807 CA SER A 122 1.083 -1.552 9.162 1.00 0.67 C ATOM 1808 C SER A 122 0.281 -0.702 8.184 1.00 0.56 C ATOM 1809 O SER A 122 0.218 0.520 8.327 1.00 0.66 O ATOM 1810 CB SER A 122 0.200 -2.253 10.193 1.00 0.76 C ATOM 1811 OG SER A 122 -0.448 -1.310 11.026 1.00 0.83 O ATOM 0 H SER A 122 1.725 0.239 9.986 1.00 0.69 H new ATOM 0 HA SER A 122 1.585 -2.324 8.579 1.00 0.67 H new ATOM 0 HB2 SER A 122 -0.543 -2.867 9.684 1.00 0.76 H new ATOM 0 HB3 SER A 122 0.806 -2.925 10.800 1.00 0.76 H new ATOM 0 HG SER A 122 -1.009 -1.780 11.677 1.00 0.83 H new ATOM 1817 N TYR A 123 -0.298 -1.338 7.165 1.00 0.56 N ATOM 1818 CA TYR A 123 -1.001 -0.639 6.106 1.00 0.59 C ATOM 1819 C TYR A 123 -2.158 -1.510 5.617 1.00 0.62 C ATOM 1820 O TYR A 123 -2.025 -2.732 5.531 1.00 0.84 O ATOM 1821 CB TYR A 123 0.010 -0.269 5.005 1.00 0.78 C ATOM 1822 CG TYR A 123 -0.372 -0.552 3.563 1.00 0.76 C ATOM 1823 CD1 TYR A 123 -0.345 -1.880 3.092 1.00 2.19 C ATOM 1824 CD2 TYR A 123 -0.474 0.507 2.642 1.00 2.08 C ATOM 1825 CE1 TYR A 123 -0.369 -2.144 1.716 1.00 2.54 C ATOM 1826 CE2 TYR A 123 -0.458 0.243 1.263 1.00 2.22 C ATOM 1827 CZ TYR A 123 -0.379 -1.078 0.803 1.00 1.68 C ATOM 1828 OH TYR A 123 -0.373 -1.326 -0.533 1.00 2.21 O ATOM 0 H TYR A 123 -0.289 -2.352 7.057 1.00 0.56 H new ATOM 0 HA TYR A 123 -1.443 0.294 6.456 1.00 0.59 H new ATOM 0 HB2 TYR A 123 0.223 0.797 5.091 1.00 0.78 H new ATOM 0 HB3 TYR A 123 0.940 -0.798 5.214 1.00 0.78 H new ATOM 0 HD1 TYR A 123 -0.306 -2.699 3.795 1.00 2.19 H new ATOM 0 HD2 TYR A 123 -0.565 1.523 2.996 1.00 2.08 H new ATOM 0 HE1 TYR A 123 -0.380 -3.163 1.360 1.00 2.54 H new ATOM 0 HE2 TYR A 123 -0.507 1.059 0.557 1.00 2.22 H new ATOM 0 HH TYR A 123 -0.521 -2.282 -0.689 1.00 2.21 H new ATOM 1838 N SER A 124 -3.288 -0.876 5.301 1.00 0.58 N ATOM 1839 CA SER A 124 -4.495 -1.532 4.835 1.00 0.73 C ATOM 1840 C SER A 124 -4.958 -0.814 3.574 1.00 0.73 C ATOM 1841 O SER A 124 -5.268 0.378 3.648 1.00 0.88 O ATOM 1842 CB SER A 124 -5.561 -1.474 5.933 1.00 0.95 C ATOM 1843 OG SER A 124 -5.758 -0.130 6.337 1.00 1.49 O ATOM 0 H SER A 124 -3.384 0.137 5.367 1.00 0.58 H new ATOM 0 HA SER A 124 -4.312 -2.582 4.605 1.00 0.73 H new ATOM 0 HB2 SER A 124 -6.497 -1.895 5.567 1.00 0.95 H new ATOM 0 HB3 SER A 124 -5.252 -2.079 6.786 1.00 0.95 H new ATOM 0 HG SER A 124 -5.561 0.469 5.587 1.00 1.49 H new ATOM 1849 N LEU A 125 -4.964 -1.514 2.434 1.00 0.73 N ATOM 1850 CA LEU A 125 -5.049 -0.892 1.118 1.00 0.70 C ATOM 1851 C LEU A 125 -6.110 -1.556 0.239 1.00 0.75 C ATOM 1852 O LEU A 125 -6.171 -2.776 0.117 1.00 0.91 O ATOM 1853 CB LEU A 125 -3.645 -0.903 0.517 1.00 0.67 C ATOM 1854 CG LEU A 125 -3.456 -0.297 -0.879 1.00 0.63 C ATOM 1855 CD1 LEU A 125 -3.595 -1.340 -1.984 1.00 0.83 C ATOM 1856 CD2 LEU A 125 -4.267 0.957 -1.182 1.00 0.70 C ATOM 0 H LEU A 125 -4.910 -2.532 2.404 1.00 0.73 H new ATOM 0 HA LEU A 125 -5.387 0.141 1.196 1.00 0.70 H new ATOM 0 HB2 LEU A 125 -2.984 -0.374 1.203 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -3.305 -1.938 0.481 1.00 0.67 H new ATOM 0 HG LEU A 125 -2.425 0.056 -0.861 1.00 0.63 H new ATOM 0 HD11 LEU A 125 -3.453 -0.863 -2.954 1.00 0.83 H new ATOM 0 HD12 LEU A 125 -2.843 -2.117 -1.848 1.00 0.83 H new ATOM 0 HD13 LEU A 125 -4.589 -1.786 -1.941 1.00 0.83 H new ATOM 0 HD21 LEU A 125 -4.051 1.294 -2.196 1.00 0.70 H new ATOM 0 HD22 LEU A 125 -5.330 0.733 -1.092 1.00 0.70 H new ATOM 0 HD23 LEU A 125 -4.001 1.742 -0.475 1.00 0.70 H new ATOM 1868 N GLY A 126 -6.950 -0.717 -0.357 1.00 0.66 N ATOM 1869 CA GLY A 126 -8.189 -1.031 -1.053 1.00 0.60 C ATOM 1870 C GLY A 126 -7.986 -1.308 -2.538 1.00 1.11 C ATOM 1871 O GLY A 126 -6.860 -1.358 -3.045 1.00 2.20 O ATOM 0 H GLY A 126 -6.764 0.286 -0.365 1.00 0.66 H new ATOM 0 HA2 GLY A 126 -8.650 -1.902 -0.587 1.00 0.60 H new ATOM 0 HA3 GLY A 126 -8.885 -0.200 -0.936 1.00 0.60 H new ATOM 1875 N ILE A 127 -9.088 -1.576 -3.241 1.00 0.89 N ATOM 1876 CA ILE A 127 -9.129 -1.476 -4.694 1.00 1.06 C ATOM 1877 C ILE A 127 -10.453 -0.811 -5.087 1.00 0.95 C ATOM 1878 O ILE A 127 -11.510 -1.202 -4.587 1.00 1.03 O ATOM 1879 CB ILE A 127 -8.908 -2.876 -5.302 1.00 1.41 C ATOM 1880 CG1 ILE A 127 -8.262 -2.889 -6.698 1.00 1.63 C ATOM 1881 CG2 ILE A 127 -10.171 -3.734 -5.266 1.00 1.75 C ATOM 1882 CD1 ILE A 127 -9.229 -2.631 -7.853 1.00 2.29 C ATOM 0 H ILE A 127 -9.970 -1.866 -2.819 1.00 0.89 H new ATOM 0 HA ILE A 127 -8.331 -0.850 -5.094 1.00 1.06 H new ATOM 0 HB ILE A 127 -8.168 -3.330 -4.643 1.00 1.41 H new ATOM 0 HG12 ILE A 127 -7.475 -2.135 -6.726 1.00 1.63 H new ATOM 0 HG13 ILE A 127 -7.783 -3.856 -6.852 1.00 1.63 H new ATOM 0 HG21 ILE A 127 -9.961 -4.709 -5.706 1.00 1.75 H new ATOM 0 HG22 ILE A 127 -10.493 -3.864 -4.233 1.00 1.75 H new ATOM 0 HG23 ILE A 127 -10.961 -3.242 -5.834 1.00 1.75 H new ATOM 0 HD11 ILE A 127 -8.684 -2.659 -8.797 1.00 2.29 H new ATOM 0 HD12 ILE A 127 -10.003 -3.398 -7.858 1.00 2.29 H new ATOM 0 HD13 ILE A 127 -9.690 -1.651 -7.729 1.00 2.29 H new ATOM 1894 N PHE A 128 -10.418 0.202 -5.957 1.00 0.89 N ATOM 1895 CA PHE A 128 -11.630 0.726 -6.575 1.00 0.94 C ATOM 1896 C PHE A 128 -12.086 -0.302 -7.618 1.00 1.86 C ATOM 1897 O PHE A 128 -11.745 -0.191 -8.801 1.00 2.26 O ATOM 1898 CB PHE A 128 -11.350 2.116 -7.165 1.00 1.98 C ATOM 1899 CG PHE A 128 -12.547 3.002 -7.480 1.00 2.74 C ATOM 1900 CD1 PHE A 128 -13.799 2.472 -7.859 1.00 3.58 C ATOM 1901 CD2 PHE A 128 -12.397 4.400 -7.375 1.00 3.84 C ATOM 1902 CE1 PHE A 128 -14.887 3.329 -8.102 1.00 4.50 C ATOM 1903 CE2 PHE A 128 -13.481 5.255 -7.628 1.00 4.92 C ATOM 1904 CZ PHE A 128 -14.730 4.720 -7.985 1.00 4.95 C ATOM 0 H PHE A 128 -9.561 0.673 -6.247 1.00 0.89 H new ATOM 0 HA PHE A 128 -12.436 0.866 -5.855 1.00 0.94 H new ATOM 0 HB2 PHE A 128 -10.708 2.654 -6.467 1.00 1.98 H new ATOM 0 HB3 PHE A 128 -10.780 1.982 -8.084 1.00 1.98 H new ATOM 0 HD1 PHE A 128 -13.922 1.404 -7.963 1.00 3.58 H new ATOM 0 HD2 PHE A 128 -11.440 4.816 -7.098 1.00 3.84 H new ATOM 0 HE1 PHE A 128 -15.846 2.917 -8.379 1.00 4.50 H new ATOM 0 HE2 PHE A 128 -13.355 6.325 -7.548 1.00 4.92 H new ATOM 0 HZ PHE A 128 -15.567 5.377 -8.169 1.00 4.95 H new ATOM 1914 N GLY A 129 -12.821 -1.320 -7.152 1.00 2.80 N ATOM 1915 CA GLY A 129 -13.250 -2.474 -7.933 1.00 4.16 C ATOM 1916 C GLY A 129 -14.274 -2.100 -9.002 1.00 3.16 C ATOM 1917 O GLY A 129 -15.451 -2.433 -8.889 1.00 4.09 O ATOM 0 H GLY A 129 -13.142 -1.358 -6.185 1.00 2.80 H new ATOM 0 HA2 GLY A 129 -12.382 -2.932 -8.408 1.00 4.16 H new ATOM 0 HA3 GLY A 129 -13.680 -3.222 -7.267 1.00 4.16 H new ATOM 1921 N GLY A 130 -13.812 -1.396 -10.032 1.00 1.75 N ATOM 1922 CA GLY A 130 -14.560 -1.126 -11.247 1.00 1.71 C ATOM 1923 C GLY A 130 -13.577 -0.876 -12.385 1.00 1.74 C ATOM 1924 O GLY A 130 -13.756 -1.369 -13.499 1.00 2.68 O ATOM 0 H GLY A 130 -12.878 -0.987 -10.040 1.00 1.75 H new ATOM 0 HA2 GLY A 130 -15.208 -1.969 -11.486 1.00 1.71 H new ATOM 0 HA3 GLY A 130 -15.205 -0.258 -11.108 1.00 1.71 H new ATOM 1928 N LYS A 131 -12.540 -0.077 -12.101 1.00 1.44 N ATOM 1929 CA LYS A 131 -11.483 0.226 -13.056 1.00 1.79 C ATOM 1930 C LYS A 131 -10.143 0.486 -12.340 1.00 1.57 C ATOM 1931 O LYS A 131 -9.254 1.112 -12.909 1.00 1.99 O ATOM 1932 CB LYS A 131 -11.985 1.372 -13.958 1.00 2.54 C ATOM 1933 CG LYS A 131 -11.113 1.695 -15.178 1.00 1.84 C ATOM 1934 CD LYS A 131 -11.857 2.686 -16.083 1.00 2.42 C ATOM 1935 CE LYS A 131 -10.996 3.069 -17.294 1.00 2.65 C ATOM 1936 NZ LYS A 131 -11.688 4.021 -18.188 1.00 3.49 N ATOM 0 H LYS A 131 -12.416 0.376 -11.196 1.00 1.44 H new ATOM 0 HA LYS A 131 -11.263 -0.624 -13.703 1.00 1.79 H new ATOM 0 HB2 LYS A 131 -12.987 1.121 -14.308 1.00 2.54 H new ATOM 0 HB3 LYS A 131 -12.075 2.273 -13.351 1.00 2.54 H new ATOM 0 HG2 LYS A 131 -10.162 2.120 -14.858 1.00 1.84 H new ATOM 0 HG3 LYS A 131 -10.885 0.782 -15.729 1.00 1.84 H new ATOM 0 HD2 LYS A 131 -12.794 2.243 -16.422 1.00 2.42 H new ATOM 0 HD3 LYS A 131 -12.114 3.581 -15.516 1.00 2.42 H new ATOM 0 HE2 LYS A 131 -10.061 3.510 -16.949 1.00 2.65 H new ATOM 0 HE3 LYS A 131 -10.737 2.170 -17.853 1.00 2.65 H new ATOM 0 HZ1 LYS A 131 -11.071 4.253 -18.993 1.00 3.49 H new ATOM 0 HZ2 LYS A 131 -12.568 3.591 -18.539 1.00 3.49 H new ATOM 0 HZ3 LYS A 131 -11.913 4.890 -17.663 1.00 3.49 H new ATOM 1950 N ALA A 132 -9.980 0.007 -11.095 1.00 1.10 N ATOM 1951 CA ALA A 132 -8.714 0.020 -10.355 1.00 0.89 C ATOM 1952 C ALA A 132 -8.186 1.427 -10.105 1.00 1.17 C ATOM 1953 O ALA A 132 -6.991 1.617 -9.909 1.00 2.04 O ATOM 1954 CB ALA A 132 -7.653 -0.818 -11.077 1.00 1.11 C ATOM 0 H ALA A 132 -10.746 -0.409 -10.566 1.00 1.10 H new ATOM 0 HA ALA A 132 -8.925 -0.422 -9.381 1.00 0.89 H new ATOM 0 HB1 ALA A 132 -6.722 -0.794 -10.510 1.00 1.11 H new ATOM 0 HB2 ALA A 132 -7.999 -1.848 -11.163 1.00 1.11 H new ATOM 0 HB3 ALA A 132 -7.482 -0.409 -12.073 1.00 1.11 H new ATOM 1960 N GLN A 133 -9.085 2.410 -10.113 1.00 0.85 N ATOM 1961 CA GLN A 133 -8.740 3.788 -10.387 1.00 0.89 C ATOM 1962 C GLN A 133 -7.825 4.325 -9.298 1.00 0.85 C ATOM 1963 O GLN A 133 -6.788 4.930 -9.585 1.00 1.01 O ATOM 1964 CB GLN A 133 -10.023 4.621 -10.497 1.00 1.17 C ATOM 1965 CG GLN A 133 -10.805 4.228 -11.757 1.00 1.23 C ATOM 1966 CD GLN A 133 -12.295 4.518 -11.637 1.00 2.24 C ATOM 1967 OE1 GLN A 133 -12.836 5.338 -12.370 1.00 2.47 O ATOM 1968 NE2 GLN A 133 -12.975 3.818 -10.735 1.00 3.44 N ATOM 0 H GLN A 133 -10.077 2.263 -9.927 1.00 0.85 H new ATOM 0 HA GLN A 133 -8.203 3.852 -11.333 1.00 0.89 H new ATOM 0 HB2 GLN A 133 -10.642 4.467 -9.613 1.00 1.17 H new ATOM 0 HB3 GLN A 133 -9.775 5.682 -10.531 1.00 1.17 H new ATOM 0 HG2 GLN A 133 -10.402 4.768 -12.613 1.00 1.23 H new ATOM 0 HG3 GLN A 133 -10.660 3.166 -11.953 1.00 1.23 H new ATOM 0 HE21 GLN A 133 -12.491 3.144 -10.142 1.00 3.44 H new ATOM 0 HE22 GLN A 133 -13.981 3.955 -10.636 1.00 3.44 H new ATOM 1977 N GLU A 134 -8.245 4.094 -8.052 1.00 0.83 N ATOM 1978 CA GLU A 134 -7.657 4.698 -6.880 1.00 0.89 C ATOM 1979 C GLU A 134 -7.624 3.633 -5.791 1.00 0.87 C ATOM 1980 O GLU A 134 -8.641 3.328 -5.169 1.00 1.45 O ATOM 1981 CB GLU A 134 -8.457 5.946 -6.470 1.00 1.05 C ATOM 1982 CG GLU A 134 -8.615 6.929 -7.647 1.00 1.18 C ATOM 1983 CD GLU A 134 -9.047 8.327 -7.223 1.00 1.69 C ATOM 1984 OE1 GLU A 134 -9.753 8.418 -6.196 1.00 2.15 O ATOM 1985 OE2 GLU A 134 -8.683 9.278 -7.953 1.00 2.63 O ATOM 0 H GLU A 134 -9.020 3.467 -7.838 1.00 0.83 H new ATOM 0 HA GLU A 134 -6.640 5.041 -7.070 1.00 0.89 H new ATOM 0 HB2 GLU A 134 -9.441 5.646 -6.111 1.00 1.05 H new ATOM 0 HB3 GLU A 134 -7.954 6.446 -5.642 1.00 1.05 H new ATOM 0 HG2 GLU A 134 -7.667 6.997 -8.181 1.00 1.18 H new ATOM 0 HG3 GLU A 134 -9.348 6.529 -8.348 1.00 1.18 H new ATOM 1992 N VAL A 135 -6.447 3.054 -5.559 1.00 0.90 N ATOM 1993 CA VAL A 135 -6.241 2.156 -4.443 1.00 0.93 C ATOM 1994 C VAL A 135 -6.119 3.023 -3.186 1.00 1.05 C ATOM 1995 O VAL A 135 -5.034 3.388 -2.746 1.00 1.87 O ATOM 1996 CB VAL A 135 -5.057 1.200 -4.714 1.00 0.99 C ATOM 1997 CG1 VAL A 135 -5.357 0.353 -5.956 1.00 1.11 C ATOM 1998 CG2 VAL A 135 -3.679 1.838 -4.942 1.00 1.24 C ATOM 0 H VAL A 135 -5.620 3.198 -6.139 1.00 0.90 H new ATOM 0 HA VAL A 135 -7.081 1.478 -4.293 1.00 0.93 H new ATOM 0 HB VAL A 135 -4.981 0.631 -3.788 1.00 0.99 H new ATOM 0 HG11 VAL A 135 -4.522 -0.321 -6.147 1.00 1.11 H new ATOM 0 HG12 VAL A 135 -6.263 -0.230 -5.789 1.00 1.11 H new ATOM 0 HG13 VAL A 135 -5.500 1.007 -6.816 1.00 1.11 H new ATOM 0 HG21 VAL A 135 -2.941 1.056 -5.120 1.00 1.24 H new ATOM 0 HG22 VAL A 135 -3.723 2.499 -5.807 1.00 1.24 H new ATOM 0 HG23 VAL A 135 -3.394 2.412 -4.061 1.00 1.24 H new ATOM 2008 N ALA A 136 -7.265 3.386 -2.611 1.00 0.64 N ATOM 2009 CA ALA A 136 -7.295 4.171 -1.386 1.00 0.72 C ATOM 2010 C ALA A 136 -6.967 3.241 -0.217 1.00 0.73 C ATOM 2011 O ALA A 136 -7.252 2.043 -0.277 1.00 0.82 O ATOM 2012 CB ALA A 136 -8.678 4.804 -1.216 1.00 0.85 C ATOM 0 H ALA A 136 -8.186 3.146 -2.978 1.00 0.64 H new ATOM 0 HA ALA A 136 -6.561 4.976 -1.423 1.00 0.72 H new ATOM 0 HB1 ALA A 136 -8.699 5.392 -0.298 1.00 0.85 H new ATOM 0 HB2 ALA A 136 -8.889 5.452 -2.067 1.00 0.85 H new ATOM 0 HB3 ALA A 136 -9.433 4.020 -1.162 1.00 0.85 H new ATOM 2018 N GLY A 137 -6.317 3.763 0.822 1.00 0.73 N ATOM 2019 CA GLY A 137 -5.843 2.961 1.935 1.00 0.80 C ATOM 2020 C GLY A 137 -5.681 3.811 3.183 1.00 0.96 C ATOM 2021 O GLY A 137 -5.890 5.022 3.148 1.00 1.11 O ATOM 0 H GLY A 137 -6.107 4.757 0.910 1.00 0.73 H new ATOM 0 HA2 GLY A 137 -6.546 2.151 2.130 1.00 0.80 H new ATOM 0 HA3 GLY A 137 -4.889 2.501 1.677 1.00 0.80 H new ATOM 2025 N SER A 138 -5.290 3.161 4.278 1.00 1.02 N ATOM 2026 CA SER A 138 -4.741 3.813 5.455 1.00 1.19 C ATOM 2027 C SER A 138 -3.395 3.149 5.733 1.00 0.83 C ATOM 2028 O SER A 138 -3.239 1.959 5.453 1.00 0.79 O ATOM 2029 CB SER A 138 -5.702 3.646 6.635 1.00 1.63 C ATOM 2030 OG SER A 138 -5.242 4.406 7.737 1.00 2.25 O ATOM 0 H SER A 138 -5.349 2.147 4.369 1.00 1.02 H new ATOM 0 HA SER A 138 -4.608 4.884 5.301 1.00 1.19 H new ATOM 0 HB2 SER A 138 -6.703 3.970 6.350 1.00 1.63 H new ATOM 0 HB3 SER A 138 -5.774 2.594 6.911 1.00 1.63 H new ATOM 0 HG SER A 138 -5.860 4.298 8.490 1.00 2.25 H new ATOM 2036 N ALA A 139 -2.427 3.904 6.258 1.00 0.97 N ATOM 2037 CA ALA A 139 -1.154 3.364 6.698 1.00 0.76 C ATOM 2038 C ALA A 139 -0.711 4.053 7.982 1.00 0.63 C ATOM 2039 O ALA A 139 -0.883 5.264 8.110 1.00 0.72 O ATOM 2040 CB ALA A 139 -0.114 3.500 5.587 1.00 1.18 C ATOM 0 H ALA A 139 -2.512 4.912 6.387 1.00 0.97 H new ATOM 0 HA ALA A 139 -1.264 2.302 6.916 1.00 0.76 H new ATOM 0 HB1 ALA A 139 0.838 3.092 5.927 1.00 1.18 H new ATOM 0 HB2 ALA A 139 -0.449 2.953 4.706 1.00 1.18 H new ATOM 0 HB3 ALA A 139 0.013 4.553 5.334 1.00 1.18 H new ATOM 2046 N GLU A 140 -0.155 3.265 8.910 1.00 0.63 N ATOM 2047 CA GLU A 140 0.491 3.747 10.132 1.00 0.73 C ATOM 2048 C GLU A 140 1.930 3.235 10.182 1.00 0.83 C ATOM 2049 O GLU A 140 2.166 2.047 9.969 1.00 1.30 O ATOM 2050 CB GLU A 140 -0.304 3.372 11.403 1.00 0.84 C ATOM 2051 CG GLU A 140 0.517 3.670 12.684 1.00 2.11 C ATOM 2052 CD GLU A 140 -0.272 3.968 13.957 1.00 2.40 C ATOM 2053 OE1 GLU A 140 -1.415 4.466 13.861 1.00 2.79 O ATOM 2054 OE2 GLU A 140 0.323 3.865 15.062 1.00 3.25 O ATOM 0 H GLU A 140 -0.143 2.248 8.828 1.00 0.63 H new ATOM 0 HA GLU A 140 0.508 4.837 10.107 1.00 0.73 H new ATOM 0 HB2 GLU A 140 -1.239 3.931 11.429 1.00 0.84 H new ATOM 0 HB3 GLU A 140 -0.566 2.314 11.373 1.00 0.84 H new ATOM 0 HG2 GLU A 140 1.164 2.815 12.879 1.00 2.11 H new ATOM 0 HG3 GLU A 140 1.166 4.521 12.480 1.00 2.11 H new ATOM 2061 N VAL A 141 2.886 4.113 10.503 1.00 0.70 N ATOM 2062 CA VAL A 141 4.239 3.730 10.872 1.00 0.72 C ATOM 2063 C VAL A 141 4.545 4.468 12.169 1.00 0.77 C ATOM 2064 O VAL A 141 3.990 5.538 12.411 1.00 1.23 O ATOM 2065 CB VAL A 141 5.233 4.063 9.744 1.00 0.89 C ATOM 2066 CG1 VAL A 141 6.638 3.528 10.060 1.00 2.09 C ATOM 2067 CG2 VAL A 141 4.770 3.441 8.422 1.00 1.68 C ATOM 0 H VAL A 141 2.733 5.121 10.512 1.00 0.70 H new ATOM 0 HA VAL A 141 4.333 2.655 11.022 1.00 0.72 H new ATOM 0 HB VAL A 141 5.270 5.149 9.659 1.00 0.89 H new ATOM 0 HG11 VAL A 141 7.315 3.780 9.244 1.00 2.09 H new ATOM 0 HG12 VAL A 141 7.000 3.979 10.984 1.00 2.09 H new ATOM 0 HG13 VAL A 141 6.597 2.445 10.177 1.00 2.09 H new ATOM 0 HG21 VAL A 141 5.483 3.686 7.635 1.00 1.68 H new ATOM 0 HG22 VAL A 141 4.708 2.358 8.531 1.00 1.68 H new ATOM 0 HG23 VAL A 141 3.789 3.836 8.158 1.00 1.68 H new ATOM 2077 N LYS A 142 5.374 3.889 13.037 1.00 0.72 N ATOM 2078 CA LYS A 142 5.678 4.487 14.323 1.00 0.80 C ATOM 2079 C LYS A 142 7.066 4.041 14.775 1.00 0.96 C ATOM 2080 O LYS A 142 7.266 2.886 15.144 1.00 1.18 O ATOM 2081 CB LYS A 142 4.567 4.161 15.334 1.00 0.89 C ATOM 2082 CG LYS A 142 4.499 2.654 15.639 1.00 1.05 C ATOM 2083 CD LYS A 142 3.106 2.109 15.984 1.00 1.39 C ATOM 2084 CE LYS A 142 2.635 2.453 17.402 1.00 2.39 C ATOM 2085 NZ LYS A 142 2.356 3.893 17.533 1.00 3.24 N ATOM 0 H LYS A 142 5.846 3.001 12.865 1.00 0.72 H new ATOM 0 HA LYS A 142 5.705 5.574 14.243 1.00 0.80 H new ATOM 0 HB2 LYS A 142 4.743 4.712 16.258 1.00 0.89 H new ATOM 0 HB3 LYS A 142 3.607 4.496 14.941 1.00 0.89 H new ATOM 0 HG2 LYS A 142 4.879 2.109 14.775 1.00 1.05 H new ATOM 0 HG3 LYS A 142 5.170 2.439 16.471 1.00 1.05 H new ATOM 0 HD2 LYS A 142 2.385 2.503 15.267 1.00 1.39 H new ATOM 0 HD3 LYS A 142 3.112 1.025 15.867 1.00 1.39 H new ATOM 0 HE2 LYS A 142 1.737 1.882 17.639 1.00 2.39 H new ATOM 0 HE3 LYS A 142 3.398 2.160 18.123 1.00 2.39 H new ATOM 0 HZ1 LYS A 142 1.657 4.044 18.288 1.00 3.24 H new ATOM 0 HZ2 LYS A 142 3.235 4.397 17.769 1.00 3.24 H new ATOM 0 HZ3 LYS A 142 1.979 4.257 16.635 1.00 3.24 H new ATOM 2099 N THR A 143 8.023 4.962 14.756 1.00 1.10 N ATOM 2100 CA THR A 143 9.315 4.760 15.403 1.00 1.37 C ATOM 2101 C THR A 143 9.634 6.042 16.173 1.00 1.42 C ATOM 2102 O THR A 143 8.753 6.885 16.349 1.00 1.47 O ATOM 2103 CB THR A 143 10.403 4.409 14.373 1.00 1.60 C ATOM 2104 OG1 THR A 143 10.763 5.551 13.622 1.00 2.30 O ATOM 2105 CG2 THR A 143 9.974 3.275 13.439 1.00 1.86 C ATOM 0 H THR A 143 7.926 5.866 14.294 1.00 1.10 H new ATOM 0 HA THR A 143 9.281 3.915 16.091 1.00 1.37 H new ATOM 0 HB THR A 143 11.271 4.059 14.932 1.00 1.60 H new ATOM 0 HG1 THR A 143 11.251 5.274 12.819 1.00 2.30 H new ATOM 0 HG21 THR A 143 10.775 3.064 12.731 1.00 1.86 H new ATOM 0 HG22 THR A 143 9.763 2.381 14.025 1.00 1.86 H new ATOM 0 HG23 THR A 143 9.077 3.571 12.895 1.00 1.86 H new ATOM 2113 N VAL A 144 10.905 6.245 16.534 1.00 1.48 N ATOM 2114 CA VAL A 144 11.424 7.542 16.950 1.00 1.52 C ATOM 2115 C VAL A 144 11.022 8.633 15.945 1.00 1.47 C ATOM 2116 O VAL A 144 10.822 9.780 16.332 1.00 1.55 O ATOM 2117 CB VAL A 144 12.956 7.450 17.103 1.00 1.67 C ATOM 2118 CG1 VAL A 144 13.575 8.800 17.494 1.00 2.28 C ATOM 2119 CG2 VAL A 144 13.339 6.417 18.174 1.00 2.06 C ATOM 0 H VAL A 144 11.605 5.503 16.544 1.00 1.48 H new ATOM 0 HA VAL A 144 10.993 7.817 17.913 1.00 1.52 H new ATOM 0 HB VAL A 144 13.345 7.146 16.131 1.00 1.67 H new ATOM 0 HG11 VAL A 144 14.655 8.690 17.591 1.00 2.28 H new ATOM 0 HG12 VAL A 144 13.353 9.539 16.724 1.00 2.28 H new ATOM 0 HG13 VAL A 144 13.157 9.130 18.445 1.00 2.28 H new ATOM 0 HG21 VAL A 144 14.424 6.371 18.263 1.00 2.06 H new ATOM 0 HG22 VAL A 144 12.908 6.709 19.132 1.00 2.06 H new ATOM 0 HG23 VAL A 144 12.956 5.437 17.888 1.00 2.06 H new ATOM 2129 N ASN A 145 10.903 8.284 14.657 1.00 1.41 N ATOM 2130 CA ASN A 145 10.417 9.204 13.631 1.00 1.39 C ATOM 2131 C ASN A 145 9.840 8.384 12.481 1.00 1.13 C ATOM 2132 O ASN A 145 10.231 8.508 11.325 1.00 1.29 O ATOM 2133 CB ASN A 145 11.493 10.219 13.189 1.00 1.87 C ATOM 2134 CG ASN A 145 12.625 9.623 12.358 1.00 1.64 C ATOM 2135 OD1 ASN A 145 12.951 10.124 11.285 1.00 2.58 O ATOM 2136 ND2 ASN A 145 13.246 8.560 12.859 1.00 1.61 N ATOM 0 H ASN A 145 11.141 7.358 14.302 1.00 1.41 H new ATOM 0 HA ASN A 145 9.622 9.826 14.043 1.00 1.39 H new ATOM 0 HB2 ASN A 145 11.013 11.009 12.611 1.00 1.87 H new ATOM 0 HB3 ASN A 145 11.919 10.687 14.077 1.00 1.87 H new ATOM 0 HD21 ASN A 145 14.020 8.134 12.349 1.00 1.61 H new ATOM 0 HD22 ASN A 145 12.949 8.170 13.753 1.00 1.61 H new ATOM 2143 N GLY A 146 8.856 7.557 12.829 1.00 0.97 N ATOM 2144 CA GLY A 146 8.060 6.788 11.893 1.00 0.99 C ATOM 2145 C GLY A 146 6.710 7.476 11.862 1.00 0.74 C ATOM 2146 O GLY A 146 6.120 7.694 12.919 1.00 0.75 O ATOM 0 H GLY A 146 8.588 7.404 13.801 1.00 0.97 H new ATOM 0 HA2 GLY A 146 8.518 6.775 10.904 1.00 0.99 H new ATOM 0 HA3 GLY A 146 7.966 5.751 12.215 1.00 0.99 H new ATOM 2150 N ILE A 147 6.272 7.901 10.681 1.00 0.72 N ATOM 2151 CA ILE A 147 5.134 8.790 10.568 1.00 0.73 C ATOM 2152 C ILE A 147 3.828 8.001 10.655 1.00 0.75 C ATOM 2153 O ILE A 147 3.588 7.074 9.886 1.00 1.31 O ATOM 2154 CB ILE A 147 5.200 9.658 9.291 1.00 0.90 C ATOM 2155 CG1 ILE A 147 5.683 8.876 8.061 1.00 1.45 C ATOM 2156 CG2 ILE A 147 5.999 10.944 9.538 1.00 1.52 C ATOM 2157 CD1 ILE A 147 7.186 8.982 7.774 1.00 1.27 C ATOM 0 H ILE A 147 6.693 7.640 9.789 1.00 0.72 H new ATOM 0 HA ILE A 147 5.166 9.482 11.410 1.00 0.73 H new ATOM 0 HB ILE A 147 4.180 9.957 9.051 1.00 0.90 H new ATOM 0 HG12 ILE A 147 5.427 7.825 8.194 1.00 1.45 H new ATOM 0 HG13 ILE A 147 5.136 9.229 7.187 1.00 1.45 H new ATOM 0 HG21 ILE A 147 6.029 11.535 8.623 1.00 1.52 H new ATOM 0 HG22 ILE A 147 5.521 11.523 10.328 1.00 1.52 H new ATOM 0 HG23 ILE A 147 7.015 10.689 9.839 1.00 1.52 H new ATOM 0 HD11 ILE A 147 7.429 8.397 6.887 1.00 1.27 H new ATOM 0 HD12 ILE A 147 7.451 10.025 7.604 1.00 1.27 H new ATOM 0 HD13 ILE A 147 7.747 8.599 8.627 1.00 1.27 H new ATOM 2169 N ARG A 148 2.982 8.405 11.600 1.00 0.70 N ATOM 2170 CA ARG A 148 1.674 7.821 11.828 1.00 0.87 C ATOM 2171 C ARG A 148 0.749 8.041 10.633 1.00 0.91 C ATOM 2172 O ARG A 148 0.549 7.145 9.826 1.00 1.26 O ATOM 2173 CB ARG A 148 1.042 8.423 13.085 1.00 1.32 C ATOM 2174 CG ARG A 148 1.678 7.942 14.391 1.00 2.03 C ATOM 2175 CD ARG A 148 0.940 8.608 15.573 1.00 2.64 C ATOM 2176 NE ARG A 148 -0.518 8.366 15.507 1.00 2.82 N ATOM 2177 CZ ARG A 148 -1.019 7.126 15.438 1.00 2.08 C ATOM 2178 NH1 ARG A 148 -0.397 6.151 16.095 1.00 2.77 N ATOM 2179 NH2 ARG A 148 -2.068 6.866 14.663 1.00 2.67 N ATOM 0 H ARG A 148 3.198 9.168 12.242 1.00 0.70 H new ATOM 0 HA ARG A 148 1.808 6.748 11.963 1.00 0.87 H new ATOM 0 HB2 ARG A 148 1.119 9.509 13.034 1.00 1.32 H new ATOM 0 HB3 ARG A 148 -0.020 8.179 13.098 1.00 1.32 H new ATOM 0 HG2 ARG A 148 1.612 6.857 14.467 1.00 2.03 H new ATOM 0 HG3 ARG A 148 2.737 8.199 14.413 1.00 2.03 H new ATOM 0 HD2 ARG A 148 1.332 8.220 16.513 1.00 2.64 H new ATOM 0 HD3 ARG A 148 1.133 9.681 15.566 1.00 2.64 H new ATOM 0 HE ARG A 148 -1.156 9.162 15.514 1.00 2.82 H new ATOM 0 HH11 ARG A 148 0.443 6.356 16.636 1.00 2.77 H new ATOM 0 HH12 ARG A 148 -0.760 5.198 16.057 1.00 2.77 H new ATOM 0 HH21 ARG A 148 -2.496 7.613 14.116 1.00 2.67 H new ATOM 0 HH22 ARG A 148 -2.445 5.919 14.615 1.00 2.67 H new ATOM 2193 N HIS A 149 0.113 9.209 10.556 1.00 0.85 N ATOM 2194 CA HIS A 149 -1.020 9.415 9.667 1.00 0.88 C ATOM 2195 C HIS A 149 -0.532 9.636 8.240 1.00 0.88 C ATOM 2196 O HIS A 149 -0.497 10.762 7.753 1.00 1.15 O ATOM 2197 CB HIS A 149 -1.902 10.544 10.213 1.00 0.98 C ATOM 2198 CG HIS A 149 -2.614 10.107 11.472 1.00 1.03 C ATOM 2199 ND1 HIS A 149 -3.804 9.415 11.510 1.00 2.20 N ATOM 2200 CD2 HIS A 149 -2.063 10.035 12.724 1.00 1.24 C ATOM 2201 CE1 HIS A 149 -3.964 8.946 12.759 1.00 2.01 C ATOM 2202 NE2 HIS A 149 -2.908 9.264 13.532 1.00 0.96 N ATOM 0 H HIS A 149 0.369 10.030 11.105 1.00 0.85 H new ATOM 0 HA HIS A 149 -1.649 8.526 9.630 1.00 0.88 H new ATOM 0 HB2 HIS A 149 -1.290 11.421 10.422 1.00 0.98 H new ATOM 0 HB3 HIS A 149 -2.633 10.837 9.460 1.00 0.98 H new ATOM 0 HD1 HIS A 149 -4.448 9.282 10.730 1.00 2.20 H new ATOM 0 HD2 HIS A 149 -1.136 10.494 13.035 1.00 1.24 H new ATOM 0 HE1 HIS A 149 -4.825 8.388 13.098 1.00 2.01 H new ATOM 2210 N ILE A 150 -0.153 8.544 7.579 1.00 0.72 N ATOM 2211 CA ILE A 150 0.271 8.571 6.193 1.00 0.65 C ATOM 2212 C ILE A 150 -0.985 8.646 5.322 1.00 0.84 C ATOM 2213 O ILE A 150 -1.849 7.768 5.379 1.00 1.08 O ATOM 2214 CB ILE A 150 1.122 7.330 5.875 1.00 0.66 C ATOM 2215 CG1 ILE A 150 2.370 7.284 6.773 1.00 0.92 C ATOM 2216 CG2 ILE A 150 1.523 7.291 4.393 1.00 1.08 C ATOM 2217 CD1 ILE A 150 3.342 6.160 6.404 1.00 1.22 C ATOM 0 H ILE A 150 -0.134 7.614 7.998 1.00 0.72 H new ATOM 0 HA ILE A 150 0.898 9.440 5.991 1.00 0.65 H new ATOM 0 HB ILE A 150 0.514 6.449 6.079 1.00 0.66 H new ATOM 0 HG12 ILE A 150 2.890 8.240 6.709 1.00 0.92 H new ATOM 0 HG13 ILE A 150 2.058 7.159 7.810 1.00 0.92 H new ATOM 0 HG21 ILE A 150 2.124 6.402 4.202 1.00 1.08 H new ATOM 0 HG22 ILE A 150 0.626 7.263 3.774 1.00 1.08 H new ATOM 0 HG23 ILE A 150 2.104 8.180 4.150 1.00 1.08 H new ATOM 0 HD11 ILE A 150 4.199 6.185 7.077 1.00 1.22 H new ATOM 0 HD12 ILE A 150 2.837 5.198 6.495 1.00 1.22 H new ATOM 0 HD13 ILE A 150 3.682 6.296 5.377 1.00 1.22 H new ATOM 2229 N GLY A 151 -1.079 9.685 4.496 1.00 0.90 N ATOM 2230 CA GLY A 151 -2.153 9.851 3.543 1.00 1.12 C ATOM 2231 C GLY A 151 -1.869 8.953 2.347 1.00 0.76 C ATOM 2232 O GLY A 151 -1.140 9.326 1.430 1.00 0.96 O ATOM 0 H GLY A 151 -0.396 10.443 4.476 1.00 0.90 H new ATOM 0 HA2 GLY A 151 -3.108 9.589 3.997 1.00 1.12 H new ATOM 0 HA3 GLY A 151 -2.225 10.892 3.228 1.00 1.12 H new ATOM 2236 N LEU A 152 -2.425 7.742 2.390 1.00 0.65 N ATOM 2237 CA LEU A 152 -2.276 6.736 1.353 1.00 0.76 C ATOM 2238 C LEU A 152 -3.249 7.049 0.212 1.00 0.61 C ATOM 2239 O LEU A 152 -4.371 6.541 0.187 1.00 0.59 O ATOM 2240 CB LEU A 152 -2.503 5.359 1.996 1.00 1.29 C ATOM 2241 CG LEU A 152 -1.968 4.155 1.207 1.00 1.00 C ATOM 2242 CD1 LEU A 152 -2.620 3.981 -0.168 1.00 1.00 C ATOM 2243 CD2 LEU A 152 -0.446 4.233 1.064 1.00 0.87 C ATOM 0 H LEU A 152 -3.005 7.431 3.169 1.00 0.65 H new ATOM 0 HA LEU A 152 -1.277 6.735 0.916 1.00 0.76 H new ATOM 0 HB2 LEU A 152 -2.038 5.359 2.982 1.00 1.29 H new ATOM 0 HB3 LEU A 152 -3.574 5.222 2.148 1.00 1.29 H new ATOM 0 HG LEU A 152 -2.237 3.274 1.790 1.00 1.00 H new ATOM 0 HD11 LEU A 152 -2.192 3.111 -0.666 1.00 1.00 H new ATOM 0 HD12 LEU A 152 -3.694 3.838 -0.046 1.00 1.00 H new ATOM 0 HD13 LEU A 152 -2.439 4.870 -0.772 1.00 1.00 H new ATOM 0 HD21 LEU A 152 -0.089 3.370 0.502 1.00 0.87 H new ATOM 0 HD22 LEU A 152 -0.177 5.147 0.535 1.00 0.87 H new ATOM 0 HD23 LEU A 152 0.013 4.237 2.053 1.00 0.87 H new ATOM 2255 N ALA A 153 -2.822 7.900 -0.727 1.00 0.76 N ATOM 2256 CA ALA A 153 -3.615 8.294 -1.886 1.00 0.85 C ATOM 2257 C ALA A 153 -3.149 7.533 -3.131 1.00 0.72 C ATOM 2258 O ALA A 153 -1.990 7.126 -3.221 1.00 1.00 O ATOM 2259 CB ALA A 153 -3.498 9.807 -2.082 1.00 1.18 C ATOM 0 H ALA A 153 -1.901 8.338 -0.699 1.00 0.76 H new ATOM 0 HA ALA A 153 -4.663 8.043 -1.720 1.00 0.85 H new ATOM 0 HB1 ALA A 153 -4.089 10.109 -2.947 1.00 1.18 H new ATOM 0 HB2 ALA A 153 -3.868 10.319 -1.194 1.00 1.18 H new ATOM 0 HB3 ALA A 153 -2.454 10.073 -2.245 1.00 1.18 H new ATOM 2265 N ALA A 154 -4.052 7.346 -4.101 1.00 0.88 N ATOM 2266 CA ALA A 154 -3.767 6.671 -5.355 1.00 0.93 C ATOM 2267 C ALA A 154 -4.511 7.338 -6.493 1.00 0.84 C ATOM 2268 O ALA A 154 -5.638 7.783 -6.300 1.00 1.06 O ATOM 2269 CB ALA A 154 -4.219 5.219 -5.269 1.00 1.59 C ATOM 0 H ALA A 154 -5.017 7.669 -4.027 1.00 0.88 H new ATOM 0 HA ALA A 154 -2.694 6.723 -5.539 1.00 0.93 H new ATOM 0 HB1 ALA A 154 -4.004 4.715 -6.211 1.00 1.59 H new ATOM 0 HB2 ALA A 154 -3.686 4.719 -4.460 1.00 1.59 H new ATOM 0 HB3 ALA A 154 -5.291 5.183 -5.074 1.00 1.59 H new ATOM 2275 N LYS A 155 -3.887 7.352 -7.672 1.00 0.81 N ATOM 2276 CA LYS A 155 -4.528 7.563 -8.955 1.00 0.83 C ATOM 2277 C LYS A 155 -3.792 6.707 -9.957 1.00 1.09 C ATOM 2278 O LYS A 155 -2.665 6.289 -9.685 1.00 1.87 O ATOM 2279 CB LYS A 155 -4.436 9.024 -9.408 1.00 1.16 C ATOM 2280 CG LYS A 155 -5.230 9.857 -8.417 1.00 1.83 C ATOM 2281 CD LYS A 155 -5.514 11.293 -8.864 1.00 1.94 C ATOM 2282 CE LYS A 155 -6.526 11.313 -10.020 1.00 2.44 C ATOM 2283 NZ LYS A 155 -7.066 12.666 -10.254 1.00 3.39 N ATOM 0 H LYS A 155 -2.880 7.210 -7.754 1.00 0.81 H new ATOM 0 HA LYS A 155 -5.584 7.306 -8.876 1.00 0.83 H new ATOM 0 HB2 LYS A 155 -3.397 9.352 -9.439 1.00 1.16 H new ATOM 0 HB3 LYS A 155 -4.837 9.140 -10.415 1.00 1.16 H new ATOM 0 HG2 LYS A 155 -6.179 9.358 -8.223 1.00 1.83 H new ATOM 0 HG3 LYS A 155 -4.687 9.887 -7.472 1.00 1.83 H new ATOM 0 HD2 LYS A 155 -5.902 11.870 -8.025 1.00 1.94 H new ATOM 0 HD3 LYS A 155 -4.586 11.771 -9.178 1.00 1.94 H new ATOM 0 HE2 LYS A 155 -6.046 10.951 -10.929 1.00 2.44 H new ATOM 0 HE3 LYS A 155 -7.345 10.629 -9.798 1.00 2.44 H new ATOM 0 HZ1 LYS A 155 -7.745 12.637 -11.041 1.00 3.39 H new ATOM 0 HZ2 LYS A 155 -7.546 13.001 -9.395 1.00 3.39 H new ATOM 0 HZ3 LYS A 155 -6.288 13.314 -10.491 1.00 3.39 H new ATOM 2297 N GLN A 156 -4.415 6.489 -11.112 1.00 0.99 N ATOM 2298 CA GLN A 156 -3.699 5.996 -12.257 1.00 1.24 C ATOM 2299 C GLN A 156 -2.593 6.984 -12.630 1.00 2.50 C ATOM 2300 O GLN A 156 -1.407 6.607 -12.536 1.00 3.80 O ATOM 2301 CB GLN A 156 -4.675 5.770 -13.419 1.00 2.14 C ATOM 2302 CG GLN A 156 -5.885 4.915 -13.024 1.00 2.55 C ATOM 2303 CD GLN A 156 -5.470 3.530 -12.574 1.00 2.63 C ATOM 2304 OE1 GLN A 156 -5.336 2.636 -13.400 1.00 3.86 O ATOM 2305 NE2 GLN A 156 -5.222 3.341 -11.286 1.00 2.35 N ATOM 0 H GLN A 156 -5.410 6.649 -11.267 1.00 0.99 H new ATOM 0 HA GLN A 156 -3.232 5.039 -12.024 1.00 1.24 H new ATOM 0 HB2 GLN A 156 -5.023 6.735 -13.787 1.00 2.14 H new ATOM 0 HB3 GLN A 156 -4.148 5.286 -14.241 1.00 2.14 H new ATOM 0 HG2 GLN A 156 -6.433 5.409 -12.222 1.00 2.55 H new ATOM 0 HG3 GLN A 156 -6.565 4.833 -13.872 1.00 2.55 H new ATOM 0 HE21 GLN A 156 -5.344 4.108 -10.625 1.00 2.35 H new ATOM 0 HE22 GLN A 156 -4.909 2.428 -10.956 1.00 2.35 H new