USER MOD reduce.3.24.130724 H: found=0, std=0, add=1185, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1185 hydrogens (30 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: B 1 FME CE :methyl -157:sc= -0.0326 (180deg=0) USER MOD Set 1.2: C 42 THR OG1 : rot -168:sc= 1.24 USER MOD Set 2.1: A 42 THR OG1 : rot -172:sc= 1.11 USER MOD Set 2.2: C 1 FME CE :methyl -160:sc= -0.0621 (180deg=0) USER MOD Set 3.1: A 1 FME CE :methyl -158:sc= -0.0771 (180deg=0) USER MOD Set 3.2: B 42 THR OG1 : rot 180:sc= 1.19 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0406 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0546) USER MOD Single : A 24 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 30 SER OG : rot 180:sc= 0.0653 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.15) USER MOD Single : A 37 THR OG1 : rot 160:sc= -0.835 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.76) USER MOD Single : A 49 LYS NZ :NH3+ 156:sc= 1.97 (180deg=1.26) USER MOD Single : A 50 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-6.3!) USER MOD Single : A 52 ASN : amide:sc= -2.43! C(o=-2.4!,f=-3.6!) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.05) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : B 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0722) USER MOD Single : B 24 THR OG1 : rot 180:sc= -3.14! USER MOD Single : B 30 SER OG : rot 180:sc= 0.0498 USER MOD Single : B 32 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.05) USER MOD Single : B 37 THR OG1 : rot 160:sc= -0.938 USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.85) USER MOD Single : B 49 LYS NZ :NH3+ 159:sc= 1.79 (180deg=1.17) USER MOD Single : B 50 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-6.2!) USER MOD Single : B 52 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4!) USER MOD Single : B 53 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.962) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : C 14 LYS NZ :NH3+ 173:sc= -0.0104 (180deg=-0.116) USER MOD Single : C 24 THR OG1 : rot 180:sc= -2.72! USER MOD Single : C 30 SER OG : rot 180:sc= 0.0679 USER MOD Single : C 32 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.14) USER MOD Single : C 37 THR OG1 : rot 160:sc= -0.829 USER MOD Single : C 39 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.2) USER MOD Single : C 49 LYS NZ :NH3+ 160:sc= 2.66 (180deg=1.63) USER MOD Single : C 50 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-6.2!) USER MOD Single : C 52 ASN : amide:sc= -2.87! C(o=-2.9!,f=-3.6!) USER MOD Single : C 53 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.11) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 1.545 -11.969 13.524 1.00 0.00 N HETATM 2 CN FME A 1 2.531 -11.227 13.997 1.00 0.00 C HETATM 3 O1 FME A 1 3.440 -11.707 14.672 1.00 0.00 O HETATM 4 CA FME A 1 0.485 -11.385 12.718 1.00 0.00 C HETATM 5 CB FME A 1 -0.209 -12.474 11.899 1.00 0.00 C HETATM 6 CG FME A 1 -1.122 -11.936 10.812 1.00 0.00 C HETATM 7 SD FME A 1 -1.770 -13.246 9.757 1.00 0.00 S HETATM 8 CE FME A 1 -2.554 -12.286 8.468 1.00 0.00 C HETATM 9 C FME A 1 -0.519 -10.674 13.617 1.00 0.00 C HETATM 10 O FME A 1 -1.378 -11.306 14.226 1.00 0.00 O HETATM 0 HG3 FME A 1 -1.951 -11.397 11.270 1.00 0.00 H new HETATM 0 HG2 FME A 1 -0.574 -11.218 10.202 1.00 0.00 H new HETATM 0 HE3 FME A 1 -3.310 -12.893 7.971 1.00 0.00 H new HETATM 0 HE2 FME A 1 -3.025 -11.406 8.905 1.00 0.00 H new HETATM 0 HE1 FME A 1 -1.805 -11.973 7.741 1.00 0.00 H new HETATM 0 HCN FME A 1 2.539 -10.158 13.783 1.00 0.00 H new HETATM 0 HB3 FME A 1 0.549 -13.110 11.442 1.00 0.00 H new HETATM 0 HB2 FME A 1 -0.792 -13.105 12.570 1.00 0.00 H new HETATM 0 HA FME A 1 0.917 -10.656 12.032 1.00 0.00 H new HETATM 0 H FME A 1 1.527 -12.968 13.728 1.00 0.00 H new ATOM 21 N VAL A 2 -0.386 -9.360 13.717 1.00 0.00 N ATOM 22 CA VAL A 2 -1.240 -8.574 14.597 1.00 0.00 C ATOM 23 C VAL A 2 -2.263 -7.774 13.785 1.00 0.00 C ATOM 24 O VAL A 2 -3.128 -7.090 14.334 1.00 0.00 O ATOM 25 CB VAL A 2 -0.390 -7.625 15.473 1.00 0.00 C ATOM 26 CG1 VAL A 2 0.230 -6.518 14.633 1.00 0.00 C ATOM 27 CG2 VAL A 2 -1.208 -7.053 16.621 1.00 0.00 C ATOM 0 H VAL A 2 0.304 -8.815 13.200 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.779 -9.260 15.250 1.00 0.00 H new ATOM 0 HB VAL A 2 0.421 -8.209 15.907 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.823 -5.864 15.273 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.872 -6.957 13.869 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.560 -5.939 14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.582 -6.390 17.218 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.053 -6.492 16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.575 -7.866 17.247 1.00 0.00 H new ATOM 37 N ILE A 3 -2.158 -7.870 12.471 1.00 0.00 N ATOM 38 CA ILE A 3 -3.091 -7.193 11.591 1.00 0.00 C ATOM 39 C ILE A 3 -3.707 -8.189 10.613 1.00 0.00 C ATOM 40 O ILE A 3 -3.003 -9.003 10.011 1.00 0.00 O ATOM 41 CB ILE A 3 -2.424 -6.018 10.826 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.483 -5.186 10.098 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.368 -6.519 9.843 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.932 -3.939 9.441 1.00 0.00 C ATOM 0 H ILE A 3 -1.437 -8.409 11.992 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.879 -6.766 12.211 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.922 -5.386 11.558 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.960 -5.806 9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.258 -4.899 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.921 -5.670 9.325 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.594 -7.061 10.386 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.834 -7.184 9.116 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.740 -3.401 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.481 -3.298 10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.178 -4.218 8.706 1.00 0.00 H new ATOM 56 N ALA A 4 -5.023 -8.146 10.492 1.00 0.00 N ATOM 57 CA ALA A 4 -5.731 -9.005 9.563 1.00 0.00 C ATOM 58 C ALA A 4 -6.529 -8.161 8.584 1.00 0.00 C ATOM 59 O ALA A 4 -6.990 -7.068 8.917 1.00 0.00 O ATOM 60 CB ALA A 4 -6.645 -9.961 10.315 1.00 0.00 C ATOM 0 H ALA A 4 -5.624 -7.521 11.029 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.005 -9.596 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.169 -10.599 9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.050 -10.580 10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.371 -9.390 10.894 1.00 0.00 H new ATOM 66 N THR A 5 -6.677 -8.678 7.371 1.00 0.00 N ATOM 67 CA THR A 5 -7.361 -7.970 6.300 1.00 0.00 C ATOM 68 C THR A 5 -8.834 -7.748 6.637 1.00 0.00 C ATOM 69 O THR A 5 -9.495 -6.907 6.041 1.00 0.00 O ATOM 70 CB THR A 5 -7.241 -8.760 4.981 1.00 0.00 C ATOM 71 OG1 THR A 5 -5.896 -9.239 4.835 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.599 -7.894 3.782 1.00 0.00 C ATOM 0 H THR A 5 -6.327 -9.598 7.104 1.00 0.00 H new ATOM 0 HA THR A 5 -6.886 -6.996 6.184 1.00 0.00 H new ATOM 0 HB THR A 5 -7.939 -9.596 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.817 -9.743 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.504 -8.481 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.625 -7.541 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.924 -7.039 3.736 1.00 0.00 H new ATOM 80 N ASP A 6 -9.323 -8.469 7.639 1.00 0.00 N ATOM 81 CA ASP A 6 -10.728 -8.405 8.022 1.00 0.00 C ATOM 82 C ASP A 6 -11.005 -7.210 8.923 1.00 0.00 C ATOM 83 O ASP A 6 -12.152 -6.952 9.289 1.00 0.00 O ATOM 84 CB ASP A 6 -11.143 -9.690 8.740 1.00 0.00 C ATOM 85 CG ASP A 6 -11.129 -10.895 7.826 1.00 0.00 C ATOM 86 OD1 ASP A 6 -10.044 -11.474 7.615 1.00 0.00 O ATOM 87 OD2 ASP A 6 -12.206 -11.274 7.318 1.00 0.00 O ATOM 0 H ASP A 6 -8.763 -9.108 8.204 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.312 -8.292 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.470 -9.867 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.143 -9.564 9.154 1.00 0.00 H new ATOM 92 N ASP A 7 -9.958 -6.483 9.290 1.00 0.00 N ATOM 93 CA ASP A 7 -10.128 -5.282 10.100 1.00 0.00 C ATOM 94 C ASP A 7 -9.985 -4.033 9.243 1.00 0.00 C ATOM 95 O ASP A 7 -10.372 -2.939 9.650 1.00 0.00 O ATOM 96 CB ASP A 7 -9.092 -5.240 11.228 1.00 0.00 C ATOM 97 CG ASP A 7 -9.154 -6.445 12.142 1.00 0.00 C ATOM 98 OD1 ASP A 7 -9.891 -6.400 13.151 1.00 0.00 O ATOM 99 OD2 ASP A 7 -8.455 -7.438 11.867 1.00 0.00 O ATOM 0 H ASP A 7 -8.992 -6.699 9.044 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.129 -5.310 10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.095 -5.173 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.244 -4.336 11.818 1.00 0.00 H new ATOM 104 N LEU A 8 -9.432 -4.195 8.050 1.00 0.00 N ATOM 105 CA LEU A 8 -9.239 -3.068 7.146 1.00 0.00 C ATOM 106 C LEU A 8 -10.124 -3.207 5.920 1.00 0.00 C ATOM 107 O LEU A 8 -10.378 -2.237 5.204 1.00 0.00 O ATOM 108 CB LEU A 8 -7.773 -2.936 6.735 1.00 0.00 C ATOM 109 CG LEU A 8 -6.843 -2.411 7.831 1.00 0.00 C ATOM 110 CD1 LEU A 8 -6.561 -3.478 8.876 1.00 0.00 C ATOM 111 CD2 LEU A 8 -5.549 -1.904 7.224 1.00 0.00 C ATOM 0 H LEU A 8 -9.110 -5.091 7.685 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.524 -2.160 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.413 -3.912 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.710 -2.269 5.875 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.345 -1.583 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.898 -3.073 9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.497 -3.792 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.086 -4.336 8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.897 -1.533 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.052 -2.717 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.767 -1.096 6.525 1.00 0.00 H new ATOM 123 N GLU A 9 -10.598 -4.418 5.706 1.00 0.00 N ATOM 124 CA GLU A 9 -11.546 -4.705 4.651 1.00 0.00 C ATOM 125 C GLU A 9 -12.648 -5.587 5.209 1.00 0.00 C ATOM 126 O GLU A 9 -12.388 -6.587 5.878 1.00 0.00 O ATOM 127 CB GLU A 9 -10.880 -5.370 3.438 1.00 0.00 C ATOM 128 CG GLU A 9 -9.932 -4.449 2.685 1.00 0.00 C ATOM 129 CD GLU A 9 -9.557 -4.973 1.310 1.00 0.00 C ATOM 130 OE1 GLU A 9 -8.653 -5.827 1.214 1.00 0.00 O ATOM 131 OE2 GLU A 9 -10.151 -4.508 0.312 1.00 0.00 O ATOM 0 H GLU A 9 -10.335 -5.232 6.261 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.965 -3.763 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.330 -6.250 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.654 -5.719 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.396 -3.468 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.025 -4.311 3.274 1.00 0.00 H new ATOM 138 N VAL A 10 -13.873 -5.207 4.935 1.00 0.00 N ATOM 139 CA VAL A 10 -15.027 -5.880 5.483 1.00 0.00 C ATOM 140 C VAL A 10 -15.939 -6.298 4.344 1.00 0.00 C ATOM 141 O VAL A 10 -16.081 -5.577 3.355 1.00 0.00 O ATOM 142 CB VAL A 10 -15.784 -4.975 6.487 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.205 -3.662 5.841 1.00 0.00 C ATOM 144 CG2 VAL A 10 -16.990 -5.699 7.067 1.00 0.00 C ATOM 0 H VAL A 10 -14.098 -4.421 4.325 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.697 -6.762 6.032 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.099 -4.742 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.734 -3.050 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.321 -3.128 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.862 -3.867 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.505 -5.043 7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.671 -5.975 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.659 -6.598 7.586 1.00 0.00 H new ATOM 154 N ALA A 11 -16.530 -7.472 4.466 1.00 0.00 N ATOM 155 CA ALA A 11 -17.383 -7.996 3.422 1.00 0.00 C ATOM 156 C ALA A 11 -18.608 -7.111 3.234 1.00 0.00 C ATOM 157 O ALA A 11 -19.278 -6.735 4.198 1.00 0.00 O ATOM 158 CB ALA A 11 -17.775 -9.425 3.770 1.00 0.00 C ATOM 0 H ALA A 11 -16.433 -8.080 5.280 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.843 -8.001 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.418 -9.827 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.878 -10.038 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.310 -9.435 4.720 1.00 0.00 H new ATOM 164 N CYS A 12 -18.871 -6.776 1.969 1.00 0.00 N ATOM 165 CA CYS A 12 -19.856 -5.778 1.580 1.00 0.00 C ATOM 166 C CYS A 12 -21.281 -6.133 2.038 1.00 0.00 C ATOM 167 O CYS A 12 -21.551 -7.278 2.387 1.00 0.00 O ATOM 168 CB CYS A 12 -19.826 -5.672 0.057 1.00 0.00 C ATOM 169 SG CYS A 12 -20.010 -4.002 -0.593 1.00 0.00 S ATOM 0 H CYS A 12 -18.393 -7.202 1.175 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.600 -4.834 2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -18.883 -6.084 -0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -20.622 -6.295 -0.351 1.00 0.00 H new ATOM 174 N PRO A 13 -22.215 -5.159 2.022 1.00 0.00 N ATOM 175 CA PRO A 13 -23.632 -5.395 2.346 1.00 0.00 C ATOM 176 C PRO A 13 -24.252 -6.603 1.628 1.00 0.00 C ATOM 177 O PRO A 13 -25.114 -7.286 2.184 1.00 0.00 O ATOM 178 CB PRO A 13 -24.297 -4.111 1.851 1.00 0.00 C ATOM 179 CG PRO A 13 -23.275 -3.058 2.064 1.00 0.00 C ATOM 180 CD PRO A 13 -21.961 -3.726 1.747 1.00 0.00 C ATOM 0 HA PRO A 13 -23.761 -5.619 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.575 -4.188 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.210 -3.897 2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.449 -2.200 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.294 -2.690 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.670 -3.564 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.155 -3.337 2.368 1.00 0.00 H new ATOM 188 N LYS A 14 -23.807 -6.876 0.401 1.00 0.00 N ATOM 189 CA LYS A 14 -24.510 -7.841 -0.441 1.00 0.00 C ATOM 190 C LYS A 14 -23.602 -8.605 -1.410 1.00 0.00 C ATOM 191 O LYS A 14 -23.905 -9.739 -1.771 1.00 0.00 O ATOM 192 CB LYS A 14 -25.605 -7.121 -1.238 1.00 0.00 C ATOM 193 CG LYS A 14 -26.350 -8.017 -2.222 1.00 0.00 C ATOM 194 CD LYS A 14 -27.329 -7.221 -3.075 1.00 0.00 C ATOM 195 CE LYS A 14 -27.890 -8.068 -4.207 1.00 0.00 C ATOM 196 NZ LYS A 14 -28.615 -9.267 -3.709 1.00 0.00 N ATOM 0 H LYS A 14 -22.982 -6.453 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.933 -8.583 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.323 -6.690 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.156 -6.293 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.633 -8.524 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.889 -8.790 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.145 -6.857 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.827 -6.345 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.566 -7.462 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.076 -8.383 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.079 -9.748 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.941 -9.917 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.333 -8.975 -3.015 1.00 0.00 H new ATOM 210 N CYS A 15 -22.494 -8.017 -1.852 1.00 0.00 N ATOM 211 CA CYS A 15 -21.757 -8.636 -2.953 1.00 0.00 C ATOM 212 C CYS A 15 -20.361 -9.113 -2.582 1.00 0.00 C ATOM 213 O CYS A 15 -19.428 -8.982 -3.376 1.00 0.00 O ATOM 214 CB CYS A 15 -21.612 -7.600 -4.059 1.00 0.00 C ATOM 215 SG CYS A 15 -20.871 -6.046 -3.502 1.00 0.00 S ATOM 0 H CYS A 15 -22.098 -7.151 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.324 -9.517 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.001 -8.018 -4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.595 -7.393 -4.483 1.00 0.00 H new ATOM 220 N GLU A 16 -20.246 -9.768 -1.445 1.00 0.00 N ATOM 221 CA GLU A 16 -18.966 -10.291 -0.982 1.00 0.00 C ATOM 222 C GLU A 16 -18.810 -11.704 -1.485 1.00 0.00 C ATOM 223 O GLU A 16 -18.125 -12.532 -0.889 1.00 0.00 O ATOM 224 CB GLU A 16 -18.921 -10.307 0.545 1.00 0.00 C ATOM 225 CG GLU A 16 -20.056 -9.556 1.210 1.00 0.00 C ATOM 226 CD GLU A 16 -21.291 -10.414 1.377 1.00 0.00 C ATOM 227 OE1 GLU A 16 -21.402 -11.099 2.414 1.00 0.00 O ATOM 228 OE2 GLU A 16 -22.142 -10.416 0.466 1.00 0.00 O ATOM 0 H GLU A 16 -21.027 -9.955 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.163 -9.656 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.936 -11.342 0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.975 -9.877 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.730 -9.199 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.305 -8.677 0.616 1.00 0.00 H new ATOM 235 N ARG A 17 -19.452 -11.966 -2.607 1.00 0.00 N ATOM 236 CA ARG A 17 -19.699 -13.308 -3.059 1.00 0.00 C ATOM 237 C ARG A 17 -19.712 -13.291 -4.585 1.00 0.00 C ATOM 238 O ARG A 17 -19.541 -14.316 -5.237 1.00 0.00 O ATOM 239 CB ARG A 17 -21.039 -13.796 -2.508 1.00 0.00 C ATOM 240 CG ARG A 17 -22.190 -12.853 -2.825 1.00 0.00 C ATOM 241 CD ARG A 17 -23.391 -13.104 -1.933 1.00 0.00 C ATOM 242 NE ARG A 17 -23.947 -14.439 -2.116 1.00 0.00 N ATOM 243 CZ ARG A 17 -24.890 -14.958 -1.338 1.00 0.00 C ATOM 244 NH1 ARG A 17 -25.369 -14.255 -0.316 1.00 0.00 N ATOM 245 NH2 ARG A 17 -25.353 -16.176 -1.586 1.00 0.00 N ATOM 0 H ARG A 17 -19.816 -11.245 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.924 -13.988 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.259 -14.781 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.960 -13.914 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.858 -11.822 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.481 -12.974 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.100 -12.974 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.160 -12.361 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.592 -15.007 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.012 -13.318 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -26.093 -14.653 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.985 -16.711 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.077 -16.577 -0.990 1.00 0.00 H new ATOM 259 N ALA A 18 -19.937 -12.092 -5.140 1.00 0.00 N ATOM 260 CA ALA A 18 -20.137 -11.946 -6.582 1.00 0.00 C ATOM 261 C ALA A 18 -19.381 -10.755 -7.163 1.00 0.00 C ATOM 262 O ALA A 18 -18.917 -10.802 -8.301 1.00 0.00 O ATOM 263 CB ALA A 18 -21.622 -11.818 -6.890 1.00 0.00 C ATOM 0 H ALA A 18 -19.984 -11.219 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.734 -12.842 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.763 -11.710 -7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -22.144 -12.710 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -22.025 -10.942 -6.381 1.00 0.00 H new ATOM 269 N GLY A 19 -19.268 -9.684 -6.385 1.00 0.00 N ATOM 270 CA GLY A 19 -18.552 -8.510 -6.848 1.00 0.00 C ATOM 271 C GLY A 19 -19.444 -7.507 -7.563 1.00 0.00 C ATOM 272 O GLY A 19 -18.952 -6.615 -8.245 1.00 0.00 O ATOM 0 H GLY A 19 -19.658 -9.608 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.078 -8.022 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.754 -8.822 -7.522 1.00 0.00 H new ATOM 276 N GLU A 20 -20.749 -7.606 -7.342 1.00 0.00 N ATOM 277 CA GLU A 20 -21.715 -6.747 -8.028 1.00 0.00 C ATOM 278 C GLU A 20 -23.018 -6.677 -7.252 1.00 0.00 C ATOM 279 O GLU A 20 -23.259 -7.468 -6.343 1.00 0.00 O ATOM 280 CB GLU A 20 -21.997 -7.229 -9.458 1.00 0.00 C ATOM 281 CG GLU A 20 -21.997 -8.739 -9.610 1.00 0.00 C ATOM 282 CD GLU A 20 -22.254 -9.183 -11.035 1.00 0.00 C ATOM 283 OE1 GLU A 20 -21.885 -8.449 -11.972 1.00 0.00 O ATOM 284 OE2 GLU A 20 -22.834 -10.269 -11.222 1.00 0.00 O ATOM 0 H GLU A 20 -21.166 -8.273 -6.693 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.271 -5.753 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -22.965 -6.842 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -21.248 -6.806 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.036 -9.133 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.759 -9.166 -8.958 1.00 0.00 H new ATOM 291 N ILE A 21 -23.851 -5.730 -7.624 1.00 0.00 N ATOM 292 CA ILE A 21 -25.148 -5.548 -7.005 1.00 0.00 C ATOM 293 C ILE A 21 -26.193 -5.603 -8.093 1.00 0.00 C ATOM 294 O ILE A 21 -26.250 -4.705 -8.923 1.00 0.00 O ATOM 295 CB ILE A 21 -25.271 -4.188 -6.277 1.00 0.00 C ATOM 296 CG1 ILE A 21 -24.198 -4.036 -5.191 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.662 -4.028 -5.675 1.00 0.00 C ATOM 298 CD1 ILE A 21 -24.362 -4.976 -4.013 1.00 0.00 C ATOM 0 H ILE A 21 -23.648 -5.061 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.284 -6.334 -6.262 1.00 0.00 H new ATOM 0 HB ILE A 21 -25.115 -3.401 -7.015 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -23.218 -4.202 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.211 -3.009 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.730 -3.066 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -27.409 -4.074 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -26.843 -4.830 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.562 -4.801 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.325 -4.796 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.317 -6.008 -4.362 1.00 0.00 H new ATOM 310 N GLU A 22 -26.989 -6.658 -8.110 1.00 0.00 N ATOM 311 CA GLU A 22 -28.025 -6.801 -9.123 1.00 0.00 C ATOM 312 C GLU A 22 -27.404 -6.727 -10.527 1.00 0.00 C ATOM 313 O GLU A 22 -27.845 -5.950 -11.372 1.00 0.00 O ATOM 314 CB GLU A 22 -29.054 -5.680 -8.929 1.00 0.00 C ATOM 315 CG GLU A 22 -30.504 -6.107 -9.096 1.00 0.00 C ATOM 316 CD GLU A 22 -30.833 -6.629 -10.479 1.00 0.00 C ATOM 317 OE1 GLU A 22 -30.663 -7.843 -10.719 1.00 0.00 O ATOM 318 OE2 GLU A 22 -31.281 -5.829 -11.329 1.00 0.00 O ATOM 0 H GLU A 22 -26.940 -7.425 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 22 -28.516 -7.769 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -28.927 -5.258 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -28.841 -4.883 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.732 -6.880 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -31.151 -5.258 -8.875 1.00 0.00 H new ATOM 325 N GLY A 23 -26.349 -7.509 -10.754 1.00 0.00 N ATOM 326 CA GLY A 23 -25.690 -7.528 -12.052 1.00 0.00 C ATOM 327 C GLY A 23 -24.966 -6.234 -12.401 1.00 0.00 C ATOM 328 O GLY A 23 -24.386 -6.118 -13.484 1.00 0.00 O ATOM 0 H GLY A 23 -25.937 -8.132 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.974 -8.349 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.433 -7.735 -12.822 1.00 0.00 H new ATOM 332 N THR A 24 -24.985 -5.269 -11.500 1.00 0.00 N ATOM 333 CA THR A 24 -24.428 -3.956 -11.786 1.00 0.00 C ATOM 334 C THR A 24 -23.317 -3.598 -10.780 1.00 0.00 C ATOM 335 O THR A 24 -23.251 -4.177 -9.694 1.00 0.00 O ATOM 336 CB THR A 24 -25.574 -2.914 -11.779 1.00 0.00 C ATOM 337 OG1 THR A 24 -25.373 -1.932 -12.804 1.00 0.00 O ATOM 338 CG2 THR A 24 -25.722 -2.219 -10.430 1.00 0.00 C ATOM 0 H THR A 24 -25.379 -5.368 -10.564 1.00 0.00 H new ATOM 0 HA THR A 24 -23.964 -3.959 -12.772 1.00 0.00 H new ATOM 0 HB THR A 24 -26.495 -3.464 -11.973 1.00 0.00 H new ATOM 0 HG1 THR A 24 -26.108 -1.284 -12.785 1.00 0.00 H new ATOM 0 HG21 THR A 24 -26.539 -1.499 -10.479 1.00 0.00 H new ATOM 0 HG22 THR A 24 -25.938 -2.960 -9.661 1.00 0.00 H new ATOM 0 HG23 THR A 24 -24.795 -1.700 -10.184 1.00 0.00 H new ATOM 346 N PRO A 25 -22.412 -2.663 -11.143 1.00 0.00 N ATOM 347 CA PRO A 25 -21.274 -2.267 -10.295 1.00 0.00 C ATOM 348 C PRO A 25 -21.705 -1.758 -8.919 1.00 0.00 C ATOM 349 O PRO A 25 -22.686 -1.025 -8.783 1.00 0.00 O ATOM 350 CB PRO A 25 -20.593 -1.148 -11.094 1.00 0.00 C ATOM 351 CG PRO A 25 -21.629 -0.684 -12.056 1.00 0.00 C ATOM 352 CD PRO A 25 -22.420 -1.909 -12.406 1.00 0.00 C ATOM 0 HA PRO A 25 -20.622 -3.115 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -20.268 -0.338 -10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.707 -1.515 -11.613 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -22.265 0.081 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -21.173 -0.243 -12.943 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -23.433 -1.661 -12.725 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -21.959 -2.472 -13.218 1.00 0.00 H new ATOM 360 N CYS A 26 -20.953 -2.153 -7.900 1.00 0.00 N ATOM 361 CA CYS A 26 -21.301 -1.856 -6.522 1.00 0.00 C ATOM 362 C CYS A 26 -20.643 -0.567 -6.012 1.00 0.00 C ATOM 363 O CYS A 26 -19.461 -0.334 -6.245 1.00 0.00 O ATOM 364 CB CYS A 26 -20.884 -3.038 -5.656 1.00 0.00 C ATOM 365 SG CYS A 26 -21.227 -2.845 -3.875 1.00 0.00 S ATOM 0 H CYS A 26 -20.090 -2.685 -8.007 1.00 0.00 H new ATOM 0 HA CYS A 26 -22.378 -1.696 -6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -21.396 -3.931 -6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -19.816 -3.208 -5.789 1.00 0.00 H new ATOM 370 N PRO A 27 -21.438 0.249 -5.276 1.00 0.00 N ATOM 371 CA PRO A 27 -21.060 1.561 -4.714 1.00 0.00 C ATOM 372 C PRO A 27 -19.581 1.759 -4.355 1.00 0.00 C ATOM 373 O PRO A 27 -18.967 2.739 -4.767 1.00 0.00 O ATOM 374 CB PRO A 27 -21.889 1.588 -3.432 1.00 0.00 C ATOM 375 CG PRO A 27 -23.149 0.853 -3.755 1.00 0.00 C ATOM 376 CD PRO A 27 -22.847 -0.048 -4.939 1.00 0.00 C ATOM 0 HA PRO A 27 -21.235 2.347 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.356 1.110 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -22.100 2.612 -3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -23.483 0.266 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -23.951 1.550 -3.996 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -22.982 -1.099 -4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.510 0.163 -5.778 1.00 0.00 H new ATOM 384 N ALA A 28 -19.023 0.836 -3.579 1.00 0.00 N ATOM 385 CA ALA A 28 -17.710 1.058 -2.973 1.00 0.00 C ATOM 386 C ALA A 28 -16.742 -0.090 -3.236 1.00 0.00 C ATOM 387 O ALA A 28 -15.566 -0.015 -2.890 1.00 0.00 O ATOM 388 CB ALA A 28 -17.862 1.283 -1.477 1.00 0.00 C ATOM 0 H ALA A 28 -19.451 -0.063 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.284 1.947 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.881 1.448 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.491 2.156 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.324 0.407 -1.022 1.00 0.00 H new ATOM 394 N CYS A 29 -17.232 -1.156 -3.839 1.00 0.00 N ATOM 395 CA CYS A 29 -16.380 -2.289 -4.155 1.00 0.00 C ATOM 396 C CYS A 29 -16.586 -2.690 -5.611 1.00 0.00 C ATOM 397 O CYS A 29 -17.581 -3.334 -5.952 1.00 0.00 O ATOM 398 CB CYS A 29 -16.664 -3.465 -3.199 1.00 0.00 C ATOM 399 SG CYS A 29 -18.279 -4.264 -3.422 1.00 0.00 S ATOM 0 H CYS A 29 -18.207 -1.263 -4.118 1.00 0.00 H new ATOM 0 HA CYS A 29 -15.336 -2.006 -4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.884 -4.215 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.593 -3.104 -2.173 1.00 0.00 H new ATOM 404 N SER A 30 -15.665 -2.282 -6.475 1.00 0.00 N ATOM 405 CA SER A 30 -15.768 -2.536 -7.907 1.00 0.00 C ATOM 406 C SER A 30 -15.405 -3.978 -8.268 1.00 0.00 C ATOM 407 O SER A 30 -14.595 -4.224 -9.162 1.00 0.00 O ATOM 408 CB SER A 30 -14.849 -1.555 -8.636 1.00 0.00 C ATOM 409 OG SER A 30 -13.597 -1.457 -7.971 1.00 0.00 O ATOM 0 H SER A 30 -14.827 -1.767 -6.204 1.00 0.00 H new ATOM 0 HA SER A 30 -16.804 -2.392 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.697 -1.885 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.320 -0.573 -8.683 1.00 0.00 H new ATOM 0 HG SER A 30 -13.020 -0.827 -8.451 1.00 0.00 H new ATOM 415 N GLY A 31 -16.007 -4.929 -7.570 1.00 0.00 N ATOM 416 CA GLY A 31 -15.798 -6.322 -7.894 1.00 0.00 C ATOM 417 C GLY A 31 -14.693 -6.956 -7.081 1.00 0.00 C ATOM 418 O GLY A 31 -13.859 -7.677 -7.622 1.00 0.00 O ATOM 0 H GLY A 31 -16.636 -4.760 -6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.725 -6.871 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.559 -6.411 -8.954 1.00 0.00 H new ATOM 422 N LYS A 32 -14.681 -6.695 -5.778 1.00 0.00 N ATOM 423 CA LYS A 32 -13.712 -7.319 -4.886 1.00 0.00 C ATOM 424 C LYS A 32 -14.432 -8.336 -4.013 1.00 0.00 C ATOM 425 O LYS A 32 -13.962 -9.450 -3.795 1.00 0.00 O ATOM 426 CB LYS A 32 -13.080 -6.280 -3.958 1.00 0.00 C ATOM 427 CG LYS A 32 -12.703 -4.974 -4.622 1.00 0.00 C ATOM 428 CD LYS A 32 -12.131 -4.011 -3.597 1.00 0.00 C ATOM 429 CE LYS A 32 -11.957 -2.619 -4.167 1.00 0.00 C ATOM 430 NZ LYS A 32 -11.003 -2.599 -5.313 1.00 0.00 N ATOM 0 H LYS A 32 -15.330 -6.057 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.938 -7.788 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.776 -6.070 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.186 -6.713 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.971 -5.156 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.579 -4.533 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.791 -3.969 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.168 -4.383 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.924 -2.238 -4.494 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.598 -1.949 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.887 -1.622 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.082 -2.970 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.374 -3.191 -6.084 1.00 0.00 H new ATOM 444 N GLY A 33 -15.589 -7.912 -3.514 1.00 0.00 N ATOM 445 CA GLY A 33 -16.328 -8.666 -2.541 1.00 0.00 C ATOM 446 C GLY A 33 -16.391 -7.898 -1.238 1.00 0.00 C ATOM 447 O GLY A 33 -17.437 -7.824 -0.595 1.00 0.00 O ATOM 0 H GLY A 33 -16.031 -7.032 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.336 -8.862 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.854 -9.634 -2.381 1.00 0.00 H new ATOM 451 N VAL A 34 -15.286 -7.248 -0.894 1.00 0.00 N ATOM 452 CA VAL A 34 -15.186 -6.511 0.359 1.00 0.00 C ATOM 453 C VAL A 34 -15.017 -5.010 0.121 1.00 0.00 C ATOM 454 O VAL A 34 -14.719 -4.572 -0.994 1.00 0.00 O ATOM 455 CB VAL A 34 -13.992 -7.019 1.202 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.174 -8.482 1.580 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.682 -6.827 0.449 1.00 0.00 C ATOM 0 H VAL A 34 -14.443 -7.217 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.118 -6.680 0.898 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.956 -6.431 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.321 -8.814 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.087 -8.596 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.244 -9.086 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.855 -7.190 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.715 -7.385 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.537 -5.768 0.235 1.00 0.00 H new ATOM 467 N ILE A 35 -15.254 -4.239 1.172 1.00 0.00 N ATOM 468 CA ILE A 35 -15.011 -2.800 1.171 1.00 0.00 C ATOM 469 C ILE A 35 -14.088 -2.423 2.327 1.00 0.00 C ATOM 470 O ILE A 35 -13.875 -3.214 3.236 1.00 0.00 O ATOM 471 CB ILE A 35 -16.325 -1.995 1.299 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.155 -2.515 2.476 1.00 0.00 C ATOM 473 CG2 ILE A 35 -17.119 -2.056 0.006 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.428 -1.733 2.727 1.00 0.00 C ATOM 0 H ILE A 35 -15.622 -4.594 2.055 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.544 -2.552 0.218 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.076 -0.951 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.412 -3.558 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.543 -2.491 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.040 -1.483 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.526 -1.635 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.362 -3.094 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -18.958 -2.164 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.180 -0.694 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.063 -1.778 1.842 1.00 0.00 H new ATOM 486 N LEU A 36 -13.552 -1.214 2.286 1.00 0.00 N ATOM 487 CA LEU A 36 -12.559 -0.786 3.269 1.00 0.00 C ATOM 488 C LEU A 36 -13.192 -0.181 4.515 1.00 0.00 C ATOM 489 O LEU A 36 -14.357 0.211 4.518 1.00 0.00 O ATOM 490 CB LEU A 36 -11.595 0.232 2.646 1.00 0.00 C ATOM 491 CG LEU A 36 -10.867 -0.253 1.392 1.00 0.00 C ATOM 492 CD1 LEU A 36 -11.676 0.038 0.136 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.497 0.377 1.305 1.00 0.00 C ATOM 0 H LEU A 36 -13.785 -0.510 1.586 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.015 -1.681 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.154 1.134 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.853 0.512 3.394 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.749 -1.334 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.132 -0.319 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.638 -0.471 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.839 1.112 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.990 0.023 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.597 1.461 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.914 0.102 2.184 1.00 0.00 H new ATOM 505 N THR A 37 -12.388 -0.107 5.570 1.00 0.00 N ATOM 506 CA THR A 37 -12.780 0.541 6.812 1.00 0.00 C ATOM 507 C THR A 37 -12.066 1.882 6.899 1.00 0.00 C ATOM 508 O THR A 37 -11.332 2.219 5.983 1.00 0.00 O ATOM 509 CB THR A 37 -12.392 -0.318 8.035 1.00 0.00 C ATOM 510 OG1 THR A 37 -10.964 -0.472 8.094 1.00 0.00 O ATOM 511 CG2 THR A 37 -13.038 -1.691 7.965 1.00 0.00 C ATOM 0 H THR A 37 -11.445 -0.496 5.586 1.00 0.00 H new ATOM 0 HA THR A 37 -13.862 0.673 6.817 1.00 0.00 H new ATOM 0 HB THR A 37 -12.748 0.193 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.700 -0.725 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.748 -2.275 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.122 -1.582 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.708 -2.203 7.061 1.00 0.00 H new ATOM 519 N ALA A 38 -12.259 2.643 7.969 1.00 0.00 N ATOM 520 CA ALA A 38 -11.602 3.946 8.083 1.00 0.00 C ATOM 521 C ALA A 38 -10.086 3.812 8.067 1.00 0.00 C ATOM 522 O ALA A 38 -9.403 4.581 7.393 1.00 0.00 O ATOM 523 CB ALA A 38 -12.059 4.686 9.322 1.00 0.00 C ATOM 0 H ALA A 38 -12.853 2.390 8.759 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.895 4.531 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.553 5.650 9.378 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.136 4.844 9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.817 4.098 10.207 1.00 0.00 H new ATOM 529 N GLN A 39 -9.554 2.842 8.804 1.00 0.00 N ATOM 530 CA GLN A 39 -8.125 2.561 8.747 1.00 0.00 C ATOM 531 C GLN A 39 -7.712 2.174 7.329 1.00 0.00 C ATOM 532 O GLN A 39 -6.655 2.581 6.847 1.00 0.00 O ATOM 533 CB GLN A 39 -7.742 1.455 9.733 1.00 0.00 C ATOM 534 CG GLN A 39 -6.294 1.012 9.598 1.00 0.00 C ATOM 535 CD GLN A 39 -5.821 0.157 10.753 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.602 -0.547 11.390 1.00 0.00 O ATOM 537 NE2 GLN A 39 -4.528 0.211 11.024 1.00 0.00 N ATOM 0 H GLN A 39 -10.083 2.245 9.440 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.592 3.469 9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.915 1.807 10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.395 0.596 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.177 0.453 8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.657 1.893 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.915 0.809 10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.143 -0.345 11.787 1.00 0.00 H new ATOM 546 N GLY A 40 -8.564 1.404 6.663 1.00 0.00 N ATOM 547 CA GLY A 40 -8.311 1.033 5.290 1.00 0.00 C ATOM 548 C GLY A 40 -8.446 2.216 4.351 1.00 0.00 C ATOM 549 O GLY A 40 -7.781 2.278 3.321 1.00 0.00 O ATOM 0 H GLY A 40 -9.429 1.030 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.308 0.615 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.008 0.251 4.991 1.00 0.00 H new ATOM 553 N TYR A 41 -9.300 3.162 4.717 1.00 0.00 N ATOM 554 CA TYR A 41 -9.471 4.380 3.943 1.00 0.00 C ATOM 555 C TYR A 41 -8.234 5.260 4.040 1.00 0.00 C ATOM 556 O TYR A 41 -7.860 5.921 3.067 1.00 0.00 O ATOM 557 CB TYR A 41 -10.693 5.163 4.445 1.00 0.00 C ATOM 558 CG TYR A 41 -12.046 4.557 4.123 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.249 3.783 2.988 1.00 0.00 C ATOM 560 CD2 TYR A 41 -13.134 4.791 4.956 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.494 3.261 2.694 1.00 0.00 C ATOM 562 CE2 TYR A 41 -14.379 4.268 4.671 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.554 3.504 3.540 1.00 0.00 C ATOM 564 OH TYR A 41 -15.797 2.987 3.248 1.00 0.00 O ATOM 0 H TYR A 41 -9.887 3.107 5.549 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.623 4.098 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.613 5.270 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.656 6.167 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.420 3.586 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.003 5.393 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.636 2.665 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.212 4.457 5.332 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.433 3.250 3.946 1.00 0.00 H new ATOM 574 N THR A 42 -7.584 5.252 5.193 1.00 0.00 N ATOM 575 CA THR A 42 -6.320 5.954 5.348 1.00 0.00 C ATOM 576 C THR A 42 -5.222 5.266 4.542 1.00 0.00 C ATOM 577 O THR A 42 -4.351 5.919 3.960 1.00 0.00 O ATOM 578 CB THR A 42 -5.891 5.988 6.827 1.00 0.00 C ATOM 579 OG1 THR A 42 -6.942 6.530 7.629 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.629 6.813 7.011 1.00 0.00 C ATOM 0 H THR A 42 -7.909 4.770 6.031 1.00 0.00 H new ATOM 0 HA THR A 42 -6.464 6.972 4.985 1.00 0.00 H new ATOM 0 HB THR A 42 -5.683 4.966 7.142 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.617 6.670 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.349 6.820 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.821 6.377 6.424 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.810 7.835 6.677 1.00 0.00 H new ATOM 588 N LEU A 43 -5.300 3.946 4.467 1.00 0.00 N ATOM 589 CA LEU A 43 -4.255 3.165 3.832 1.00 0.00 C ATOM 590 C LEU A 43 -4.492 3.044 2.336 1.00 0.00 C ATOM 591 O LEU A 43 -3.574 2.711 1.600 1.00 0.00 O ATOM 592 CB LEU A 43 -4.144 1.766 4.465 1.00 0.00 C ATOM 593 CG LEU A 43 -3.034 1.592 5.521 1.00 0.00 C ATOM 594 CD1 LEU A 43 -3.154 2.643 6.611 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.101 0.202 6.128 1.00 0.00 C ATOM 0 H LEU A 43 -6.075 3.396 4.838 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.314 3.692 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.100 1.520 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.979 1.040 3.669 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.071 1.719 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.360 2.499 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.066 3.636 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.123 2.549 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.312 0.092 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.071 0.059 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.968 -0.544 5.345 1.00 0.00 H new ATOM 607 N LEU A 44 -5.703 3.337 1.861 1.00 0.00 N ATOM 608 CA LEU A 44 -5.972 3.246 0.434 1.00 0.00 C ATOM 609 C LEU A 44 -5.521 4.521 -0.268 1.00 0.00 C ATOM 610 O LEU A 44 -4.907 4.466 -1.322 1.00 0.00 O ATOM 611 CB LEU A 44 -7.462 2.949 0.149 1.00 0.00 C ATOM 612 CG LEU A 44 -8.417 4.152 0.038 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.374 4.763 -1.361 1.00 0.00 C ATOM 614 CD2 LEU A 44 -9.838 3.737 0.362 1.00 0.00 C ATOM 0 H LEU A 44 -6.495 3.633 2.432 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.400 2.408 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.521 2.386 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.833 2.297 0.940 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.086 4.900 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.058 5.610 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.361 5.102 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.672 4.014 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.497 4.601 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.160 2.965 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.880 3.346 1.379 1.00 0.00 H new ATOM 626 N ASP A 45 -5.809 5.670 0.331 1.00 0.00 N ATOM 627 CA ASP A 45 -5.484 6.951 -0.290 1.00 0.00 C ATOM 628 C ASP A 45 -3.983 7.187 -0.271 1.00 0.00 C ATOM 629 O ASP A 45 -3.437 7.926 -1.098 1.00 0.00 O ATOM 630 CB ASP A 45 -6.219 8.083 0.427 1.00 0.00 C ATOM 631 CG ASP A 45 -5.834 9.456 -0.089 1.00 0.00 C ATOM 632 OD1 ASP A 45 -6.351 9.863 -1.146 1.00 0.00 O ATOM 633 OD2 ASP A 45 -5.009 10.131 0.558 1.00 0.00 O ATOM 0 H ASP A 45 -6.264 5.743 1.241 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.810 6.930 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.294 7.944 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.006 8.029 1.495 1.00 0.00 H new ATOM 638 N PHE A 46 -3.314 6.517 0.646 1.00 0.00 N ATOM 639 CA PHE A 46 -1.867 6.545 0.707 1.00 0.00 C ATOM 640 C PHE A 46 -1.282 5.694 -0.404 1.00 0.00 C ATOM 641 O PHE A 46 -0.347 6.108 -1.088 1.00 0.00 O ATOM 642 CB PHE A 46 -1.436 5.974 2.060 1.00 0.00 C ATOM 643 CG PHE A 46 0.038 6.015 2.339 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.859 4.969 1.951 1.00 0.00 C ATOM 645 CD2 PHE A 46 0.595 7.090 3.010 1.00 0.00 C ATOM 646 CE1 PHE A 46 2.210 4.998 2.222 1.00 0.00 C ATOM 647 CE2 PHE A 46 1.947 7.121 3.287 1.00 0.00 C ATOM 648 CZ PHE A 46 2.755 6.074 2.891 1.00 0.00 C ATOM 0 H PHE A 46 -3.754 5.942 1.364 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.511 7.568 0.589 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.952 6.523 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.771 4.939 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.436 4.122 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.034 7.912 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.841 4.179 1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.372 7.963 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.813 6.097 3.105 1.00 0.00 H new ATOM 658 N ILE A 47 -1.855 4.529 -0.618 1.00 0.00 N ATOM 659 CA ILE A 47 -1.316 3.627 -1.610 1.00 0.00 C ATOM 660 C ILE A 47 -1.752 4.045 -3.014 1.00 0.00 C ATOM 661 O ILE A 47 -1.035 3.829 -3.986 1.00 0.00 O ATOM 662 CB ILE A 47 -1.701 2.163 -1.320 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.222 1.998 -1.303 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.101 1.744 0.014 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.694 0.601 -0.954 1.00 0.00 C ATOM 0 H ILE A 47 -2.681 4.189 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.229 3.689 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.306 1.524 -2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.644 2.701 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.616 2.268 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.370 0.709 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.016 1.835 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.487 2.387 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.784 0.572 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.305 -0.108 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.333 0.333 0.039 1.00 0.00 H new ATOM 677 N GLN A 48 -2.917 4.668 -3.107 1.00 0.00 N ATOM 678 CA GLN A 48 -3.326 5.349 -4.318 1.00 0.00 C ATOM 679 C GLN A 48 -2.256 6.346 -4.732 1.00 0.00 C ATOM 680 O GLN A 48 -1.618 6.197 -5.755 1.00 0.00 O ATOM 681 CB GLN A 48 -4.645 6.092 -4.089 1.00 0.00 C ATOM 682 CG GLN A 48 -5.866 5.191 -4.049 1.00 0.00 C ATOM 683 CD GLN A 48 -6.102 4.473 -5.362 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.773 4.985 -6.432 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.669 3.282 -5.291 1.00 0.00 N ATOM 0 H GLN A 48 -3.598 4.714 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.464 4.608 -5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.582 6.642 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.777 6.829 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.745 4.456 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.745 5.787 -3.801 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.927 2.893 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.849 2.751 -6.143 1.00 0.00 H new ATOM 694 N LYS A 49 -1.979 7.271 -3.839 1.00 0.00 N ATOM 695 CA LYS A 49 -1.249 8.490 -4.168 1.00 0.00 C ATOM 696 C LYS A 49 0.259 8.258 -4.326 1.00 0.00 C ATOM 697 O LYS A 49 1.006 9.192 -4.626 1.00 0.00 O ATOM 698 CB LYS A 49 -1.518 9.503 -3.052 1.00 0.00 C ATOM 699 CG LYS A 49 -1.136 10.936 -3.375 1.00 0.00 C ATOM 700 CD LYS A 49 -1.211 11.835 -2.141 1.00 0.00 C ATOM 701 CE LYS A 49 -2.561 11.756 -1.431 1.00 0.00 C ATOM 702 NZ LYS A 49 -2.618 10.651 -0.432 1.00 0.00 N ATOM 0 H LYS A 49 -2.252 7.205 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.597 8.859 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.579 9.474 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.974 9.191 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.125 10.960 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.799 11.324 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.422 11.553 -1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.021 12.867 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.761 12.704 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.349 11.614 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.340 10.867 0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.862 9.761 -0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.691 10.552 0.030 1.00 0.00 H new ATOM 716 N HIS A 50 0.735 7.038 -4.089 1.00 0.00 N ATOM 717 CA HIS A 50 2.128 6.748 -4.450 1.00 0.00 C ATOM 718 C HIS A 50 2.270 5.650 -5.512 1.00 0.00 C ATOM 719 O HIS A 50 3.388 5.336 -5.920 1.00 0.00 O ATOM 720 CB HIS A 50 2.929 6.368 -3.198 1.00 0.00 C ATOM 721 CG HIS A 50 2.710 7.311 -2.052 1.00 0.00 C ATOM 722 ND1 HIS A 50 2.228 6.901 -0.833 1.00 0.00 N ATOM 723 CD2 HIS A 50 2.857 8.653 -1.963 1.00 0.00 C ATOM 724 CE1 HIS A 50 2.081 7.948 -0.049 1.00 0.00 C ATOM 725 NE2 HIS A 50 2.454 9.026 -0.706 1.00 0.00 N ATOM 0 H HIS A 50 0.213 6.268 -3.671 1.00 0.00 H new ATOM 0 HA HIS A 50 2.527 7.662 -4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.653 5.360 -2.889 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.990 6.346 -3.445 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.224 9.309 -2.738 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.714 7.926 0.967 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.445 9.979 -0.342 1.00 0.00 H new ATOM 734 N LEU A 51 1.164 5.064 -5.964 1.00 0.00 N ATOM 735 CA LEU A 51 1.232 4.079 -7.054 1.00 0.00 C ATOM 736 C LEU A 51 0.366 4.496 -8.238 1.00 0.00 C ATOM 737 O LEU A 51 0.776 4.393 -9.393 1.00 0.00 O ATOM 738 CB LEU A 51 0.777 2.678 -6.613 1.00 0.00 C ATOM 739 CG LEU A 51 1.699 1.907 -5.651 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.141 1.900 -6.140 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.614 2.471 -4.250 1.00 0.00 C ATOM 0 H LEU A 51 0.226 5.245 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 51 2.282 4.042 -7.344 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.200 2.774 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.639 2.071 -7.508 1.00 0.00 H new ATOM 0 HG LEU A 51 1.352 0.874 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.762 1.347 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.191 1.424 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.504 2.925 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.275 1.908 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.917 3.518 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.589 2.394 -3.888 1.00 0.00 H new ATOM 753 N ASN A 52 -0.834 4.960 -7.938 1.00 0.00 N ATOM 754 CA ASN A 52 -1.863 5.158 -8.950 1.00 0.00 C ATOM 755 C ASN A 52 -2.378 6.594 -8.999 1.00 0.00 C ATOM 756 O ASN A 52 -2.938 7.019 -10.009 1.00 0.00 O ATOM 757 CB ASN A 52 -3.022 4.199 -8.684 1.00 0.00 C ATOM 758 CG ASN A 52 -3.000 2.990 -9.609 1.00 0.00 C ATOM 759 OD1 ASN A 52 -3.425 1.898 -9.235 1.00 0.00 O ATOM 760 ND2 ASN A 52 -2.528 3.179 -10.834 1.00 0.00 N ATOM 0 H ASN A 52 -1.124 5.210 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.411 4.953 -9.920 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.980 3.861 -7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.965 4.731 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.510 2.405 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.183 4.098 -11.112 1.00 0.00 H new ATOM 767 N LYS A 53 -2.201 7.335 -7.922 1.00 0.00 N ATOM 768 CA LYS A 53 -2.601 8.725 -7.885 1.00 0.00 C ATOM 769 C LYS A 53 -1.374 9.624 -7.863 1.00 0.00 C ATOM 770 O LYS A 53 -0.927 10.001 -6.766 1.00 0.00 O ATOM 771 CB LYS A 53 -3.485 8.997 -6.666 1.00 0.00 C ATOM 772 CG LYS A 53 -4.967 8.993 -6.980 1.00 0.00 C ATOM 773 CD LYS A 53 -5.745 9.866 -6.008 1.00 0.00 C ATOM 774 CE LYS A 53 -5.733 9.310 -4.597 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.602 10.113 -3.698 1.00 0.00 N ATOM 776 OXT LYS A 53 -0.855 9.935 -8.956 1.00 0.00 O ATOM 0 H LYS A 53 -1.780 6.994 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.179 8.944 -8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.281 8.244 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.215 9.963 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.125 9.350 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.346 7.972 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.319 10.870 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.776 9.958 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.074 8.275 -4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.713 9.306 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.410 9.856 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.405 11.125 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.600 9.921 -3.918 1.00 0.00 H new TER 790 LYS A 53 HETATM 791 N FME B 1 9.580 6.993 13.712 1.00 0.00 N HETATM 792 CN FME B 1 8.439 7.412 14.240 1.00 0.00 C HETATM 793 O1 FME B 1 8.385 8.382 14.992 1.00 0.00 O HETATM 794 CA FME B 1 9.619 5.822 12.852 1.00 0.00 C HETATM 795 CB FME B 1 10.900 5.819 12.017 1.00 0.00 C HETATM 796 CG FME B 1 10.903 4.787 10.900 1.00 0.00 C HETATM 797 SD FME B 1 12.346 4.935 9.829 1.00 0.00 S HETATM 798 CE FME B 1 11.922 3.775 8.533 1.00 0.00 C HETATM 799 C FME B 1 9.531 4.559 13.700 1.00 0.00 C HETATM 800 O FME B 1 10.531 4.086 14.241 1.00 0.00 O HETATM 0 HG3 FME B 1 10.877 3.787 11.333 1.00 0.00 H new HETATM 0 HG2 FME B 1 9.998 4.900 10.303 1.00 0.00 H new HETATM 0 HE3 FME B 1 12.831 3.441 8.032 1.00 0.00 H new HETATM 0 HE2 FME B 1 11.410 2.916 8.967 1.00 0.00 H new HETATM 0 HE1 FME B 1 11.267 4.261 7.810 1.00 0.00 H new HETATM 0 HCN FME B 1 7.519 6.879 13.999 1.00 0.00 H new HETATM 0 HB3 FME B 1 11.043 6.809 11.584 1.00 0.00 H new HETATM 0 HB2 FME B 1 11.750 5.632 12.673 1.00 0.00 H new HETATM 0 HA FME B 1 8.768 5.850 12.172 1.00 0.00 H new HETATM 0 H FME B 1 10.443 7.499 13.912 1.00 0.00 H new ATOM 811 N VAL B 2 8.329 4.017 13.814 1.00 0.00 N ATOM 812 CA VAL B 2 8.090 2.865 14.672 1.00 0.00 C ATOM 813 C VAL B 2 7.926 1.598 13.832 1.00 0.00 C ATOM 814 O VAL B 2 7.880 0.481 14.354 1.00 0.00 O ATOM 815 CB VAL B 2 6.837 3.096 15.553 1.00 0.00 C ATOM 816 CG1 VAL B 2 5.571 3.119 14.707 1.00 0.00 C ATOM 817 CG2 VAL B 2 6.738 2.055 16.659 1.00 0.00 C ATOM 0 H VAL B 2 7.502 4.356 13.323 1.00 0.00 H new ATOM 0 HA VAL B 2 8.953 2.737 15.326 1.00 0.00 H new ATOM 0 HB VAL B 2 6.941 4.072 16.027 1.00 0.00 H new ATOM 0 HG11 VAL B 2 4.706 3.283 15.350 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.637 3.924 13.976 1.00 0.00 H new ATOM 0 HG13 VAL B 2 5.462 2.166 14.189 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.848 2.245 17.259 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.672 1.060 16.218 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.623 2.113 17.293 1.00 0.00 H new ATOM 827 N ILE B 3 7.871 1.777 12.520 1.00 0.00 N ATOM 828 CA ILE B 3 7.753 0.653 11.610 1.00 0.00 C ATOM 829 C ILE B 3 8.926 0.640 10.635 1.00 0.00 C ATOM 830 O ILE B 3 9.283 1.671 10.058 1.00 0.00 O ATOM 831 CB ILE B 3 6.406 0.665 10.840 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.218 -0.651 10.081 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.321 1.853 9.883 1.00 0.00 C ATOM 834 CD1 ILE B 3 4.863 -0.783 9.422 1.00 0.00 C ATOM 0 H ILE B 3 7.906 2.689 12.065 1.00 0.00 H new ATOM 0 HA ILE B 3 7.774 -0.258 12.208 1.00 0.00 H new ATOM 0 HB ILE B 3 5.603 0.770 11.569 1.00 0.00 H new ATOM 0 HG12 ILE B 3 6.993 -0.735 9.319 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.359 -1.482 10.772 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.365 1.831 9.360 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.404 2.782 10.448 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.133 1.795 9.158 1.00 0.00 H new ATOM 0 HD11 ILE B 3 4.802 -1.740 8.903 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.083 -0.732 10.181 1.00 0.00 H new ATOM 0 HD13 ILE B 3 4.726 0.027 8.706 1.00 0.00 H new ATOM 846 N ALA B 4 9.549 -0.515 10.491 1.00 0.00 N ATOM 847 CA ALA B 4 10.652 -0.676 9.566 1.00 0.00 C ATOM 848 C ALA B 4 10.332 -1.769 8.562 1.00 0.00 C ATOM 849 O ALA B 4 9.641 -2.738 8.878 1.00 0.00 O ATOM 850 CB ALA B 4 11.930 -1.002 10.322 1.00 0.00 C ATOM 0 H ALA B 4 9.306 -1.360 11.008 1.00 0.00 H new ATOM 0 HA ALA B 4 10.802 0.259 9.027 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.751 -1.120 9.615 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.161 -0.191 11.013 1.00 0.00 H new ATOM 0 HB3 ALA B 4 11.796 -1.928 10.881 1.00 0.00 H new ATOM 856 N THR B 5 10.835 -1.597 7.346 1.00 0.00 N ATOM 857 CA THR B 5 10.570 -2.520 6.252 1.00 0.00 C ATOM 858 C THR B 5 11.121 -3.908 6.561 1.00 0.00 C ATOM 859 O THR B 5 10.710 -4.895 5.963 1.00 0.00 O ATOM 860 CB THR B 5 11.199 -1.996 4.944 1.00 0.00 C ATOM 861 OG1 THR B 5 10.940 -0.591 4.817 1.00 0.00 O ATOM 862 CG2 THR B 5 10.635 -2.723 3.731 1.00 0.00 C ATOM 0 H THR B 5 11.437 -0.814 7.092 1.00 0.00 H new ATOM 0 HA THR B 5 9.489 -2.592 6.131 1.00 0.00 H new ATOM 0 HB THR B 5 12.273 -2.178 4.986 1.00 0.00 H new ATOM 0 HG1 THR B 5 11.341 -0.258 3.987 1.00 0.00 H new ATOM 0 HG21 THR B 5 11.097 -2.332 2.825 1.00 0.00 H new ATOM 0 HG22 THR B 5 10.846 -3.789 3.815 1.00 0.00 H new ATOM 0 HG23 THR B 5 9.557 -2.569 3.684 1.00 0.00 H new ATOM 870 N ASP B 6 12.012 -3.979 7.542 1.00 0.00 N ATOM 871 CA ASP B 6 12.679 -5.224 7.891 1.00 0.00 C ATOM 872 C ASP B 6 11.808 -6.079 8.806 1.00 0.00 C ATOM 873 O ASP B 6 12.197 -7.181 9.195 1.00 0.00 O ATOM 874 CB ASP B 6 14.017 -4.934 8.575 1.00 0.00 C ATOM 875 CG ASP B 6 15.015 -4.265 7.650 1.00 0.00 C ATOM 876 OD1 ASP B 6 14.921 -3.034 7.450 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.909 -4.965 7.129 1.00 0.00 O ATOM 0 H ASP B 6 12.290 -3.181 8.113 1.00 0.00 H new ATOM 0 HA ASP B 6 12.856 -5.778 6.969 1.00 0.00 H new ATOM 0 HB2 ASP B 6 13.846 -4.295 9.442 1.00 0.00 H new ATOM 0 HB3 ASP B 6 14.441 -5.867 8.946 1.00 0.00 H new ATOM 882 N ASP B 7 10.637 -5.566 9.171 1.00 0.00 N ATOM 883 CA ASP B 7 9.694 -6.342 9.971 1.00 0.00 C ATOM 884 C ASP B 7 8.556 -6.864 9.103 1.00 0.00 C ATOM 885 O ASP B 7 7.863 -7.815 9.471 1.00 0.00 O ATOM 886 CB ASP B 7 9.105 -5.490 11.104 1.00 0.00 C ATOM 887 CG ASP B 7 10.156 -4.925 12.037 1.00 0.00 C ATOM 888 OD1 ASP B 7 10.733 -5.692 12.832 1.00 0.00 O ATOM 889 OD2 ASP B 7 10.405 -3.703 11.986 1.00 0.00 O ATOM 0 H ASP B 7 10.320 -4.627 8.929 1.00 0.00 H new ATOM 0 HA ASP B 7 10.241 -7.182 10.400 1.00 0.00 H new ATOM 0 HB2 ASP B 7 8.533 -4.669 10.672 1.00 0.00 H new ATOM 0 HB3 ASP B 7 8.406 -6.097 11.680 1.00 0.00 H new ATOM 894 N LEU B 8 8.370 -6.248 7.943 1.00 0.00 N ATOM 895 CA LEU B 8 7.292 -6.639 7.040 1.00 0.00 C ATOM 896 C LEU B 8 7.849 -7.311 5.799 1.00 0.00 C ATOM 897 O LEU B 8 7.134 -8.004 5.075 1.00 0.00 O ATOM 898 CB LEU B 8 6.435 -5.433 6.654 1.00 0.00 C ATOM 899 CG LEU B 8 5.516 -4.911 7.758 1.00 0.00 C ATOM 900 CD1 LEU B 8 6.300 -4.155 8.819 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.430 -4.031 7.168 1.00 0.00 C ATOM 0 H LEU B 8 8.948 -5.479 7.605 1.00 0.00 H new ATOM 0 HA LEU B 8 6.658 -7.353 7.566 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.094 -4.624 6.339 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.825 -5.701 5.791 1.00 0.00 H new ATOM 0 HG LEU B 8 5.048 -5.769 8.240 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.617 -3.797 9.590 1.00 0.00 H new ATOM 0 HD12 LEU B 8 7.038 -4.819 9.268 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.807 -3.306 8.361 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.783 -3.667 7.966 1.00 0.00 H new ATOM 0 HD22 LEU B 8 4.886 -3.184 6.656 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.839 -4.609 6.458 1.00 0.00 H new ATOM 913 N GLU B 9 9.134 -7.108 5.581 1.00 0.00 N ATOM 914 CA GLU B 9 9.851 -7.765 4.510 1.00 0.00 C ATOM 915 C GLU B 9 11.159 -8.300 5.064 1.00 0.00 C ATOM 916 O GLU B 9 11.885 -7.600 5.770 1.00 0.00 O ATOM 917 CB GLU B 9 10.104 -6.828 3.321 1.00 0.00 C ATOM 918 CG GLU B 9 8.837 -6.435 2.573 1.00 0.00 C ATOM 919 CD GLU B 9 9.112 -5.804 1.219 1.00 0.00 C ATOM 920 OE1 GLU B 9 9.448 -4.603 1.167 1.00 0.00 O ATOM 921 OE2 GLU B 9 8.963 -6.506 0.193 1.00 0.00 O ATOM 0 H GLU B 9 9.709 -6.481 6.144 1.00 0.00 H new ATOM 0 HA GLU B 9 9.240 -8.584 4.130 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.599 -5.925 3.680 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.790 -7.313 2.627 1.00 0.00 H new ATOM 0 HG2 GLU B 9 8.215 -7.320 2.435 1.00 0.00 H new ATOM 0 HG3 GLU B 9 8.265 -5.736 3.183 1.00 0.00 H new ATOM 928 N VAL B 10 11.443 -9.542 4.754 1.00 0.00 N ATOM 929 CA VAL B 10 12.603 -10.221 5.286 1.00 0.00 C ATOM 930 C VAL B 10 13.425 -10.776 4.134 1.00 0.00 C ATOM 931 O VAL B 10 12.872 -11.256 3.145 1.00 0.00 O ATOM 932 CB VAL B 10 12.192 -11.356 6.262 1.00 0.00 C ATOM 933 CG1 VAL B 10 11.261 -12.357 5.590 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.419 -12.061 6.826 1.00 0.00 C ATOM 0 H VAL B 10 10.877 -10.112 4.125 1.00 0.00 H new ATOM 0 HA VAL B 10 13.202 -9.508 5.852 1.00 0.00 H new ATOM 0 HB VAL B 10 11.650 -10.897 7.089 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.993 -13.138 6.301 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.359 -11.846 5.254 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.765 -12.804 4.733 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.104 -12.852 7.507 1.00 0.00 H new ATOM 0 HG22 VAL B 10 13.997 -12.494 6.010 1.00 0.00 H new ATOM 0 HG23 VAL B 10 14.036 -11.342 7.366 1.00 0.00 H new ATOM 944 N ALA B 11 14.740 -10.690 4.251 1.00 0.00 N ATOM 945 CA ALA B 11 15.623 -11.141 3.192 1.00 0.00 C ATOM 946 C ALA B 11 15.476 -12.643 2.976 1.00 0.00 C ATOM 947 O ALA B 11 15.483 -13.426 3.927 1.00 0.00 O ATOM 948 CB ALA B 11 17.056 -10.769 3.546 1.00 0.00 C ATOM 0 H ALA B 11 15.218 -10.312 5.069 1.00 0.00 H new ATOM 0 HA ALA B 11 15.354 -10.651 2.256 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.725 -11.105 2.754 1.00 0.00 H new ATOM 0 HB2 ALA B 11 17.135 -9.687 3.653 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.335 -11.248 4.485 1.00 0.00 H new ATOM 954 N CYS B 12 15.328 -13.017 1.705 1.00 0.00 N ATOM 955 CA CYS B 12 14.942 -14.361 1.293 1.00 0.00 C ATOM 956 C CYS B 12 15.956 -15.435 1.726 1.00 0.00 C ATOM 957 O CYS B 12 17.083 -15.112 2.086 1.00 0.00 O ATOM 958 CB CYS B 12 14.825 -14.363 -0.225 1.00 0.00 C ATOM 959 SG CYS B 12 13.433 -15.318 -0.850 1.00 0.00 S ATOM 0 H CYS B 12 15.476 -12.381 0.921 1.00 0.00 H new ATOM 0 HA CYS B 12 13.997 -14.610 1.776 1.00 0.00 H new ATOM 0 HB2 CYS B 12 14.733 -13.334 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.746 -14.762 -0.650 1.00 0.00 H new ATOM 964 N PRO B 13 15.568 -16.729 1.683 1.00 0.00 N ATOM 965 CA PRO B 13 16.471 -17.854 1.989 1.00 0.00 C ATOM 966 C PRO B 13 17.825 -17.798 1.271 1.00 0.00 C ATOM 967 O PRO B 13 18.833 -18.259 1.806 1.00 0.00 O ATOM 968 CB PRO B 13 15.680 -19.055 1.477 1.00 0.00 C ATOM 969 CG PRO B 13 14.263 -18.684 1.703 1.00 0.00 C ATOM 970 CD PRO B 13 14.195 -17.208 1.409 1.00 0.00 C ATOM 0 HA PRO B 13 16.730 -17.867 3.048 1.00 0.00 H new ATOM 0 HB2 PRO B 13 15.879 -19.242 0.422 1.00 0.00 H new ATOM 0 HB3 PRO B 13 15.944 -19.964 2.017 1.00 0.00 H new ATOM 0 HG2 PRO B 13 13.598 -19.248 1.049 1.00 0.00 H new ATOM 0 HG3 PRO B 13 13.958 -18.897 2.728 1.00 0.00 H new ATOM 0 HD2 PRO B 13 13.904 -17.019 0.376 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.463 -16.707 2.043 1.00 0.00 H new ATOM 978 N LYS B 14 17.844 -17.236 0.062 1.00 0.00 N ATOM 979 CA LYS B 14 19.019 -17.351 -0.796 1.00 0.00 C ATOM 980 C LYS B 14 19.210 -16.167 -1.759 1.00 0.00 C ATOM 981 O LYS B 14 20.339 -15.866 -2.142 1.00 0.00 O ATOM 982 CB LYS B 14 18.936 -18.648 -1.610 1.00 0.00 C ATOM 983 CG LYS B 14 20.090 -18.820 -2.589 1.00 0.00 C ATOM 984 CD LYS B 14 19.874 -20.001 -3.525 1.00 0.00 C ATOM 985 CE LYS B 14 20.938 -20.046 -4.619 1.00 0.00 C ATOM 986 NZ LYS B 14 22.320 -20.140 -4.067 1.00 0.00 N ATOM 0 H LYS B 14 17.071 -16.705 -0.339 1.00 0.00 H new ATOM 0 HA LYS B 14 19.881 -17.354 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS B 14 18.919 -19.497 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS B 14 17.996 -18.663 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS B 14 20.206 -17.909 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS B 14 21.018 -18.962 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS B 14 19.898 -20.929 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.886 -19.931 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS B 14 20.751 -20.901 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS B 14 20.857 -19.152 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 22.997 -20.270 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 22.548 -19.266 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 22.380 -20.950 -3.418 1.00 0.00 H new ATOM 1000 N CYS B 15 18.145 -15.483 -2.170 1.00 0.00 N ATOM 1001 CA CYS B 15 18.304 -14.512 -3.254 1.00 0.00 C ATOM 1002 C CYS B 15 18.047 -13.062 -2.853 1.00 0.00 C ATOM 1003 O CYS B 15 17.478 -12.300 -3.636 1.00 0.00 O ATOM 1004 CB CYS B 15 17.302 -14.863 -4.343 1.00 0.00 C ATOM 1005 SG CYS B 15 15.591 -14.954 -3.743 1.00 0.00 S ATOM 0 H CYS B 15 17.202 -15.574 -1.791 1.00 0.00 H new ATOM 0 HA CYS B 15 19.344 -14.574 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.362 -14.118 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS B 15 17.576 -15.821 -4.784 1.00 0.00 H new ATOM 1010 N GLU B 16 18.563 -12.661 -1.711 1.00 0.00 N ATOM 1011 CA GLU B 16 18.380 -11.301 -1.216 1.00 0.00 C ATOM 1012 C GLU B 16 19.513 -10.439 -1.718 1.00 0.00 C ATOM 1013 O GLU B 16 19.861 -9.422 -1.118 1.00 0.00 O ATOM 1014 CB GLU B 16 18.405 -11.287 0.313 1.00 0.00 C ATOM 1015 CG GLU B 16 18.382 -12.660 0.956 1.00 0.00 C ATOM 1016 CD GLU B 16 19.756 -13.297 1.003 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.493 -13.062 1.982 1.00 0.00 O ATOM 1018 OE2 GLU B 16 20.105 -14.028 0.056 1.00 0.00 O ATOM 0 H GLU B 16 19.118 -13.259 -1.099 1.00 0.00 H new ATOM 0 HA GLU B 16 17.421 -10.922 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.300 -10.760 0.644 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.548 -10.717 0.672 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.987 -12.578 1.969 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.703 -13.307 0.401 1.00 0.00 H new ATOM 1025 N ARG B 17 20.062 -10.845 -2.844 1.00 0.00 N ATOM 1026 CA ARG B 17 21.345 -10.372 -3.287 1.00 0.00 C ATOM 1027 C ARG B 17 21.329 -10.348 -4.810 1.00 0.00 C ATOM 1028 O ARG B 17 22.108 -9.648 -5.454 1.00 0.00 O ATOM 1029 CB ARG B 17 22.441 -11.303 -2.764 1.00 0.00 C ATOM 1030 CG ARG B 17 22.205 -12.763 -3.119 1.00 0.00 C ATOM 1031 CD ARG B 17 23.001 -13.689 -2.223 1.00 0.00 C ATOM 1032 NE ARG B 17 24.441 -13.499 -2.365 1.00 0.00 N ATOM 1033 CZ ARG B 17 25.339 -14.146 -1.628 1.00 0.00 C ATOM 1034 NH1 ARG B 17 24.938 -14.979 -0.678 1.00 0.00 N ATOM 1035 NH2 ARG B 17 26.631 -13.947 -1.827 1.00 0.00 N ATOM 0 H ARG B 17 19.624 -11.515 -3.476 1.00 0.00 H new ATOM 0 HA ARG B 17 21.548 -9.371 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG B 17 23.402 -10.987 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.506 -11.205 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG B 17 21.143 -12.993 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG B 17 22.482 -12.935 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG B 17 22.716 -13.519 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG B 17 22.749 -14.723 -2.458 1.00 0.00 H new ATOM 0 HE ARG B 17 24.775 -12.837 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG B 17 23.942 -15.123 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG B 17 25.626 -15.476 -0.112 1.00 0.00 H new ATOM 0 HH21 ARG B 17 26.942 -13.295 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG B 17 27.317 -14.445 -1.260 1.00 0.00 H new ATOM 1049 N ALA B 18 20.413 -11.145 -5.376 1.00 0.00 N ATOM 1050 CA ALA B 18 20.371 -11.342 -6.817 1.00 0.00 C ATOM 1051 C ALA B 18 18.955 -11.270 -7.378 1.00 0.00 C ATOM 1052 O ALA B 18 18.751 -10.833 -8.511 1.00 0.00 O ATOM 1053 CB ALA B 18 21.014 -12.670 -7.172 1.00 0.00 C ATOM 0 H ALA B 18 19.700 -11.657 -4.857 1.00 0.00 H new ATOM 0 HA ALA B 18 20.932 -10.527 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA B 18 20.980 -12.813 -8.252 1.00 0.00 H new ATOM 0 HB2 ALA B 18 22.051 -12.673 -6.838 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.473 -13.479 -6.682 1.00 0.00 H new ATOM 1059 N GLY B 19 17.980 -11.705 -6.587 1.00 0.00 N ATOM 1060 CA GLY B 19 16.597 -11.656 -7.023 1.00 0.00 C ATOM 1061 C GLY B 19 16.174 -12.897 -7.785 1.00 0.00 C ATOM 1062 O GLY B 19 15.169 -12.884 -8.489 1.00 0.00 O ATOM 0 H GLY B 19 18.122 -12.090 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.951 -11.532 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY B 19 16.452 -10.780 -7.655 1.00 0.00 H new ATOM 1066 N GLU B 20 16.904 -13.987 -7.593 1.00 0.00 N ATOM 1067 CA GLU B 20 16.656 -15.221 -8.331 1.00 0.00 C ATOM 1068 C GLU B 20 17.265 -16.413 -7.606 1.00 0.00 C ATOM 1069 O GLU B 20 18.076 -16.249 -6.698 1.00 0.00 O ATOM 1070 CB GLU B 20 17.208 -15.135 -9.761 1.00 0.00 C ATOM 1071 CG GLU B 20 18.622 -14.583 -9.850 1.00 0.00 C ATOM 1072 CD GLU B 20 19.166 -14.595 -11.263 1.00 0.00 C ATOM 1073 OE1 GLU B 20 18.558 -13.960 -12.150 1.00 0.00 O ATOM 1074 OE2 GLU B 20 20.211 -15.240 -11.494 1.00 0.00 O ATOM 0 H GLU B 20 17.677 -14.043 -6.929 1.00 0.00 H new ATOM 0 HA GLU B 20 15.576 -15.359 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.189 -16.130 -10.206 1.00 0.00 H new ATOM 0 HB3 GLU B 20 16.546 -14.507 -10.357 1.00 0.00 H new ATOM 0 HG2 GLU B 20 18.634 -13.562 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.278 -15.170 -9.207 1.00 0.00 H new ATOM 1081 N ILE B 21 16.864 -17.602 -8.011 1.00 0.00 N ATOM 1082 CA ILE B 21 17.353 -18.833 -7.417 1.00 0.00 C ATOM 1083 C ILE B 21 17.925 -19.702 -8.515 1.00 0.00 C ATOM 1084 O ILE B 21 17.181 -20.180 -9.362 1.00 0.00 O ATOM 1085 CB ILE B 21 16.232 -19.631 -6.707 1.00 0.00 C ATOM 1086 CG1 ILE B 21 15.576 -18.803 -5.597 1.00 0.00 C ATOM 1087 CG2 ILE B 21 16.781 -20.936 -6.140 1.00 0.00 C ATOM 1088 CD1 ILE B 21 16.469 -18.542 -4.400 1.00 0.00 C ATOM 0 H ILE B 21 16.189 -17.743 -8.762 1.00 0.00 H new ATOM 0 HA ILE B 21 18.104 -18.567 -6.673 1.00 0.00 H new ATOM 0 HB ILE B 21 15.469 -19.864 -7.449 1.00 0.00 H new ATOM 0 HG12 ILE B 21 15.258 -17.847 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE B 21 14.677 -19.318 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE B 21 15.979 -21.483 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE B 21 17.188 -21.542 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE B 21 17.569 -20.717 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE B 21 15.926 -17.950 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE B 21 16.767 -19.491 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE B 21 17.357 -17.997 -4.720 1.00 0.00 H new ATOM 1100 N GLU B 22 19.236 -19.882 -8.514 1.00 0.00 N ATOM 1101 CA GLU B 22 19.884 -20.712 -9.522 1.00 0.00 C ATOM 1102 C GLU B 22 19.528 -20.205 -10.926 1.00 0.00 C ATOM 1103 O GLU B 22 19.117 -20.976 -11.791 1.00 0.00 O ATOM 1104 CB GLU B 22 19.419 -22.164 -9.341 1.00 0.00 C ATOM 1105 CG GLU B 22 20.501 -23.214 -9.546 1.00 0.00 C ATOM 1106 CD GLU B 22 21.093 -23.221 -10.939 1.00 0.00 C ATOM 1107 OE1 GLU B 22 20.551 -23.923 -11.816 1.00 0.00 O ATOM 1108 OE2 GLU B 22 22.123 -22.551 -11.153 1.00 0.00 O ATOM 0 H GLU B 22 19.871 -19.468 -7.832 1.00 0.00 H new ATOM 0 HA GLU B 22 20.967 -20.661 -9.405 1.00 0.00 H new ATOM 0 HB2 GLU B 22 19.010 -22.276 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU B 22 18.606 -22.360 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU B 22 21.299 -23.045 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU B 22 20.083 -24.198 -9.335 1.00 0.00 H new ATOM 1115 N GLY B 23 19.642 -18.897 -11.136 1.00 0.00 N ATOM 1116 CA GLY B 23 19.340 -18.320 -12.439 1.00 0.00 C ATOM 1117 C GLY B 23 17.862 -18.330 -12.794 1.00 0.00 C ATOM 1118 O GLY B 23 17.476 -17.855 -13.862 1.00 0.00 O ATOM 0 H GLY B 23 19.938 -18.224 -10.429 1.00 0.00 H new ATOM 0 HA2 GLY B 23 19.701 -17.292 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.890 -18.868 -13.204 1.00 0.00 H new ATOM 1122 N THR B 24 17.036 -18.859 -11.915 1.00 0.00 N ATOM 1123 CA THR B 24 15.623 -19.019 -12.214 1.00 0.00 C ATOM 1124 C THR B 24 14.768 -18.225 -11.208 1.00 0.00 C ATOM 1125 O THR B 24 15.248 -17.887 -10.122 1.00 0.00 O ATOM 1126 CB THR B 24 15.268 -20.532 -12.220 1.00 0.00 C ATOM 1127 OG1 THR B 24 14.277 -20.809 -13.214 1.00 0.00 O ATOM 1128 CG2 THR B 24 14.769 -21.018 -10.865 1.00 0.00 C ATOM 0 H THR B 24 17.315 -19.185 -10.990 1.00 0.00 H new ATOM 0 HA THR B 24 15.404 -18.616 -13.203 1.00 0.00 H new ATOM 0 HB THR B 24 16.189 -21.068 -12.451 1.00 0.00 H new ATOM 0 HG1 THR B 24 14.065 -21.766 -13.207 1.00 0.00 H new ATOM 0 HG21 THR B 24 14.535 -22.081 -10.923 1.00 0.00 H new ATOM 0 HG22 THR B 24 15.542 -20.857 -10.114 1.00 0.00 H new ATOM 0 HG23 THR B 24 13.872 -20.464 -10.587 1.00 0.00 H new ATOM 1136 N PRO B 25 13.508 -17.885 -11.563 1.00 0.00 N ATOM 1137 CA PRO B 25 12.614 -17.102 -10.693 1.00 0.00 C ATOM 1138 C PRO B 25 12.436 -17.744 -9.320 1.00 0.00 C ATOM 1139 O PRO B 25 12.426 -18.966 -9.188 1.00 0.00 O ATOM 1140 CB PRO B 25 11.281 -17.084 -11.455 1.00 0.00 C ATOM 1141 CG PRO B 25 11.388 -18.205 -12.430 1.00 0.00 C ATOM 1142 CD PRO B 25 12.837 -18.253 -12.818 1.00 0.00 C ATOM 0 HA PRO B 25 13.013 -16.107 -10.495 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.437 -17.225 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.127 -16.131 -11.962 1.00 0.00 H new ATOM 0 HG2 PRO B 25 11.069 -19.147 -11.984 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.753 -18.033 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO B 25 13.133 -19.244 -13.163 1.00 0.00 H new ATOM 0 HD3 PRO B 25 13.066 -17.554 -13.622 1.00 0.00 H new ATOM 1150 N CYS B 26 12.308 -16.912 -8.297 1.00 0.00 N ATOM 1151 CA CYS B 26 12.247 -17.384 -6.925 1.00 0.00 C ATOM 1152 C CYS B 26 10.806 -17.493 -6.408 1.00 0.00 C ATOM 1153 O CYS B 26 9.998 -16.595 -6.629 1.00 0.00 O ATOM 1154 CB CYS B 26 13.049 -16.428 -6.057 1.00 0.00 C ATOM 1155 SG CYS B 26 13.141 -16.906 -4.304 1.00 0.00 S ATOM 0 H CYS B 26 12.244 -15.899 -8.395 1.00 0.00 H new ATOM 0 HA CYS B 26 12.667 -18.389 -6.883 1.00 0.00 H new ATOM 0 HB2 CYS B 26 14.061 -16.356 -6.455 1.00 0.00 H new ATOM 0 HB3 CYS B 26 12.607 -15.434 -6.128 1.00 0.00 H new ATOM 1160 N PRO B 27 10.509 -18.595 -5.676 1.00 0.00 N ATOM 1161 CA PRO B 27 9.184 -18.933 -5.122 1.00 0.00 C ATOM 1162 C PRO B 27 8.275 -17.751 -4.757 1.00 0.00 C ATOM 1163 O PRO B 27 7.146 -17.655 -5.236 1.00 0.00 O ATOM 1164 CB PRO B 27 9.569 -19.678 -3.848 1.00 0.00 C ATOM 1165 CG PRO B 27 10.840 -20.396 -4.174 1.00 0.00 C ATOM 1166 CD PRO B 27 11.477 -19.662 -5.342 1.00 0.00 C ATOM 0 HA PRO B 27 8.593 -19.474 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO B 27 9.711 -18.987 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO B 27 8.788 -20.378 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO B 27 11.509 -20.406 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO B 27 10.640 -21.435 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO B 27 12.447 -19.247 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO B 27 11.642 -20.329 -6.188 1.00 0.00 H new ATOM 1174 N ALA B 28 8.779 -16.848 -3.922 1.00 0.00 N ATOM 1175 CA ALA B 28 7.921 -15.849 -3.288 1.00 0.00 C ATOM 1176 C ALA B 28 8.434 -14.430 -3.493 1.00 0.00 C ATOM 1177 O ALA B 28 7.791 -13.466 -3.088 1.00 0.00 O ATOM 1178 CB ALA B 28 7.780 -16.145 -1.803 1.00 0.00 C ATOM 0 H ALA B 28 9.765 -16.786 -3.670 1.00 0.00 H new ATOM 0 HA ALA B 28 6.944 -15.912 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.139 -15.394 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.337 -17.132 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.763 -16.121 -1.332 1.00 0.00 H new ATOM 1184 N CYS B 29 9.597 -14.297 -4.103 1.00 0.00 N ATOM 1185 CA CYS B 29 10.141 -12.983 -4.392 1.00 0.00 C ATOM 1186 C CYS B 29 10.586 -12.937 -5.848 1.00 0.00 C ATOM 1187 O CYS B 29 11.648 -13.459 -6.195 1.00 0.00 O ATOM 1188 CB CYS B 29 11.306 -12.656 -3.438 1.00 0.00 C ATOM 1189 SG CYS B 29 12.794 -13.668 -3.671 1.00 0.00 S ATOM 0 H CYS B 29 10.180 -15.077 -4.406 1.00 0.00 H new ATOM 0 HA CYS B 29 9.372 -12.226 -4.235 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.575 -11.607 -3.563 1.00 0.00 H new ATOM 0 HB3 CYS B 29 10.960 -12.776 -2.411 1.00 0.00 H new ATOM 1194 N SER B 30 9.759 -12.353 -6.704 1.00 0.00 N ATOM 1195 CA SER B 30 10.032 -12.277 -8.132 1.00 0.00 C ATOM 1196 C SER B 30 11.075 -11.205 -8.466 1.00 0.00 C ATOM 1197 O SER B 30 10.843 -10.332 -9.303 1.00 0.00 O ATOM 1198 CB SER B 30 8.714 -11.991 -8.853 1.00 0.00 C ATOM 1199 OG SER B 30 8.006 -10.943 -8.202 1.00 0.00 O ATOM 0 H SER B 30 8.879 -11.918 -6.427 1.00 0.00 H new ATOM 0 HA SER B 30 10.452 -13.227 -8.464 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.912 -11.715 -9.889 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.102 -12.893 -8.875 1.00 0.00 H new ATOM 0 HG SER B 30 7.166 -10.771 -8.677 1.00 0.00 H new ATOM 1205 N GLY B 31 12.216 -11.264 -7.794 1.00 0.00 N ATOM 1206 CA GLY B 31 13.300 -10.364 -8.109 1.00 0.00 C ATOM 1207 C GLY B 31 13.282 -9.111 -7.266 1.00 0.00 C ATOM 1208 O GLY B 31 13.405 -8.006 -7.788 1.00 0.00 O ATOM 0 H GLY B 31 12.408 -11.920 -7.037 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.249 -10.880 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY B 31 13.244 -10.089 -9.162 1.00 0.00 H new ATOM 1212 N LYS B 32 13.122 -9.272 -5.957 1.00 0.00 N ATOM 1213 CA LYS B 32 13.181 -8.145 -5.038 1.00 0.00 C ATOM 1214 C LYS B 32 14.419 -8.286 -4.167 1.00 0.00 C ATOM 1215 O LYS B 32 15.153 -7.331 -3.929 1.00 0.00 O ATOM 1216 CB LYS B 32 11.966 -8.133 -4.110 1.00 0.00 C ATOM 1217 CG LYS B 32 10.644 -8.433 -4.779 1.00 0.00 C ATOM 1218 CD LYS B 32 9.527 -8.414 -3.754 1.00 0.00 C ATOM 1219 CE LYS B 32 8.234 -8.958 -4.320 1.00 0.00 C ATOM 1220 NZ LYS B 32 7.736 -8.144 -5.465 1.00 0.00 N ATOM 0 H LYS B 32 12.951 -10.173 -5.510 1.00 0.00 H new ATOM 0 HA LYS B 32 13.203 -7.226 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS B 32 12.127 -8.862 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.901 -7.154 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.446 -7.697 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.686 -9.408 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.820 -9.005 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.370 -7.393 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS B 32 8.386 -9.987 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 32 7.477 -8.981 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 6.754 -8.411 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.774 -7.135 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 8.332 -8.318 -6.300 1.00 0.00 H new ATOM 1234 N GLY B 33 14.618 -9.511 -3.688 1.00 0.00 N ATOM 1235 CA GLY B 33 15.643 -9.802 -2.724 1.00 0.00 C ATOM 1236 C GLY B 33 15.014 -10.259 -1.428 1.00 0.00 C ATOM 1237 O GLY B 33 15.471 -11.214 -0.799 1.00 0.00 O ATOM 0 H GLY B 33 14.066 -10.322 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.307 -10.576 -3.109 1.00 0.00 H new ATOM 0 HA3 GLY B 33 16.253 -8.916 -2.550 1.00 0.00 H new ATOM 1241 N VAL B 34 13.904 -9.626 -1.069 1.00 0.00 N ATOM 1242 CA VAL B 34 13.216 -9.928 0.178 1.00 0.00 C ATOM 1243 C VAL B 34 11.835 -10.530 -0.070 1.00 0.00 C ATOM 1244 O VAL B 34 11.306 -10.475 -1.185 1.00 0.00 O ATOM 1245 CB VAL B 34 13.058 -8.652 1.038 1.00 0.00 C ATOM 1246 CG1 VAL B 34 14.416 -8.091 1.431 1.00 0.00 C ATOM 1247 CG2 VAL B 34 12.242 -7.600 0.299 1.00 0.00 C ATOM 0 H VAL B 34 13.460 -8.897 -1.627 1.00 0.00 H new ATOM 0 HA VAL B 34 13.827 -10.658 0.708 1.00 0.00 H new ATOM 0 HB VAL B 34 12.524 -8.925 1.948 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.278 -7.194 2.035 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.964 -8.836 2.007 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.980 -7.840 0.533 1.00 0.00 H new ATOM 0 HG21 VAL B 34 12.144 -6.711 0.923 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.745 -7.337 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL B 34 11.252 -7.998 0.076 1.00 0.00 H new ATOM 1257 N ILE B 35 11.287 -11.141 0.971 1.00 0.00 N ATOM 1258 CA ILE B 35 9.919 -11.648 0.958 1.00 0.00 C ATOM 1259 C ILE B 35 9.132 -11.057 2.125 1.00 0.00 C ATOM 1260 O ILE B 35 9.712 -10.497 3.046 1.00 0.00 O ATOM 1261 CB ILE B 35 9.873 -13.190 1.056 1.00 0.00 C ATOM 1262 CG1 ILE B 35 10.743 -13.677 2.218 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.315 -13.822 -0.252 1.00 0.00 C ATOM 1264 CD1 ILE B 35 10.714 -15.178 2.423 1.00 0.00 C ATOM 0 H ILE B 35 11.778 -11.300 1.851 1.00 0.00 H new ATOM 0 HA ILE B 35 9.474 -11.350 0.009 1.00 0.00 H new ATOM 0 HB ILE B 35 8.844 -13.495 1.248 1.00 0.00 H new ATOM 0 HG12 ILE B 35 11.773 -13.364 2.043 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.413 -13.189 3.135 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.276 -14.908 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.652 -13.499 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.335 -13.513 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.355 -15.443 3.264 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.693 -15.497 2.631 1.00 0.00 H new ATOM 0 HD13 ILE B 35 11.074 -15.675 1.522 1.00 0.00 H new ATOM 1276 N LEU B 36 7.817 -11.194 2.083 1.00 0.00 N ATOM 1277 CA LEU B 36 6.954 -10.562 3.077 1.00 0.00 C ATOM 1278 C LEU B 36 6.753 -11.433 4.310 1.00 0.00 C ATOM 1279 O LEU B 36 7.013 -12.635 4.296 1.00 0.00 O ATOM 1280 CB LEU B 36 5.589 -10.231 2.462 1.00 0.00 C ATOM 1281 CG LEU B 36 5.643 -9.335 1.224 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.794 -10.158 -0.049 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.410 -8.463 1.155 1.00 0.00 C ATOM 0 H LEU B 36 7.321 -11.735 1.375 1.00 0.00 H new ATOM 0 HA LEU B 36 7.454 -9.647 3.393 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.090 -11.163 2.197 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.974 -9.744 3.219 1.00 0.00 H new ATOM 0 HG LEU B 36 6.520 -8.694 1.308 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.829 -9.492 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.716 -10.738 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.945 -10.834 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.461 -7.830 0.269 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.522 -9.092 1.101 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.357 -7.837 2.046 1.00 0.00 H new ATOM 1295 N THR B 37 6.281 -10.797 5.375 1.00 0.00 N ATOM 1296 CA THR B 37 5.918 -11.487 6.604 1.00 0.00 C ATOM 1297 C THR B 37 4.402 -11.547 6.686 1.00 0.00 C ATOM 1298 O THR B 37 3.740 -11.083 5.771 1.00 0.00 O ATOM 1299 CB THR B 37 6.467 -10.747 7.842 1.00 0.00 C ATOM 1300 OG1 THR B 37 5.900 -9.429 7.920 1.00 0.00 O ATOM 1301 CG2 THR B 37 7.981 -10.634 7.782 1.00 0.00 C ATOM 0 H THR B 37 6.139 -9.787 5.410 1.00 0.00 H new ATOM 0 HA THR B 37 6.348 -12.488 6.591 1.00 0.00 H new ATOM 0 HB THR B 37 6.191 -11.322 8.726 1.00 0.00 H new ATOM 0 HG1 THR B 37 5.985 -9.090 8.836 1.00 0.00 H new ATOM 0 HG21 THR B 37 8.342 -10.109 8.666 1.00 0.00 H new ATOM 0 HG22 THR B 37 8.419 -11.631 7.749 1.00 0.00 H new ATOM 0 HG23 THR B 37 8.269 -10.081 6.888 1.00 0.00 H new ATOM 1309 N ALA B 38 3.839 -12.094 7.755 1.00 0.00 N ATOM 1310 CA ALA B 38 2.383 -12.194 7.859 1.00 0.00 C ATOM 1311 C ALA B 38 1.730 -10.818 7.869 1.00 0.00 C ATOM 1312 O ALA B 38 0.718 -10.605 7.204 1.00 0.00 O ATOM 1313 CB ALA B 38 1.977 -12.990 9.080 1.00 0.00 C ATOM 0 H ALA B 38 4.354 -12.470 8.551 1.00 0.00 H new ATOM 0 HA ALA B 38 2.028 -12.724 6.975 1.00 0.00 H new ATOM 0 HB1 ALA B 38 0.890 -13.048 9.132 1.00 0.00 H new ATOM 0 HB2 ALA B 38 2.391 -13.996 9.013 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.357 -12.500 9.977 1.00 0.00 H new ATOM 1319 N GLN B 39 2.300 -9.885 8.622 1.00 0.00 N ATOM 1320 CA GLN B 39 1.832 -8.506 8.590 1.00 0.00 C ATOM 1321 C GLN B 39 1.965 -7.930 7.184 1.00 0.00 C ATOM 1322 O GLN B 39 1.087 -7.206 6.712 1.00 0.00 O ATOM 1323 CB GLN B 39 2.601 -7.645 9.591 1.00 0.00 C ATOM 1324 CG GLN B 39 2.272 -6.166 9.489 1.00 0.00 C ATOM 1325 CD GLN B 39 2.811 -5.360 10.650 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.822 -5.712 11.253 1.00 0.00 O ATOM 1327 NE2 GLN B 39 2.141 -4.264 10.959 1.00 0.00 N ATOM 0 H GLN B 39 3.080 -10.056 9.257 1.00 0.00 H new ATOM 0 HA GLN B 39 0.779 -8.500 8.873 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.381 -7.990 10.601 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.670 -7.784 9.433 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.681 -5.772 8.559 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.190 -6.043 9.439 1.00 0.00 H new ATOM 0 HE21 GLN B 39 1.306 -4.011 10.431 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.459 -3.671 11.726 1.00 0.00 H new ATOM 1336 N GLY B 40 3.059 -8.272 6.511 1.00 0.00 N ATOM 1337 CA GLY B 40 3.254 -7.844 5.145 1.00 0.00 C ATOM 1338 C GLY B 40 2.294 -8.535 4.197 1.00 0.00 C ATOM 1339 O GLY B 40 1.902 -7.970 3.181 1.00 0.00 O ATOM 0 H GLY B 40 3.815 -8.841 6.893 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.117 -6.765 5.079 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.279 -8.054 4.841 1.00 0.00 H new ATOM 1343 N TYR B 41 1.905 -9.755 4.541 1.00 0.00 N ATOM 1344 CA TYR B 41 0.936 -10.502 3.755 1.00 0.00 C ATOM 1345 C TYR B 41 -0.448 -9.875 3.870 1.00 0.00 C ATOM 1346 O TYR B 41 -1.215 -9.875 2.904 1.00 0.00 O ATOM 1347 CB TYR B 41 0.877 -11.963 4.231 1.00 0.00 C ATOM 1348 CG TYR B 41 2.085 -12.823 3.898 1.00 0.00 C ATOM 1349 CD1 TYR B 41 2.865 -12.586 2.772 1.00 0.00 C ATOM 1350 CD2 TYR B 41 2.422 -13.900 4.710 1.00 0.00 C ATOM 1351 CE1 TYR B 41 3.947 -13.394 2.470 1.00 0.00 C ATOM 1352 CE2 TYR B 41 3.504 -14.708 4.415 1.00 0.00 C ATOM 1353 CZ TYR B 41 4.262 -14.453 3.295 1.00 0.00 C ATOM 1354 OH TYR B 41 5.334 -15.265 2.996 1.00 0.00 O ATOM 0 H TYR B 41 2.249 -10.250 5.364 1.00 0.00 H new ATOM 0 HA TYR B 41 1.252 -10.474 2.712 1.00 0.00 H new ATOM 0 HB2 TYR B 41 0.741 -11.966 5.312 1.00 0.00 H new ATOM 0 HB3 TYR B 41 -0.007 -12.430 3.797 1.00 0.00 H new ATOM 0 HD1 TYR B 41 2.623 -11.758 2.122 1.00 0.00 H new ATOM 0 HD2 TYR B 41 1.828 -14.109 5.587 1.00 0.00 H new ATOM 0 HE1 TYR B 41 4.543 -13.196 1.591 1.00 0.00 H new ATOM 0 HE2 TYR B 41 3.754 -15.537 5.061 1.00 0.00 H new ATOM 0 HH TYR B 41 5.417 -15.962 3.680 1.00 0.00 H new ATOM 1364 N THR B 42 -0.761 -9.324 5.031 1.00 0.00 N ATOM 1365 CA THR B 42 -1.996 -8.578 5.205 1.00 0.00 C ATOM 1366 C THR B 42 -1.948 -7.268 4.424 1.00 0.00 C ATOM 1367 O THR B 42 -2.949 -6.828 3.853 1.00 0.00 O ATOM 1368 CB THR B 42 -2.239 -8.256 6.690 1.00 0.00 C ATOM 1369 OG1 THR B 42 -2.203 -9.460 7.460 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.576 -7.561 6.890 1.00 0.00 C ATOM 0 H THR B 42 -0.178 -9.379 5.866 1.00 0.00 H new ATOM 0 HA THR B 42 -2.808 -9.201 4.830 1.00 0.00 H new ATOM 0 HB THR B 42 -1.450 -7.583 7.024 1.00 0.00 H new ATOM 0 HG1 THR B 42 -2.353 -9.249 8.405 1.00 0.00 H new ATOM 0 HG21 THR B 42 -3.720 -7.346 7.949 1.00 0.00 H new ATOM 0 HG22 THR B 42 -3.589 -6.629 6.326 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.379 -8.209 6.539 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.768 -6.671 4.363 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.617 -5.363 3.752 1.00 0.00 C ATOM 1380 C LEU B 43 -0.398 -5.481 2.252 1.00 0.00 C ATOM 1381 O LEU B 43 -0.575 -4.506 1.535 1.00 0.00 O ATOM 1382 CB LEU B 43 0.541 -4.579 4.398 1.00 0.00 C ATOM 1383 CG LEU B 43 0.142 -3.551 5.475 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -0.711 -4.200 6.551 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.381 -2.931 6.094 1.00 0.00 C ATOM 0 H LEU B 43 0.096 -7.071 4.729 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.543 -4.814 3.923 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.233 -5.293 4.844 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.085 -4.058 3.610 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.445 -2.767 4.997 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.980 -3.455 7.300 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.617 -4.607 6.101 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.149 -5.005 7.025 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.085 -2.207 6.853 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.987 -3.711 6.554 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.962 -2.429 5.320 1.00 0.00 H new ATOM 1397 N LEU B 44 -0.042 -6.664 1.755 1.00 0.00 N ATOM 1398 CA LEU B 44 0.168 -6.824 0.323 1.00 0.00 C ATOM 1399 C LEU B 44 -1.164 -7.054 -0.379 1.00 0.00 C ATOM 1400 O LEU B 44 -1.428 -6.467 -1.418 1.00 0.00 O ATOM 1401 CB LEU B 44 1.167 -7.962 0.013 1.00 0.00 C ATOM 1402 CG LEU B 44 0.600 -9.387 -0.120 1.00 0.00 C ATOM 1403 CD1 LEU B 44 0.037 -9.630 -1.516 1.00 0.00 C ATOM 1404 CD2 LEU B 44 1.673 -10.419 0.177 1.00 0.00 C ATOM 0 H LEU B 44 0.104 -7.507 2.310 1.00 0.00 H new ATOM 0 HA LEU B 44 0.609 -5.903 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU B 44 1.680 -7.716 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU B 44 1.921 -7.972 0.800 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.208 -9.486 0.605 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.356 -10.645 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.764 -8.918 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU B 44 0.828 -9.501 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.253 -11.420 0.078 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.497 -10.300 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU B 44 2.041 -10.279 1.193 1.00 0.00 H new ATOM 1416 N ASP B 45 -2.016 -7.890 0.204 1.00 0.00 N ATOM 1417 CA ASP B 45 -3.286 -8.236 -0.427 1.00 0.00 C ATOM 1418 C ASP B 45 -4.241 -7.055 -0.383 1.00 0.00 C ATOM 1419 O ASP B 45 -5.153 -6.936 -1.206 1.00 0.00 O ATOM 1420 CB ASP B 45 -3.903 -9.454 0.262 1.00 0.00 C ATOM 1421 CG ASP B 45 -5.267 -9.814 -0.294 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.325 -10.471 -1.351 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -6.284 -9.433 0.318 1.00 0.00 O ATOM 0 H ASP B 45 -1.853 -8.338 1.106 1.00 0.00 H new ATOM 0 HA ASP B 45 -3.100 -8.486 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -3.233 -10.307 0.151 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -3.992 -9.256 1.330 1.00 0.00 H new ATOM 1428 N PHE B 46 -3.994 -6.159 0.553 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.740 -4.919 0.640 1.00 0.00 C ATOM 1430 C PHE B 46 -4.296 -3.965 -0.452 1.00 0.00 C ATOM 1431 O PHE B 46 -5.119 -3.342 -1.119 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.460 -4.290 2.006 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.232 -3.041 2.311 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -4.739 -1.800 1.945 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -6.440 -3.109 2.981 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -5.438 -0.649 2.241 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -7.144 -1.960 3.282 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.642 -0.730 2.910 1.00 0.00 C ATOM 0 H PHE B 46 -3.276 -6.269 1.269 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.805 -5.118 0.519 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.677 -5.028 2.778 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.396 -4.064 2.071 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -3.797 -1.733 1.422 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.837 -4.071 3.272 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.044 0.314 1.950 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.085 -2.024 3.807 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.192 0.170 3.143 1.00 0.00 H new ATOM 1448 N ILE B 47 -2.999 -3.880 -0.667 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.489 -2.944 -1.642 1.00 0.00 C ATOM 1450 C ILE B 47 -2.637 -3.503 -3.057 1.00 0.00 C ATOM 1451 O ILE B 47 -2.810 -2.756 -4.015 1.00 0.00 O ATOM 1452 CB ILE B 47 -1.028 -2.550 -1.349 1.00 0.00 C ATOM 1453 CG1 ILE B 47 -0.126 -3.786 -1.360 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -0.959 -1.849 0.000 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.322 -3.508 -1.007 1.00 0.00 C ATOM 0 H ILE B 47 -2.292 -4.438 -0.188 1.00 0.00 H new ATOM 0 HA ILE B 47 -3.086 -2.035 -1.569 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.675 -1.871 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.524 -4.518 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.165 -4.240 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.073 -1.568 0.212 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.581 -0.954 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.319 -2.522 0.778 1.00 0.00 H new ATOM 0 HD11 ILE B 47 1.889 -4.438 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.742 -2.802 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.377 -3.084 -0.004 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.598 -4.822 -3.172 1.00 0.00 N ATOM 1468 CA GLN B 48 -2.986 -5.493 -4.394 1.00 0.00 C ATOM 1469 C GLN B 48 -4.384 -5.056 -4.799 1.00 0.00 C ATOM 1470 O GLN B 48 -4.571 -4.400 -5.805 1.00 0.00 O ATOM 1471 CB GLN B 48 -2.971 -7.012 -4.191 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.580 -7.623 -4.168 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.848 -7.441 -5.483 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.466 -7.383 -6.544 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.470 -7.356 -5.423 1.00 0.00 N ATOM 0 H GLN B 48 -2.299 -5.449 -2.425 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.277 -5.228 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.475 -7.247 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.548 -7.480 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -0.999 -7.168 -3.366 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.657 -8.687 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN B 48 0.944 -7.409 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.013 -7.238 -6.278 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.326 -5.298 -3.915 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.745 -5.268 -4.248 1.00 0.00 C ATOM 1486 C LYS B 49 -7.295 -3.843 -4.382 1.00 0.00 C ATOM 1487 O LYS B 49 -8.471 -3.653 -4.697 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.488 -6.023 -3.145 1.00 0.00 C ATOM 1489 CG LYS B 49 -8.922 -6.396 -3.471 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.654 -6.954 -2.250 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.892 -8.089 -1.572 1.00 0.00 C ATOM 1492 NZ LYS B 49 -7.912 -7.597 -0.564 1.00 0.00 N ATOM 0 H LYS B 49 -5.135 -5.523 -2.939 1.00 0.00 H new ATOM 0 HA LYS B 49 -6.890 -5.737 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.936 -6.934 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -7.485 -5.412 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.451 -5.518 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.932 -7.136 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -9.816 -6.151 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.637 -7.313 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.601 -8.759 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.368 -8.673 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.686 -8.362 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -7.043 -7.290 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.322 -6.795 -0.044 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.476 -2.827 -4.116 1.00 0.00 N ATOM 1507 CA HIS B 50 -6.921 -1.471 -4.446 1.00 0.00 C ATOM 1508 C HIS B 50 -6.041 -0.778 -5.490 1.00 0.00 C ATOM 1509 O HIS B 50 -6.331 0.354 -5.871 1.00 0.00 O ATOM 1510 CB HIS B 50 -6.997 -0.613 -3.177 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.700 -1.296 -2.045 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -7.103 -1.533 -0.831 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -8.936 -1.840 -1.964 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -7.936 -2.197 -0.057 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -9.057 -2.398 -0.716 1.00 0.00 N ATOM 0 H HIS B 50 -5.550 -2.904 -3.696 1.00 0.00 H new ATOM 0 HA HIS B 50 -7.912 -1.574 -4.889 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -5.987 -0.350 -2.863 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.513 0.319 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -9.689 -1.836 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -7.733 -2.523 0.952 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -9.878 -2.887 -0.359 1.00 0.00 H new ATOM 1524 N LEU B 51 -4.980 -1.433 -5.957 1.00 0.00 N ATOM 1525 CA LEU B 51 -4.161 -0.861 -7.037 1.00 0.00 C ATOM 1526 C LEU B 51 -4.091 -1.800 -8.235 1.00 0.00 C ATOM 1527 O LEU B 51 -4.234 -1.380 -9.381 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.719 -0.567 -6.593 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.510 0.598 -5.611 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -3.229 1.854 -6.077 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -2.954 0.217 -4.217 1.00 0.00 C ATOM 0 H LEU B 51 -4.667 -2.342 -5.617 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.652 0.074 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.315 -1.471 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -2.125 -0.368 -7.485 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.442 0.815 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.060 2.657 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.845 2.152 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.298 1.654 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.796 1.058 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.012 -0.043 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.374 -0.639 -3.872 1.00 0.00 H new ATOM 1543 N ASN B 52 -3.863 -3.071 -7.957 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.527 -4.040 -8.990 1.00 0.00 C ATOM 1545 C ASN B 52 -4.523 -5.191 -9.066 1.00 0.00 C ATOM 1546 O ASN B 52 -4.617 -5.866 -10.086 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.124 -4.584 -8.732 1.00 0.00 C ATOM 1548 CG ASN B 52 -1.075 -3.939 -9.625 1.00 0.00 C ATOM 1549 OD1 ASN B 52 0.084 -3.798 -9.238 1.00 0.00 O ATOM 1550 ND2 ASN B 52 -1.463 -3.561 -10.835 1.00 0.00 N ATOM 0 H ASN B 52 -3.905 -3.461 -7.015 1.00 0.00 H new ATOM 0 HA ASN B 52 -3.567 -3.524 -9.949 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -1.860 -4.417 -7.688 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.121 -5.662 -8.893 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -0.792 -3.139 -11.477 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -2.432 -3.693 -11.124 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.252 -5.427 -7.995 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.269 -6.455 -7.981 1.00 0.00 C ATOM 1559 C LYS B 53 -7.653 -5.827 -7.920 1.00 0.00 C ATOM 1560 O LYS B 53 -8.214 -5.728 -6.813 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.055 -7.398 -6.793 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.308 -8.670 -7.150 1.00 0.00 C ATOM 1563 CD LYS B 53 -5.671 -9.806 -6.205 1.00 0.00 C ATOM 1564 CE LYS B 53 -5.201 -9.551 -4.786 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.524 -10.701 -3.903 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.164 -5.416 -8.982 1.00 0.00 O ATOM 0 H LYS B 53 -5.157 -4.916 -7.117 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.193 -7.035 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.503 -6.869 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.025 -7.663 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -5.543 -8.957 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.234 -8.488 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -6.752 -9.945 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -5.230 -10.733 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.125 -9.376 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -5.673 -8.648 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.414 -10.417 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -6.505 -11.002 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -4.879 -11.490 -4.111 1.00 0.00 H new TER 1580 LYS B 53 HETATM 1581 N FME C 1 -10.883 4.587 13.713 1.00 0.00 N HETATM 1582 CN FME C 1 -10.718 3.353 14.163 1.00 0.00 C HETATM 1583 O1 FME C 1 -11.560 2.795 14.867 1.00 0.00 O HETATM 1584 CA FME C 1 -9.870 5.222 12.886 1.00 0.00 C HETATM 1585 CB FME C 1 -10.486 6.359 12.070 1.00 0.00 C HETATM 1586 CG FME C 1 -9.573 6.890 10.977 1.00 0.00 C HETATM 1587 SD FME C 1 -10.375 8.139 9.955 1.00 0.00 S HETATM 1588 CE FME C 1 -9.179 8.304 8.633 1.00 0.00 C HETATM 1589 C FME C 1 -8.741 5.755 13.760 1.00 0.00 C HETATM 1590 O FME C 1 -8.834 6.847 14.318 1.00 0.00 O HETATM 0 HG3 FME C 1 -8.678 7.316 11.431 1.00 0.00 H new HETATM 0 HG2 FME C 1 -9.248 6.063 10.346 1.00 0.00 H new HETATM 0 HE3 FME C 1 -9.331 9.255 8.122 1.00 0.00 H new HETATM 0 HE2 FME C 1 -8.171 8.272 9.048 1.00 0.00 H new HETATM 0 HE1 FME C 1 -9.306 7.486 7.923 1.00 0.00 H new HETATM 0 HCN FME C 1 -9.808 2.814 13.902 1.00 0.00 H new HETATM 0 HB3 FME C 1 -11.414 6.009 11.618 1.00 0.00 H new HETATM 0 HB2 FME C 1 -10.748 7.176 12.742 1.00 0.00 H new HETATM 0 HA FME C 1 -9.464 4.480 12.198 1.00 0.00 H new HETATM 0 H FME C 1 -11.733 5.099 13.950 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.673 4.980 13.865 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.557 5.337 14.730 1.00 0.00 C ATOM 1603 C VAL C 2 -5.377 5.841 13.897 1.00 0.00 C ATOM 1604 O VAL C 2 -4.393 6.353 14.427 1.00 0.00 O ATOM 1605 CB VAL C 2 -6.128 4.127 15.597 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -5.518 3.027 14.738 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -5.171 4.550 16.703 1.00 0.00 C ATOM 0 H VAL C 2 -7.554 4.100 13.363 1.00 0.00 H new ATOM 0 HA VAL C 2 -6.881 6.138 15.395 1.00 0.00 H new ATOM 0 HB VAL C 2 -7.024 3.726 16.070 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -5.226 2.190 15.372 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -6.251 2.689 14.006 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -4.640 3.414 14.221 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -4.889 3.678 17.293 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -4.278 4.994 16.262 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -5.659 5.281 17.347 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.496 5.717 12.585 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.460 6.196 11.689 1.00 0.00 C ATOM 1619 C ILE C 3 -5.032 7.231 10.726 1.00 0.00 C ATOM 1620 O ILE C 3 -6.103 7.034 10.150 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.788 5.035 10.905 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.553 5.545 10.155 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.768 4.377 9.936 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.758 4.448 9.481 1.00 0.00 C ATOM 0 H ILE C 3 -6.297 5.290 12.120 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.688 6.665 12.299 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.476 4.279 11.626 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.868 6.269 9.403 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.906 6.074 10.855 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -4.266 3.569 9.404 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.614 3.974 10.492 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -5.124 5.117 9.220 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.899 4.883 8.970 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.412 3.736 10.231 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.389 3.934 8.756 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.340 8.349 10.592 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.751 9.397 9.674 1.00 0.00 C ATOM 1638 C ALA C 4 -3.644 9.672 8.672 1.00 0.00 C ATOM 1639 O ALA C 4 -2.461 9.515 8.977 1.00 0.00 O ATOM 1640 CB ALA C 4 -5.106 10.661 10.440 1.00 0.00 C ATOM 0 H ALA C 4 -3.486 8.555 11.110 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.637 9.066 9.132 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.412 11.437 9.739 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -5.924 10.451 11.129 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -4.237 11.002 11.002 1.00 0.00 H new ATOM 1646 N THR C 5 -4.041 10.085 7.475 1.00 0.00 N ATOM 1647 CA THR C 5 -3.107 10.327 6.386 1.00 0.00 C ATOM 1648 C THR C 5 -2.179 11.494 6.717 1.00 0.00 C ATOM 1649 O THR C 5 -1.123 11.646 6.115 1.00 0.00 O ATOM 1650 CB THR C 5 -3.871 10.625 5.078 1.00 0.00 C ATOM 1651 OG1 THR C 5 -4.966 9.709 4.944 1.00 0.00 O ATOM 1652 CG2 THR C 5 -2.959 10.499 3.865 1.00 0.00 C ATOM 0 H THR C 5 -5.016 10.261 7.234 1.00 0.00 H new ATOM 0 HA THR C 5 -2.505 9.428 6.252 1.00 0.00 H new ATOM 0 HB THR C 5 -4.241 11.649 5.126 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.452 9.899 4.115 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.526 10.715 2.959 1.00 0.00 H new ATOM 0 HG22 THR C 5 -2.135 11.207 3.954 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.562 9.485 3.812 1.00 0.00 H new ATOM 1660 N ASP C 6 -2.552 12.270 7.726 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.796 13.458 8.103 1.00 0.00 C ATOM 1662 C ASP C 6 -0.598 13.095 8.970 1.00 0.00 C ATOM 1663 O ASP C 6 0.213 13.955 9.308 1.00 0.00 O ATOM 1664 CB ASP C 6 -2.684 14.447 8.865 1.00 0.00 C ATOM 1665 CG ASP C 6 -3.747 15.088 7.999 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -4.788 14.444 7.751 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -3.561 16.259 7.597 1.00 0.00 O ATOM 0 H ASP C 6 -3.377 12.097 8.300 1.00 0.00 H new ATOM 0 HA ASP C 6 -1.441 13.922 7.183 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -3.165 13.928 9.694 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -2.058 15.228 9.297 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.484 11.821 9.330 1.00 0.00 N ATOM 1673 CA ASP C 7 0.652 11.369 10.126 1.00 0.00 C ATOM 1674 C ASP C 7 1.665 10.642 9.254 1.00 0.00 C ATOM 1675 O ASP C 7 2.824 10.475 9.638 1.00 0.00 O ATOM 1676 CB ASP C 7 0.193 10.421 11.244 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.794 11.051 12.206 1.00 0.00 C ATOM 1678 OD1 ASP C 7 -0.397 11.952 12.974 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -1.971 10.635 12.213 1.00 0.00 O ATOM 0 H ASP C 7 -1.154 11.091 9.087 1.00 0.00 H new ATOM 0 HA ASP C 7 1.115 12.252 10.566 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.262 9.538 10.796 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.066 10.081 11.802 1.00 0.00 H new ATOM 1684 N LEU C 8 1.231 10.217 8.076 1.00 0.00 N ATOM 1685 CA LEU C 8 2.103 9.488 7.161 1.00 0.00 C ATOM 1686 C LEU C 8 2.408 10.325 5.932 1.00 0.00 C ATOM 1687 O LEU C 8 3.363 10.058 5.201 1.00 0.00 O ATOM 1688 CB LEU C 8 1.480 8.154 6.753 1.00 0.00 C ATOM 1689 CG LEU C 8 1.482 7.081 7.842 1.00 0.00 C ATOM 1690 CD1 LEU C 8 0.435 7.369 8.906 1.00 0.00 C ATOM 1691 CD2 LEU C 8 1.259 5.712 7.229 1.00 0.00 C ATOM 0 H LEU C 8 0.283 10.363 7.730 1.00 0.00 H new ATOM 0 HA LEU C 8 3.037 9.281 7.683 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.451 8.331 6.440 1.00 0.00 H new ATOM 0 HB3 LEU C 8 2.016 7.770 5.885 1.00 0.00 H new ATOM 0 HG LEU C 8 2.458 7.094 8.328 1.00 0.00 H new ATOM 0 HD11 LEU C 8 0.463 6.587 9.665 1.00 0.00 H new ATOM 0 HD12 LEU C 8 0.643 8.333 9.370 1.00 0.00 H new ATOM 0 HD13 LEU C 8 -0.553 7.394 8.447 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.263 4.957 8.015 1.00 0.00 H new ATOM 0 HD22 LEU C 8 0.298 5.696 6.714 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.056 5.498 6.517 1.00 0.00 H new ATOM 1703 N GLU C 9 1.593 11.341 5.733 1.00 0.00 N ATOM 1704 CA GLU C 9 1.803 12.306 4.676 1.00 0.00 C ATOM 1705 C GLU C 9 1.602 13.699 5.246 1.00 0.00 C ATOM 1706 O GLU C 9 0.619 13.969 5.937 1.00 0.00 O ATOM 1707 CB GLU C 9 0.870 12.065 3.480 1.00 0.00 C ATOM 1708 CG GLU C 9 1.174 10.780 2.722 1.00 0.00 C ATOM 1709 CD GLU C 9 0.490 10.706 1.369 1.00 0.00 C ATOM 1710 OE1 GLU C 9 -0.695 10.317 1.310 1.00 0.00 O ATOM 1711 OE2 GLU C 9 1.149 11.008 0.349 1.00 0.00 O ATOM 0 H GLU C 9 0.765 11.520 6.301 1.00 0.00 H new ATOM 0 HA GLU C 9 2.820 12.199 4.300 1.00 0.00 H new ATOM 0 HB2 GLU C 9 -0.161 12.034 3.834 1.00 0.00 H new ATOM 0 HB3 GLU C 9 0.946 12.909 2.794 1.00 0.00 H new ATOM 0 HG2 GLU C 9 2.252 10.695 2.582 1.00 0.00 H new ATOM 0 HG3 GLU C 9 0.863 9.928 3.326 1.00 0.00 H new ATOM 1718 N VAL C 10 2.539 14.570 4.961 1.00 0.00 N ATOM 1719 CA VAL C 10 2.540 15.904 5.514 1.00 0.00 C ATOM 1720 C VAL C 10 2.595 16.906 4.378 1.00 0.00 C ATOM 1721 O VAL C 10 3.280 16.686 3.377 1.00 0.00 O ATOM 1722 CB VAL C 10 3.731 16.113 6.485 1.00 0.00 C ATOM 1723 CG1 VAL C 10 5.061 15.822 5.803 1.00 0.00 C ATOM 1724 CG2 VAL C 10 3.725 17.521 7.063 1.00 0.00 C ATOM 0 H VAL C 10 3.323 14.375 4.339 1.00 0.00 H new ATOM 0 HA VAL C 10 1.626 16.050 6.090 1.00 0.00 H new ATOM 0 HB VAL C 10 3.611 15.405 7.305 1.00 0.00 H new ATOM 0 HG11 VAL C 10 5.875 15.978 6.511 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.074 14.788 5.457 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.187 16.491 4.952 1.00 0.00 H new ATOM 0 HG21 VAL C 10 4.571 17.640 7.740 1.00 0.00 H new ATOM 0 HG22 VAL C 10 3.803 18.247 6.254 1.00 0.00 H new ATOM 0 HG23 VAL C 10 2.796 17.686 7.610 1.00 0.00 H new ATOM 1734 N ALA C 11 1.853 17.988 4.515 1.00 0.00 N ATOM 1735 CA ALA C 11 1.794 18.993 3.477 1.00 0.00 C ATOM 1736 C ALA C 11 3.157 19.640 3.287 1.00 0.00 C ATOM 1737 O ALA C 11 3.817 20.043 4.249 1.00 0.00 O ATOM 1738 CB ALA C 11 0.729 20.019 3.831 1.00 0.00 C ATOM 0 H ALA C 11 1.283 18.192 5.336 1.00 0.00 H new ATOM 0 HA ALA C 11 1.522 18.528 2.529 1.00 0.00 H new ATOM 0 HB1 ALA C 11 0.682 20.778 3.051 1.00 0.00 H new ATOM 0 HB2 ALA C 11 -0.239 19.525 3.915 1.00 0.00 H new ATOM 0 HB3 ALA C 11 0.980 20.490 4.781 1.00 0.00 H new ATOM 1744 N CYS C 12 3.563 19.709 2.025 1.00 0.00 N ATOM 1745 CA CYS C 12 4.914 20.058 1.624 1.00 0.00 C ATOM 1746 C CYS C 12 5.347 21.460 2.075 1.00 0.00 C ATOM 1747 O CYS C 12 4.519 22.261 2.491 1.00 0.00 O ATOM 1748 CB CYS C 12 4.973 19.985 0.108 1.00 0.00 C ATOM 1749 SG CYS C 12 6.344 19.022 -0.532 1.00 0.00 S ATOM 0 H CYS C 12 2.945 19.519 1.236 1.00 0.00 H new ATOM 0 HA CYS C 12 5.597 19.358 2.104 1.00 0.00 H new ATOM 0 HB2 CYS C 12 4.041 19.557 -0.260 1.00 0.00 H new ATOM 0 HB3 CYS C 12 5.038 20.997 -0.291 1.00 0.00 H new ATOM 1754 N PRO C 13 6.658 21.781 1.984 1.00 0.00 N ATOM 1755 CA PRO C 13 7.177 23.124 2.296 1.00 0.00 C ATOM 1756 C PRO C 13 6.418 24.266 1.605 1.00 0.00 C ATOM 1757 O PRO C 13 6.230 25.335 2.187 1.00 0.00 O ATOM 1758 CB PRO C 13 8.606 23.054 1.752 1.00 0.00 C ATOM 1759 CG PRO C 13 9.002 21.638 1.941 1.00 0.00 C ATOM 1760 CD PRO C 13 7.756 20.848 1.636 1.00 0.00 C ATOM 0 HA PRO C 13 7.086 23.347 3.359 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.646 23.341 0.701 1.00 0.00 H new ATOM 0 HB3 PRO C 13 9.271 23.728 2.292 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.819 21.363 1.273 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.347 21.456 2.959 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.715 20.553 0.587 1.00 0.00 H new ATOM 0 HD3 PRO C 13 7.707 19.933 2.226 1.00 0.00 H new ATOM 1768 N LYS C 14 5.964 24.031 0.373 1.00 0.00 N ATOM 1769 CA LYS C 14 5.472 25.128 -0.462 1.00 0.00 C ATOM 1770 C LYS C 14 4.342 24.726 -1.419 1.00 0.00 C ATOM 1771 O LYS C 14 3.513 25.562 -1.774 1.00 0.00 O ATOM 1772 CB LYS C 14 6.633 25.714 -1.275 1.00 0.00 C ATOM 1773 CG LYS C 14 6.213 26.812 -2.244 1.00 0.00 C ATOM 1774 CD LYS C 14 7.372 27.264 -3.120 1.00 0.00 C ATOM 1775 CE LYS C 14 6.900 28.211 -4.211 1.00 0.00 C ATOM 1776 NZ LYS C 14 6.256 29.429 -3.652 1.00 0.00 N ATOM 0 H LYS C 14 5.926 23.109 -0.063 1.00 0.00 H new ATOM 0 HA LYS C 14 5.054 25.866 0.222 1.00 0.00 H new ATOM 0 HB2 LYS C 14 7.379 26.114 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS C 14 7.113 24.912 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS C 14 5.400 26.450 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS C 14 5.827 27.663 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS C 14 8.124 27.759 -2.506 1.00 0.00 H new ATOM 0 HD3 LYS C 14 7.851 26.395 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS C 14 7.748 28.502 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS C 14 6.194 27.693 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 6.056 30.100 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 5.366 29.167 -3.182 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 6.894 29.874 -2.962 1.00 0.00 H new ATOM 1790 N CYS C 15 4.284 23.470 -1.855 1.00 0.00 N ATOM 1791 CA CYS C 15 3.356 23.137 -2.937 1.00 0.00 C ATOM 1792 C CYS C 15 2.242 22.178 -2.540 1.00 0.00 C ATOM 1793 O CYS C 15 1.859 21.313 -3.332 1.00 0.00 O ATOM 1794 CB CYS C 15 4.149 22.463 -4.052 1.00 0.00 C ATOM 1795 SG CYS C 15 4.991 20.948 -3.526 1.00 0.00 S ATOM 0 H CYS C 15 4.841 22.695 -1.496 1.00 0.00 H new ATOM 0 HA CYS C 15 2.887 24.075 -3.236 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.475 22.227 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS C 15 4.888 23.165 -4.437 1.00 0.00 H new ATOM 1800 N GLU C 16 1.641 22.402 -1.392 1.00 0.00 N ATOM 1801 CA GLU C 16 0.556 21.554 -0.914 1.00 0.00 C ATOM 1802 C GLU C 16 -0.754 22.118 -1.406 1.00 0.00 C ATOM 1803 O GLU C 16 -1.810 21.912 -0.809 1.00 0.00 O ATOM 1804 CB GLU C 16 0.533 21.524 0.619 1.00 0.00 C ATOM 1805 CG GLU C 16 1.759 22.124 1.281 1.00 0.00 C ATOM 1806 CD GLU C 16 1.666 23.630 1.395 1.00 0.00 C ATOM 1807 OE1 GLU C 16 1.117 24.127 2.402 1.00 0.00 O ATOM 1808 OE2 GLU C 16 2.117 24.320 0.464 1.00 0.00 O ATOM 0 H GLU C 16 1.883 23.168 -0.764 1.00 0.00 H new ATOM 0 HA GLU C 16 0.706 20.541 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.350 22.060 0.967 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.428 20.490 0.948 1.00 0.00 H new ATOM 0 HG2 GLU C 16 1.881 21.693 2.275 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.647 21.859 0.707 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.671 22.811 -2.529 1.00 0.00 N ATOM 1816 CA ARG C 17 -1.713 23.700 -2.968 1.00 0.00 C ATOM 1817 C ARG C 17 -1.719 23.699 -4.496 1.00 0.00 C ATOM 1818 O ARG C 17 -2.711 24.049 -5.133 1.00 0.00 O ATOM 1819 CB ARG C 17 -1.452 25.109 -2.427 1.00 0.00 C ATOM 1820 CG ARG C 17 -0.062 25.629 -2.761 1.00 0.00 C ATOM 1821 CD ARG C 17 0.347 26.781 -1.859 1.00 0.00 C ATOM 1822 NE ARG C 17 -0.505 27.953 -2.029 1.00 0.00 N ATOM 1823 CZ ARG C 17 -0.439 29.032 -1.254 1.00 0.00 C ATOM 1824 NH1 ARG C 17 0.418 29.073 -0.239 1.00 0.00 N ATOM 1825 NH2 ARG C 17 -1.233 30.067 -1.495 1.00 0.00 N ATOM 0 H ARG C 17 0.129 22.767 -3.160 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.684 23.372 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -2.197 25.792 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -1.582 25.106 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG C 17 0.661 24.819 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -0.037 25.956 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG C 17 0.309 26.456 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG C 17 1.381 27.054 -2.070 1.00 0.00 H new ATOM 0 HE ARG C 17 -1.190 27.945 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG C 17 1.027 28.276 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG C 17 0.467 29.901 0.354 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -1.892 30.034 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -1.185 30.896 -0.902 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.571 23.311 -5.072 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.377 23.399 -6.519 1.00 0.00 C ATOM 1841 C ALA C 18 0.255 22.140 -7.109 1.00 0.00 C ATOM 1842 O ALA C 18 -0.065 21.741 -8.230 1.00 0.00 O ATOM 1843 CB ALA C 18 0.469 24.619 -6.855 1.00 0.00 C ATOM 0 H ALA C 18 0.228 22.937 -4.560 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.364 23.497 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA C 18 0.609 24.678 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA C 18 -0.036 25.519 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA C 18 1.440 24.534 -6.367 1.00 0.00 H new ATOM 1849 N GLY C 19 1.153 21.516 -6.354 1.00 0.00 N ATOM 1850 CA GLY C 19 1.821 20.319 -6.834 1.00 0.00 C ATOM 1851 C GLY C 19 3.098 20.615 -7.608 1.00 0.00 C ATOM 1852 O GLY C 19 3.564 19.783 -8.381 1.00 0.00 O ATOM 0 H GLY C 19 1.430 21.817 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY C 19 2.059 19.678 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY C 19 1.137 19.761 -7.473 1.00 0.00 H new ATOM 1856 N GLU C 20 3.690 21.778 -7.358 1.00 0.00 N ATOM 1857 CA GLU C 20 4.905 22.193 -8.059 1.00 0.00 C ATOM 1858 C GLU C 20 5.648 23.246 -7.267 1.00 0.00 C ATOM 1859 O GLU C 20 5.127 23.801 -6.304 1.00 0.00 O ATOM 1860 CB GLU C 20 4.606 22.742 -9.458 1.00 0.00 C ATOM 1861 CG GLU C 20 3.277 23.463 -9.568 1.00 0.00 C ATOM 1862 CD GLU C 20 2.986 23.912 -10.980 1.00 0.00 C ATOM 1863 OE1 GLU C 20 2.828 23.043 -11.858 1.00 0.00 O ATOM 1864 OE2 GLU C 20 2.905 25.132 -11.220 1.00 0.00 O ATOM 0 H GLU C 20 3.349 22.453 -6.674 1.00 0.00 H new ATOM 0 HA GLU C 20 5.523 21.301 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU C 20 5.404 23.427 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU C 20 4.620 21.918 -10.171 1.00 0.00 H new ATOM 0 HG2 GLU C 20 2.479 22.804 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.280 24.329 -8.907 1.00 0.00 H new ATOM 1871 N ILE C 21 6.864 23.508 -7.683 1.00 0.00 N ATOM 1872 CA ILE C 21 7.683 24.539 -7.088 1.00 0.00 C ATOM 1873 C ILE C 21 8.149 25.457 -8.196 1.00 0.00 C ATOM 1874 O ILE C 21 8.937 25.050 -9.039 1.00 0.00 O ATOM 1875 CB ILE C 21 8.918 23.963 -6.358 1.00 0.00 C ATOM 1876 CG1 ILE C 21 8.499 23.011 -5.236 1.00 0.00 C ATOM 1877 CG2 ILE C 21 9.782 25.088 -5.803 1.00 0.00 C ATOM 1878 CD1 ILE C 21 7.774 23.684 -4.091 1.00 0.00 C ATOM 0 H ILE C 21 7.317 23.009 -8.449 1.00 0.00 H new ATOM 0 HA ILE C 21 7.086 25.068 -6.345 1.00 0.00 H new ATOM 0 HB ILE C 21 9.503 23.397 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE C 21 7.856 22.236 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE C 21 9.387 22.513 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE C 21 10.647 24.664 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE C 21 10.119 25.725 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE C 21 9.199 25.681 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.512 22.940 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.421 24.439 -3.645 1.00 0.00 H new ATOM 0 HD13 ILE C 21 6.866 24.158 -4.464 1.00 0.00 H new ATOM 1890 N GLU C 22 7.630 26.671 -8.214 1.00 0.00 N ATOM 1891 CA GLU C 22 7.997 27.642 -9.237 1.00 0.00 C ATOM 1892 C GLU C 22 7.686 27.089 -10.628 1.00 0.00 C ATOM 1893 O GLU C 22 8.539 27.099 -11.514 1.00 0.00 O ATOM 1894 CB GLU C 22 9.489 27.949 -9.118 1.00 0.00 C ATOM 1895 CG GLU C 22 9.844 29.425 -9.200 1.00 0.00 C ATOM 1896 CD GLU C 22 9.498 30.043 -10.537 1.00 0.00 C ATOM 1897 OE1 GLU C 22 10.342 29.997 -11.454 1.00 0.00 O ATOM 1898 OE2 GLU C 22 8.380 30.582 -10.675 1.00 0.00 O ATOM 0 H GLU C 22 6.952 27.012 -7.532 1.00 0.00 H new ATOM 0 HA GLU C 22 7.421 28.556 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU C 22 9.852 27.554 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU C 22 10.019 27.418 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU C 22 9.320 29.963 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU C 22 10.911 29.547 -9.015 1.00 0.00 H new ATOM 1905 N GLY C 23 6.478 26.569 -10.808 1.00 0.00 N ATOM 1906 CA GLY C 23 6.101 25.998 -12.087 1.00 0.00 C ATOM 1907 C GLY C 23 6.852 24.724 -12.441 1.00 0.00 C ATOM 1908 O GLY C 23 6.624 24.146 -13.505 1.00 0.00 O ATOM 0 H GLY C 23 5.753 26.532 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY C 23 5.032 25.787 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY C 23 6.273 26.738 -12.869 1.00 0.00 H new ATOM 1912 N THR C 24 7.732 24.273 -11.560 1.00 0.00 N ATOM 1913 CA THR C 24 8.595 23.145 -11.875 1.00 0.00 C ATOM 1914 C THR C 24 8.362 21.982 -10.891 1.00 0.00 C ATOM 1915 O THR C 24 7.831 22.195 -9.799 1.00 0.00 O ATOM 1916 CB THR C 24 10.072 23.618 -11.876 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.799 22.985 -12.934 1.00 0.00 O ATOM 1918 CG2 THR C 24 10.774 23.350 -10.551 1.00 0.00 C ATOM 0 H THR C 24 7.867 24.667 -10.629 1.00 0.00 H new ATOM 0 HA THR C 24 8.353 22.766 -12.868 1.00 0.00 H new ATOM 0 HB THR C 24 10.053 24.697 -12.029 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.729 23.295 -12.923 1.00 0.00 H new ATOM 0 HG21 THR C 24 11.804 23.701 -10.608 1.00 0.00 H new ATOM 0 HG22 THR C 24 10.255 23.877 -9.751 1.00 0.00 H new ATOM 0 HG23 THR C 24 10.766 22.280 -10.345 1.00 0.00 H new ATOM 1926 N PRO C 25 8.716 20.735 -11.281 1.00 0.00 N ATOM 1927 CA PRO C 25 8.518 19.542 -10.440 1.00 0.00 C ATOM 1928 C PRO C 25 9.198 19.666 -9.080 1.00 0.00 C ATOM 1929 O PRO C 25 10.300 20.201 -8.962 1.00 0.00 O ATOM 1930 CB PRO C 25 9.149 18.404 -11.255 1.00 0.00 C ATOM 1931 CG PRO C 25 10.036 19.088 -12.237 1.00 0.00 C ATOM 1932 CD PRO C 25 9.346 20.381 -12.562 1.00 0.00 C ATOM 0 HA PRO C 25 7.463 19.382 -10.216 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.715 17.726 -10.616 1.00 0.00 H new ATOM 0 HB3 PRO C 25 8.388 17.808 -11.758 1.00 0.00 H new ATOM 0 HG2 PRO C 25 11.026 19.265 -11.816 1.00 0.00 H new ATOM 0 HG3 PRO C 25 10.174 18.481 -13.131 1.00 0.00 H new ATOM 0 HD2 PRO C 25 10.050 21.145 -12.893 1.00 0.00 H new ATOM 0 HD3 PRO C 25 8.610 20.260 -13.357 1.00 0.00 H new ATOM 1940 N CYS C 26 8.525 19.172 -8.052 1.00 0.00 N ATOM 1941 CA CYS C 26 8.993 19.333 -6.692 1.00 0.00 C ATOM 1942 C CYS C 26 9.765 18.114 -6.172 1.00 0.00 C ATOM 1943 O CYS C 26 9.353 16.973 -6.383 1.00 0.00 O ATOM 1944 CB CYS C 26 7.800 19.626 -5.801 1.00 0.00 C ATOM 1945 SG CYS C 26 8.217 19.831 -4.045 1.00 0.00 S ATOM 0 H CYS C 26 7.650 18.655 -8.139 1.00 0.00 H new ATOM 0 HA CYS C 26 9.699 20.163 -6.676 1.00 0.00 H new ATOM 0 HB2 CYS C 26 7.310 20.533 -6.155 1.00 0.00 H new ATOM 0 HB3 CYS C 26 7.079 18.815 -5.900 1.00 0.00 H new ATOM 1950 N PRO C 27 10.875 18.388 -5.441 1.00 0.00 N ATOM 1951 CA PRO C 27 11.815 17.404 -4.881 1.00 0.00 C ATOM 1952 C PRO C 27 11.233 16.030 -4.538 1.00 0.00 C ATOM 1953 O PRO C 27 11.698 15.007 -5.037 1.00 0.00 O ATOM 1954 CB PRO C 27 12.247 18.101 -3.593 1.00 0.00 C ATOM 1955 CG PRO C 27 12.251 19.560 -3.914 1.00 0.00 C ATOM 1956 CD PRO C 27 11.336 19.754 -5.111 1.00 0.00 C ATOM 0 HA PRO C 27 12.592 17.163 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.559 17.880 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO C 27 13.235 17.765 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.901 20.143 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO C 27 13.261 19.902 -4.141 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.499 20.409 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.866 20.208 -5.948 1.00 0.00 H new ATOM 1964 N ALA C 28 10.202 16.017 -3.704 1.00 0.00 N ATOM 1965 CA ALA C 28 9.737 14.773 -3.095 1.00 0.00 C ATOM 1966 C ALA C 28 8.251 14.543 -3.333 1.00 0.00 C ATOM 1967 O ALA C 28 7.703 13.504 -2.971 1.00 0.00 O ATOM 1968 CB ALA C 28 10.041 14.782 -1.603 1.00 0.00 C ATOM 0 H ALA C 28 9.673 16.846 -3.433 1.00 0.00 H new ATOM 0 HA ALA C 28 10.271 13.950 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA C 28 9.692 13.852 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA C 28 11.116 14.877 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.533 15.624 -1.133 1.00 0.00 H new ATOM 1974 N CYS C 29 7.595 15.515 -3.940 1.00 0.00 N ATOM 1975 CA CYS C 29 6.175 15.398 -4.224 1.00 0.00 C ATOM 1976 C CYS C 29 5.912 15.752 -5.685 1.00 0.00 C ATOM 1977 O CYS C 29 5.834 16.928 -6.041 1.00 0.00 O ATOM 1978 CB CYS C 29 5.369 16.312 -3.281 1.00 0.00 C ATOM 1979 SG CYS C 29 5.687 18.083 -3.499 1.00 0.00 S ATOM 0 H CYS C 29 8.020 16.391 -4.245 1.00 0.00 H new ATOM 0 HA CYS C 29 5.855 14.370 -4.054 1.00 0.00 H new ATOM 0 HB2 CYS C 29 4.306 16.125 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.595 16.039 -2.250 1.00 0.00 H new ATOM 1984 N SER C 30 5.802 14.740 -6.537 1.00 0.00 N ATOM 1985 CA SER C 30 5.596 14.953 -7.964 1.00 0.00 C ATOM 1986 C SER C 30 4.150 15.340 -8.289 1.00 0.00 C ATOM 1987 O SER C 30 3.513 14.742 -9.154 1.00 0.00 O ATOM 1988 CB SER C 30 5.986 13.675 -8.705 1.00 0.00 C ATOM 1989 OG SER C 30 5.479 12.534 -8.030 1.00 0.00 O ATOM 0 H SER C 30 5.852 13.759 -6.262 1.00 0.00 H new ATOM 0 HA SER C 30 6.221 15.786 -8.286 1.00 0.00 H new ATOM 0 HB2 SER C 30 5.597 13.705 -9.723 1.00 0.00 H new ATOM 0 HB3 SER C 30 7.071 13.608 -8.780 1.00 0.00 H new ATOM 0 HG SER C 30 5.736 11.724 -8.518 1.00 0.00 H new ATOM 1995 N GLY C 31 3.636 16.338 -7.586 1.00 0.00 N ATOM 1996 CA GLY C 31 2.314 16.834 -7.884 1.00 0.00 C ATOM 1997 C GLY C 31 1.241 16.167 -7.055 1.00 0.00 C ATOM 1998 O GLY C 31 0.216 15.744 -7.586 1.00 0.00 O ATOM 0 H GLY C 31 4.111 16.810 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.286 17.910 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY C 31 2.101 16.677 -8.941 1.00 0.00 H new ATOM 2002 N LYS C 32 1.470 16.059 -5.752 1.00 0.00 N ATOM 2003 CA LYS C 32 0.468 15.518 -4.846 1.00 0.00 C ATOM 2004 C LYS C 32 -0.046 16.637 -3.952 1.00 0.00 C ATOM 2005 O LYS C 32 -1.242 16.765 -3.701 1.00 0.00 O ATOM 2006 CB LYS C 32 1.071 14.444 -3.938 1.00 0.00 C ATOM 2007 CG LYS C 32 2.000 13.465 -4.627 1.00 0.00 C ATOM 2008 CD LYS C 32 2.557 12.475 -3.619 1.00 0.00 C ATOM 2009 CE LYS C 32 3.675 11.637 -4.205 1.00 0.00 C ATOM 2010 NZ LYS C 32 3.211 10.792 -5.344 1.00 0.00 N ATOM 0 H LYS C 32 2.341 16.339 -5.301 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.332 15.083 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS C 32 1.619 14.936 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS C 32 0.258 13.885 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS C 32 1.463 12.933 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.816 14.004 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS C 32 2.927 13.015 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS C 32 1.757 11.821 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS C 32 4.477 12.292 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS C 32 4.093 10.997 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 3.931 10.072 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 2.318 10.324 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 3.060 11.390 -6.181 1.00 0.00 H new ATOM 2024 N GLY C 33 0.899 17.439 -3.471 1.00 0.00 N ATOM 2025 CA GLY C 33 0.620 18.448 -2.487 1.00 0.00 C ATOM 2026 C GLY C 33 1.336 18.118 -1.195 1.00 0.00 C ATOM 2027 O GLY C 33 1.910 18.991 -0.545 1.00 0.00 O ATOM 0 H GLY C 33 1.876 17.398 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.941 19.423 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.454 18.511 -2.312 1.00 0.00 H new ATOM 2031 N VAL C 34 1.369 16.835 -0.861 1.00 0.00 N ATOM 2032 CA VAL C 34 1.980 16.380 0.379 1.00 0.00 C ATOM 2033 C VAL C 34 3.189 15.484 0.116 1.00 0.00 C ATOM 2034 O VAL C 34 3.402 15.012 -1.006 1.00 0.00 O ATOM 2035 CB VAL C 34 0.957 15.597 1.237 1.00 0.00 C ATOM 2036 CG1 VAL C 34 -0.217 16.480 1.630 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.466 14.363 0.496 1.00 0.00 C ATOM 0 H VAL C 34 0.978 16.088 -1.435 1.00 0.00 H new ATOM 0 HA VAL C 34 2.310 17.270 0.915 1.00 0.00 H new ATOM 0 HB VAL C 34 1.462 15.277 2.148 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.920 15.904 2.232 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.145 17.330 2.208 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.719 16.840 0.732 1.00 0.00 H new ATOM 0 HG21 VAL C 34 -0.252 13.827 1.117 1.00 0.00 H new ATOM 0 HG22 VAL C 34 -0.014 14.665 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.311 13.711 0.274 1.00 0.00 H new ATOM 2047 N ILE C 35 3.991 15.295 1.154 1.00 0.00 N ATOM 2048 CA ILE C 35 5.109 14.359 1.131 1.00 0.00 C ATOM 2049 C ILE C 35 4.987 13.369 2.284 1.00 0.00 C ATOM 2050 O ILE C 35 4.204 13.577 3.203 1.00 0.00 O ATOM 2051 CB ILE C 35 6.469 15.079 1.240 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.458 16.060 2.419 1.00 0.00 C ATOM 2053 CG2 ILE C 35 6.804 15.792 -0.057 1.00 0.00 C ATOM 2054 CD1 ILE C 35 7.769 16.783 2.632 1.00 0.00 C ATOM 0 H ILE C 35 3.885 15.788 2.041 1.00 0.00 H new ATOM 0 HA ILE C 35 5.069 13.838 0.175 1.00 0.00 H new ATOM 0 HB ILE C 35 7.243 14.334 1.422 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.671 16.797 2.258 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.203 15.516 3.328 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.767 16.293 0.042 1.00 0.00 H new ATOM 0 HG22 ILE C 35 6.854 15.066 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE C 35 6.032 16.529 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE C 35 7.678 17.457 3.484 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.558 16.056 2.827 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.017 17.357 1.739 1.00 0.00 H new ATOM 2066 N LEU C 36 5.768 12.305 2.235 1.00 0.00 N ATOM 2067 CA LEU C 36 5.657 11.230 3.219 1.00 0.00 C ATOM 2068 C LEU C 36 6.510 11.479 4.457 1.00 0.00 C ATOM 2069 O LEU C 36 7.408 12.319 4.459 1.00 0.00 O ATOM 2070 CB LEU C 36 6.053 9.890 2.588 1.00 0.00 C ATOM 2071 CG LEU C 36 5.252 9.504 1.343 1.00 0.00 C ATOM 2072 CD1 LEU C 36 5.892 10.062 0.078 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.112 8.003 1.253 1.00 0.00 C ATOM 0 H LEU C 36 6.487 12.157 1.527 1.00 0.00 H new ATOM 0 HA LEU C 36 4.615 11.201 3.537 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.110 9.927 2.325 1.00 0.00 H new ATOM 0 HB3 LEU C 36 5.937 9.105 3.335 1.00 0.00 H new ATOM 0 HG LEU C 36 4.258 9.942 1.432 1.00 0.00 H new ATOM 0 HD11 LEU C 36 5.299 9.770 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU C 36 5.933 11.149 0.140 1.00 0.00 H new ATOM 0 HD13 LEU C 36 6.902 9.666 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU C 36 4.540 7.744 0.362 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.101 7.548 1.194 1.00 0.00 H new ATOM 0 HD23 LEU C 36 4.594 7.632 2.138 1.00 0.00 H new ATOM 2085 N THR C 37 6.205 10.731 5.510 1.00 0.00 N ATOM 2086 CA THR C 37 6.985 10.746 6.737 1.00 0.00 C ATOM 2087 C THR C 37 7.798 9.461 6.799 1.00 0.00 C ATOM 2088 O THR C 37 7.722 8.667 5.874 1.00 0.00 O ATOM 2089 CB THR C 37 6.071 10.832 7.978 1.00 0.00 C ATOM 2090 OG1 THR C 37 5.234 9.668 8.053 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.194 12.072 7.925 1.00 0.00 C ATOM 0 H THR C 37 5.407 10.096 5.535 1.00 0.00 H new ATOM 0 HA THR C 37 7.636 11.621 6.736 1.00 0.00 H new ATOM 0 HB THR C 37 6.708 10.889 8.860 1.00 0.00 H new ATOM 0 HG1 THR C 37 4.902 9.562 8.969 1.00 0.00 H new ATOM 0 HG21 THR C 37 4.560 12.108 8.811 1.00 0.00 H new ATOM 0 HG22 THR C 37 5.823 12.962 7.893 1.00 0.00 H new ATOM 0 HG23 THR C 37 4.569 12.037 7.033 1.00 0.00 H new ATOM 2099 N ALA C 38 8.563 9.233 7.860 1.00 0.00 N ATOM 2100 CA ALA C 38 9.372 8.014 7.942 1.00 0.00 C ATOM 2101 C ALA C 38 8.498 6.767 7.940 1.00 0.00 C ATOM 2102 O ALA C 38 8.810 5.790 7.262 1.00 0.00 O ATOM 2103 CB ALA C 38 10.273 8.031 9.157 1.00 0.00 C ATOM 0 H ALA C 38 8.643 9.859 8.662 1.00 0.00 H new ATOM 0 HA ALA C 38 10.003 7.985 7.054 1.00 0.00 H new ATOM 0 HB1 ALA C 38 10.859 7.113 9.188 1.00 0.00 H new ATOM 0 HB2 ALA C 38 10.944 8.888 9.100 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.666 8.104 10.059 1.00 0.00 H new ATOM 2109 N GLN C 39 7.407 6.792 8.696 1.00 0.00 N ATOM 2110 CA GLN C 39 6.446 5.698 8.650 1.00 0.00 C ATOM 2111 C GLN C 39 5.883 5.540 7.240 1.00 0.00 C ATOM 2112 O GLN C 39 5.707 4.424 6.753 1.00 0.00 O ATOM 2113 CB GLN C 39 5.312 5.923 9.652 1.00 0.00 C ATOM 2114 CG GLN C 39 4.202 4.892 9.536 1.00 0.00 C ATOM 2115 CD GLN C 39 3.224 4.945 10.687 1.00 0.00 C ATOM 2116 OE1 GLN C 39 3.008 5.991 11.290 1.00 0.00 O ATOM 2117 NE2 GLN C 39 2.617 3.808 10.987 1.00 0.00 N ATOM 0 H GLN C 39 7.168 7.546 9.339 1.00 0.00 H new ATOM 0 HA GLN C 39 6.966 4.780 8.924 1.00 0.00 H new ATOM 0 HB2 GLN C 39 5.718 5.899 10.663 1.00 0.00 H new ATOM 0 HB3 GLN C 39 4.893 6.918 9.501 1.00 0.00 H new ATOM 0 HG2 GLN C 39 3.664 5.050 8.601 1.00 0.00 H new ATOM 0 HG3 GLN C 39 4.642 3.896 9.486 1.00 0.00 H new ATOM 0 HE21 GLN C 39 2.828 2.962 10.458 1.00 0.00 H new ATOM 0 HE22 GLN C 39 1.938 3.778 11.747 1.00 0.00 H new ATOM 2126 N GLY C 40 5.623 6.667 6.586 1.00 0.00 N ATOM 2127 CA GLY C 40 5.156 6.638 5.221 1.00 0.00 C ATOM 2128 C GLY C 40 6.232 6.163 4.266 1.00 0.00 C ATOM 2129 O GLY C 40 5.937 5.560 3.240 1.00 0.00 O ATOM 0 H GLY C 40 5.729 7.601 6.982 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.290 5.981 5.148 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.826 7.635 4.929 1.00 0.00 H new ATOM 2133 N TYR C 41 7.485 6.426 4.615 1.00 0.00 N ATOM 2134 CA TYR C 41 8.613 5.965 3.821 1.00 0.00 C ATOM 2135 C TYR C 41 8.757 4.451 3.916 1.00 0.00 C ATOM 2136 O TYR C 41 9.111 3.797 2.933 1.00 0.00 O ATOM 2137 CB TYR C 41 9.909 6.637 4.303 1.00 0.00 C ATOM 2138 CG TYR C 41 10.047 8.117 3.980 1.00 0.00 C ATOM 2139 CD1 TYR C 41 9.458 8.676 2.852 1.00 0.00 C ATOM 2140 CD2 TYR C 41 10.797 8.950 4.802 1.00 0.00 C ATOM 2141 CE1 TYR C 41 9.610 10.019 2.556 1.00 0.00 C ATOM 2142 CE2 TYR C 41 10.949 10.294 4.515 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.354 10.823 3.392 1.00 0.00 C ATOM 2144 OH TYR C 41 10.510 12.161 3.098 1.00 0.00 O ATOM 0 H TYR C 41 7.745 6.958 5.446 1.00 0.00 H new ATOM 0 HA TYR C 41 8.430 6.235 2.781 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.981 6.512 5.383 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.755 6.108 3.864 1.00 0.00 H new ATOM 0 HD1 TYR C 41 8.871 8.051 2.195 1.00 0.00 H new ATOM 0 HD2 TYR C 41 11.270 8.540 5.682 1.00 0.00 H new ATOM 0 HE1 TYR C 41 9.147 10.435 1.673 1.00 0.00 H new ATOM 0 HE2 TYR C 41 11.532 10.926 5.169 1.00 0.00 H new ATOM 0 HH TYR C 41 11.061 12.585 3.788 1.00 0.00 H new ATOM 2154 N THR C 42 8.446 3.890 5.074 1.00 0.00 N ATOM 2155 CA THR C 42 8.420 2.444 5.227 1.00 0.00 C ATOM 2156 C THR C 42 7.258 1.841 4.441 1.00 0.00 C ATOM 2157 O THR C 42 7.373 0.757 3.862 1.00 0.00 O ATOM 2158 CB THR C 42 8.259 2.054 6.709 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.275 2.679 7.496 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.330 0.547 6.887 1.00 0.00 C ATOM 0 H THR C 42 8.209 4.411 5.918 1.00 0.00 H new ATOM 0 HA THR C 42 9.365 2.058 4.846 1.00 0.00 H new ATOM 0 HB THR C 42 7.280 2.397 7.043 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.282 2.286 8.394 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.214 0.299 7.942 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.532 0.075 6.313 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.295 0.184 6.534 1.00 0.00 H new ATOM 2168 N LEU C 43 6.154 2.572 4.384 1.00 0.00 N ATOM 2169 CA LEU C 43 4.946 2.060 3.766 1.00 0.00 C ATOM 2170 C LEU C 43 4.937 2.329 2.269 1.00 0.00 C ATOM 2171 O LEU C 43 4.182 1.696 1.543 1.00 0.00 O ATOM 2172 CB LEU C 43 3.690 2.662 4.420 1.00 0.00 C ATOM 2173 CG LEU C 43 3.001 1.786 5.486 1.00 0.00 C ATOM 2174 CD1 LEU C 43 3.989 1.364 6.561 1.00 0.00 C ATOM 2175 CD2 LEU C 43 1.839 2.536 6.111 1.00 0.00 C ATOM 0 H LEU C 43 6.073 3.518 4.758 1.00 0.00 H new ATOM 0 HA LEU C 43 4.933 0.981 3.922 1.00 0.00 H new ATOM 0 HB2 LEU C 43 3.963 3.612 4.879 1.00 0.00 H new ATOM 0 HB3 LEU C 43 2.966 2.883 3.636 1.00 0.00 H new ATOM 0 HG LEU C 43 2.622 0.889 4.997 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.480 0.747 7.301 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.798 0.792 6.107 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.399 2.250 7.047 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.361 1.906 6.862 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.206 3.448 6.582 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.114 2.793 5.339 1.00 0.00 H new ATOM 2187 N LEU C 44 5.785 3.236 1.786 1.00 0.00 N ATOM 2188 CA LEU C 44 5.818 3.517 0.359 1.00 0.00 C ATOM 2189 C LEU C 44 6.689 2.491 -0.356 1.00 0.00 C ATOM 2190 O LEU C 44 6.316 1.984 -1.404 1.00 0.00 O ATOM 2191 CB LEU C 44 6.297 4.959 0.072 1.00 0.00 C ATOM 2192 CG LEU C 44 7.813 5.187 -0.067 1.00 0.00 C ATOM 2193 CD1 LEU C 44 8.290 4.852 -1.476 1.00 0.00 C ATOM 2194 CD2 LEU C 44 8.169 6.625 0.256 1.00 0.00 C ATOM 0 H LEU C 44 6.442 3.775 2.349 1.00 0.00 H new ATOM 0 HA LEU C 44 4.802 3.439 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.820 5.296 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU C 44 5.932 5.601 0.874 1.00 0.00 H new ATOM 0 HG LEU C 44 8.312 4.525 0.641 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.364 5.022 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU C 44 8.073 3.806 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.774 5.488 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.245 6.766 0.152 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.648 7.292 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU C 44 7.871 6.853 1.279 1.00 0.00 H new ATOM 2206 N ASP C 45 7.835 2.163 0.229 1.00 0.00 N ATOM 2207 CA ASP C 45 8.775 1.245 -0.407 1.00 0.00 C ATOM 2208 C ASP C 45 8.231 -0.172 -0.388 1.00 0.00 C ATOM 2209 O ASP C 45 8.591 -1.009 -1.222 1.00 0.00 O ATOM 2210 CB ASP C 45 10.129 1.310 0.300 1.00 0.00 C ATOM 2211 CG ASP C 45 11.140 0.343 -0.282 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.700 0.650 -1.352 1.00 0.00 O ATOM 2213 OD2 ASP C 45 11.372 -0.726 0.320 1.00 0.00 O ATOM 0 H ASP C 45 8.136 2.516 1.138 1.00 0.00 H new ATOM 0 HA ASP C 45 8.908 1.544 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.522 2.325 0.231 1.00 0.00 H new ATOM 0 HB3 ASP C 45 9.992 1.092 1.359 1.00 0.00 H new ATOM 2218 N PHE C 46 7.328 -0.422 0.539 1.00 0.00 N ATOM 2219 CA PHE C 46 6.628 -1.687 0.601 1.00 0.00 C ATOM 2220 C PHE C 46 5.585 -1.760 -0.498 1.00 0.00 C ATOM 2221 O PHE C 46 5.468 -2.771 -1.188 1.00 0.00 O ATOM 2222 CB PHE C 46 5.937 -1.779 1.962 1.00 0.00 C ATOM 2223 CG PHE C 46 5.243 -3.076 2.248 1.00 0.00 C ATOM 2224 CD1 PHE C 46 3.922 -3.266 1.879 1.00 0.00 C ATOM 2225 CD2 PHE C 46 5.907 -4.098 2.903 1.00 0.00 C ATOM 2226 CE1 PHE C 46 3.277 -4.452 2.158 1.00 0.00 C ATOM 2227 CE2 PHE C 46 5.266 -5.286 3.189 1.00 0.00 C ATOM 2228 CZ PHE C 46 3.949 -5.462 2.812 1.00 0.00 C ATOM 0 H PHE C 46 7.061 0.242 1.266 1.00 0.00 H new ATOM 0 HA PHE C 46 7.332 -2.509 0.469 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.681 -1.606 2.740 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.207 -0.973 2.034 1.00 0.00 H new ATOM 0 HD1 PHE C 46 3.391 -2.477 1.367 1.00 0.00 H new ATOM 0 HD2 PHE C 46 6.939 -3.964 3.194 1.00 0.00 H new ATOM 0 HE1 PHE C 46 2.247 -4.589 1.865 1.00 0.00 H new ATOM 0 HE2 PHE C 46 5.792 -6.075 3.706 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.445 -6.392 3.030 1.00 0.00 H new ATOM 2238 N ILE C 47 4.860 -0.679 -0.696 1.00 0.00 N ATOM 2239 CA ILE C 47 3.795 -0.691 -1.672 1.00 0.00 C ATOM 2240 C ILE C 47 4.352 -0.516 -3.084 1.00 0.00 C ATOM 2241 O ILE C 47 3.792 -1.024 -4.050 1.00 0.00 O ATOM 2242 CB ILE C 47 2.721 0.371 -1.363 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.336 1.773 -1.353 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.078 0.060 -0.021 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.370 2.879 -0.982 1.00 0.00 C ATOM 0 H ILE C 47 4.986 0.205 -0.202 1.00 0.00 H new ATOM 0 HA ILE C 47 3.309 -1.665 -1.614 1.00 0.00 H new ATOM 0 HB ILE C 47 1.958 0.346 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.170 1.785 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.747 1.983 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.318 0.809 0.201 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.615 -0.926 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.839 0.074 0.759 1.00 0.00 H new ATOM 0 HD11 ILE C 47 2.890 3.837 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.548 2.899 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE C 47 1.977 2.698 0.018 1.00 0.00 H new ATOM 2257 N GLN C 48 5.475 0.180 -3.192 1.00 0.00 N ATOM 2258 CA GLN C 48 6.247 0.204 -4.418 1.00 0.00 C ATOM 2259 C GLN C 48 6.556 -1.218 -4.855 1.00 0.00 C ATOM 2260 O GLN C 48 6.065 -1.686 -5.862 1.00 0.00 O ATOM 2261 CB GLN C 48 7.560 0.965 -4.200 1.00 0.00 C ATOM 2262 CG GLN C 48 7.401 2.475 -4.135 1.00 0.00 C ATOM 2263 CD GLN C 48 6.927 3.071 -5.449 1.00 0.00 C ATOM 2264 OE1 GLN C 48 7.234 2.554 -6.524 1.00 0.00 O ATOM 2265 NE2 GLN C 48 6.178 4.158 -5.371 1.00 0.00 N ATOM 0 H GLN C 48 5.871 0.739 -2.436 1.00 0.00 H new ATOM 0 HA GLN C 48 5.666 0.707 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN C 48 8.018 0.619 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.249 0.718 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.690 2.728 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.355 2.925 -3.859 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.947 4.554 -4.460 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.831 4.601 -6.222 1.00 0.00 H new ATOM 2274 N LYS C 49 7.250 -1.929 -3.998 1.00 0.00 N ATOM 2275 CA LYS C 49 7.925 -3.170 -4.359 1.00 0.00 C ATOM 2276 C LYS C 49 6.966 -4.360 -4.481 1.00 0.00 C ATOM 2277 O LYS C 49 7.389 -5.474 -4.798 1.00 0.00 O ATOM 2278 CB LYS C 49 8.969 -3.427 -3.279 1.00 0.00 C ATOM 2279 CG LYS C 49 9.964 -4.533 -3.574 1.00 0.00 C ATOM 2280 CD LYS C 49 10.808 -4.880 -2.346 1.00 0.00 C ATOM 2281 CE LYS C 49 11.435 -3.650 -1.695 1.00 0.00 C ATOM 2282 NZ LYS C 49 10.556 -3.050 -0.651 1.00 0.00 N ATOM 0 H LYS C 49 7.368 -1.667 -3.019 1.00 0.00 H new ATOM 0 HA LYS C 49 8.378 -3.065 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.521 -2.503 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.452 -3.667 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS C 49 9.430 -5.422 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS C 49 10.618 -4.225 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.184 -5.395 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.597 -5.574 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS C 49 12.390 -3.926 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS C 49 11.646 -2.904 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.127 -2.456 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 9.824 -2.468 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 10.103 -3.808 -0.101 1.00 0.00 H new ATOM 2296 N HIS C 50 5.678 -4.161 -4.208 1.00 0.00 N ATOM 2297 CA HIS C 50 4.722 -5.220 -4.550 1.00 0.00 C ATOM 2298 C HIS C 50 3.679 -4.791 -5.586 1.00 0.00 C ATOM 2299 O HIS C 50 2.841 -5.601 -5.973 1.00 0.00 O ATOM 2300 CB HIS C 50 4.018 -5.730 -3.284 1.00 0.00 C ATOM 2301 CG HIS C 50 4.959 -6.013 -2.155 1.00 0.00 C ATOM 2302 ND1 HIS C 50 4.864 -5.396 -0.932 1.00 0.00 N ATOM 2303 CD2 HIS C 50 6.047 -6.813 -2.084 1.00 0.00 C ATOM 2304 CE1 HIS C 50 5.852 -5.798 -0.161 1.00 0.00 C ATOM 2305 NE2 HIS C 50 6.587 -6.659 -0.832 1.00 0.00 N ATOM 0 H HIS C 50 5.284 -3.326 -3.775 1.00 0.00 H new ATOM 0 HA HIS C 50 5.305 -6.021 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.286 -4.990 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.467 -6.639 -3.525 1.00 0.00 H new ATOM 0 HD2 HIS C 50 6.422 -7.455 -2.868 1.00 0.00 H new ATOM 0 HE1 HIS C 50 6.030 -5.475 0.854 1.00 0.00 H new ATOM 0 HE2 HIS C 50 7.419 -7.133 -0.480 1.00 0.00 H new ATOM 2314 N LEU C 51 3.714 -3.538 -6.035 1.00 0.00 N ATOM 2315 CA LEU C 51 2.806 -3.103 -7.107 1.00 0.00 C ATOM 2316 C LEU C 51 3.579 -2.563 -8.305 1.00 0.00 C ATOM 2317 O LEU C 51 3.269 -2.868 -9.456 1.00 0.00 O ATOM 2318 CB LEU C 51 1.835 -2.004 -6.643 1.00 0.00 C ATOM 2319 CG LEU C 51 0.731 -2.415 -5.653 1.00 0.00 C ATOM 2320 CD1 LEU C 51 -0.001 -3.660 -6.123 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.293 -2.624 -4.266 1.00 0.00 C ATOM 0 H LEU C 51 4.345 -2.816 -5.686 1.00 0.00 H new ATOM 0 HA LEU C 51 2.240 -3.991 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.421 -1.207 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.357 -1.581 -7.526 1.00 0.00 H new ATOM 0 HG LEU C 51 0.012 -1.597 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -0.774 -3.922 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.461 -3.468 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.706 -4.485 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.490 -2.914 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU C 51 2.046 -3.411 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.748 -1.698 -3.915 1.00 0.00 H new ATOM 2333 N ASN C 52 4.585 -1.755 -8.018 1.00 0.00 N ATOM 2334 CA ASN C 52 5.268 -0.969 -9.037 1.00 0.00 C ATOM 2335 C ASN C 52 6.762 -1.273 -9.111 1.00 0.00 C ATOM 2336 O ASN C 52 7.397 -1.035 -10.138 1.00 0.00 O ATOM 2337 CB ASN C 52 5.055 0.518 -8.754 1.00 0.00 C ATOM 2338 CG ASN C 52 3.997 1.140 -9.654 1.00 0.00 C ATOM 2339 OD1 ASN C 52 3.317 2.091 -9.267 1.00 0.00 O ATOM 2340 ND2 ASN C 52 3.859 0.623 -10.867 1.00 0.00 N ATOM 0 H ASN C 52 4.952 -1.624 -7.076 1.00 0.00 H new ATOM 0 HA ASN C 52 4.840 -1.239 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.762 0.647 -7.712 1.00 0.00 H new ATOM 0 HB3 ASN C 52 5.998 1.048 -8.888 1.00 0.00 H new ATOM 0 HD21 ASN C 52 3.173 1.013 -11.513 1.00 0.00 H new ATOM 0 HD22 ASN C 52 4.439 -0.165 -11.155 1.00 0.00 H new ATOM 2347 N LYS C 53 7.322 -1.785 -8.031 1.00 0.00 N ATOM 2348 CA LYS C 53 8.724 -2.148 -8.002 1.00 0.00 C ATOM 2349 C LYS C 53 8.868 -3.660 -7.954 1.00 0.00 C ATOM 2350 O LYS C 53 9.319 -4.186 -6.919 1.00 0.00 O ATOM 2351 CB LYS C 53 9.429 -1.507 -6.796 1.00 0.00 C ATOM 2352 CG LYS C 53 10.073 -0.165 -7.109 1.00 0.00 C ATOM 2353 CD LYS C 53 11.273 0.099 -6.211 1.00 0.00 C ATOM 2354 CE LYS C 53 10.875 0.314 -4.763 1.00 0.00 C ATOM 2355 NZ LYS C 53 12.063 0.610 -3.919 1.00 0.00 N ATOM 2356 OXT LYS C 53 8.497 -4.319 -8.947 1.00 0.00 O ATOM 0 H LYS C 53 6.823 -1.959 -7.159 1.00 0.00 H new ATOM 0 HA LYS C 53 9.197 -1.775 -8.910 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.706 -1.374 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS C 53 10.194 -2.190 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS C 53 10.387 -0.145 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.339 0.631 -6.981 1.00 0.00 H new ATOM 0 HD2 LYS C 53 11.963 -0.742 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS C 53 11.808 0.977 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.164 1.137 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS C 53 10.370 -0.575 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.777 0.652 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 12.773 -0.139 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 12.470 1.524 -4.201 1.00 0.00 H new TER 2370 LYS C 53 HETATM 2371 ZN ZN A 54 -20.178 -4.325 -2.879 1.00 0.00 ZN HETATM 2372 ZN ZN B 54 13.729 -15.313 -3.148 1.00 0.00 ZN HETATM 2373 ZN ZN C 54 6.580 19.866 -2.689 1.00 0.00 ZN