USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -154:sc= 1.28 USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= -13.5! C(o=-16!,f=-12!) USER MOD Set 2.1: A 69 THR OG1 : rot -78:sc= 1.13 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0294 USER MOD Set 2.3: A 73 GLN : amide:sc= -0.237 X(o=0.92,f=0.94) USER MOD Set 3.1: A 19 SER OG : rot 150:sc= -0.179 USER MOD Set 3.2: A 40 MET CE :methyl 165:sc= -2.92! (180deg=-2.86!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -58:sc= 1.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.132 F(o=-1.4,f=-0.13) USER MOD Single : A 15 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.011) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 25 SER OG : rot -171:sc= 0.556 USER MOD Single : A 26 THR OG1 : rot 13:sc= 1.26 USER MOD Single : A 28 THR OG1 : rot -65:sc= 1 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -148:sc= -0.032 (180deg=-0.649) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-3.7!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -2.04! C(o=-2!,f=-2.5!) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc=-0.00426 (180deg=-0.11) USER MOD Single : A 99 THR OG1 : rot -85:sc= 0.403 USER MOD Single : A 104 ASN : amide:sc=-8.48e-05 K(o=-8.5e-05,f=-2.6) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -24.057 -9.459 -4.473 1.00 0.00 N ATOM 2 CA SER A 1 -23.335 -10.752 -4.303 1.00 0.00 C ATOM 3 C SER A 1 -21.946 -10.487 -3.715 1.00 0.00 C ATOM 4 O SER A 1 -21.219 -9.641 -4.201 1.00 0.00 O ATOM 5 CB SER A 1 -23.192 -11.440 -5.661 1.00 0.00 C ATOM 6 OG SER A 1 -24.280 -12.334 -5.850 1.00 0.00 O ATOM 0 H1 SER A 1 -25.000 -9.638 -4.872 1.00 0.00 H new ATOM 0 H2 SER A 1 -24.155 -8.992 -3.549 1.00 0.00 H new ATOM 0 H3 SER A 1 -23.520 -8.843 -5.117 1.00 0.00 H new ATOM 0 HA SER A 1 -23.898 -11.397 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 1 -23.174 -10.697 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 1 -22.248 -11.982 -5.709 1.00 0.00 H new ATOM 0 HG SER A 1 -24.193 -12.776 -6.720 1.00 0.00 H new ATOM 14 N VAL A 2 -21.592 -11.211 -2.665 1.00 0.00 N ATOM 15 CA VAL A 2 -20.252 -11.060 -1.976 1.00 0.00 C ATOM 16 C VAL A 2 -20.293 -9.928 -0.936 1.00 0.00 C ATOM 17 O VAL A 2 -19.652 -10.024 0.098 1.00 0.00 O ATOM 18 CB VAL A 2 -19.119 -10.786 -2.980 1.00 0.00 C ATOM 19 CG1 VAL A 2 -17.771 -11.006 -2.294 1.00 0.00 C ATOM 20 CG2 VAL A 2 -19.244 -11.738 -4.173 1.00 0.00 C ATOM 0 H VAL A 2 -22.193 -11.920 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.049 -12.006 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.189 -9.757 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -16.966 -10.813 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -17.679 -10.327 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.705 -12.036 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.440 -11.541 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.176 -12.769 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.205 -11.583 -4.663 1.00 0.00 H new ATOM 30 N GLY A 3 -21.030 -8.863 -1.200 1.00 0.00 N ATOM 31 CA GLY A 3 -21.109 -7.723 -0.233 1.00 0.00 C ATOM 32 C GLY A 3 -20.139 -6.622 -0.665 1.00 0.00 C ATOM 33 O GLY A 3 -19.139 -6.892 -1.310 1.00 0.00 O ATOM 0 H GLY A 3 -21.580 -8.741 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.126 -7.333 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.863 -8.066 0.772 1.00 0.00 H new ATOM 37 N THR A 4 -20.437 -5.387 -0.316 1.00 0.00 N ATOM 38 CA THR A 4 -19.548 -4.243 -0.698 1.00 0.00 C ATOM 39 C THR A 4 -18.990 -3.567 0.564 1.00 0.00 C ATOM 40 O THR A 4 -18.628 -2.400 0.540 1.00 0.00 O ATOM 41 CB THR A 4 -20.359 -3.232 -1.519 1.00 0.00 C ATOM 42 OG1 THR A 4 -19.539 -2.116 -1.834 1.00 0.00 O ATOM 43 CG2 THR A 4 -21.575 -2.764 -0.715 1.00 0.00 C ATOM 0 H THR A 4 -21.264 -5.125 0.220 1.00 0.00 H new ATOM 0 HA THR A 4 -18.713 -4.612 -1.294 1.00 0.00 H new ATOM 0 HB THR A 4 -20.701 -3.706 -2.439 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.207 -1.710 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.146 -2.046 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.205 -3.621 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.241 -2.291 0.208 1.00 0.00 H new ATOM 51 N SER A 5 -18.914 -4.299 1.659 1.00 0.00 N ATOM 52 CA SER A 5 -18.381 -3.725 2.936 1.00 0.00 C ATOM 53 C SER A 5 -16.965 -4.252 3.188 1.00 0.00 C ATOM 54 O SER A 5 -16.360 -4.860 2.320 1.00 0.00 O ATOM 55 CB SER A 5 -19.291 -4.138 4.094 1.00 0.00 C ATOM 56 OG SER A 5 -19.372 -3.073 5.031 1.00 0.00 O ATOM 0 H SER A 5 -19.202 -5.276 1.718 1.00 0.00 H new ATOM 0 HA SER A 5 -18.352 -2.638 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.285 -4.385 3.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.900 -5.034 4.577 1.00 0.00 H new ATOM 0 HG SER A 5 -19.956 -3.334 5.773 1.00 0.00 H new ATOM 62 N CYS A 6 -16.446 -4.018 4.376 1.00 0.00 N ATOM 63 CA CYS A 6 -15.069 -4.492 4.730 1.00 0.00 C ATOM 64 C CYS A 6 -15.098 -5.147 6.114 1.00 0.00 C ATOM 65 O CYS A 6 -16.050 -4.985 6.860 1.00 0.00 O ATOM 66 CB CYS A 6 -14.108 -3.302 4.754 1.00 0.00 C ATOM 67 SG CYS A 6 -13.899 -2.648 3.075 1.00 0.00 S ATOM 0 H CYS A 6 -16.926 -3.513 5.121 1.00 0.00 H new ATOM 0 HA CYS A 6 -14.733 -5.216 3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.495 -2.524 5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.143 -3.610 5.157 1.00 0.00 H new ATOM 72 N ILE A 7 -14.059 -5.885 6.452 1.00 0.00 N ATOM 73 CA ILE A 7 -13.997 -6.570 7.785 1.00 0.00 C ATOM 74 C ILE A 7 -12.547 -6.512 8.325 1.00 0.00 C ATOM 75 O ILE A 7 -11.671 -7.097 7.713 1.00 0.00 O ATOM 76 CB ILE A 7 -14.410 -8.036 7.618 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.754 -8.117 6.888 1.00 0.00 C ATOM 78 CG2 ILE A 7 -14.544 -8.686 8.995 1.00 0.00 C ATOM 79 CD1 ILE A 7 -16.075 -9.579 6.573 1.00 0.00 C ATOM 0 H ILE A 7 -13.247 -6.041 5.855 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.670 -6.072 8.483 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.651 -8.558 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.542 -7.685 7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -15.716 -7.535 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.838 -9.729 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.588 -8.635 9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -15.302 -8.158 9.574 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.031 -9.638 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.292 -9.995 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.131 -10.147 7.501 1.00 0.00 H new ATOM 91 N PRO A 8 -12.312 -5.817 9.445 1.00 0.00 N ATOM 92 CA PRO A 8 -10.951 -5.708 10.026 1.00 0.00 C ATOM 93 C PRO A 8 -10.580 -6.994 10.793 1.00 0.00 C ATOM 94 O PRO A 8 -11.442 -7.637 11.369 1.00 0.00 O ATOM 95 CB PRO A 8 -11.059 -4.523 10.990 1.00 0.00 C ATOM 96 CG PRO A 8 -12.555 -4.385 11.347 1.00 0.00 C ATOM 97 CD PRO A 8 -13.344 -5.087 10.228 1.00 0.00 C ATOM 0 HA PRO A 8 -10.180 -5.571 9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.461 -4.695 11.885 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.685 -3.610 10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.766 -4.842 12.314 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.840 -3.335 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.089 -5.770 10.636 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.878 -4.367 9.607 1.00 0.00 H new ATOM 105 N GLY A 9 -9.306 -7.369 10.803 1.00 0.00 N ATOM 106 CA GLY A 9 -8.863 -8.607 11.529 1.00 0.00 C ATOM 107 C GLY A 9 -9.375 -9.875 10.820 1.00 0.00 C ATOM 108 O GLY A 9 -9.206 -10.973 11.324 1.00 0.00 O ATOM 0 H GLY A 9 -8.556 -6.861 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.775 -8.631 11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.233 -8.584 12.554 1.00 0.00 H new ATOM 112 N MET A 10 -9.993 -9.732 9.659 1.00 0.00 N ATOM 113 CA MET A 10 -10.517 -10.912 8.902 1.00 0.00 C ATOM 114 C MET A 10 -10.246 -10.679 7.394 1.00 0.00 C ATOM 115 O MET A 10 -10.897 -9.836 6.805 1.00 0.00 O ATOM 116 CB MET A 10 -12.028 -11.012 9.128 1.00 0.00 C ATOM 117 CG MET A 10 -12.312 -11.650 10.494 1.00 0.00 C ATOM 118 SD MET A 10 -13.453 -13.039 10.283 1.00 0.00 S ATOM 119 CE MET A 10 -12.209 -14.353 10.292 1.00 0.00 C ATOM 0 H MET A 10 -10.154 -8.833 9.205 1.00 0.00 H new ATOM 0 HA MET A 10 -10.032 -11.829 9.238 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.478 -10.020 9.080 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.484 -11.608 8.337 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.382 -11.994 10.947 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.742 -10.911 11.170 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.699 -15.319 10.172 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.509 -14.197 9.471 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.668 -14.335 11.238 1.00 0.00 H new ATOM 129 N ALA A 11 -9.287 -11.385 6.769 1.00 0.00 N ATOM 130 CA ALA A 11 -8.951 -11.183 5.305 1.00 0.00 C ATOM 131 C ALA A 11 -7.918 -10.058 5.197 1.00 0.00 C ATOM 132 O ALA A 11 -6.822 -10.264 4.703 1.00 0.00 O ATOM 133 CB ALA A 11 -10.193 -10.838 4.464 1.00 0.00 C ATOM 0 H ALA A 11 -8.723 -12.099 7.230 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.551 -12.117 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.901 -10.703 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.918 -11.649 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.641 -9.917 4.838 1.00 0.00 H new ATOM 139 N ILE A 12 -8.258 -8.884 5.683 1.00 0.00 N ATOM 140 CA ILE A 12 -7.317 -7.723 5.665 1.00 0.00 C ATOM 141 C ILE A 12 -6.766 -7.557 7.100 1.00 0.00 C ATOM 142 O ILE A 12 -7.491 -7.070 7.953 1.00 0.00 O ATOM 143 CB ILE A 12 -8.073 -6.458 5.250 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.784 -6.698 3.915 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.087 -5.298 5.100 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.867 -5.636 3.711 1.00 0.00 C ATOM 0 H ILE A 12 -9.167 -8.682 6.099 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.505 -7.889 4.957 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.810 -6.212 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.065 -6.660 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.229 -7.693 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.626 -4.398 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.583 -5.123 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.348 -5.545 4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.372 -5.809 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.592 -5.695 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.410 -4.647 3.704 1.00 0.00 H new ATOM 158 N PRO A 13 -5.541 -8.017 7.371 1.00 0.00 N ATOM 159 CA PRO A 13 -4.976 -7.964 8.735 1.00 0.00 C ATOM 160 C PRO A 13 -4.392 -6.592 9.058 1.00 0.00 C ATOM 161 O PRO A 13 -4.294 -5.725 8.205 1.00 0.00 O ATOM 162 CB PRO A 13 -3.882 -9.030 8.717 1.00 0.00 C ATOM 163 CG PRO A 13 -3.494 -9.247 7.235 1.00 0.00 C ATOM 164 CD PRO A 13 -4.602 -8.605 6.378 1.00 0.00 C ATOM 0 HA PRO A 13 -5.733 -8.139 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.019 -8.708 9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.239 -9.958 9.163 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.528 -8.792 7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.402 -10.310 7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.198 -7.842 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.099 -9.345 5.751 1.00 0.00 H new ATOM 172 N HIS A 14 -4.008 -6.411 10.302 1.00 0.00 N ATOM 173 CA HIS A 14 -3.425 -5.131 10.761 1.00 0.00 C ATOM 174 C HIS A 14 -1.977 -5.026 10.228 1.00 0.00 C ATOM 175 O HIS A 14 -1.287 -6.027 10.134 1.00 0.00 O ATOM 176 CB HIS A 14 -3.412 -5.147 12.295 1.00 0.00 C ATOM 177 CG HIS A 14 -4.795 -5.421 12.846 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.547 -6.568 12.908 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.560 -4.439 13.471 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.751 -6.312 13.558 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.711 -5.018 13.879 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.081 -7.123 11.028 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.004 -4.282 10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.718 -5.910 12.648 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.051 -4.189 12.669 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -5.265 -7.474 12.533 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.284 -3.404 13.605 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.548 -7.012 13.760 1.00 0.00 H new ATOM 189 N ASN A 15 -1.511 -3.830 9.888 1.00 0.00 N ATOM 190 CA ASN A 15 -0.107 -3.647 9.369 1.00 0.00 C ATOM 191 C ASN A 15 0.047 -4.300 7.966 1.00 0.00 C ATOM 192 O ASN A 15 0.804 -5.246 7.802 1.00 0.00 O ATOM 193 CB ASN A 15 0.888 -4.258 10.370 1.00 0.00 C ATOM 194 CG ASN A 15 2.302 -3.786 10.034 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.095 -4.537 9.505 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.653 -2.563 10.322 1.00 0.00 N ATOM 0 H ASN A 15 -2.053 -2.968 9.951 1.00 0.00 H new ATOM 0 HA ASN A 15 0.103 -2.583 9.264 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.626 -3.962 11.386 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.837 -5.346 10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.594 -2.238 10.103 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.986 -1.932 10.767 1.00 0.00 H new ATOM 203 N PRO A 16 -0.677 -3.771 6.984 1.00 0.00 N ATOM 204 CA PRO A 16 -0.629 -4.284 5.592 1.00 0.00 C ATOM 205 C PRO A 16 0.541 -3.680 4.798 1.00 0.00 C ATOM 206 O PRO A 16 1.192 -2.745 5.230 1.00 0.00 O ATOM 207 CB PRO A 16 -1.945 -3.790 4.987 1.00 0.00 C ATOM 208 CG PRO A 16 -2.371 -2.555 5.818 1.00 0.00 C ATOM 209 CD PRO A 16 -1.627 -2.642 7.162 1.00 0.00 C ATOM 0 HA PRO A 16 -0.495 -5.365 5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.815 -3.526 3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.708 -4.568 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.118 -1.632 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.450 -2.548 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.103 -1.713 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.315 -2.828 7.986 1.00 0.00 H new ATOM 217 N LEU A 17 0.763 -4.210 3.613 1.00 0.00 N ATOM 218 CA LEU A 17 1.838 -3.709 2.689 1.00 0.00 C ATOM 219 C LEU A 17 3.164 -3.425 3.427 1.00 0.00 C ATOM 220 O LEU A 17 3.803 -2.401 3.209 1.00 0.00 O ATOM 221 CB LEU A 17 1.327 -2.440 1.988 1.00 0.00 C ATOM 222 CG LEU A 17 -0.008 -2.737 1.298 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.564 -1.453 0.681 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.203 -3.779 0.195 1.00 0.00 C ATOM 0 H LEU A 17 0.227 -4.992 3.238 1.00 0.00 H new ATOM 0 HA LEU A 17 2.055 -4.487 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.202 -1.637 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.058 -2.097 1.256 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.714 -3.123 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.514 -1.667 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.719 -0.710 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.144 -1.065 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.748 -3.989 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.911 -3.394 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.596 -4.697 0.632 1.00 0.00 H new ATOM 236 N ASP A 18 3.595 -4.339 4.272 1.00 0.00 N ATOM 237 CA ASP A 18 4.896 -4.147 5.003 1.00 0.00 C ATOM 238 C ASP A 18 6.054 -4.358 4.023 1.00 0.00 C ATOM 239 O ASP A 18 7.037 -3.611 4.016 1.00 0.00 O ATOM 240 CB ASP A 18 5.009 -5.154 6.152 1.00 0.00 C ATOM 241 CG ASP A 18 4.805 -6.572 5.612 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.780 -7.166 5.181 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.679 -7.039 5.640 1.00 0.00 O ATOM 0 H ASP A 18 3.104 -5.207 4.487 1.00 0.00 H new ATOM 0 HA ASP A 18 4.934 -3.138 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.987 -5.072 6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.264 -4.934 6.917 1.00 0.00 H new ATOM 248 N SER A 19 5.919 -5.355 3.179 1.00 0.00 N ATOM 249 CA SER A 19 6.965 -5.652 2.160 1.00 0.00 C ATOM 250 C SER A 19 7.075 -4.469 1.204 1.00 0.00 C ATOM 251 O SER A 19 8.102 -4.262 0.585 1.00 0.00 O ATOM 252 CB SER A 19 6.576 -6.906 1.377 1.00 0.00 C ATOM 253 OG SER A 19 7.753 -7.569 0.940 1.00 0.00 O ATOM 0 H SER A 19 5.115 -5.982 3.157 1.00 0.00 H new ATOM 0 HA SER A 19 7.923 -5.820 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.982 -7.571 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.957 -6.637 0.521 1.00 0.00 H new ATOM 0 HG SER A 19 7.584 -8.533 0.884 1.00 0.00 H new ATOM 259 N CYS A 20 6.004 -3.713 1.067 1.00 0.00 N ATOM 260 CA CYS A 20 5.993 -2.543 0.145 1.00 0.00 C ATOM 261 C CYS A 20 6.724 -1.366 0.778 1.00 0.00 C ATOM 262 O CYS A 20 7.388 -0.611 0.082 1.00 0.00 O ATOM 263 CB CYS A 20 4.545 -2.173 -0.166 1.00 0.00 C ATOM 264 SG CYS A 20 3.656 -3.666 -0.683 1.00 0.00 S ATOM 0 H CYS A 20 5.128 -3.867 1.567 1.00 0.00 H new ATOM 0 HA CYS A 20 6.507 -2.799 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.070 -1.737 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.509 -1.421 -0.954 1.00 0.00 H new ATOM 269 N ARG A 21 6.615 -1.205 2.083 1.00 0.00 N ATOM 270 CA ARG A 21 7.314 -0.071 2.754 1.00 0.00 C ATOM 271 C ARG A 21 8.839 -0.334 2.727 1.00 0.00 C ATOM 272 O ARG A 21 9.627 0.571 2.405 1.00 0.00 O ATOM 273 CB ARG A 21 6.773 0.135 4.191 1.00 0.00 C ATOM 274 CG ARG A 21 7.532 1.278 4.875 1.00 0.00 C ATOM 275 CD ARG A 21 7.325 1.198 6.390 1.00 0.00 C ATOM 276 NE ARG A 21 8.546 0.635 7.027 1.00 0.00 N ATOM 277 CZ ARG A 21 8.438 -0.176 8.044 1.00 0.00 C ATOM 278 NH1 ARG A 21 8.041 -1.406 7.858 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.726 0.243 9.245 1.00 0.00 N ATOM 0 H ARG A 21 6.074 -1.810 2.702 1.00 0.00 H new ATOM 0 HA ARG A 21 7.119 0.858 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.707 0.362 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.886 -0.784 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.594 1.215 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.179 2.238 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.116 2.189 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.462 0.573 6.618 1.00 0.00 H new ATOM 0 HE ARG A 21 9.468 0.883 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.816 -1.733 6.918 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.956 -2.040 8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.035 1.204 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.642 -0.390 10.040 1.00 0.00 H new ATOM 293 N TRP A 22 9.279 -1.565 3.003 1.00 0.00 N ATOM 294 CA TRP A 22 10.753 -1.834 2.946 1.00 0.00 C ATOM 295 C TRP A 22 11.196 -1.870 1.483 1.00 0.00 C ATOM 296 O TRP A 22 12.322 -1.510 1.156 1.00 0.00 O ATOM 297 CB TRP A 22 11.133 -3.150 3.620 1.00 0.00 C ATOM 298 CG TRP A 22 11.189 -2.927 5.079 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.471 -3.577 5.998 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.009 -1.984 5.780 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.805 -3.086 7.253 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.761 -2.090 7.162 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.936 -1.059 5.329 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.430 -1.282 8.083 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.621 -0.236 6.239 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.367 -0.348 7.618 1.00 0.00 C ATOM 0 H TRP A 22 8.692 -2.360 3.255 1.00 0.00 H new ATOM 0 HA TRP A 22 11.257 -1.033 3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.402 -3.923 3.382 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.098 -3.500 3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.750 -4.356 5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.399 -3.417 8.128 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.134 -0.970 4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.229 -1.375 9.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.343 0.483 5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.893 0.285 8.318 1.00 0.00 H new ATOM 317 N TYR A 23 10.308 -2.297 0.604 1.00 0.00 N ATOM 318 CA TYR A 23 10.641 -2.366 -0.846 1.00 0.00 C ATOM 319 C TYR A 23 10.902 -0.953 -1.354 1.00 0.00 C ATOM 320 O TYR A 23 11.760 -0.760 -2.196 1.00 0.00 O ATOM 321 CB TYR A 23 9.497 -3.030 -1.635 1.00 0.00 C ATOM 322 CG TYR A 23 9.832 -3.102 -3.120 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.157 -3.299 -3.556 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.808 -2.972 -4.066 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.445 -3.361 -4.921 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.100 -3.036 -5.434 1.00 0.00 C ATOM 327 CZ TYR A 23 10.419 -3.229 -5.863 1.00 0.00 C ATOM 328 OH TYR A 23 10.708 -3.290 -7.213 1.00 0.00 O ATOM 0 H TYR A 23 9.363 -2.600 0.841 1.00 0.00 H new ATOM 0 HA TYR A 23 11.534 -2.975 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.318 -4.034 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.576 -2.465 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.952 -3.402 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.790 -2.822 -3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.462 -3.511 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.306 -2.936 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 23 9.882 -3.181 -7.730 1.00 0.00 H new ATOM 338 N VAL A 24 10.204 0.042 -0.821 1.00 0.00 N ATOM 339 CA VAL A 24 10.474 1.444 -1.258 1.00 0.00 C ATOM 340 C VAL A 24 11.830 1.821 -0.701 1.00 0.00 C ATOM 341 O VAL A 24 12.600 2.489 -1.357 1.00 0.00 O ATOM 342 CB VAL A 24 9.444 2.428 -0.716 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.739 3.822 -1.295 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.029 1.984 -1.114 1.00 0.00 C ATOM 0 H VAL A 24 9.475 -0.065 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 24 10.432 1.491 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 24 9.503 2.459 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.008 4.536 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.740 4.135 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.678 3.785 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.301 2.694 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.951 1.948 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.829 0.995 -0.703 1.00 0.00 H new ATOM 354 N SER A 25 12.125 1.396 0.517 1.00 0.00 N ATOM 355 CA SER A 25 13.454 1.733 1.128 1.00 0.00 C ATOM 356 C SER A 25 14.594 1.269 0.195 1.00 0.00 C ATOM 357 O SER A 25 15.600 1.944 0.059 1.00 0.00 O ATOM 358 CB SER A 25 13.612 1.041 2.484 1.00 0.00 C ATOM 359 OG SER A 25 12.349 0.964 3.135 1.00 0.00 O ATOM 0 H SER A 25 11.506 0.837 1.104 1.00 0.00 H new ATOM 0 HA SER A 25 13.503 2.813 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.022 0.041 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.318 1.593 3.104 1.00 0.00 H new ATOM 0 HG SER A 25 12.474 0.652 4.056 1.00 0.00 H new ATOM 365 N THR A 26 14.437 0.110 -0.424 1.00 0.00 N ATOM 366 CA THR A 26 15.504 -0.453 -1.334 1.00 0.00 C ATOM 367 C THR A 26 15.516 0.235 -2.717 1.00 0.00 C ATOM 368 O THR A 26 16.551 0.695 -3.160 1.00 0.00 O ATOM 369 CB THR A 26 15.266 -1.972 -1.486 1.00 0.00 C ATOM 370 OG1 THR A 26 15.540 -2.605 -0.245 1.00 0.00 O ATOM 371 CG2 THR A 26 16.176 -2.580 -2.569 1.00 0.00 C ATOM 0 H THR A 26 13.606 -0.475 -0.336 1.00 0.00 H new ATOM 0 HA THR A 26 16.480 -0.264 -0.886 1.00 0.00 H new ATOM 0 HB THR A 26 14.229 -2.129 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.611 -1.927 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.982 -3.650 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.972 -2.101 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.220 -2.420 -2.299 1.00 0.00 H new ATOM 379 N ARG A 27 14.400 0.268 -3.407 1.00 0.00 N ATOM 380 CA ARG A 27 14.352 0.892 -4.774 1.00 0.00 C ATOM 381 C ARG A 27 14.730 2.377 -4.703 1.00 0.00 C ATOM 382 O ARG A 27 15.143 2.958 -5.694 1.00 0.00 O ATOM 383 CB ARG A 27 12.941 0.753 -5.352 1.00 0.00 C ATOM 384 CG ARG A 27 12.938 1.176 -6.825 1.00 0.00 C ATOM 385 CD ARG A 27 13.566 0.071 -7.678 1.00 0.00 C ATOM 386 NE ARG A 27 15.001 0.386 -7.921 1.00 0.00 N ATOM 387 CZ ARG A 27 15.332 1.348 -8.742 1.00 0.00 C ATOM 388 NH1 ARG A 27 14.738 1.453 -9.899 1.00 0.00 N ATOM 389 NH2 ARG A 27 16.259 2.201 -8.407 1.00 0.00 N ATOM 0 H ARG A 27 13.512 -0.113 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 27 15.067 0.378 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.601 -0.278 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.244 1.371 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.918 1.369 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.495 2.105 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.474 -0.890 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.036 -0.016 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 27 15.727 -0.150 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.015 0.784 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.997 2.204 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.726 2.118 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.517 2.951 -9.048 1.00 0.00 H new ATOM 403 N THR A 28 14.545 2.998 -3.556 1.00 0.00 N ATOM 404 CA THR A 28 14.836 4.461 -3.415 1.00 0.00 C ATOM 405 C THR A 28 16.247 4.722 -2.838 1.00 0.00 C ATOM 406 O THR A 28 17.071 5.328 -3.505 1.00 0.00 O ATOM 407 CB THR A 28 13.748 5.096 -2.524 1.00 0.00 C ATOM 408 OG1 THR A 28 13.849 4.601 -1.200 1.00 0.00 O ATOM 409 CG2 THR A 28 12.368 4.755 -3.092 1.00 0.00 C ATOM 0 H THR A 28 14.202 2.548 -2.707 1.00 0.00 H new ATOM 0 HA THR A 28 14.821 4.919 -4.404 1.00 0.00 H new ATOM 0 HB THR A 28 13.886 6.177 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.659 3.640 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.596 5.202 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.285 5.147 -4.106 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.239 3.673 -3.110 1.00 0.00 H new ATOM 417 N CYS A 29 16.529 4.301 -1.614 1.00 0.00 N ATOM 418 CA CYS A 29 17.883 4.553 -0.997 1.00 0.00 C ATOM 419 C CYS A 29 18.779 3.311 -1.082 1.00 0.00 C ATOM 420 O CYS A 29 19.809 3.247 -0.426 1.00 0.00 O ATOM 421 CB CYS A 29 17.722 4.924 0.480 1.00 0.00 C ATOM 422 SG CYS A 29 16.284 5.993 0.719 1.00 0.00 S ATOM 0 H CYS A 29 15.876 3.793 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 29 18.347 5.368 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.611 4.019 1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.620 5.431 0.833 1.00 0.00 H new ATOM 427 N GLY A 30 18.390 2.326 -1.853 1.00 0.00 N ATOM 428 CA GLY A 30 19.202 1.061 -1.959 1.00 0.00 C ATOM 429 C GLY A 30 19.375 0.443 -0.556 1.00 0.00 C ATOM 430 O GLY A 30 20.318 -0.292 -0.312 1.00 0.00 O ATOM 0 H GLY A 30 17.541 2.338 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.706 0.352 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.177 1.277 -2.396 1.00 0.00 H new ATOM 434 N VAL A 31 18.468 0.750 0.359 1.00 0.00 N ATOM 435 CA VAL A 31 18.549 0.207 1.759 1.00 0.00 C ATOM 436 C VAL A 31 17.331 -0.684 2.033 1.00 0.00 C ATOM 437 O VAL A 31 16.364 -0.659 1.291 1.00 0.00 O ATOM 438 CB VAL A 31 18.570 1.376 2.750 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.812 0.848 4.167 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.693 2.353 2.366 1.00 0.00 C ATOM 0 H VAL A 31 17.669 1.360 0.188 1.00 0.00 H new ATOM 0 HA VAL A 31 19.457 -0.384 1.874 1.00 0.00 H new ATOM 0 HB VAL A 31 17.611 1.893 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.826 1.682 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.013 0.158 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.769 0.327 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.708 3.185 3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.652 1.835 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.516 2.733 1.360 1.00 0.00 H new ATOM 450 N GLY A 32 17.382 -1.483 3.083 1.00 0.00 N ATOM 451 CA GLY A 32 16.245 -2.405 3.406 1.00 0.00 C ATOM 452 C GLY A 32 16.816 -3.818 3.685 1.00 0.00 C ATOM 453 O GLY A 32 18.028 -3.972 3.647 1.00 0.00 O ATOM 0 H GLY A 32 18.169 -1.532 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.698 -2.040 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.539 -2.440 2.576 1.00 0.00 H new ATOM 457 N PRO A 33 15.973 -4.833 3.946 1.00 0.00 N ATOM 458 CA PRO A 33 16.497 -6.197 4.200 1.00 0.00 C ATOM 459 C PRO A 33 17.198 -6.728 2.941 1.00 0.00 C ATOM 460 O PRO A 33 17.173 -6.085 1.902 1.00 0.00 O ATOM 461 CB PRO A 33 15.256 -7.009 4.604 1.00 0.00 C ATOM 462 CG PRO A 33 14.041 -6.233 4.070 1.00 0.00 C ATOM 463 CD PRO A 33 14.475 -4.758 4.002 1.00 0.00 C ATOM 0 HA PRO A 33 17.254 -6.246 4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.293 -8.013 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.200 -7.122 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.746 -6.599 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.180 -6.356 4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.065 -4.260 3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.134 -4.199 4.873 1.00 0.00 H new ATOM 471 N ARG A 34 17.861 -7.867 3.037 1.00 0.00 N ATOM 472 CA ARG A 34 18.612 -8.417 1.866 1.00 0.00 C ATOM 473 C ARG A 34 17.732 -9.390 1.072 1.00 0.00 C ATOM 474 O ARG A 34 17.783 -10.597 1.248 1.00 0.00 O ATOM 475 CB ARG A 34 19.877 -9.128 2.365 1.00 0.00 C ATOM 476 CG ARG A 34 21.057 -8.153 2.342 1.00 0.00 C ATOM 477 CD ARG A 34 20.888 -7.119 3.456 1.00 0.00 C ATOM 478 NE ARG A 34 22.229 -6.728 3.979 1.00 0.00 N ATOM 479 CZ ARG A 34 22.923 -5.804 3.372 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.727 -4.545 3.657 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.817 -6.140 2.482 1.00 0.00 N ATOM 0 H ARG A 34 17.910 -8.436 3.882 1.00 0.00 H new ATOM 0 HA ARG A 34 18.894 -7.598 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.721 -9.502 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.093 -9.991 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.993 -8.696 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.111 -7.655 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.364 -6.242 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.278 -7.531 4.260 1.00 0.00 H new ATOM 0 HE ARG A 34 22.604 -7.183 4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 34 22.031 -4.282 4.355 1.00 0.00 H new ATOM 0 HH12 ARG A 34 23.270 -3.824 3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.973 -7.124 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.360 -5.419 2.007 1.00 0.00 H new ATOM 495 N LEU A 35 16.938 -8.841 0.183 1.00 0.00 N ATOM 496 CA LEU A 35 16.041 -9.664 -0.683 1.00 0.00 C ATOM 497 C LEU A 35 16.043 -9.063 -2.088 1.00 0.00 C ATOM 498 O LEU A 35 15.912 -7.860 -2.249 1.00 0.00 O ATOM 499 CB LEU A 35 14.616 -9.654 -0.124 1.00 0.00 C ATOM 500 CG LEU A 35 13.912 -10.955 -0.514 1.00 0.00 C ATOM 501 CD1 LEU A 35 14.459 -12.103 0.337 1.00 0.00 C ATOM 502 CD2 LEU A 35 12.407 -10.815 -0.276 1.00 0.00 C ATOM 0 H LEU A 35 16.875 -7.836 0.020 1.00 0.00 H new ATOM 0 HA LEU A 35 16.398 -10.694 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.639 -9.550 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.066 -8.798 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 35 14.093 -11.164 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.959 -13.031 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.531 -12.204 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.278 -11.893 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.907 -11.743 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.223 -10.606 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.017 -9.997 -0.882 1.00 0.00 H new ATOM 514 N ALA A 36 16.203 -9.890 -3.104 1.00 0.00 N ATOM 515 CA ALA A 36 16.234 -9.386 -4.520 1.00 0.00 C ATOM 516 C ALA A 36 15.025 -8.463 -4.778 1.00 0.00 C ATOM 517 O ALA A 36 14.049 -8.505 -4.048 1.00 0.00 O ATOM 518 CB ALA A 36 16.202 -10.575 -5.482 1.00 0.00 C ATOM 0 H ALA A 36 16.314 -10.900 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 36 17.149 -8.816 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.224 -10.212 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.069 -11.211 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.290 -11.150 -5.320 1.00 0.00 H new ATOM 524 N THR A 37 15.104 -7.619 -5.791 1.00 0.00 N ATOM 525 CA THR A 37 13.990 -6.662 -6.097 1.00 0.00 C ATOM 526 C THR A 37 12.796 -7.384 -6.735 1.00 0.00 C ATOM 527 O THR A 37 11.669 -6.932 -6.613 1.00 0.00 O ATOM 528 CB THR A 37 14.509 -5.592 -7.063 1.00 0.00 C ATOM 529 OG1 THR A 37 15.680 -4.998 -6.521 1.00 0.00 O ATOM 530 CG2 THR A 37 13.443 -4.513 -7.276 1.00 0.00 C ATOM 0 H THR A 37 15.903 -7.556 -6.422 1.00 0.00 H new ATOM 0 HA THR A 37 13.654 -6.208 -5.165 1.00 0.00 H new ATOM 0 HB THR A 37 14.740 -6.058 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.015 -4.314 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.822 -3.758 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.545 -4.967 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.202 -4.046 -6.321 1.00 0.00 H new ATOM 538 N GLN A 38 13.035 -8.479 -7.427 1.00 0.00 N ATOM 539 CA GLN A 38 11.916 -9.223 -8.099 1.00 0.00 C ATOM 540 C GLN A 38 11.081 -9.984 -7.066 1.00 0.00 C ATOM 541 O GLN A 38 9.869 -10.057 -7.184 1.00 0.00 O ATOM 542 CB GLN A 38 12.493 -10.209 -9.116 1.00 0.00 C ATOM 543 CG GLN A 38 12.639 -9.517 -10.473 1.00 0.00 C ATOM 544 CD GLN A 38 12.952 -10.560 -11.548 1.00 0.00 C ATOM 545 OE1 GLN A 38 12.133 -10.830 -12.405 1.00 0.00 O ATOM 546 NE2 GLN A 38 14.110 -11.162 -11.541 1.00 0.00 N ATOM 0 H GLN A 38 13.960 -8.890 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 38 11.274 -8.504 -8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.462 -10.573 -8.776 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.840 -11.077 -9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.720 -8.986 -10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.435 -8.774 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.798 -10.936 -10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.327 -11.858 -12.254 1.00 0.00 H new ATOM 555 N GLU A 39 11.720 -10.549 -6.065 1.00 0.00 N ATOM 556 CA GLU A 39 10.982 -11.312 -5.008 1.00 0.00 C ATOM 557 C GLU A 39 10.227 -10.329 -4.109 1.00 0.00 C ATOM 558 O GLU A 39 9.179 -10.649 -3.569 1.00 0.00 O ATOM 559 CB GLU A 39 11.977 -12.112 -4.160 1.00 0.00 C ATOM 560 CG GLU A 39 12.467 -13.334 -4.946 1.00 0.00 C ATOM 561 CD GLU A 39 11.692 -14.578 -4.502 1.00 0.00 C ATOM 562 OE1 GLU A 39 10.582 -14.761 -4.973 1.00 0.00 O ATOM 563 OE2 GLU A 39 12.224 -15.326 -3.698 1.00 0.00 O ATOM 0 H GLU A 39 12.731 -10.512 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 39 10.277 -11.996 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.823 -11.482 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.503 -12.432 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.329 -13.170 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.534 -13.481 -4.781 1.00 0.00 H new ATOM 570 N MET A 40 10.765 -9.139 -3.949 1.00 0.00 N ATOM 571 CA MET A 40 10.123 -8.102 -3.090 1.00 0.00 C ATOM 572 C MET A 40 8.861 -7.602 -3.788 1.00 0.00 C ATOM 573 O MET A 40 7.769 -7.652 -3.241 1.00 0.00 O ATOM 574 CB MET A 40 11.101 -6.943 -2.936 1.00 0.00 C ATOM 575 CG MET A 40 10.780 -6.144 -1.673 1.00 0.00 C ATOM 576 SD MET A 40 11.963 -6.578 -0.372 1.00 0.00 S ATOM 577 CE MET A 40 10.994 -7.903 0.388 1.00 0.00 C ATOM 0 H MET A 40 11.637 -8.843 -4.388 1.00 0.00 H new ATOM 0 HA MET A 40 9.866 -8.513 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 40 12.121 -7.323 -2.885 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.046 -6.293 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.829 -5.075 -1.883 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.764 -6.358 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.635 -8.493 1.043 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.180 -7.471 0.970 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.582 -8.545 -0.391 1.00 0.00 H new ATOM 587 N LYS A 41 9.024 -7.127 -5.004 1.00 0.00 N ATOM 588 CA LYS A 41 7.860 -6.610 -5.801 1.00 0.00 C ATOM 589 C LYS A 41 6.826 -7.725 -5.965 1.00 0.00 C ATOM 590 O LYS A 41 5.629 -7.477 -5.994 1.00 0.00 O ATOM 591 CB LYS A 41 8.342 -6.163 -7.186 1.00 0.00 C ATOM 592 CG LYS A 41 7.184 -5.508 -7.949 1.00 0.00 C ATOM 593 CD LYS A 41 6.569 -6.515 -8.927 1.00 0.00 C ATOM 594 CE LYS A 41 7.574 -6.836 -10.038 1.00 0.00 C ATOM 595 NZ LYS A 41 7.492 -8.286 -10.377 1.00 0.00 N ATOM 0 H LYS A 41 9.923 -7.075 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 41 7.412 -5.763 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.168 -5.459 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.720 -7.020 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.426 -5.159 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.543 -4.633 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.293 -7.427 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.655 -6.107 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.362 -6.232 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.584 -6.584 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.174 -8.505 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.714 -8.853 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.531 -8.513 -10.703 1.00 0.00 H new ATOM 609 N ALA A 42 7.296 -8.950 -6.065 1.00 0.00 N ATOM 610 CA ALA A 42 6.384 -10.122 -6.223 1.00 0.00 C ATOM 611 C ALA A 42 5.610 -10.324 -4.924 1.00 0.00 C ATOM 612 O ALA A 42 4.460 -10.729 -4.937 1.00 0.00 O ATOM 613 CB ALA A 42 7.209 -11.374 -6.528 1.00 0.00 C ATOM 0 H ALA A 42 8.288 -9.185 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 42 5.689 -9.943 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.543 -12.229 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.770 -11.224 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.902 -11.562 -5.708 1.00 0.00 H new ATOM 619 N ARG A 43 6.246 -10.039 -3.807 1.00 0.00 N ATOM 620 CA ARG A 43 5.577 -10.195 -2.479 1.00 0.00 C ATOM 621 C ARG A 43 4.434 -9.180 -2.370 1.00 0.00 C ATOM 622 O ARG A 43 3.319 -9.530 -2.006 1.00 0.00 O ATOM 623 CB ARG A 43 6.600 -9.946 -1.360 1.00 0.00 C ATOM 624 CG ARG A 43 6.946 -11.270 -0.671 1.00 0.00 C ATOM 625 CD ARG A 43 5.728 -11.772 0.106 1.00 0.00 C ATOM 626 NE ARG A 43 6.091 -13.007 0.855 1.00 0.00 N ATOM 627 CZ ARG A 43 5.186 -13.916 1.092 1.00 0.00 C ATOM 628 NH1 ARG A 43 4.803 -14.720 0.138 1.00 0.00 N ATOM 629 NH2 ARG A 43 4.663 -14.021 2.282 1.00 0.00 N ATOM 0 H ARG A 43 7.208 -9.702 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 43 5.178 -11.205 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.502 -9.494 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.194 -9.242 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.249 -12.010 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.790 -11.131 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.382 -11.003 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.906 -11.978 -0.579 1.00 0.00 H new ATOM 0 HE ARG A 43 7.047 -13.142 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.211 -14.638 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.095 -15.431 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.962 -13.392 3.028 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.955 -14.732 2.467 1.00 0.00 H new ATOM 643 N CYS A 44 4.710 -7.928 -2.683 1.00 0.00 N ATOM 644 CA CYS A 44 3.657 -6.865 -2.600 1.00 0.00 C ATOM 645 C CYS A 44 2.504 -7.148 -3.563 1.00 0.00 C ATOM 646 O CYS A 44 1.363 -6.872 -3.241 1.00 0.00 O ATOM 647 CB CYS A 44 4.229 -5.518 -2.974 1.00 0.00 C ATOM 648 SG CYS A 44 5.065 -4.846 -1.544 1.00 0.00 S ATOM 0 H CYS A 44 5.625 -7.600 -2.993 1.00 0.00 H new ATOM 0 HA CYS A 44 3.296 -6.862 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.924 -5.619 -3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.435 -4.846 -3.300 1.00 0.00 H new ATOM 653 N CYS A 45 2.792 -7.663 -4.750 1.00 0.00 N ATOM 654 CA CYS A 45 1.701 -7.930 -5.742 1.00 0.00 C ATOM 655 C CYS A 45 0.906 -9.158 -5.300 1.00 0.00 C ATOM 656 O CYS A 45 -0.273 -9.275 -5.597 1.00 0.00 O ATOM 657 CB CYS A 45 2.289 -8.173 -7.139 1.00 0.00 C ATOM 658 SG CYS A 45 3.118 -6.685 -7.787 1.00 0.00 S ATOM 0 H CYS A 45 3.731 -7.905 -5.065 1.00 0.00 H new ATOM 0 HA CYS A 45 1.045 -7.060 -5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.001 -8.997 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.494 -8.474 -7.822 1.00 0.00 H new ATOM 663 N ARG A 46 1.542 -10.064 -4.587 1.00 0.00 N ATOM 664 CA ARG A 46 0.839 -11.288 -4.103 1.00 0.00 C ATOM 665 C ARG A 46 -0.104 -10.885 -2.976 1.00 0.00 C ATOM 666 O ARG A 46 -1.158 -11.474 -2.802 1.00 0.00 O ATOM 667 CB ARG A 46 1.860 -12.290 -3.568 1.00 0.00 C ATOM 668 CG ARG A 46 1.262 -13.701 -3.601 1.00 0.00 C ATOM 669 CD ARG A 46 0.600 -14.011 -2.257 1.00 0.00 C ATOM 670 NE ARG A 46 0.386 -15.483 -2.134 1.00 0.00 N ATOM 671 CZ ARG A 46 0.622 -16.086 -1.000 1.00 0.00 C ATOM 672 NH1 ARG A 46 1.705 -15.809 -0.328 1.00 0.00 N ATOM 673 NH2 ARG A 46 -0.225 -16.966 -0.539 1.00 0.00 N ATOM 0 H ARG A 46 2.525 -10.002 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 46 0.283 -11.746 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.768 -12.255 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.142 -12.028 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.529 -13.777 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.042 -14.433 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.227 -13.655 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.353 -13.487 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 46 0.055 -16.019 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.367 -15.122 -0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.890 -16.280 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.072 -17.183 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.040 -17.437 0.347 1.00 0.00 H new ATOM 687 N GLN A 47 0.277 -9.876 -2.212 1.00 0.00 N ATOM 688 CA GLN A 47 -0.589 -9.406 -1.081 1.00 0.00 C ATOM 689 C GLN A 47 -1.741 -8.555 -1.628 1.00 0.00 C ATOM 690 O GLN A 47 -2.854 -8.609 -1.129 1.00 0.00 O ATOM 691 CB GLN A 47 0.247 -8.573 -0.104 1.00 0.00 C ATOM 692 CG GLN A 47 1.448 -9.395 0.383 1.00 0.00 C ATOM 693 CD GLN A 47 1.560 -9.295 1.905 1.00 0.00 C ATOM 694 OE1 GLN A 47 1.145 -10.188 2.617 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.108 -8.237 2.439 1.00 0.00 N ATOM 0 H GLN A 47 1.150 -9.362 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.998 -10.271 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.592 -7.661 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.365 -8.268 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.332 -10.437 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.363 -9.030 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.457 -7.487 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.187 -8.161 3.453 1.00 0.00 H new ATOM 704 N LEU A 48 -1.465 -7.771 -2.647 1.00 0.00 N ATOM 705 CA LEU A 48 -2.499 -6.886 -3.260 1.00 0.00 C ATOM 706 C LEU A 48 -3.553 -7.729 -3.977 1.00 0.00 C ATOM 707 O LEU A 48 -4.728 -7.400 -3.960 1.00 0.00 O ATOM 708 CB LEU A 48 -1.817 -5.951 -4.262 1.00 0.00 C ATOM 709 CG LEU A 48 -2.739 -4.765 -4.576 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.934 -3.463 -4.554 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.352 -4.956 -5.964 1.00 0.00 C ATOM 0 H LEU A 48 -0.546 -7.710 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.989 -6.303 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.873 -5.591 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.582 -6.493 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.529 -4.714 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.593 -2.624 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.493 -3.325 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.143 -3.512 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.008 -4.115 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.558 -5.008 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.928 -5.881 -5.983 1.00 0.00 H new ATOM 723 N GLU A 49 -3.139 -8.813 -4.599 1.00 0.00 N ATOM 724 CA GLU A 49 -4.106 -9.698 -5.320 1.00 0.00 C ATOM 725 C GLU A 49 -4.860 -10.544 -4.292 1.00 0.00 C ATOM 726 O GLU A 49 -6.065 -10.707 -4.386 1.00 0.00 O ATOM 727 CB GLU A 49 -3.349 -10.607 -6.293 1.00 0.00 C ATOM 728 CG GLU A 49 -4.246 -10.943 -7.486 1.00 0.00 C ATOM 729 CD GLU A 49 -3.565 -12.003 -8.357 1.00 0.00 C ATOM 730 OE1 GLU A 49 -2.619 -11.657 -9.046 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.001 -13.142 -8.320 1.00 0.00 O ATOM 0 H GLU A 49 -2.167 -9.121 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.813 -9.092 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.440 -10.112 -6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.042 -11.522 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.211 -11.310 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.440 -10.045 -8.073 1.00 0.00 H new ATOM 738 N ALA A 50 -4.158 -11.051 -3.289 1.00 0.00 N ATOM 739 CA ALA A 50 -4.823 -11.860 -2.210 1.00 0.00 C ATOM 740 C ALA A 50 -5.925 -10.998 -1.589 1.00 0.00 C ATOM 741 O ALA A 50 -6.989 -11.478 -1.243 1.00 0.00 O ATOM 742 CB ALA A 50 -3.797 -12.243 -1.142 1.00 0.00 C ATOM 0 H ALA A 50 -3.151 -10.936 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.246 -12.775 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.284 -12.829 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.002 -12.834 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.373 -11.339 -0.704 1.00 0.00 H new ATOM 748 N ILE A 51 -5.665 -9.713 -1.506 1.00 0.00 N ATOM 749 CA ILE A 51 -6.659 -8.736 -0.982 1.00 0.00 C ATOM 750 C ILE A 51 -7.531 -8.309 -2.177 1.00 0.00 C ATOM 751 O ILE A 51 -7.048 -7.574 -3.022 1.00 0.00 O ATOM 752 CB ILE A 51 -5.942 -7.511 -0.403 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.000 -7.952 0.718 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.976 -6.530 0.160 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.979 -6.844 0.988 1.00 0.00 C ATOM 0 H ILE A 51 -4.778 -9.296 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.260 -9.180 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.368 -7.023 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.569 -8.166 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.489 -8.873 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.465 -5.659 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.649 -6.213 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.551 -7.019 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.306 -7.156 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.403 -6.652 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.500 -5.934 1.287 1.00 0.00 H new ATOM 767 N PRO A 52 -8.763 -8.805 -2.265 1.00 0.00 N ATOM 768 CA PRO A 52 -9.640 -8.488 -3.411 1.00 0.00 C ATOM 769 C PRO A 52 -9.861 -6.980 -3.508 1.00 0.00 C ATOM 770 O PRO A 52 -9.892 -6.288 -2.506 1.00 0.00 O ATOM 771 CB PRO A 52 -10.925 -9.279 -3.131 1.00 0.00 C ATOM 772 CG PRO A 52 -10.910 -9.592 -1.622 1.00 0.00 C ATOM 773 CD PRO A 52 -9.422 -9.641 -1.230 1.00 0.00 C ATOM 0 HA PRO A 52 -9.220 -8.766 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.807 -8.698 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.955 -10.196 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.440 -8.826 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.403 -10.541 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.258 -9.243 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.039 -10.662 -1.235 1.00 0.00 H new ATOM 781 N ALA A 53 -9.971 -6.478 -4.726 1.00 0.00 N ATOM 782 CA ALA A 53 -10.151 -5.004 -4.988 1.00 0.00 C ATOM 783 C ALA A 53 -11.034 -4.334 -3.927 1.00 0.00 C ATOM 784 O ALA A 53 -10.825 -3.181 -3.586 1.00 0.00 O ATOM 785 CB ALA A 53 -10.780 -4.825 -6.367 1.00 0.00 C ATOM 0 H ALA A 53 -9.942 -7.047 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.172 -4.526 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.916 -3.763 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.126 -5.258 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.748 -5.326 -6.393 1.00 0.00 H new ATOM 791 N TYR A 54 -11.998 -5.057 -3.395 1.00 0.00 N ATOM 792 CA TYR A 54 -12.885 -4.485 -2.338 1.00 0.00 C ATOM 793 C TYR A 54 -12.071 -4.335 -1.051 1.00 0.00 C ATOM 794 O TYR A 54 -11.493 -5.290 -0.565 1.00 0.00 O ATOM 795 CB TYR A 54 -14.076 -5.418 -2.106 1.00 0.00 C ATOM 796 CG TYR A 54 -15.121 -5.152 -3.164 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.646 -3.863 -3.317 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.560 -6.190 -3.994 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.611 -3.611 -4.298 1.00 0.00 C ATOM 800 CE2 TYR A 54 -16.525 -5.938 -4.978 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.050 -4.649 -5.129 1.00 0.00 C ATOM 802 OH TYR A 54 -18.001 -4.401 -6.099 1.00 0.00 O ATOM 0 H TYR A 54 -12.205 -6.022 -3.652 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.264 -3.511 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.753 -6.458 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.495 -5.254 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.306 -3.062 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.155 -7.184 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.017 -2.617 -4.414 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -16.864 -6.738 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.193 -5.228 -6.588 1.00 0.00 H new ATOM 812 N CYS A 55 -12.012 -3.127 -0.519 1.00 0.00 N ATOM 813 CA CYS A 55 -11.226 -2.837 0.736 1.00 0.00 C ATOM 814 C CYS A 55 -9.718 -2.751 0.428 1.00 0.00 C ATOM 815 O CYS A 55 -8.928 -2.505 1.325 1.00 0.00 O ATOM 816 CB CYS A 55 -11.460 -3.919 1.804 1.00 0.00 C ATOM 817 SG CYS A 55 -13.236 -4.222 1.993 1.00 0.00 S ATOM 0 H CYS A 55 -12.486 -2.313 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.574 -1.879 1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.953 -4.841 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.033 -3.602 2.755 1.00 0.00 H new ATOM 822 N ARG A 56 -9.309 -2.951 -0.820 1.00 0.00 N ATOM 823 CA ARG A 56 -7.847 -2.879 -1.168 1.00 0.00 C ATOM 824 C ARG A 56 -7.285 -1.492 -0.780 1.00 0.00 C ATOM 825 O ARG A 56 -6.832 -1.324 0.334 1.00 0.00 O ATOM 826 CB ARG A 56 -7.659 -3.143 -2.669 1.00 0.00 C ATOM 827 CG ARG A 56 -7.323 -4.628 -2.901 1.00 0.00 C ATOM 828 CD ARG A 56 -6.073 -4.764 -3.782 1.00 0.00 C ATOM 829 NE ARG A 56 -6.430 -5.443 -5.065 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.336 -4.799 -6.195 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.720 -3.554 -6.272 1.00 0.00 N ATOM 832 NH2 ARG A 56 -5.856 -5.404 -7.247 1.00 0.00 N ATOM 0 H ARG A 56 -9.927 -3.160 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.301 -3.641 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.567 -2.878 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.859 -2.515 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.157 -5.123 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.167 -5.128 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.651 -3.780 -3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.308 -5.336 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.748 -6.412 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.094 -3.084 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.646 -3.051 -7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.556 -6.377 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.781 -4.904 -8.133 1.00 0.00 H new ATOM 846 N CYS A 57 -7.295 -0.515 -1.691 1.00 0.00 N ATOM 847 CA CYS A 57 -6.752 0.879 -1.408 1.00 0.00 C ATOM 848 C CYS A 57 -6.817 1.295 0.081 1.00 0.00 C ATOM 849 O CYS A 57 -5.874 1.886 0.574 1.00 0.00 O ATOM 850 CB CYS A 57 -7.532 1.893 -2.246 1.00 0.00 C ATOM 851 SG CYS A 57 -7.029 1.745 -3.980 1.00 0.00 S ATOM 0 H CYS A 57 -7.664 -0.631 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.695 0.860 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.603 1.716 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.342 2.904 -1.885 1.00 0.00 H new ATOM 856 N GLU A 58 -7.909 1.015 0.794 1.00 0.00 N ATOM 857 CA GLU A 58 -8.029 1.405 2.251 1.00 0.00 C ATOM 858 C GLU A 58 -6.702 1.190 3.014 1.00 0.00 C ATOM 859 O GLU A 58 -6.204 2.101 3.650 1.00 0.00 O ATOM 860 CB GLU A 58 -9.122 0.557 2.906 1.00 0.00 C ATOM 861 CG GLU A 58 -9.753 1.341 4.056 1.00 0.00 C ATOM 862 CD GLU A 58 -10.821 2.285 3.503 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.698 1.809 2.800 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.744 3.469 3.790 1.00 0.00 O ATOM 0 H GLU A 58 -8.724 0.529 0.420 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.278 2.465 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.882 0.293 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.700 -0.377 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.197 0.655 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.988 1.910 4.585 1.00 0.00 H new ATOM 871 N ALA A 59 -6.147 -0.012 2.958 1.00 0.00 N ATOM 872 CA ALA A 59 -4.856 -0.339 3.671 1.00 0.00 C ATOM 873 C ALA A 59 -3.830 0.802 3.579 1.00 0.00 C ATOM 874 O ALA A 59 -3.221 1.171 4.569 1.00 0.00 O ATOM 875 CB ALA A 59 -4.256 -1.603 3.050 1.00 0.00 C ATOM 0 H ALA A 59 -6.545 -0.794 2.437 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.086 -0.489 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.323 -1.850 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.958 -2.430 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.060 -1.431 1.992 1.00 0.00 H new ATOM 881 N VAL A 60 -3.636 1.350 2.401 1.00 0.00 N ATOM 882 CA VAL A 60 -2.652 2.471 2.213 1.00 0.00 C ATOM 883 C VAL A 60 -3.011 3.626 3.156 1.00 0.00 C ATOM 884 O VAL A 60 -2.166 4.129 3.885 1.00 0.00 O ATOM 885 CB VAL A 60 -2.706 2.953 0.761 1.00 0.00 C ATOM 886 CG1 VAL A 60 -1.621 4.005 0.526 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.470 1.764 -0.174 1.00 0.00 C ATOM 0 H VAL A 60 -4.123 1.066 1.551 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.645 2.120 2.440 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.683 3.392 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.663 4.346 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.784 4.851 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.642 3.569 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.508 2.102 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.492 1.329 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.243 1.013 -0.010 1.00 0.00 H new ATOM 897 N ARG A 61 -4.265 4.029 3.146 1.00 0.00 N ATOM 898 CA ARG A 61 -4.729 5.142 4.043 1.00 0.00 C ATOM 899 C ARG A 61 -4.478 4.760 5.511 1.00 0.00 C ATOM 900 O ARG A 61 -4.333 5.617 6.361 1.00 0.00 O ATOM 901 CB ARG A 61 -6.230 5.387 3.827 1.00 0.00 C ATOM 902 CG ARG A 61 -6.436 6.639 2.969 1.00 0.00 C ATOM 903 CD ARG A 61 -7.756 7.311 3.353 1.00 0.00 C ATOM 904 NE ARG A 61 -7.548 8.171 4.553 1.00 0.00 N ATOM 905 CZ ARG A 61 -8.304 9.219 4.745 1.00 0.00 C ATOM 906 NH1 ARG A 61 -8.031 10.341 4.136 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.332 9.144 5.544 1.00 0.00 N ATOM 0 H ARG A 61 -4.991 3.631 2.550 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.176 6.051 3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.682 4.523 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.730 5.508 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.607 7.332 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.446 6.371 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.125 7.912 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.513 6.555 3.561 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.815 7.941 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.228 10.399 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.621 11.159 4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.546 8.267 6.019 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.922 9.962 5.694 1.00 0.00 H new ATOM 921 N ILE A 62 -4.449 3.477 5.804 1.00 0.00 N ATOM 922 CA ILE A 62 -4.221 2.992 7.208 1.00 0.00 C ATOM 923 C ILE A 62 -2.736 3.071 7.563 1.00 0.00 C ATOM 924 O ILE A 62 -2.396 3.234 8.721 1.00 0.00 O ATOM 925 CB ILE A 62 -4.707 1.533 7.310 1.00 0.00 C ATOM 926 CG1 ILE A 62 -6.221 1.465 7.042 1.00 0.00 C ATOM 927 CG2 ILE A 62 -4.391 0.943 8.692 1.00 0.00 C ATOM 928 CD1 ILE A 62 -7.004 2.233 8.115 1.00 0.00 C ATOM 0 H ILE A 62 -4.576 2.734 5.117 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.774 3.620 7.906 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.181 0.943 6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.439 1.882 6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.545 0.424 7.025 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.744 -0.087 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.314 0.965 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.890 1.532 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.071 2.169 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.803 1.798 9.094 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.695 3.278 8.112 1.00 0.00 H new ATOM 940 N LEU A 63 -1.859 2.932 6.595 1.00 0.00 N ATOM 941 CA LEU A 63 -0.399 2.991 6.901 1.00 0.00 C ATOM 942 C LEU A 63 0.039 4.441 7.061 1.00 0.00 C ATOM 943 O LEU A 63 0.857 4.751 7.907 1.00 0.00 O ATOM 944 CB LEU A 63 0.413 2.323 5.788 1.00 0.00 C ATOM 945 CG LEU A 63 1.808 1.956 6.322 1.00 0.00 C ATOM 946 CD1 LEU A 63 1.907 0.442 6.521 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.878 2.406 5.321 1.00 0.00 C ATOM 0 H LEU A 63 -2.092 2.781 5.614 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.219 2.455 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.100 1.428 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.504 2.996 4.935 1.00 0.00 H new ATOM 0 HG LEU A 63 1.966 2.458 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.897 0.189 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.151 0.119 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.743 -0.062 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.865 2.145 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.714 1.908 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.816 3.485 5.183 1.00 0.00 H new ATOM 959 N MET A 64 -0.493 5.326 6.247 1.00 0.00 N ATOM 960 CA MET A 64 -0.105 6.764 6.346 1.00 0.00 C ATOM 961 C MET A 64 -0.840 7.427 7.518 1.00 0.00 C ATOM 962 O MET A 64 -0.220 8.048 8.367 1.00 0.00 O ATOM 963 CB MET A 64 -0.459 7.487 5.038 1.00 0.00 C ATOM 964 CG MET A 64 0.312 8.810 4.953 1.00 0.00 C ATOM 965 SD MET A 64 -0.861 10.181 4.811 1.00 0.00 S ATOM 966 CE MET A 64 -1.373 9.870 3.103 1.00 0.00 C ATOM 0 H MET A 64 -1.177 5.111 5.522 1.00 0.00 H new ATOM 0 HA MET A 64 0.969 6.831 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.212 6.856 4.184 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.532 7.677 4.995 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.934 8.939 5.839 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.981 8.799 4.093 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.614 10.816 2.617 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.562 9.381 2.563 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.252 9.226 3.098 1.00 0.00 H new ATOM 976 N ASP A 65 -2.155 7.304 7.561 1.00 0.00 N ATOM 977 CA ASP A 65 -2.950 7.933 8.671 1.00 0.00 C ATOM 978 C ASP A 65 -2.911 7.068 9.934 1.00 0.00 C ATOM 979 O ASP A 65 -3.115 7.571 11.028 1.00 0.00 O ATOM 980 CB ASP A 65 -4.414 8.234 8.247 1.00 0.00 C ATOM 981 CG ASP A 65 -4.443 9.540 7.453 1.00 0.00 C ATOM 982 OD1 ASP A 65 -4.587 10.582 8.071 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.323 9.475 6.241 1.00 0.00 O ATOM 0 H ASP A 65 -2.709 6.794 6.873 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.480 8.890 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.806 7.417 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.052 8.314 9.127 1.00 0.00 H new ATOM 988 N GLY A 66 -2.669 5.776 9.796 1.00 0.00 N ATOM 989 CA GLY A 66 -2.639 4.876 10.991 1.00 0.00 C ATOM 990 C GLY A 66 -4.073 4.481 11.348 1.00 0.00 C ATOM 991 O GLY A 66 -4.995 5.264 11.200 1.00 0.00 O ATOM 0 H GLY A 66 -2.492 5.313 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.045 3.987 10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.166 5.382 11.833 1.00 0.00 H new ATOM 995 N VAL A 67 -4.254 3.263 11.808 1.00 0.00 N ATOM 996 CA VAL A 67 -5.618 2.765 12.182 1.00 0.00 C ATOM 997 C VAL A 67 -5.650 2.429 13.672 1.00 0.00 C ATOM 998 O VAL A 67 -4.622 2.215 14.288 1.00 0.00 O ATOM 999 CB VAL A 67 -5.965 1.516 11.358 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.918 0.425 11.598 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -7.353 0.988 11.753 1.00 0.00 C ATOM 0 H VAL A 67 -3.504 2.585 11.941 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.353 3.542 11.972 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.972 1.786 10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.171 -0.458 11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.936 0.791 11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.901 0.164 12.656 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.587 0.103 11.162 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.356 0.729 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.102 1.758 11.566 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.832 2.386 14.239 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.973 2.069 15.688 1.00 0.00 C ATOM 1013 C VAL A 68 -7.705 0.733 15.814 1.00 0.00 C ATOM 1014 O VAL A 68 -8.380 0.286 14.901 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.735 3.196 16.415 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.131 2.758 17.839 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.825 4.422 16.517 1.00 0.00 C ATOM 0 H VAL A 68 -7.711 2.559 13.752 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.992 1.991 16.156 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.639 3.428 15.851 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.667 3.568 18.333 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.773 1.879 17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.233 2.517 18.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.354 5.226 17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.927 4.163 17.078 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.545 4.752 15.516 1.00 0.00 H new ATOM 1027 N THR A 69 -7.512 0.091 16.933 1.00 0.00 N ATOM 1028 CA THR A 69 -8.106 -1.247 17.182 1.00 0.00 C ATOM 1029 C THR A 69 -9.076 -1.176 18.353 1.00 0.00 C ATOM 1030 O THR A 69 -9.049 -0.253 19.145 1.00 0.00 O ATOM 1031 CB THR A 69 -6.994 -2.258 17.475 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.143 -1.749 18.487 1.00 0.00 O ATOM 1033 CG2 THR A 69 -6.182 -2.505 16.203 1.00 0.00 C ATOM 0 H THR A 69 -6.951 0.451 17.705 1.00 0.00 H new ATOM 0 HA THR A 69 -8.653 -1.568 16.295 1.00 0.00 H new ATOM 0 HB THR A 69 -7.437 -3.195 17.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.536 -1.083 18.100 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.390 -3.225 16.411 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.836 -2.899 15.425 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.741 -1.567 15.865 1.00 0.00 H new ATOM 1041 N SER A 70 -9.954 -2.138 18.414 1.00 0.00 N ATOM 1042 CA SER A 70 -10.995 -2.202 19.480 1.00 0.00 C ATOM 1043 C SER A 70 -10.340 -2.347 20.854 1.00 0.00 C ATOM 1044 O SER A 70 -10.866 -1.887 21.855 1.00 0.00 O ATOM 1045 CB SER A 70 -11.885 -3.410 19.198 1.00 0.00 C ATOM 1046 OG SER A 70 -12.884 -3.512 20.202 1.00 0.00 O ATOM 0 H SER A 70 -9.994 -2.908 17.747 1.00 0.00 H new ATOM 0 HA SER A 70 -11.586 -1.286 19.481 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.350 -3.310 18.217 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.284 -4.319 19.175 1.00 0.00 H new ATOM 0 HG SER A 70 -13.455 -4.287 20.018 1.00 0.00 H new ATOM 1052 N SER A 71 -9.201 -2.981 20.888 1.00 0.00 N ATOM 1053 CA SER A 71 -8.455 -3.190 22.170 1.00 0.00 C ATOM 1054 C SER A 71 -7.885 -1.861 22.681 1.00 0.00 C ATOM 1055 O SER A 71 -7.502 -1.758 23.836 1.00 0.00 O ATOM 1056 CB SER A 71 -7.302 -4.167 21.928 1.00 0.00 C ATOM 1057 OG SER A 71 -6.661 -3.847 20.699 1.00 0.00 O ATOM 0 H SER A 71 -8.743 -3.373 20.065 1.00 0.00 H new ATOM 0 HA SER A 71 -9.141 -3.592 22.915 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.587 -4.113 22.749 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.678 -5.190 21.899 1.00 0.00 H new ATOM 0 HG SER A 71 -5.921 -4.471 20.544 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.810 -0.856 21.829 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.246 0.467 22.248 1.00 0.00 C ATOM 1065 C GLY A 72 -5.792 0.584 21.752 1.00 0.00 C ATOM 1066 O GLY A 72 -5.076 1.483 22.160 1.00 0.00 O ATOM 0 H GLY A 72 -8.118 -0.901 20.858 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.848 1.278 21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.280 0.562 23.333 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.353 -0.319 20.880 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.946 -0.267 20.359 1.00 0.00 C ATOM 1072 C GLN A 73 -3.942 0.405 18.988 1.00 0.00 C ATOM 1073 O GLN A 73 -4.950 0.434 18.318 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.386 -1.685 20.231 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.574 -2.435 21.552 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.034 -3.858 21.410 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -2.290 -4.326 22.249 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -3.379 -4.570 20.372 1.00 0.00 N ATOM 0 H GLN A 73 -5.917 -1.086 20.513 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.326 0.302 21.051 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.893 -2.215 19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.328 -1.647 19.971 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.052 -1.915 22.355 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.630 -2.460 21.821 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.004 -4.176 19.668 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.024 -5.520 20.265 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.815 0.941 18.571 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.735 1.616 17.243 1.00 0.00 C ATOM 1089 C HIS A 74 -1.785 0.818 16.356 1.00 0.00 C ATOM 1090 O HIS A 74 -0.928 0.100 16.847 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.168 3.019 17.420 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.226 3.963 17.928 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.247 5.303 17.568 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.295 3.788 18.773 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.295 5.874 18.188 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.969 4.995 18.935 1.00 0.00 N ATOM 0 H HIS A 74 -1.944 0.937 19.102 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.727 1.674 16.795 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.332 2.993 18.119 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.777 3.381 16.469 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.571 2.855 19.241 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.560 6.917 18.093 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.799 5.171 19.502 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.943 0.933 15.057 1.00 0.00 N ATOM 1105 CA GLU A 75 -1.067 0.175 14.111 1.00 0.00 C ATOM 1106 C GLU A 75 -0.704 1.048 12.916 1.00 0.00 C ATOM 1107 O GLU A 75 -1.077 2.208 12.846 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.785 -1.085 13.610 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.419 -1.841 14.782 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.326 -2.523 15.606 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.506 -3.208 15.016 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -1.329 -2.354 16.814 1.00 0.00 O ATOM 0 H GLU A 75 -2.646 1.523 14.611 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.160 -0.113 14.643 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.554 -0.810 12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.078 -1.732 13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.984 -1.151 15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.124 -2.584 14.409 1.00 0.00 H new ATOM 1119 N GLY A 76 0.036 0.486 11.980 1.00 0.00 N ATOM 1120 CA GLY A 76 0.464 1.242 10.763 1.00 0.00 C ATOM 1121 C GLY A 76 1.119 2.562 11.176 1.00 0.00 C ATOM 1122 O GLY A 76 1.802 2.638 12.185 1.00 0.00 O ATOM 0 H GLY A 76 0.363 -0.480 12.014 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.165 0.644 10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.397 1.437 10.123 1.00 0.00 H new ATOM 1126 N ARG A 77 0.899 3.593 10.398 1.00 0.00 N ATOM 1127 CA ARG A 77 1.480 4.941 10.704 1.00 0.00 C ATOM 1128 C ARG A 77 3.012 4.836 10.852 1.00 0.00 C ATOM 1129 O ARG A 77 3.635 5.673 11.489 1.00 0.00 O ATOM 1130 CB ARG A 77 0.869 5.456 12.014 1.00 0.00 C ATOM 1131 CG ARG A 77 0.945 6.986 12.060 1.00 0.00 C ATOM 1132 CD ARG A 77 1.205 7.451 13.498 1.00 0.00 C ATOM 1133 NE ARG A 77 2.614 7.919 13.622 1.00 0.00 N ATOM 1134 CZ ARG A 77 3.023 8.476 14.730 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.424 9.543 15.183 1.00 0.00 N ATOM 1136 NH2 ARG A 77 4.031 7.965 15.385 1.00 0.00 N ATOM 0 H ARG A 77 0.333 3.559 9.550 1.00 0.00 H new ATOM 0 HA ARG A 77 1.254 5.630 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.169 5.132 12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.401 5.031 12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.741 7.339 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.014 7.417 11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.519 8.256 13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.019 6.634 14.195 1.00 0.00 H new ATOM 0 HE ARG A 77 3.260 7.804 12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.637 9.942 14.672 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.743 9.978 16.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.499 7.131 15.031 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.350 8.400 16.250 1.00 0.00 H new ATOM 1150 N LEU A 78 3.616 3.808 10.276 1.00 0.00 N ATOM 1151 CA LEU A 78 5.095 3.619 10.381 1.00 0.00 C ATOM 1152 C LEU A 78 5.827 4.401 9.282 1.00 0.00 C ATOM 1153 O LEU A 78 7.032 4.578 9.361 1.00 0.00 O ATOM 1154 CB LEU A 78 5.421 2.129 10.249 1.00 0.00 C ATOM 1155 CG LEU A 78 4.867 1.369 11.468 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.098 0.131 11.002 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.023 0.935 12.375 1.00 0.00 C ATOM 0 H LEU A 78 3.134 3.091 9.735 1.00 0.00 H new ATOM 0 HA LEU A 78 5.427 3.993 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.987 1.731 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.499 1.987 10.179 1.00 0.00 H new ATOM 0 HG LEU A 78 4.196 2.026 12.021 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.708 -0.403 11.869 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.270 0.436 10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.767 -0.524 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.627 0.397 13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.697 0.283 11.819 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.568 1.815 12.716 1.00 0.00 H new ATOM 1169 N LEU A 79 5.119 4.876 8.265 1.00 0.00 N ATOM 1170 CA LEU A 79 5.787 5.651 7.173 1.00 0.00 C ATOM 1171 C LEU A 79 6.420 6.905 7.780 1.00 0.00 C ATOM 1172 O LEU A 79 5.771 7.930 7.937 1.00 0.00 O ATOM 1173 CB LEU A 79 4.756 6.039 6.106 1.00 0.00 C ATOM 1174 CG LEU A 79 5.383 5.894 4.719 1.00 0.00 C ATOM 1175 CD1 LEU A 79 5.323 4.428 4.288 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.615 6.754 3.713 1.00 0.00 C ATOM 0 H LEU A 79 4.112 4.755 8.154 1.00 0.00 H new ATOM 0 HA LEU A 79 6.559 5.043 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.875 5.403 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.424 7.065 6.262 1.00 0.00 H new ATOM 0 HG LEU A 79 6.421 6.223 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.769 4.321 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.873 3.816 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.284 4.101 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.065 6.648 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.575 6.429 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.657 7.799 4.021 1.00 0.00 H new ATOM 1188 N GLN A 80 7.682 6.810 8.141 1.00 0.00 N ATOM 1189 CA GLN A 80 8.393 7.965 8.766 1.00 0.00 C ATOM 1190 C GLN A 80 9.838 8.018 8.283 1.00 0.00 C ATOM 1191 O GLN A 80 10.262 7.233 7.452 1.00 0.00 O ATOM 1192 CB GLN A 80 8.379 7.806 10.289 1.00 0.00 C ATOM 1193 CG GLN A 80 7.024 8.259 10.843 1.00 0.00 C ATOM 1194 CD GLN A 80 7.234 8.998 12.166 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.323 8.385 13.211 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.319 10.301 12.166 1.00 0.00 N ATOM 0 H GLN A 80 8.251 5.971 8.026 1.00 0.00 H new ATOM 0 HA GLN A 80 7.886 8.887 8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.563 6.766 10.557 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.180 8.396 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.525 8.911 10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.375 7.397 10.995 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.244 10.817 11.289 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.460 10.803 13.043 1.00 0.00 H new ATOM 1205 N ASP A 81 10.576 8.962 8.806 1.00 0.00 N ATOM 1206 CA ASP A 81 12.004 9.153 8.427 1.00 0.00 C ATOM 1207 C ASP A 81 12.808 7.858 8.607 1.00 0.00 C ATOM 1208 O ASP A 81 12.677 7.151 9.592 1.00 0.00 O ATOM 1209 CB ASP A 81 12.607 10.252 9.313 1.00 0.00 C ATOM 1210 CG ASP A 81 12.010 11.606 8.923 1.00 0.00 C ATOM 1211 OD1 ASP A 81 12.547 12.231 8.024 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.027 11.996 9.533 1.00 0.00 O ATOM 0 H ASP A 81 10.236 9.627 9.501 1.00 0.00 H new ATOM 0 HA ASP A 81 12.050 9.437 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.402 10.041 10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.691 10.273 9.198 1.00 0.00 H new ATOM 1217 N LEU A 82 13.664 7.594 7.655 1.00 0.00 N ATOM 1218 CA LEU A 82 14.570 6.402 7.672 1.00 0.00 C ATOM 1219 C LEU A 82 15.994 6.913 7.368 1.00 0.00 C ATOM 1220 O LEU A 82 16.142 8.059 6.963 1.00 0.00 O ATOM 1221 CB LEU A 82 14.124 5.398 6.591 1.00 0.00 C ATOM 1222 CG LEU A 82 12.974 4.524 7.104 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.408 3.696 5.943 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.497 3.568 8.182 1.00 0.00 C ATOM 0 H LEU A 82 13.778 8.182 6.829 1.00 0.00 H new ATOM 0 HA LEU A 82 14.540 5.897 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.808 5.935 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.966 4.768 6.303 1.00 0.00 H new ATOM 0 HG LEU A 82 12.196 5.163 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.590 3.073 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.039 4.365 5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.193 3.061 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.678 2.947 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.274 2.932 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.911 4.144 9.009 1.00 0.00 H new ATOM 1236 N PRO A 83 17.014 6.085 7.559 1.00 0.00 N ATOM 1237 CA PRO A 83 18.403 6.513 7.293 1.00 0.00 C ATOM 1238 C PRO A 83 18.622 6.710 5.790 1.00 0.00 C ATOM 1239 O PRO A 83 18.832 5.765 5.050 1.00 0.00 O ATOM 1240 CB PRO A 83 19.261 5.384 7.868 1.00 0.00 C ATOM 1241 CG PRO A 83 18.346 4.144 7.949 1.00 0.00 C ATOM 1242 CD PRO A 83 16.903 4.677 8.030 1.00 0.00 C ATOM 0 HA PRO A 83 18.655 7.471 7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.125 5.189 7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.644 5.650 8.853 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.477 3.506 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.587 3.539 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.227 4.097 7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.515 4.625 9.047 1.00 0.00 H new ATOM 1250 N GLY A 84 18.570 7.954 5.356 1.00 0.00 N ATOM 1251 CA GLY A 84 18.770 8.291 3.913 1.00 0.00 C ATOM 1252 C GLY A 84 17.428 8.296 3.157 1.00 0.00 C ATOM 1253 O GLY A 84 17.420 8.378 1.940 1.00 0.00 O ATOM 0 H GLY A 84 18.394 8.760 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.244 9.269 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.446 7.568 3.457 1.00 0.00 H new ATOM 1257 N CYS A 85 16.298 8.217 3.857 1.00 0.00 N ATOM 1258 CA CYS A 85 14.964 8.221 3.151 1.00 0.00 C ATOM 1259 C CYS A 85 13.933 9.042 3.979 1.00 0.00 C ATOM 1260 O CYS A 85 13.268 8.480 4.832 1.00 0.00 O ATOM 1261 CB CYS A 85 14.437 6.780 2.999 1.00 0.00 C ATOM 1262 SG CYS A 85 15.786 5.632 2.639 1.00 0.00 S ATOM 0 H CYS A 85 16.249 8.151 4.874 1.00 0.00 H new ATOM 0 HA CYS A 85 15.096 8.669 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.930 6.476 3.915 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.698 6.742 2.198 1.00 0.00 H new ATOM 1267 N PRO A 86 13.814 10.344 3.721 1.00 0.00 N ATOM 1268 CA PRO A 86 12.860 11.208 4.465 1.00 0.00 C ATOM 1269 C PRO A 86 11.417 10.956 4.026 1.00 0.00 C ATOM 1270 O PRO A 86 11.174 10.374 2.982 1.00 0.00 O ATOM 1271 CB PRO A 86 13.275 12.635 4.085 1.00 0.00 C ATOM 1272 CG PRO A 86 14.069 12.524 2.766 1.00 0.00 C ATOM 1273 CD PRO A 86 14.585 11.075 2.680 1.00 0.00 C ATOM 0 HA PRO A 86 12.893 11.017 5.538 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.400 13.273 3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.886 13.083 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.435 12.760 1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.898 13.231 2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.416 10.651 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.657 11.023 2.870 1.00 0.00 H new ATOM 1281 N ARG A 87 10.458 11.425 4.811 1.00 0.00 N ATOM 1282 CA ARG A 87 9.013 11.267 4.463 1.00 0.00 C ATOM 1283 C ARG A 87 8.771 11.700 3.019 1.00 0.00 C ATOM 1284 O ARG A 87 7.837 11.262 2.383 1.00 0.00 O ATOM 1285 CB ARG A 87 8.184 12.198 5.343 1.00 0.00 C ATOM 1286 CG ARG A 87 8.370 11.851 6.820 1.00 0.00 C ATOM 1287 CD ARG A 87 7.041 11.372 7.415 1.00 0.00 C ATOM 1288 NE ARG A 87 5.991 12.405 7.188 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.941 12.448 7.963 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.166 11.403 8.072 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.665 13.535 8.630 1.00 0.00 N ATOM 0 H ARG A 87 10.629 11.916 5.688 1.00 0.00 H new ATOM 0 HA ARG A 87 8.736 10.222 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.480 13.232 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.130 12.118 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.127 11.075 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.729 12.724 7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.744 10.429 6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.156 11.184 8.482 1.00 0.00 H new ATOM 0 HE ARG A 87 6.092 13.078 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.381 10.552 7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.346 11.437 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.270 14.352 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.845 13.568 9.235 1.00 0.00 H new ATOM 1305 N GLN A 88 9.589 12.606 2.539 1.00 0.00 N ATOM 1306 CA GLN A 88 9.419 13.155 1.151 1.00 0.00 C ATOM 1307 C GLN A 88 9.519 12.064 0.068 1.00 0.00 C ATOM 1308 O GLN A 88 8.707 12.026 -0.848 1.00 0.00 O ATOM 1309 CB GLN A 88 10.505 14.204 0.902 1.00 0.00 C ATOM 1310 CG GLN A 88 10.188 14.982 -0.376 1.00 0.00 C ATOM 1311 CD GLN A 88 10.954 16.307 -0.368 1.00 0.00 C ATOM 1312 OE1 GLN A 88 12.167 16.319 -0.308 1.00 0.00 O ATOM 1313 NE2 GLN A 88 10.292 17.430 -0.427 1.00 0.00 N ATOM 0 H GLN A 88 10.378 12.995 3.055 1.00 0.00 H new ATOM 0 HA GLN A 88 8.422 13.591 1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.565 14.887 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.478 13.720 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.465 14.394 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.116 15.169 -0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.273 17.419 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.793 18.318 -0.423 1.00 0.00 H new ATOM 1322 N VAL A 89 10.521 11.217 0.140 1.00 0.00 N ATOM 1323 CA VAL A 89 10.730 10.163 -0.898 1.00 0.00 C ATOM 1324 C VAL A 89 9.649 9.090 -0.831 1.00 0.00 C ATOM 1325 O VAL A 89 9.176 8.628 -1.859 1.00 0.00 O ATOM 1326 CB VAL A 89 12.096 9.541 -0.652 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.417 8.516 -1.738 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.127 10.650 -0.676 1.00 0.00 C ATOM 0 H VAL A 89 11.213 11.215 0.889 1.00 0.00 H new ATOM 0 HA VAL A 89 10.676 10.612 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 89 12.104 9.031 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.398 8.080 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.662 7.730 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.420 9.006 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.118 10.230 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.108 11.143 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.899 11.376 0.104 1.00 0.00 H new ATOM 1338 N GLN A 90 9.269 8.689 0.356 1.00 0.00 N ATOM 1339 CA GLN A 90 8.219 7.631 0.490 1.00 0.00 C ATOM 1340 C GLN A 90 6.849 8.214 0.140 1.00 0.00 C ATOM 1341 O GLN A 90 5.956 7.490 -0.268 1.00 0.00 O ATOM 1342 CB GLN A 90 8.206 7.046 1.909 1.00 0.00 C ATOM 1343 CG GLN A 90 7.999 8.148 2.949 1.00 0.00 C ATOM 1344 CD GLN A 90 8.810 7.814 4.204 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.272 7.750 5.291 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.093 7.596 4.096 1.00 0.00 N ATOM 0 H GLN A 90 9.639 9.047 1.237 1.00 0.00 H new ATOM 0 HA GLN A 90 8.451 6.822 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.411 6.305 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.146 6.529 2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.313 9.110 2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.941 8.236 3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.544 7.650 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.644 7.372 4.925 1.00 0.00 H new ATOM 1355 N ARG A 91 6.681 9.515 0.294 1.00 0.00 N ATOM 1356 CA ARG A 91 5.363 10.158 -0.035 1.00 0.00 C ATOM 1357 C ARG A 91 5.231 10.352 -1.552 1.00 0.00 C ATOM 1358 O ARG A 91 4.141 10.256 -2.094 1.00 0.00 O ATOM 1359 CB ARG A 91 5.237 11.512 0.675 1.00 0.00 C ATOM 1360 CG ARG A 91 3.762 11.788 0.984 1.00 0.00 C ATOM 1361 CD ARG A 91 3.342 10.992 2.223 1.00 0.00 C ATOM 1362 NE ARG A 91 1.858 11.030 2.360 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.297 11.899 3.155 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.674 11.983 4.401 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.359 12.687 2.705 1.00 0.00 N ATOM 0 H ARG A 91 7.400 10.155 0.633 1.00 0.00 H new ATOM 0 HA ARG A 91 4.564 9.503 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.819 11.507 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.643 12.304 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.608 12.854 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.142 11.509 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.684 9.960 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.811 11.411 3.113 1.00 0.00 H new ATOM 0 HE ARG A 91 1.281 10.376 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.408 11.369 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.235 12.663 5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.064 12.624 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.079 13.366 3.328 1.00 0.00 H new ATOM 1379 N ALA A 92 6.328 10.631 -2.235 1.00 0.00 N ATOM 1380 CA ALA A 92 6.276 10.846 -3.720 1.00 0.00 C ATOM 1381 C ALA A 92 6.168 9.497 -4.442 1.00 0.00 C ATOM 1382 O ALA A 92 5.401 9.351 -5.380 1.00 0.00 O ATOM 1383 CB ALA A 92 7.547 11.567 -4.173 1.00 0.00 C ATOM 0 H ALA A 92 7.257 10.718 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 92 5.403 11.451 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.512 11.724 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.619 12.530 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.418 10.961 -3.923 1.00 0.00 H new ATOM 1389 N PHE A 93 6.943 8.526 -4.011 1.00 0.00 N ATOM 1390 CA PHE A 93 6.923 7.163 -4.642 1.00 0.00 C ATOM 1391 C PHE A 93 5.704 6.359 -4.147 1.00 0.00 C ATOM 1392 O PHE A 93 5.251 5.446 -4.816 1.00 0.00 O ATOM 1393 CB PHE A 93 8.224 6.429 -4.273 1.00 0.00 C ATOM 1394 CG PHE A 93 8.181 4.988 -4.745 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.542 4.013 -3.964 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.774 4.633 -5.959 1.00 0.00 C ATOM 1397 CE1 PHE A 93 7.500 2.684 -4.403 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.732 3.303 -6.397 1.00 0.00 C ATOM 1399 CZ PHE A 93 8.095 2.329 -5.618 1.00 0.00 C ATOM 0 H PHE A 93 7.599 8.622 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 93 6.848 7.264 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.075 6.939 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.370 6.459 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.083 4.287 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.265 5.384 -6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.008 1.933 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.191 3.029 -7.335 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.063 1.304 -5.955 1.00 0.00 H new ATOM 1409 N ALA A 94 5.208 6.674 -2.967 1.00 0.00 N ATOM 1410 CA ALA A 94 4.049 5.930 -2.367 1.00 0.00 C ATOM 1411 C ALA A 94 2.925 5.646 -3.393 1.00 0.00 C ATOM 1412 O ALA A 94 2.499 4.510 -3.498 1.00 0.00 O ATOM 1413 CB ALA A 94 3.479 6.742 -1.201 1.00 0.00 C ATOM 0 H ALA A 94 5.567 7.431 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 94 4.423 4.966 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.637 6.206 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.252 6.886 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.142 7.713 -1.564 1.00 0.00 H new ATOM 1419 N PRO A 95 2.460 6.667 -4.109 1.00 0.00 N ATOM 1420 CA PRO A 95 1.371 6.493 -5.098 1.00 0.00 C ATOM 1421 C PRO A 95 1.858 5.708 -6.321 1.00 0.00 C ATOM 1422 O PRO A 95 2.934 5.133 -6.301 1.00 0.00 O ATOM 1423 CB PRO A 95 0.952 7.924 -5.448 1.00 0.00 C ATOM 1424 CG PRO A 95 2.141 8.833 -5.069 1.00 0.00 C ATOM 1425 CD PRO A 95 2.965 8.060 -4.021 1.00 0.00 C ATOM 0 HA PRO A 95 0.533 5.913 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.719 8.012 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.054 8.211 -4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.747 9.065 -5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.790 9.782 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.032 8.110 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.823 8.472 -3.022 1.00 0.00 H new ATOM 1433 N LYS A 96 1.048 5.653 -7.362 1.00 0.00 N ATOM 1434 CA LYS A 96 1.413 4.877 -8.594 1.00 0.00 C ATOM 1435 C LYS A 96 1.584 3.388 -8.231 1.00 0.00 C ATOM 1436 O LYS A 96 2.239 2.641 -8.940 1.00 0.00 O ATOM 1437 CB LYS A 96 2.716 5.424 -9.190 1.00 0.00 C ATOM 1438 CG LYS A 96 2.465 6.802 -9.824 1.00 0.00 C ATOM 1439 CD LYS A 96 2.798 6.758 -11.319 1.00 0.00 C ATOM 1440 CE LYS A 96 1.607 6.189 -12.093 1.00 0.00 C ATOM 1441 NZ LYS A 96 0.564 7.242 -12.244 1.00 0.00 N ATOM 0 H LYS A 96 0.142 6.119 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 96 0.619 4.979 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.476 5.505 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.101 4.734 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.424 7.092 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.076 7.556 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.034 7.759 -11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.682 6.142 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.930 5.839 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.196 5.328 -11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.120 6.951 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.071 7.374 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.012 8.136 -12.528 1.00 0.00 H new ATOM 1455 N LEU A 97 1.013 2.971 -7.115 1.00 0.00 N ATOM 1456 CA LEU A 97 1.135 1.543 -6.647 1.00 0.00 C ATOM 1457 C LEU A 97 0.271 0.574 -7.491 1.00 0.00 C ATOM 1458 O LEU A 97 0.795 -0.352 -8.090 1.00 0.00 O ATOM 1459 CB LEU A 97 0.688 1.465 -5.183 1.00 0.00 C ATOM 1460 CG LEU A 97 1.617 0.532 -4.403 1.00 0.00 C ATOM 1461 CD1 LEU A 97 1.769 1.046 -2.970 1.00 0.00 C ATOM 1462 CD2 LEU A 97 1.021 -0.877 -4.377 1.00 0.00 C ATOM 0 H LEU A 97 0.460 3.569 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 97 2.176 1.240 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.699 2.459 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.338 1.102 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 97 2.594 0.505 -4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.431 0.382 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.193 2.050 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.792 1.073 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.683 -1.542 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.044 -0.850 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.911 -1.244 -5.397 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.045 0.751 -7.517 1.00 0.00 N ATOM 1475 CA VAL A 98 -1.949 -0.172 -8.287 1.00 0.00 C ATOM 1476 C VAL A 98 -2.022 0.208 -9.785 1.00 0.00 C ATOM 1477 O VAL A 98 -3.056 0.062 -10.426 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.336 -0.090 -7.671 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.226 -0.429 -6.194 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -3.896 1.329 -7.837 1.00 0.00 C ATOM 0 H VAL A 98 -1.528 1.506 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.551 -1.185 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.007 -0.791 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.213 -0.375 -5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.827 -1.437 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.559 0.282 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.890 1.382 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.238 2.041 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.958 1.574 -8.897 1.00 0.00 H new ATOM 1490 N THR A 99 -0.938 0.676 -10.338 1.00 0.00 N ATOM 1491 CA THR A 99 -0.906 1.046 -11.790 1.00 0.00 C ATOM 1492 C THR A 99 -0.052 0.019 -12.532 1.00 0.00 C ATOM 1493 O THR A 99 0.520 -0.860 -11.911 1.00 0.00 O ATOM 1494 CB THR A 99 -0.308 2.456 -11.960 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.092 2.427 -11.707 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.970 3.413 -10.978 1.00 0.00 C ATOM 0 H THR A 99 -0.058 0.821 -9.842 1.00 0.00 H new ATOM 0 HA THR A 99 -1.917 1.050 -12.197 1.00 0.00 H new ATOM 0 HB THR A 99 -0.484 2.792 -12.982 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.252 2.512 -10.744 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.546 4.410 -11.099 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.042 3.449 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.796 3.067 -9.959 1.00 0.00 H new ATOM 1504 N GLU A 100 0.029 0.098 -13.848 1.00 0.00 N ATOM 1505 CA GLU A 100 0.847 -0.898 -14.610 1.00 0.00 C ATOM 1506 C GLU A 100 2.339 -0.877 -14.176 1.00 0.00 C ATOM 1507 O GLU A 100 3.114 -1.664 -14.697 1.00 0.00 O ATOM 1508 CB GLU A 100 0.755 -0.581 -16.108 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.291 -1.486 -16.767 1.00 0.00 C ATOM 1510 CD GLU A 100 0.396 -2.733 -17.328 1.00 0.00 C ATOM 1511 OE1 GLU A 100 1.343 -2.575 -18.081 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.037 -3.824 -16.996 1.00 0.00 O ATOM 0 H GLU A 100 -0.434 0.806 -14.418 1.00 0.00 H new ATOM 0 HA GLU A 100 0.450 -1.891 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.486 0.465 -16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.726 -0.728 -16.581 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.050 -1.772 -16.039 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.802 -0.948 -17.566 1.00 0.00 H new ATOM 1519 N VAL A 101 2.768 0.001 -13.257 1.00 0.00 N ATOM 1520 CA VAL A 101 4.211 0.024 -12.856 1.00 0.00 C ATOM 1521 C VAL A 101 4.452 -0.810 -11.585 1.00 0.00 C ATOM 1522 O VAL A 101 5.574 -0.867 -11.105 1.00 0.00 O ATOM 1523 CB VAL A 101 4.641 1.472 -12.594 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.154 1.524 -12.371 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.280 2.344 -13.799 1.00 0.00 C ATOM 0 H VAL A 101 2.176 0.685 -12.785 1.00 0.00 H new ATOM 0 HA VAL A 101 4.797 -0.407 -13.668 1.00 0.00 H new ATOM 0 HB VAL A 101 4.126 1.844 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.459 2.554 -12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.417 0.907 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.666 1.149 -13.257 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.587 3.372 -13.609 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.793 1.970 -14.685 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.203 2.311 -13.962 1.00 0.00 H new ATOM 1535 N GLU A 102 3.427 -1.449 -11.029 1.00 0.00 N ATOM 1536 CA GLU A 102 3.638 -2.263 -9.782 1.00 0.00 C ATOM 1537 C GLU A 102 2.687 -3.483 -9.725 1.00 0.00 C ATOM 1538 O GLU A 102 3.036 -4.546 -10.213 1.00 0.00 O ATOM 1539 CB GLU A 102 3.435 -1.363 -8.556 1.00 0.00 C ATOM 1540 CG GLU A 102 4.793 -0.911 -8.012 1.00 0.00 C ATOM 1541 CD GLU A 102 5.516 -2.107 -7.395 1.00 0.00 C ATOM 1542 OE1 GLU A 102 5.150 -2.495 -6.297 1.00 0.00 O ATOM 1543 OE2 GLU A 102 6.423 -2.619 -8.030 1.00 0.00 O ATOM 0 H GLU A 102 2.471 -1.438 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 102 4.656 -2.653 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.834 -0.495 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.886 -1.903 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.394 -0.483 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.656 -0.130 -7.264 1.00 0.00 H new ATOM 1550 N CYS A 103 1.514 -3.355 -9.111 1.00 0.00 N ATOM 1551 CA CYS A 103 0.568 -4.525 -8.995 1.00 0.00 C ATOM 1552 C CYS A 103 -0.875 -4.089 -9.394 1.00 0.00 C ATOM 1553 O CYS A 103 -1.828 -4.338 -8.667 1.00 0.00 O ATOM 1554 CB CYS A 103 0.571 -5.022 -7.534 1.00 0.00 C ATOM 1555 SG CYS A 103 2.265 -5.083 -6.887 1.00 0.00 S ATOM 0 H CYS A 103 1.177 -2.490 -8.688 1.00 0.00 H new ATOM 0 HA CYS A 103 0.891 -5.323 -9.664 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.037 -4.360 -6.917 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.119 -6.012 -7.480 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.044 -3.422 -10.536 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.403 -2.943 -10.988 1.00 0.00 C ATOM 1562 C ASN A 104 -3.505 -3.994 -10.760 1.00 0.00 C ATOM 1563 O ASN A 104 -4.218 -3.931 -9.771 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.312 -2.575 -12.478 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.664 -2.093 -13.030 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.553 -1.718 -12.287 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -3.848 -2.076 -14.324 1.00 0.00 N ATOM 0 H ASN A 104 -0.284 -3.191 -11.176 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.681 -2.074 -10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.564 -1.794 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.975 -3.442 -13.047 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.734 -1.749 -14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.105 -2.389 -14.949 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.645 -4.945 -11.656 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.703 -6.005 -11.499 1.00 0.00 C ATOM 1576 C LEU A 105 -6.109 -5.389 -11.241 1.00 0.00 C ATOM 1577 O LEU A 105 -6.973 -6.047 -10.681 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.324 -6.910 -10.322 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.954 -7.536 -10.574 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.266 -7.800 -9.236 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.128 -8.856 -11.327 1.00 0.00 C ATOM 0 H LEU A 105 -3.071 -5.035 -12.494 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.755 -6.574 -12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.306 -6.332 -9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.074 -7.691 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.345 -6.856 -11.170 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.288 -8.247 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.144 -6.860 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.875 -8.482 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.151 -9.304 -11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.735 -9.538 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.623 -8.669 -12.280 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.355 -4.152 -11.661 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.707 -3.501 -11.464 1.00 0.00 C ATOM 1595 C ALA A 106 -7.936 -3.165 -9.984 1.00 0.00 C ATOM 1596 O ALA A 106 -7.393 -3.809 -9.108 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.814 -4.443 -11.952 1.00 0.00 C ATOM 0 H ALA A 106 -5.669 -3.564 -12.135 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.732 -2.577 -12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.785 -3.969 -11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.669 -4.657 -13.011 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.776 -5.373 -11.385 1.00 0.00 H new ATOM 1603 N THR A 107 -8.737 -2.146 -9.714 1.00 0.00 N ATOM 1604 CA THR A 107 -9.014 -1.728 -8.290 1.00 0.00 C ATOM 1605 C THR A 107 -10.541 -1.652 -8.080 1.00 0.00 C ATOM 1606 O THR A 107 -11.301 -2.156 -8.890 1.00 0.00 O ATOM 1607 CB THR A 107 -8.374 -0.334 -8.022 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.220 0.707 -8.505 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.036 -0.220 -8.749 1.00 0.00 C ATOM 0 H THR A 107 -9.211 -1.586 -10.422 1.00 0.00 H new ATOM 0 HA THR A 107 -8.585 -2.454 -7.600 1.00 0.00 H new ATOM 0 HB THR A 107 -8.234 -0.235 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.679 1.496 -8.717 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.598 0.759 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.360 -0.997 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.193 -0.340 -9.821 1.00 0.00 H new ATOM 1617 N ILE A 108 -10.984 -0.997 -7.016 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.459 -0.842 -6.767 1.00 0.00 C ATOM 1619 C ILE A 108 -13.023 0.064 -7.867 1.00 0.00 C ATOM 1620 O ILE A 108 -14.121 -0.131 -8.359 1.00 0.00 O ATOM 1621 CB ILE A 108 -12.696 -0.195 -5.387 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.205 -0.098 -5.133 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.084 1.215 -5.337 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -14.472 -0.031 -3.629 1.00 0.00 C ATOM 0 H ILE A 108 -10.383 -0.566 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.951 -1.815 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.221 -0.810 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.610 0.787 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -14.712 -0.961 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.262 1.654 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.011 1.152 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.545 1.839 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -15.545 0.038 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.083 -0.929 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -13.979 0.846 -3.211 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.240 1.050 -8.243 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.622 2.025 -9.306 1.00 0.00 C ATOM 1638 C HIS A 109 -12.702 1.357 -10.693 1.00 0.00 C ATOM 1639 O HIS A 109 -13.016 2.026 -11.665 1.00 0.00 O ATOM 1640 CB HIS A 109 -11.549 3.095 -9.358 1.00 0.00 C ATOM 1641 CG HIS A 109 -11.478 3.822 -8.032 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -10.839 3.525 -6.850 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -12.062 5.064 -7.833 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -11.020 4.560 -5.941 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -11.749 5.469 -6.583 1.00 0.00 N flip ATOM 0 H HIS A 109 -11.319 1.220 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.603 2.435 -9.067 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.584 2.643 -9.586 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.767 3.802 -10.158 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -10.311 2.672 -6.668 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.659 5.609 -8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -10.648 4.615 -4.929 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.400 0.066 -10.811 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.434 -0.608 -12.148 1.00 0.00 C ATOM 1655 C GLY A 110 -11.466 0.116 -13.089 1.00 0.00 C ATOM 1656 O GLY A 110 -11.670 0.144 -14.292 1.00 0.00 O ATOM 0 H GLY A 110 -12.134 -0.538 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.152 -1.656 -12.050 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.444 -0.587 -12.556 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.424 0.713 -12.536 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.433 1.459 -13.371 1.00 0.00 C ATOM 1662 C GLY A 111 -7.998 1.229 -12.848 1.00 0.00 C ATOM 1663 O GLY A 111 -7.811 0.526 -11.873 1.00 0.00 O ATOM 0 H GLY A 111 -10.224 0.711 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.504 1.132 -14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.665 2.524 -13.356 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.024 1.821 -13.529 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.591 1.696 -13.176 1.00 0.00 C ATOM 1669 C PRO A 112 -5.189 2.770 -12.160 1.00 0.00 C ATOM 1670 O PRO A 112 -4.274 3.552 -12.382 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.886 1.928 -14.523 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.884 2.705 -15.424 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.254 2.666 -14.722 1.00 0.00 C ATOM 0 HA PRO A 112 -5.339 0.741 -12.716 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.966 2.497 -14.385 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.608 0.979 -14.982 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.553 3.734 -15.566 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.945 2.250 -16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.588 3.666 -14.444 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.022 2.242 -15.369 1.00 0.00 H new ATOM 1681 N PHE A 113 -5.891 2.813 -11.059 1.00 0.00 N ATOM 1682 CA PHE A 113 -5.629 3.838 -9.998 1.00 0.00 C ATOM 1683 C PHE A 113 -6.688 3.682 -8.899 1.00 0.00 C ATOM 1684 O PHE A 113 -7.364 2.668 -8.818 1.00 0.00 O ATOM 1685 CB PHE A 113 -5.768 5.253 -10.632 1.00 0.00 C ATOM 1686 CG PHE A 113 -7.243 5.629 -10.780 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -8.169 4.704 -11.300 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -7.685 6.887 -10.361 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -9.514 5.046 -11.401 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.035 7.221 -10.460 1.00 0.00 C ATOM 1691 CZ PHE A 113 -9.945 6.300 -10.980 1.00 0.00 C ATOM 0 H PHE A 113 -6.652 2.168 -10.843 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.630 3.709 -9.581 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -5.259 5.989 -10.009 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.282 5.271 -11.608 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.835 3.728 -11.621 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.980 7.601 -9.960 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.223 4.339 -11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.376 8.192 -10.134 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.990 6.562 -11.056 1.00 0.00 H new ATOM 1701 N CYS A 114 -6.872 4.722 -8.108 1.00 0.00 N ATOM 1702 CA CYS A 114 -7.940 4.692 -7.068 1.00 0.00 C ATOM 1703 C CYS A 114 -8.548 6.117 -6.891 1.00 0.00 C ATOM 1704 O CYS A 114 -8.144 6.835 -6.009 1.00 0.00 O ATOM 1705 CB CYS A 114 -7.365 4.171 -5.742 1.00 0.00 C ATOM 1706 SG CYS A 114 -8.367 2.865 -4.998 1.00 0.00 S ATOM 0 H CYS A 114 -6.327 5.583 -8.144 1.00 0.00 H new ATOM 0 HA CYS A 114 -8.735 4.017 -7.385 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -6.357 3.794 -5.914 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -7.280 5.000 -5.039 1.00 0.00 H new ATOM 1711 N LEU A 115 -9.507 6.505 -7.749 1.00 0.00 N ATOM 1712 CA LEU A 115 -10.189 7.866 -7.717 1.00 0.00 C ATOM 1713 C LEU A 115 -10.447 8.395 -6.296 1.00 0.00 C ATOM 1714 O LEU A 115 -10.103 7.775 -5.309 1.00 0.00 O ATOM 1715 CB LEU A 115 -11.527 7.778 -8.469 1.00 0.00 C ATOM 1716 CG LEU A 115 -11.802 9.094 -9.226 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -11.968 8.817 -10.723 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -13.085 9.737 -8.690 1.00 0.00 C ATOM 0 H LEU A 115 -9.851 5.902 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.506 8.568 -8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -11.503 6.945 -9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -12.335 7.579 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.959 9.768 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.162 9.753 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.056 8.365 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.805 8.136 -10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.278 10.666 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -13.922 9.054 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.969 9.948 -7.627 1.00 0.00 H new ATOM 1730 N SER A 116 -11.030 9.588 -6.208 1.00 0.00 N ATOM 1731 CA SER A 116 -11.281 10.258 -4.882 1.00 0.00 C ATOM 1732 C SER A 116 -9.911 10.842 -4.441 1.00 0.00 C ATOM 1733 O SER A 116 -9.511 10.725 -3.291 1.00 0.00 O ATOM 1734 CB SER A 116 -11.797 9.242 -3.842 1.00 0.00 C ATOM 1735 OG SER A 116 -12.526 9.930 -2.833 1.00 0.00 O ATOM 0 H SER A 116 -11.344 10.127 -7.015 1.00 0.00 H new ATOM 0 HA SER A 116 -12.043 11.033 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.434 8.501 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.961 8.702 -3.398 1.00 0.00 H new ATOM 0 HG SER A 116 -12.856 9.287 -2.172 1.00 0.00 H new ATOM 1741 N LEU A 117 -9.166 11.436 -5.384 1.00 0.00 N ATOM 1742 CA LEU A 117 -7.810 11.982 -5.077 1.00 0.00 C ATOM 1743 C LEU A 117 -7.907 13.507 -4.799 1.00 0.00 C ATOM 1744 O LEU A 117 -6.920 14.220 -4.908 1.00 0.00 O ATOM 1745 CB LEU A 117 -6.824 11.776 -6.276 1.00 0.00 C ATOM 1746 CG LEU A 117 -7.188 10.619 -7.260 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -7.567 9.322 -6.545 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -8.325 11.027 -8.208 1.00 0.00 C ATOM 0 H LEU A 117 -9.461 11.556 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.435 11.448 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.770 12.706 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.828 11.588 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.282 10.429 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.809 8.557 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.729 8.985 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.433 9.498 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.554 10.199 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.212 11.278 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.018 11.894 -8.793 1.00 0.00 H new ATOM 1760 N LEU A 118 -9.088 14.013 -4.481 1.00 0.00 N ATOM 1761 CA LEU A 118 -9.266 15.493 -4.247 1.00 0.00 C ATOM 1762 C LEU A 118 -8.172 16.112 -3.343 1.00 0.00 C ATOM 1763 O LEU A 118 -7.909 17.299 -3.450 1.00 0.00 O ATOM 1764 CB LEU A 118 -10.669 15.788 -3.682 1.00 0.00 C ATOM 1765 CG LEU A 118 -11.677 15.855 -4.836 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -12.410 14.517 -4.959 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -12.697 16.965 -4.565 1.00 0.00 C ATOM 0 H LEU A 118 -9.938 13.460 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.161 15.970 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.960 15.011 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.662 16.731 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.144 16.066 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.125 14.568 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.689 13.724 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.939 14.305 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.412 17.011 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.225 16.754 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.180 17.921 -4.480 1.00 0.00 H new ATOM 1779 N GLY A 119 -7.528 15.346 -2.475 1.00 0.00 N ATOM 1780 CA GLY A 119 -6.450 15.910 -1.590 1.00 0.00 C ATOM 1781 C GLY A 119 -6.955 17.158 -0.856 1.00 0.00 C ATOM 1782 O GLY A 119 -6.400 18.235 -1.008 1.00 0.00 O ATOM 0 H GLY A 119 -7.708 14.350 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.135 15.158 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.575 16.162 -2.189 1.00 0.00 H new ATOM 1786 N ALA A 120 -7.997 17.013 -0.064 1.00 0.00 N ATOM 1787 CA ALA A 120 -8.560 18.176 0.696 1.00 0.00 C ATOM 1788 C ALA A 120 -9.010 19.266 -0.292 1.00 0.00 C ATOM 1789 O ALA A 120 -8.398 20.320 -0.412 1.00 0.00 O ATOM 1790 CB ALA A 120 -7.486 18.718 1.649 1.00 0.00 C ATOM 0 H ALA A 120 -8.484 16.130 0.088 1.00 0.00 H new ATOM 0 HA ALA A 120 -9.425 17.860 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.887 19.565 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.188 17.934 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.618 19.041 1.074 1.00 0.00 H new ATOM 1796 N GLY A 121 -10.090 19.006 -1.000 1.00 0.00 N ATOM 1797 CA GLY A 121 -10.626 19.995 -1.988 1.00 0.00 C ATOM 1798 C GLY A 121 -10.927 21.322 -1.283 1.00 0.00 C ATOM 1799 O GLY A 121 -10.957 22.366 -1.913 1.00 0.00 O ATOM 0 H GLY A 121 -10.625 18.141 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -9.902 20.153 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.532 19.605 -2.452 1.00 0.00 H new ATOM 1803 N GLU A 122 -11.144 21.281 0.020 1.00 0.00 N ATOM 1804 CA GLU A 122 -11.444 22.531 0.787 1.00 0.00 C ATOM 1805 C GLU A 122 -10.191 23.413 0.821 1.00 0.00 C ATOM 1806 O GLU A 122 -10.238 24.496 0.262 1.00 0.00 O ATOM 1807 CB GLU A 122 -11.863 22.165 2.221 1.00 0.00 C ATOM 1808 CG GLU A 122 -13.242 22.759 2.527 1.00 0.00 C ATOM 1809 CD GLU A 122 -13.097 24.247 2.854 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -12.323 24.566 3.742 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -13.762 25.042 2.211 1.00 0.00 O ATOM 1812 OXT GLU A 122 -9.206 22.988 1.402 1.00 0.00 O ATOM 0 H GLU A 122 -11.125 20.429 0.581 1.00 0.00 H new ATOM 0 HA GLU A 122 -12.257 23.074 0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -11.890 21.081 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.128 22.543 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.904 22.627 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.697 22.234 3.367 1.00 0.00 H new TER 1819 GLU A 122