USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD Set 1.1: A 32 TYR OH : rot 30:sc= 0.305 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -133:sc= 0.958 (180deg=0.00852) USER MOD Single : A 8 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.3!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.02) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -48:sc= -0.25 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0698) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 120:sc= -2.43 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.7!) USER MOD Single : A 76 GLN : amide:sc= -2.37 K(o=-2.4,f=-5.8!) USER MOD Single : A 77 TYR OH : rot 135:sc= 0.692 USER MOD Single : A 82 TYR OH : rot -77:sc= 0.0439 USER MOD Single : A 84 THR OG1 : rot -42:sc= -1.67! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.34) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 1:sc= -0.224 USER MOD Single : A 100 THR OG1 : rot -79:sc= 0.789 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -5.628 3.218 12.670 1.00 1.37 N ATOM 40 CA GLU A 4 -5.350 1.811 13.078 1.00 1.14 C ATOM 41 C GLU A 4 -4.218 1.230 12.225 1.00 0.89 C ATOM 42 O GLU A 4 -3.827 1.801 11.227 1.00 1.30 O ATOM 43 CB GLU A 4 -6.657 1.059 12.823 1.00 1.67 C ATOM 44 CG GLU A 4 -6.676 -0.232 13.642 1.00 2.39 C ATOM 45 CD GLU A 4 -5.240 -0.651 13.965 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.379 0.214 13.975 1.00 3.05 O ATOM 47 OE2 GLU A 4 -5.025 -1.829 14.197 1.00 3.09 O ATOM 0 HA GLU A 4 -5.035 1.735 14.119 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -7.507 1.685 13.093 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.755 0.830 11.762 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.239 -0.083 14.563 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.180 -1.022 13.085 1.00 2.39 H new ATOM 54 N GLU A 5 -3.686 0.103 12.610 1.00 1.00 N ATOM 55 CA GLU A 5 -2.577 -0.505 11.817 1.00 0.81 C ATOM 56 C GLU A 5 -2.582 -2.025 11.955 1.00 0.87 C ATOM 57 O GLU A 5 -3.396 -2.599 12.650 1.00 1.15 O ATOM 58 CB GLU A 5 -1.281 0.073 12.396 1.00 0.95 C ATOM 59 CG GLU A 5 -1.272 -0.079 13.921 1.00 1.46 C ATOM 60 CD GLU A 5 -0.098 0.710 14.505 1.00 1.82 C ATOM 61 OE1 GLU A 5 -0.123 1.926 14.412 1.00 2.19 O ATOM 62 OE2 GLU A 5 0.805 0.084 15.036 1.00 2.50 O ATOM 0 HA GLU A 5 -2.683 -0.280 10.756 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.421 -0.441 11.966 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -1.191 1.125 12.127 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -2.211 0.283 14.339 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -1.187 -1.131 14.192 1.00 1.46 H new ATOM 69 N GLU A 6 -1.673 -2.675 11.286 1.00 0.79 N ATOM 70 CA GLU A 6 -1.607 -4.164 11.360 1.00 1.04 C ATOM 71 C GLU A 6 -0.198 -4.616 11.765 1.00 1.10 C ATOM 72 O GLU A 6 0.066 -4.890 12.918 1.00 1.76 O ATOM 73 CB GLU A 6 -1.942 -4.641 9.947 1.00 1.28 C ATOM 74 CG GLU A 6 -3.443 -4.923 9.844 1.00 1.68 C ATOM 75 CD GLU A 6 -3.724 -6.362 10.281 1.00 1.97 C ATOM 76 OE1 GLU A 6 -2.947 -7.231 9.922 1.00 2.24 O ATOM 77 OE2 GLU A 6 -4.711 -6.570 10.966 1.00 2.63 O ATOM 0 H GLU A 6 -0.970 -2.240 10.689 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.292 -4.573 12.103 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.653 -3.884 9.218 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.375 -5.542 9.712 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.998 -4.226 10.472 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.783 -4.770 8.820 1.00 1.68 H new ATOM 84 N ASP A 7 0.708 -4.698 10.826 1.00 1.27 N ATOM 85 CA ASP A 7 2.095 -5.135 11.163 1.00 1.35 C ATOM 86 C ASP A 7 3.118 -4.265 10.426 1.00 1.28 C ATOM 87 O ASP A 7 3.269 -4.352 9.223 1.00 2.01 O ATOM 88 CB ASP A 7 2.179 -6.584 10.686 1.00 1.53 C ATOM 89 CG ASP A 7 2.928 -7.421 11.726 1.00 1.92 C ATOM 90 OD1 ASP A 7 3.927 -6.942 12.235 1.00 2.36 O ATOM 91 OD2 ASP A 7 2.489 -8.527 11.994 1.00 2.57 O ATOM 0 H ASP A 7 0.548 -4.482 9.842 1.00 1.27 H new ATOM 0 HA ASP A 7 2.311 -5.043 12.228 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.178 -6.986 10.533 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.693 -6.633 9.726 1.00 1.53 H new ATOM 96 N HIS A 8 3.817 -3.422 11.139 1.00 1.21 N ATOM 97 CA HIS A 8 4.826 -2.538 10.482 1.00 1.11 C ATOM 98 C HIS A 8 4.184 -1.789 9.311 1.00 0.81 C ATOM 99 O HIS A 8 4.852 -1.362 8.391 1.00 0.87 O ATOM 100 CB HIS A 8 5.921 -3.481 9.984 1.00 1.32 C ATOM 101 CG HIS A 8 7.045 -3.511 10.982 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.785 -2.381 11.296 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.566 -4.525 11.747 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.702 -2.740 12.214 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.612 -4.035 12.524 1.00 2.33 N ATOM 0 H HIS A 8 3.733 -3.307 12.149 1.00 1.21 H new ATOM 0 HA HIS A 8 5.222 -1.785 11.163 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.517 -4.484 9.844 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.290 -3.148 9.014 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.217 -5.547 11.746 1.00 2.02 H new ATOM 0 HE1 HIS A 8 9.423 -2.062 12.647 1.00 2.53 H new ATOM 0 HE2 HIS A 8 9.186 -4.554 13.188 1.00 2.33 H new ATOM 113 N VAL A 9 2.890 -1.628 9.346 1.00 0.69 N ATOM 114 CA VAL A 9 2.185 -0.908 8.247 1.00 0.49 C ATOM 115 C VAL A 9 0.904 -0.281 8.803 1.00 0.41 C ATOM 116 O VAL A 9 0.444 -0.641 9.868 1.00 0.54 O ATOM 117 CB VAL A 9 1.872 -1.992 7.207 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.875 -1.463 6.171 1.00 0.88 C ATOM 119 CG2 VAL A 9 3.163 -2.396 6.495 1.00 0.89 C ATOM 0 H VAL A 9 2.286 -1.967 10.095 1.00 0.69 H new ATOM 0 HA VAL A 9 2.773 -0.101 7.810 1.00 0.49 H new ATOM 0 HB VAL A 9 1.437 -2.853 7.715 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.662 -2.243 5.440 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.049 -1.172 6.671 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.302 -0.597 5.665 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.945 -3.166 5.755 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.592 -1.526 5.998 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.874 -2.784 7.224 1.00 0.89 H new ATOM 129 N LEU A 10 0.327 0.656 8.103 1.00 0.41 N ATOM 130 CA LEU A 10 -0.915 1.293 8.618 1.00 0.54 C ATOM 131 C LEU A 10 -2.104 0.981 7.716 1.00 0.42 C ATOM 132 O LEU A 10 -1.977 0.359 6.681 1.00 0.59 O ATOM 133 CB LEU A 10 -0.641 2.797 8.623 1.00 0.83 C ATOM 134 CG LEU A 10 -0.068 3.244 7.274 1.00 0.96 C ATOM 135 CD1 LEU A 10 -0.757 4.535 6.828 1.00 1.30 C ATOM 136 CD2 LEU A 10 1.434 3.492 7.418 1.00 1.49 C ATOM 0 H LEU A 10 0.659 1.005 7.204 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.164 0.920 9.611 1.00 0.54 H new ATOM 0 HB2 LEU A 10 -1.563 3.340 8.831 1.00 0.83 H new ATOM 0 HB3 LEU A 10 0.060 3.042 9.421 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.240 2.466 6.530 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -0.349 4.852 5.868 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -1.828 4.360 6.727 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -0.586 5.314 7.571 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.844 3.810 6.459 1.00 1.49 H new ATOM 0 HD22 LEU A 10 1.605 4.270 8.162 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.926 2.573 7.736 1.00 1.49 H new ATOM 148 N VAL A 11 -3.260 1.422 8.111 1.00 0.54 N ATOM 149 CA VAL A 11 -4.480 1.179 7.293 1.00 0.46 C ATOM 150 C VAL A 11 -5.094 2.520 6.892 1.00 0.43 C ATOM 151 O VAL A 11 -4.943 3.508 7.583 1.00 0.54 O ATOM 152 CB VAL A 11 -5.425 0.403 8.209 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.739 0.129 7.473 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.775 -0.925 8.605 1.00 1.39 C ATOM 0 H VAL A 11 -3.416 1.945 8.973 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.272 0.628 6.376 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.627 0.990 9.105 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.413 -0.425 8.126 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.202 1.075 7.191 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.538 -0.458 6.577 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.449 -1.479 9.259 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.573 -1.513 7.709 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.840 -0.730 9.129 1.00 1.39 H new ATOM 164 N LEU A 12 -5.775 2.573 5.782 1.00 0.40 N ATOM 165 CA LEU A 12 -6.375 3.868 5.355 1.00 0.45 C ATOM 166 C LEU A 12 -7.875 3.740 5.135 1.00 0.44 C ATOM 167 O LEU A 12 -8.484 2.722 5.397 1.00 0.58 O ATOM 168 CB LEU A 12 -5.692 4.216 4.035 1.00 0.63 C ATOM 169 CG LEU A 12 -5.022 5.588 4.140 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.030 5.589 5.304 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.279 5.890 2.837 1.00 1.16 C ATOM 0 H LEU A 12 -5.941 1.784 5.157 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.232 4.633 6.118 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -4.949 3.457 3.789 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.424 4.220 3.227 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.782 6.350 4.314 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.555 6.567 5.376 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.558 5.373 6.233 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.269 4.827 5.134 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.801 6.867 2.909 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.520 5.126 2.665 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -4.986 5.892 2.007 1.00 1.16 H new ATOM 183 N ARG A 13 -8.447 4.785 4.629 1.00 0.47 N ATOM 184 CA ARG A 13 -9.910 4.808 4.338 1.00 0.55 C ATOM 185 C ARG A 13 -10.279 6.154 3.694 1.00 0.54 C ATOM 186 O ARG A 13 -9.430 6.863 3.190 1.00 0.73 O ATOM 187 CB ARG A 13 -10.617 4.616 5.692 1.00 0.69 C ATOM 188 CG ARG A 13 -10.456 5.862 6.569 1.00 1.19 C ATOM 189 CD ARG A 13 -10.955 5.560 7.984 1.00 1.28 C ATOM 190 NE ARG A 13 -12.439 5.482 7.862 1.00 1.86 N ATOM 191 CZ ARG A 13 -13.167 5.247 8.919 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.759 5.649 10.093 1.00 2.84 N ATOM 193 NH2 ARG A 13 -14.300 4.610 8.805 1.00 2.68 N ATOM 0 H ARG A 13 -7.956 5.648 4.397 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.209 4.026 3.641 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.676 4.414 5.530 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.202 3.748 6.205 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.410 6.166 6.598 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.018 6.694 6.144 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.540 4.624 8.357 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.657 6.342 8.683 1.00 1.28 H new ATOM 0 HE ARG A 13 -12.884 5.612 6.954 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.873 6.146 10.182 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -13.327 5.466 10.920 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -14.618 4.295 7.888 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -14.868 4.427 9.632 1.00 2.68 H new ATOM 207 N LYS A 14 -11.534 6.502 3.692 1.00 0.58 N ATOM 208 CA LYS A 14 -11.956 7.793 3.064 1.00 0.63 C ATOM 209 C LYS A 14 -11.326 9.005 3.764 1.00 0.65 C ATOM 210 O LYS A 14 -10.820 9.905 3.123 1.00 0.83 O ATOM 211 CB LYS A 14 -13.473 7.831 3.232 1.00 0.74 C ATOM 212 CG LYS A 14 -14.077 8.772 2.186 1.00 1.26 C ATOM 213 CD LYS A 14 -15.111 9.680 2.852 1.00 1.92 C ATOM 214 CE LYS A 14 -16.413 8.905 3.066 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.112 9.626 4.165 1.00 2.80 N ATOM 0 H LYS A 14 -12.290 5.950 4.098 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.638 7.844 2.023 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.888 6.829 3.119 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.730 8.171 4.235 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.292 9.373 1.726 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.545 8.194 1.389 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.730 10.042 3.807 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.295 10.556 2.230 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.016 8.888 2.158 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.215 7.868 3.337 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.016 9.154 4.370 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.517 9.620 5.018 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.293 10.608 3.876 1.00 2.80 H new ATOM 229 N SER A 15 -11.376 9.052 5.066 1.00 0.68 N ATOM 230 CA SER A 15 -10.806 10.224 5.793 1.00 0.88 C ATOM 231 C SER A 15 -9.303 10.060 6.021 1.00 0.81 C ATOM 232 O SER A 15 -8.682 10.872 6.679 1.00 1.05 O ATOM 233 CB SER A 15 -11.546 10.249 7.129 1.00 1.10 C ATOM 234 OG SER A 15 -12.840 10.801 6.941 1.00 1.68 O ATOM 0 H SER A 15 -11.786 8.331 5.659 1.00 0.68 H new ATOM 0 HA SER A 15 -10.929 11.148 5.227 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.624 9.240 7.533 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.988 10.840 7.855 1.00 1.10 H new ATOM 0 HG SER A 15 -13.317 10.816 7.797 1.00 1.68 H new ATOM 240 N ASN A 16 -8.706 9.028 5.491 1.00 0.65 N ATOM 241 CA ASN A 16 -7.244 8.849 5.698 1.00 0.68 C ATOM 242 C ASN A 16 -6.504 8.920 4.364 1.00 0.55 C ATOM 243 O ASN A 16 -5.403 9.425 4.276 1.00 0.56 O ATOM 244 CB ASN A 16 -7.090 7.462 6.315 1.00 0.87 C ATOM 245 CG ASN A 16 -7.386 7.527 7.812 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.358 8.586 8.405 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.671 6.426 8.449 1.00 0.98 N ATOM 0 H ASN A 16 -9.162 8.309 4.930 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.827 9.628 6.336 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.769 6.761 5.831 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.078 7.091 6.151 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.871 6.452 9.449 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.694 5.538 7.948 1.00 0.98 H new ATOM 254 N PHE A 17 -7.103 8.411 3.326 1.00 0.55 N ATOM 255 CA PHE A 17 -6.444 8.437 1.988 1.00 0.51 C ATOM 256 C PHE A 17 -5.930 9.844 1.664 1.00 0.46 C ATOM 257 O PHE A 17 -4.740 10.076 1.577 1.00 0.52 O ATOM 258 CB PHE A 17 -7.541 8.024 1.008 1.00 0.56 C ATOM 259 CG PHE A 17 -6.929 7.762 -0.344 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.507 8.833 -1.138 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.780 6.449 -0.801 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.937 8.591 -2.391 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.209 6.206 -2.054 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.787 7.276 -2.849 1.00 0.87 C ATOM 0 H PHE A 17 -8.025 7.975 3.345 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.579 7.776 1.942 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.049 7.130 1.369 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.293 8.810 0.933 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.621 9.847 -0.783 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.106 5.623 -0.186 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.612 9.418 -3.006 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.094 5.192 -2.408 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.345 7.088 -3.817 1.00 0.87 H new ATOM 274 N ALA A 18 -6.816 10.785 1.482 1.00 0.52 N ATOM 275 CA ALA A 18 -6.378 12.176 1.164 1.00 0.66 C ATOM 276 C ALA A 18 -5.347 12.656 2.190 1.00 0.59 C ATOM 277 O ALA A 18 -4.543 13.525 1.917 1.00 0.75 O ATOM 278 CB ALA A 18 -7.651 13.018 1.246 1.00 0.84 C ATOM 0 H ALA A 18 -7.826 10.651 1.540 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.904 12.247 0.185 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.414 14.059 1.024 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.378 12.649 0.523 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -8.070 12.947 2.250 1.00 0.84 H new ATOM 284 N GLU A 19 -5.360 12.089 3.364 1.00 0.46 N ATOM 285 CA GLU A 19 -4.380 12.504 4.408 1.00 0.49 C ATOM 286 C GLU A 19 -3.059 11.763 4.202 1.00 0.48 C ATOM 287 O GLU A 19 -2.026 12.361 3.981 1.00 0.56 O ATOM 288 CB GLU A 19 -5.025 12.093 5.732 1.00 0.55 C ATOM 289 CG GLU A 19 -4.176 12.603 6.900 1.00 0.69 C ATOM 290 CD GLU A 19 -4.398 11.707 8.121 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.546 10.511 7.934 1.00 1.66 O ATOM 292 OE2 GLU A 19 -4.416 12.233 9.222 1.00 1.78 O ATOM 0 H GLU A 19 -6.008 11.354 3.647 1.00 0.46 H new ATOM 0 HA GLU A 19 -4.158 13.571 4.376 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -6.034 12.500 5.798 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -5.115 11.008 5.782 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.122 12.605 6.624 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -4.445 13.632 7.137 1.00 0.69 H new ATOM 299 N ALA A 20 -3.089 10.461 4.267 1.00 0.45 N ATOM 300 CA ALA A 20 -1.838 9.675 4.068 1.00 0.53 C ATOM 301 C ALA A 20 -1.184 10.067 2.741 1.00 0.57 C ATOM 302 O ALA A 20 0.024 10.086 2.613 1.00 0.71 O ATOM 303 CB ALA A 20 -2.288 8.214 4.040 1.00 0.57 C ATOM 0 H ALA A 20 -3.926 9.907 4.449 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.102 9.854 4.852 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.421 7.569 3.896 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.773 7.965 4.984 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.991 8.065 3.220 1.00 0.57 H new ATOM 309 N LEU A 21 -1.977 10.387 1.757 1.00 0.55 N ATOM 310 CA LEU A 21 -1.410 10.790 0.439 1.00 0.69 C ATOM 311 C LEU A 21 -0.453 11.968 0.629 1.00 0.75 C ATOM 312 O LEU A 21 0.638 11.992 0.094 1.00 0.92 O ATOM 313 CB LEU A 21 -2.621 11.209 -0.397 1.00 0.74 C ATOM 314 CG LEU A 21 -2.880 10.174 -1.498 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.700 10.154 -2.470 1.00 1.44 C ATOM 316 CD2 LEU A 21 -3.051 8.784 -0.878 1.00 0.90 C ATOM 0 H LEU A 21 -2.996 10.387 1.808 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.845 9.990 -0.039 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.500 11.301 0.241 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.445 12.189 -0.841 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.791 10.444 -2.033 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -1.885 9.418 -3.252 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.583 11.140 -2.920 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.790 9.890 -1.932 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.235 8.054 -1.666 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -2.145 8.513 -0.337 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.896 8.794 -0.189 1.00 0.90 H new ATOM 328 N ALA A 22 -0.859 12.940 1.394 1.00 0.71 N ATOM 329 CA ALA A 22 0.017 14.121 1.638 1.00 0.85 C ATOM 330 C ALA A 22 0.846 13.906 2.907 1.00 0.89 C ATOM 331 O ALA A 22 1.864 14.537 3.112 1.00 1.08 O ATOM 332 CB ALA A 22 -0.945 15.294 1.822 1.00 1.00 C ATOM 0 H ALA A 22 -1.764 12.969 1.864 1.00 0.71 H new ATOM 0 HA ALA A 22 0.719 14.293 0.822 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.376 16.205 2.007 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.545 15.417 0.920 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.601 15.097 2.670 1.00 1.00 H new ATOM 338 N ALA A 23 0.416 13.018 3.764 1.00 0.86 N ATOM 339 CA ALA A 23 1.176 12.761 5.019 1.00 0.93 C ATOM 340 C ALA A 23 2.645 12.455 4.700 1.00 0.85 C ATOM 341 O ALA A 23 3.546 13.033 5.274 1.00 0.95 O ATOM 342 CB ALA A 23 0.493 11.543 5.645 1.00 1.05 C ATOM 0 H ALA A 23 -0.430 12.460 3.648 1.00 0.86 H new ATOM 0 HA ALA A 23 1.175 13.621 5.689 1.00 0.93 H new ATOM 0 HB1 ALA A 23 0.993 11.285 6.578 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.553 11.776 5.846 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.551 10.700 4.957 1.00 1.05 H new ATOM 348 N HIS A 24 2.892 11.552 3.789 1.00 0.83 N ATOM 349 CA HIS A 24 4.303 11.216 3.437 1.00 0.84 C ATOM 350 C HIS A 24 4.476 11.167 1.917 1.00 0.82 C ATOM 351 O HIS A 24 3.522 11.024 1.179 1.00 1.30 O ATOM 352 CB HIS A 24 4.546 9.835 4.046 1.00 0.95 C ATOM 353 CG HIS A 24 4.733 9.967 5.531 1.00 1.22 C ATOM 354 ND1 HIS A 24 5.979 10.165 6.106 1.00 1.80 N ATOM 355 CD2 HIS A 24 3.841 9.930 6.574 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.805 10.238 7.438 1.00 2.04 C ATOM 357 NE2 HIS A 24 4.519 10.102 7.777 1.00 2.00 N ATOM 0 H HIS A 24 2.180 11.034 3.274 1.00 0.83 H new ATOM 0 HA HIS A 24 5.007 11.959 3.812 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.703 9.178 3.832 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.428 9.378 3.597 1.00 0.95 H new ATOM 0 HD2 HIS A 24 2.775 9.789 6.476 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.606 10.388 8.147 1.00 2.04 H new ATOM 0 HE2 HIS A 24 4.120 10.120 8.716 1.00 2.00 H new ATOM 365 N LYS A 25 5.686 11.279 1.444 1.00 0.72 N ATOM 366 CA LYS A 25 5.918 11.235 -0.029 1.00 0.69 C ATOM 367 C LYS A 25 5.657 9.820 -0.557 1.00 0.59 C ATOM 368 O LYS A 25 4.692 9.576 -1.253 1.00 0.68 O ATOM 369 CB LYS A 25 7.387 11.617 -0.210 1.00 0.81 C ATOM 370 CG LYS A 25 7.627 13.005 0.387 1.00 1.20 C ATOM 371 CD LYS A 25 9.131 13.248 0.526 1.00 1.51 C ATOM 372 CE LYS A 25 9.666 13.877 -0.762 1.00 2.06 C ATOM 373 NZ LYS A 25 11.089 14.203 -0.469 1.00 2.47 N ATOM 0 H LYS A 25 6.524 11.399 2.012 1.00 0.72 H new ATOM 0 HA LYS A 25 5.256 11.906 -0.576 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.028 10.883 0.278 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.647 11.614 -1.268 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.182 13.769 -0.251 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.144 13.082 1.361 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.327 13.905 1.373 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.645 12.308 0.725 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.584 13.187 -1.602 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.103 14.771 -1.028 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.525 14.639 -1.307 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.136 14.867 0.330 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.602 13.332 -0.226 1.00 2.47 H new ATOM 387 N TYR A 26 6.506 8.887 -0.225 1.00 0.52 N ATOM 388 CA TYR A 26 6.299 7.489 -0.699 1.00 0.48 C ATOM 389 C TYR A 26 5.268 6.792 0.187 1.00 0.46 C ATOM 390 O TYR A 26 5.498 6.568 1.358 1.00 0.53 O ATOM 391 CB TYR A 26 7.661 6.811 -0.556 1.00 0.56 C ATOM 392 CG TYR A 26 8.668 7.469 -1.469 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.314 7.827 -2.776 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.962 7.719 -1.002 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.256 8.433 -3.616 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.905 8.325 -1.841 1.00 1.31 C ATOM 397 CZ TYR A 26 10.552 8.683 -3.148 1.00 1.08 C ATOM 398 OH TYR A 26 11.481 9.281 -3.976 1.00 1.33 O ATOM 0 H TYR A 26 7.334 9.032 0.353 1.00 0.52 H new ATOM 0 HA TYR A 26 5.932 7.450 -1.724 1.00 0.48 H new ATOM 0 HB2 TYR A 26 8.000 6.874 0.478 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.576 5.752 -0.799 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.314 7.636 -3.136 1.00 0.75 H new ATOM 0 HD2 TYR A 26 10.234 7.445 0.006 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.983 8.708 -4.624 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.905 8.516 -1.480 1.00 1.31 H new ATOM 0 HH TYR A 26 12.329 9.383 -3.496 1.00 1.33 H new ATOM 408 N LEU A 27 4.134 6.451 -0.355 1.00 0.46 N ATOM 409 CA LEU A 27 3.099 5.775 0.474 1.00 0.45 C ATOM 410 C LEU A 27 2.451 4.626 -0.297 1.00 0.40 C ATOM 411 O LEU A 27 1.950 4.799 -1.390 1.00 0.50 O ATOM 412 CB LEU A 27 2.068 6.858 0.778 1.00 0.51 C ATOM 413 CG LEU A 27 1.296 6.474 2.039 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.171 6.729 3.268 1.00 0.66 C ATOM 415 CD2 LEU A 27 0.021 7.313 2.130 1.00 1.93 C ATOM 0 H LEU A 27 3.879 6.610 -1.330 1.00 0.46 H new ATOM 0 HA LEU A 27 3.524 5.342 1.380 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.563 7.819 0.918 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.383 6.971 -0.062 1.00 0.51 H new ATOM 0 HG LEU A 27 1.030 5.418 1.998 1.00 0.77 H new ATOM 0 HD11 LEU A 27 1.622 6.456 4.169 1.00 0.66 H new ATOM 0 HD12 LEU A 27 3.078 6.128 3.200 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.438 7.785 3.312 1.00 0.66 H new ATOM 0 HD21 LEU A 27 -0.531 7.040 3.029 1.00 1.93 H new ATOM 0 HD22 LEU A 27 0.283 8.370 2.172 1.00 1.93 H new ATOM 0 HD23 LEU A 27 -0.600 7.128 1.253 1.00 1.93 H new ATOM 427 N LEU A 28 2.450 3.454 0.273 1.00 0.33 N ATOM 428 CA LEU A 28 1.826 2.292 -0.415 1.00 0.32 C ATOM 429 C LEU A 28 0.449 2.011 0.192 1.00 0.29 C ATOM 430 O LEU A 28 0.204 2.282 1.350 1.00 0.35 O ATOM 431 CB LEU A 28 2.779 1.123 -0.160 1.00 0.40 C ATOM 432 CG LEU A 28 3.008 0.363 -1.467 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.669 -0.147 -2.003 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.639 1.308 -2.489 1.00 0.73 C ATOM 0 H LEU A 28 2.855 3.251 1.187 1.00 0.33 H new ATOM 0 HA LEU A 28 1.677 2.465 -1.481 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.728 1.491 0.231 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.361 0.456 0.594 1.00 0.40 H new ATOM 0 HG LEU A 28 3.671 -0.484 -1.289 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.833 -0.689 -2.935 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.214 -0.814 -1.271 1.00 1.12 H new ATOM 0 HD13 LEU A 28 1.005 0.698 -2.186 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.806 0.774 -3.424 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.971 2.151 -2.667 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.591 1.675 -2.106 1.00 0.73 H new ATOM 446 N VAL A 29 -0.455 1.479 -0.583 1.00 0.32 N ATOM 447 CA VAL A 29 -1.818 1.189 -0.052 1.00 0.32 C ATOM 448 C VAL A 29 -2.417 -0.014 -0.787 1.00 0.34 C ATOM 449 O VAL A 29 -2.374 -0.097 -1.998 1.00 0.47 O ATOM 450 CB VAL A 29 -2.627 2.458 -0.331 1.00 0.40 C ATOM 451 CG1 VAL A 29 -2.539 2.804 -1.818 1.00 0.77 C ATOM 452 CG2 VAL A 29 -4.090 2.236 0.054 1.00 0.37 C ATOM 0 H VAL A 29 -0.309 1.232 -1.562 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.812 0.941 1.009 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.220 3.279 0.260 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -3.115 3.708 -2.016 1.00 0.77 H new ATOM 0 HG12 VAL A 29 -1.497 2.971 -2.092 1.00 0.77 H new ATOM 0 HG13 VAL A 29 -2.942 1.980 -2.408 1.00 0.77 H new ATOM 0 HG21 VAL A 29 -4.661 3.143 -0.147 1.00 0.37 H new ATOM 0 HG22 VAL A 29 -4.499 1.412 -0.531 1.00 0.37 H new ATOM 0 HG23 VAL A 29 -4.154 1.994 1.115 1.00 0.37 H new ATOM 462 N GLU A 30 -2.970 -0.952 -0.066 1.00 0.32 N ATOM 463 CA GLU A 30 -3.562 -2.147 -0.731 1.00 0.39 C ATOM 464 C GLU A 30 -5.059 -2.243 -0.424 1.00 0.36 C ATOM 465 O GLU A 30 -5.486 -2.048 0.696 1.00 0.42 O ATOM 466 CB GLU A 30 -2.813 -3.341 -0.137 1.00 0.52 C ATOM 467 CG GLU A 30 -3.152 -4.602 -0.933 1.00 0.64 C ATOM 468 CD GLU A 30 -2.148 -5.706 -0.592 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.175 -6.177 0.534 1.00 1.60 O ATOM 470 OE2 GLU A 30 -1.370 -6.061 -1.461 1.00 1.48 O ATOM 0 H GLU A 30 -3.037 -0.942 0.952 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.467 -2.104 -1.816 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.739 -3.159 -0.163 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.089 -3.473 0.909 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.164 -4.931 -0.699 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.125 -4.389 -2.002 1.00 0.64 H new ATOM 477 N PHE A 31 -5.857 -2.544 -1.412 1.00 0.35 N ATOM 478 CA PHE A 31 -7.324 -2.653 -1.182 1.00 0.36 C ATOM 479 C PHE A 31 -7.744 -4.125 -1.150 1.00 0.39 C ATOM 480 O PHE A 31 -7.671 -4.819 -2.146 1.00 0.49 O ATOM 481 CB PHE A 31 -7.956 -1.944 -2.378 1.00 0.41 C ATOM 482 CG PHE A 31 -7.733 -0.455 -2.264 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.442 0.070 -2.391 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.817 0.399 -2.028 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.234 1.450 -2.283 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.609 1.780 -1.919 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.320 2.305 -2.054 1.00 0.53 C ATOM 0 H PHE A 31 -5.555 -2.719 -2.370 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.632 -2.214 -0.233 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.521 -2.317 -3.305 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.024 -2.159 -2.418 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.606 -0.590 -2.572 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.813 -0.007 -1.930 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.237 1.855 -2.376 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.444 2.439 -1.731 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.161 3.371 -1.982 1.00 0.53 H new ATOM 497 N TYR A 32 -8.183 -4.610 -0.021 1.00 0.37 N ATOM 498 CA TYR A 32 -8.604 -6.039 0.053 1.00 0.44 C ATOM 499 C TYR A 32 -9.826 -6.191 0.969 1.00 0.40 C ATOM 500 O TYR A 32 -10.203 -5.277 1.676 1.00 0.45 O ATOM 501 CB TYR A 32 -7.384 -6.788 0.614 1.00 0.54 C ATOM 502 CG TYR A 32 -7.192 -6.463 2.077 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.930 -7.154 3.045 1.00 0.66 C ATOM 504 CD2 TYR A 32 -6.278 -5.477 2.465 1.00 0.58 C ATOM 505 CE1 TYR A 32 -7.756 -6.859 4.401 1.00 0.79 C ATOM 506 CE2 TYR A 32 -6.104 -5.182 3.823 1.00 0.67 C ATOM 507 CZ TYR A 32 -6.843 -5.873 4.790 1.00 0.77 C ATOM 508 OH TYR A 32 -6.671 -5.582 6.128 1.00 0.94 O ATOM 0 H TYR A 32 -8.268 -4.083 0.848 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.902 -6.435 -0.918 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.520 -7.862 0.489 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.491 -6.512 0.054 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -8.634 -7.916 2.745 1.00 0.66 H new ATOM 0 HD2 TYR A 32 -5.708 -4.944 1.718 1.00 0.58 H new ATOM 0 HE1 TYR A 32 -8.326 -7.392 5.147 1.00 0.79 H new ATOM 0 HE2 TYR A 32 -5.399 -4.421 4.124 1.00 0.67 H new ATOM 0 HH TYR A 32 -6.843 -6.385 6.662 1.00 0.94 H new ATOM 518 N ALA A 33 -10.445 -7.341 0.963 1.00 0.40 N ATOM 519 CA ALA A 33 -11.636 -7.550 1.835 1.00 0.44 C ATOM 520 C ALA A 33 -11.357 -8.670 2.844 1.00 0.53 C ATOM 521 O ALA A 33 -10.452 -9.458 2.655 1.00 0.56 O ATOM 522 CB ALA A 33 -12.758 -7.959 0.882 1.00 0.49 C ATOM 0 H ALA A 33 -10.178 -8.143 0.393 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.892 -6.658 2.407 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.672 -8.132 1.449 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.926 -7.164 0.156 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.477 -8.874 0.360 1.00 0.49 H new ATOM 528 N PRO A 34 -12.154 -8.713 3.884 1.00 0.63 N ATOM 529 CA PRO A 34 -11.983 -9.763 4.919 1.00 0.78 C ATOM 530 C PRO A 34 -12.363 -11.133 4.349 1.00 0.82 C ATOM 531 O PRO A 34 -11.984 -12.161 4.873 1.00 0.96 O ATOM 532 CB PRO A 34 -12.948 -9.341 6.023 1.00 0.90 C ATOM 533 CG PRO A 34 -13.979 -8.508 5.330 1.00 0.81 C ATOM 534 CD PRO A 34 -13.280 -7.818 4.190 1.00 0.66 C ATOM 0 HA PRO A 34 -10.957 -9.855 5.275 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.399 -10.207 6.507 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.437 -8.772 6.800 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.797 -9.129 4.964 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.414 -7.780 6.015 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.939 -7.695 3.331 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.936 -6.823 4.473 1.00 0.66 H new ATOM 542 N TRP A 35 -13.106 -11.155 3.274 1.00 0.74 N ATOM 543 CA TRP A 35 -13.500 -12.458 2.672 1.00 0.83 C ATOM 544 C TRP A 35 -12.810 -12.655 1.314 1.00 0.78 C ATOM 545 O TRP A 35 -13.118 -13.576 0.584 1.00 0.92 O ATOM 546 CB TRP A 35 -15.019 -12.372 2.501 1.00 0.91 C ATOM 547 CG TRP A 35 -15.357 -11.254 1.569 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.635 -9.985 1.946 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.458 -11.280 0.117 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.902 -9.231 0.818 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.805 -9.985 -0.336 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.285 -12.294 -0.844 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.973 -9.705 -1.692 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.453 -12.015 -2.211 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.798 -10.723 -2.633 1.00 2.26 C ATOM 0 H TRP A 35 -13.455 -10.328 2.789 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.207 -13.304 3.294 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.405 -13.314 2.110 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.495 -12.209 3.468 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.647 -9.620 2.962 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.141 -8.240 0.836 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.021 -13.293 -0.529 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -16.237 -8.708 -2.013 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.316 -12.800 -2.940 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.928 -10.515 -3.685 1.00 2.26 H new ATOM 566 N CYS A 36 -11.875 -11.803 0.969 1.00 0.65 N ATOM 567 CA CYS A 36 -11.170 -11.955 -0.340 1.00 0.67 C ATOM 568 C CYS A 36 -10.689 -13.400 -0.526 1.00 0.84 C ATOM 569 O CYS A 36 -10.986 -14.039 -1.515 1.00 1.63 O ATOM 570 CB CYS A 36 -9.981 -11.000 -0.252 1.00 0.58 C ATOM 571 SG CYS A 36 -8.997 -11.110 -1.766 1.00 1.07 S ATOM 0 H CYS A 36 -11.571 -11.012 1.536 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.817 -11.731 -1.188 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.333 -9.978 -0.109 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.365 -11.249 0.612 1.00 0.58 H new ATOM 576 N GLY A 37 -9.952 -13.919 0.419 1.00 0.96 N ATOM 577 CA GLY A 37 -9.460 -15.321 0.296 1.00 1.08 C ATOM 578 C GLY A 37 -8.026 -15.323 -0.239 1.00 1.00 C ATOM 579 O GLY A 37 -7.120 -15.830 0.392 1.00 1.83 O ATOM 0 H GLY A 37 -9.670 -13.433 1.270 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.496 -15.815 1.267 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.108 -15.886 -0.374 1.00 1.08 H new ATOM 583 N HIS A 38 -7.812 -14.766 -1.399 1.00 0.89 N ATOM 584 CA HIS A 38 -6.433 -14.743 -1.973 1.00 0.97 C ATOM 585 C HIS A 38 -5.681 -13.478 -1.544 1.00 0.88 C ATOM 586 O HIS A 38 -4.547 -13.269 -1.924 1.00 1.13 O ATOM 587 CB HIS A 38 -6.635 -14.759 -3.488 1.00 1.32 C ATOM 588 CG HIS A 38 -7.330 -16.031 -3.889 1.00 1.72 C ATOM 589 ND1 HIS A 38 -6.639 -17.210 -4.119 1.00 2.39 N ATOM 590 CD2 HIS A 38 -8.653 -16.324 -4.108 1.00 2.35 C ATOM 591 CE1 HIS A 38 -7.541 -18.149 -4.461 1.00 2.85 C ATOM 592 NE2 HIS A 38 -8.784 -17.661 -4.470 1.00 2.87 N ATOM 0 H HIS A 38 -8.530 -14.326 -1.975 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.837 -15.587 -1.628 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.226 -13.897 -3.796 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.673 -14.683 -3.995 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -9.469 -15.623 -4.014 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -7.290 -19.172 -4.699 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -9.644 -18.161 -4.694 1.00 2.87 H new ATOM 600 N CYS A 39 -6.290 -12.637 -0.752 1.00 0.79 N ATOM 601 CA CYS A 39 -5.586 -11.403 -0.306 1.00 0.88 C ATOM 602 C CYS A 39 -4.720 -11.720 0.913 1.00 0.82 C ATOM 603 O CYS A 39 -3.751 -11.042 1.196 1.00 1.00 O ATOM 604 CB CYS A 39 -6.695 -10.417 0.058 1.00 1.08 C ATOM 605 SG CYS A 39 -7.485 -9.815 -1.454 1.00 1.00 S ATOM 0 H CYS A 39 -7.239 -12.751 -0.397 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.927 -10.996 -1.073 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.432 -10.902 0.698 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.282 -9.581 0.623 1.00 1.08 H new ATOM 610 N LYS A 40 -5.060 -12.754 1.636 1.00 0.78 N ATOM 611 CA LYS A 40 -4.257 -13.123 2.832 1.00 0.94 C ATOM 612 C LYS A 40 -2.904 -13.692 2.399 1.00 0.84 C ATOM 613 O LYS A 40 -1.957 -13.710 3.159 1.00 0.94 O ATOM 614 CB LYS A 40 -5.088 -14.185 3.562 1.00 1.21 C ATOM 615 CG LYS A 40 -5.273 -15.417 2.669 1.00 1.56 C ATOM 616 CD LYS A 40 -4.055 -16.332 2.798 1.00 2.11 C ATOM 617 CE LYS A 40 -4.484 -17.693 3.352 1.00 2.72 C ATOM 618 NZ LYS A 40 -3.761 -17.823 4.648 1.00 3.29 N ATOM 0 H LYS A 40 -5.860 -13.358 1.448 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.049 -12.266 3.473 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.593 -14.470 4.490 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.060 -13.774 3.833 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.176 -15.955 2.957 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.402 -15.110 1.631 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.579 -16.459 1.825 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -3.316 -15.877 3.457 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.564 -17.739 3.495 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.218 -18.500 2.669 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -4.003 -18.732 5.091 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -2.736 -17.782 4.479 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -4.039 -17.045 5.280 1.00 3.29 H new ATOM 632 N ALA A 41 -2.805 -14.159 1.184 1.00 0.77 N ATOM 633 CA ALA A 41 -1.510 -14.725 0.709 1.00 0.86 C ATOM 634 C ALA A 41 -0.476 -13.607 0.520 1.00 0.75 C ATOM 635 O ALA A 41 0.711 -13.854 0.466 1.00 0.90 O ATOM 636 CB ALA A 41 -1.835 -15.386 -0.630 1.00 0.93 C ATOM 0 H ALA A 41 -3.563 -14.173 0.501 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.084 -15.432 1.421 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.930 -15.828 -1.047 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.583 -16.164 -0.479 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.224 -14.638 -1.320 1.00 0.93 H new ATOM 642 N LEU A 42 -0.920 -12.384 0.410 1.00 0.65 N ATOM 643 CA LEU A 42 0.041 -11.258 0.216 1.00 0.67 C ATOM 644 C LEU A 42 -0.107 -10.213 1.332 1.00 0.63 C ATOM 645 O LEU A 42 0.802 -9.456 1.606 1.00 0.70 O ATOM 646 CB LEU A 42 -0.338 -10.653 -1.135 1.00 0.82 C ATOM 647 CG LEU A 42 0.645 -9.536 -1.490 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.979 -10.148 -1.921 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.073 -8.700 -2.638 1.00 1.37 C ATOM 0 H LEU A 42 -1.903 -12.115 0.446 1.00 0.65 H new ATOM 0 HA LEU A 42 1.077 -11.596 0.245 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.324 -11.423 -1.907 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.354 -10.259 -1.097 1.00 0.82 H new ATOM 0 HG LEU A 42 0.802 -8.900 -0.619 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.680 -9.352 -2.174 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.386 -10.744 -1.105 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.823 -10.784 -2.792 1.00 1.24 H new ATOM 0 HD21 LEU A 42 0.773 -7.904 -2.892 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.084 -9.337 -3.509 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.878 -8.264 -2.332 1.00 1.37 H new ATOM 661 N ALA A 43 -1.245 -10.163 1.971 1.00 0.71 N ATOM 662 CA ALA A 43 -1.449 -9.164 3.061 1.00 0.73 C ATOM 663 C ALA A 43 -0.293 -9.208 4.072 1.00 0.67 C ATOM 664 O ALA A 43 0.305 -8.190 4.363 1.00 0.65 O ATOM 665 CB ALA A 43 -2.761 -9.576 3.728 1.00 0.88 C ATOM 0 H ALA A 43 -2.043 -10.771 1.786 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.481 -8.144 2.677 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.985 -8.890 4.544 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.567 -9.544 2.995 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -2.667 -10.588 4.121 1.00 0.88 H new ATOM 671 N PRO A 44 -0.019 -10.384 4.589 1.00 0.69 N ATOM 672 CA PRO A 44 1.070 -10.535 5.587 1.00 0.70 C ATOM 673 C PRO A 44 2.453 -10.499 4.922 1.00 0.59 C ATOM 674 O PRO A 44 3.465 -10.642 5.580 1.00 0.65 O ATOM 675 CB PRO A 44 0.802 -11.902 6.207 1.00 0.83 C ATOM 676 CG PRO A 44 0.040 -12.663 5.165 1.00 0.84 C ATOM 677 CD PRO A 44 -0.695 -11.659 4.315 1.00 0.76 C ATOM 0 HA PRO A 44 1.079 -9.727 6.319 1.00 0.70 H new ATOM 0 HB2 PRO A 44 1.733 -12.408 6.462 1.00 0.83 H new ATOM 0 HB3 PRO A 44 0.226 -11.811 7.128 1.00 0.83 H new ATOM 0 HG2 PRO A 44 0.718 -13.259 4.554 1.00 0.84 H new ATOM 0 HG3 PRO A 44 -0.660 -13.355 5.632 1.00 0.84 H new ATOM 0 HD2 PRO A 44 -0.641 -11.918 3.258 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -1.752 -11.613 4.578 1.00 0.76 H new ATOM 685 N GLU A 45 2.516 -10.291 3.636 1.00 0.53 N ATOM 686 CA GLU A 45 3.835 -10.226 2.957 1.00 0.46 C ATOM 687 C GLU A 45 4.114 -8.771 2.616 1.00 0.41 C ATOM 688 O GLU A 45 5.232 -8.302 2.657 1.00 0.47 O ATOM 689 CB GLU A 45 3.667 -11.060 1.689 1.00 0.48 C ATOM 690 CG GLU A 45 3.517 -12.534 2.066 1.00 0.61 C ATOM 691 CD GLU A 45 4.875 -13.232 1.959 1.00 1.12 C ATOM 692 OE1 GLU A 45 5.878 -12.539 1.987 1.00 1.83 O ATOM 693 OE2 GLU A 45 4.887 -14.446 1.852 1.00 1.90 O ATOM 0 H GLU A 45 1.708 -10.163 3.027 1.00 0.53 H new ATOM 0 HA GLU A 45 4.661 -10.598 3.563 1.00 0.46 H new ATOM 0 HB2 GLU A 45 2.791 -10.725 1.133 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.529 -10.926 1.036 1.00 0.48 H new ATOM 0 HG2 GLU A 45 3.130 -12.623 3.081 1.00 0.61 H new ATOM 0 HG3 GLU A 45 2.796 -13.017 1.407 1.00 0.61 H new ATOM 700 N TYR A 46 3.080 -8.052 2.306 1.00 0.43 N ATOM 701 CA TYR A 46 3.228 -6.616 1.983 1.00 0.48 C ATOM 702 C TYR A 46 3.327 -5.809 3.292 1.00 0.52 C ATOM 703 O TYR A 46 3.678 -4.647 3.285 1.00 0.69 O ATOM 704 CB TYR A 46 1.953 -6.296 1.186 1.00 0.64 C ATOM 705 CG TYR A 46 1.632 -4.822 1.234 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.845 -4.320 2.274 1.00 1.03 C ATOM 707 CD2 TYR A 46 2.116 -3.967 0.242 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.538 -2.956 2.320 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.813 -2.604 0.288 1.00 1.38 C ATOM 710 CZ TYR A 46 1.025 -2.098 1.327 1.00 1.50 C ATOM 711 OH TYR A 46 0.722 -0.753 1.366 1.00 1.95 O ATOM 0 H TYR A 46 2.124 -8.405 2.262 1.00 0.43 H new ATOM 0 HA TYR A 46 4.124 -6.369 1.414 1.00 0.48 H new ATOM 0 HB2 TYR A 46 2.081 -6.609 0.150 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.116 -6.866 1.590 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.474 -4.984 3.041 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.724 -4.359 -0.560 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.074 -2.566 3.120 1.00 1.39 H new ATOM 0 HE2 TYR A 46 2.187 -1.941 -0.478 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.240 -0.639 1.513 1.00 1.95 H new ATOM 721 N ALA A 47 3.018 -6.415 4.413 1.00 0.53 N ATOM 722 CA ALA A 47 3.097 -5.673 5.704 1.00 0.62 C ATOM 723 C ALA A 47 4.459 -5.889 6.371 1.00 0.58 C ATOM 724 O ALA A 47 4.930 -5.055 7.118 1.00 0.68 O ATOM 725 CB ALA A 47 1.981 -6.260 6.566 1.00 0.73 C ATOM 0 H ALA A 47 2.716 -7.387 4.487 1.00 0.53 H new ATOM 0 HA ALA A 47 2.986 -4.598 5.563 1.00 0.62 H new ATOM 0 HB1 ALA A 47 1.973 -5.765 7.537 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.021 -6.107 6.072 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.152 -7.328 6.705 1.00 0.73 H new ATOM 731 N LYS A 48 5.094 -7.001 6.117 1.00 0.51 N ATOM 732 CA LYS A 48 6.417 -7.257 6.753 1.00 0.55 C ATOM 733 C LYS A 48 7.539 -6.558 5.973 1.00 0.53 C ATOM 734 O LYS A 48 8.574 -6.231 6.518 1.00 0.65 O ATOM 735 CB LYS A 48 6.583 -8.779 6.711 1.00 0.60 C ATOM 736 CG LYS A 48 6.759 -9.251 5.265 1.00 1.03 C ATOM 737 CD LYS A 48 6.814 -10.778 5.230 1.00 1.41 C ATOM 738 CE LYS A 48 8.275 -11.236 5.232 1.00 1.92 C ATOM 739 NZ LYS A 48 8.317 -12.378 6.187 1.00 2.47 N ATOM 0 H LYS A 48 4.756 -7.739 5.500 1.00 0.51 H new ATOM 0 HA LYS A 48 6.468 -6.870 7.771 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.447 -9.075 7.306 1.00 0.60 H new ATOM 0 HB3 LYS A 48 5.711 -9.260 7.155 1.00 0.60 H new ATOM 0 HG2 LYS A 48 5.933 -8.892 4.651 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.674 -8.834 4.844 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.291 -11.191 6.092 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.306 -11.151 4.340 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.594 -11.542 4.236 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.941 -10.432 5.547 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.287 -12.748 6.244 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 8.014 -12.055 7.128 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.679 -13.130 5.857 1.00 2.47 H new ATOM 753 N ALA A 49 7.343 -6.331 4.703 1.00 0.47 N ATOM 754 CA ALA A 49 8.402 -5.659 3.894 1.00 0.50 C ATOM 755 C ALA A 49 8.732 -4.288 4.483 1.00 0.53 C ATOM 756 O ALA A 49 9.877 -3.963 4.728 1.00 0.65 O ATOM 757 CB ALA A 49 7.803 -5.511 2.495 1.00 0.55 C ATOM 0 H ALA A 49 6.497 -6.581 4.190 1.00 0.47 H new ATOM 0 HA ALA A 49 9.331 -6.229 3.881 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.525 -5.023 1.840 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.560 -6.496 2.097 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.897 -4.908 2.549 1.00 0.55 H new ATOM 763 N ALA A 50 7.737 -3.481 4.709 1.00 0.54 N ATOM 764 CA ALA A 50 7.985 -2.127 5.279 1.00 0.65 C ATOM 765 C ALA A 50 8.694 -2.239 6.632 1.00 0.65 C ATOM 766 O ALA A 50 9.317 -1.306 7.097 1.00 0.77 O ATOM 767 CB ALA A 50 6.596 -1.510 5.452 1.00 0.76 C ATOM 0 H ALA A 50 6.758 -3.700 4.523 1.00 0.54 H new ATOM 0 HA ALA A 50 8.625 -1.522 4.637 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.693 -0.508 5.869 1.00 0.76 H new ATOM 0 HB2 ALA A 50 6.100 -1.454 4.483 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.005 -2.128 6.127 1.00 0.76 H new ATOM 773 N GLY A 51 8.604 -3.375 7.269 1.00 0.59 N ATOM 774 CA GLY A 51 9.272 -3.541 8.590 1.00 0.69 C ATOM 775 C GLY A 51 10.745 -3.898 8.381 1.00 0.78 C ATOM 776 O GLY A 51 11.585 -3.615 9.211 1.00 0.90 O ATOM 0 H GLY A 51 8.097 -4.194 6.932 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.189 -2.621 9.168 1.00 0.69 H new ATOM 0 HA3 GLY A 51 8.776 -4.324 9.164 1.00 0.69 H new ATOM 780 N LYS A 52 11.066 -4.518 7.278 1.00 0.80 N ATOM 781 CA LYS A 52 12.487 -4.891 7.021 1.00 1.01 C ATOM 782 C LYS A 52 13.387 -3.657 7.132 1.00 1.12 C ATOM 783 O LYS A 52 14.416 -3.685 7.778 1.00 1.31 O ATOM 784 CB LYS A 52 12.500 -5.440 5.595 1.00 1.15 C ATOM 785 CG LYS A 52 11.717 -6.754 5.549 1.00 1.49 C ATOM 786 CD LYS A 52 12.327 -7.673 4.490 1.00 1.97 C ATOM 787 CE LYS A 52 12.389 -9.104 5.029 1.00 2.64 C ATOM 788 NZ LYS A 52 11.988 -9.963 3.881 1.00 3.08 N ATOM 0 H LYS A 52 10.408 -4.782 6.545 1.00 0.80 H new ATOM 0 HA LYS A 52 12.860 -5.620 7.741 1.00 1.01 H new ATOM 0 HB2 LYS A 52 12.057 -4.716 4.911 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.526 -5.604 5.266 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.742 -7.239 6.525 1.00 1.49 H new ATOM 0 HG3 LYS A 52 10.670 -6.558 5.317 1.00 1.49 H new ATOM 0 HD2 LYS A 52 11.730 -7.642 3.579 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.327 -7.329 4.227 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.392 -9.352 5.377 1.00 2.64 H new ATOM 0 HE3 LYS A 52 11.716 -9.237 5.876 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.006 -10.961 4.172 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 11.027 -9.708 3.576 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 12.651 -9.820 3.092 1.00 3.08 H new ATOM 802 N LEU A 53 13.007 -2.572 6.511 1.00 1.12 N ATOM 803 CA LEU A 53 13.847 -1.342 6.592 1.00 1.33 C ATOM 804 C LEU A 53 13.705 -0.696 7.967 1.00 1.30 C ATOM 805 O LEU A 53 14.601 -0.023 8.432 1.00 1.50 O ATOM 806 CB LEU A 53 13.323 -0.409 5.490 1.00 1.55 C ATOM 807 CG LEU A 53 11.815 -0.193 5.649 1.00 1.47 C ATOM 808 CD1 LEU A 53 11.521 1.305 5.747 1.00 1.82 C ATOM 809 CD2 LEU A 53 11.088 -0.775 4.436 1.00 2.07 C ATOM 0 H LEU A 53 12.157 -2.484 5.955 1.00 1.12 H new ATOM 0 HA LEU A 53 14.906 -1.561 6.455 1.00 1.33 H new ATOM 0 HB2 LEU A 53 13.841 0.549 5.538 1.00 1.55 H new ATOM 0 HB3 LEU A 53 13.535 -0.837 4.510 1.00 1.55 H new ATOM 0 HG LEU A 53 11.470 -0.691 6.555 1.00 1.47 H new ATOM 0 HD11 LEU A 53 10.448 1.459 5.860 1.00 1.82 H new ATOM 0 HD12 LEU A 53 12.040 1.722 6.610 1.00 1.82 H new ATOM 0 HD13 LEU A 53 11.865 1.803 4.841 1.00 1.82 H new ATOM 0 HD21 LEU A 53 10.015 -0.622 4.547 1.00 2.07 H new ATOM 0 HD22 LEU A 53 11.434 -0.276 3.531 1.00 2.07 H new ATOM 0 HD23 LEU A 53 11.297 -1.842 4.364 1.00 2.07 H new ATOM 821 N LYS A 54 12.592 -0.895 8.630 1.00 1.20 N ATOM 822 CA LYS A 54 12.400 -0.284 9.982 1.00 1.35 C ATOM 823 C LYS A 54 12.793 1.197 9.943 1.00 1.40 C ATOM 824 O LYS A 54 13.387 1.721 10.865 1.00 1.67 O ATOM 825 CB LYS A 54 13.329 -1.064 10.910 1.00 1.46 C ATOM 826 CG LYS A 54 13.055 -0.664 12.361 1.00 1.91 C ATOM 827 CD LYS A 54 13.388 -1.836 13.288 1.00 2.50 C ATOM 828 CE LYS A 54 12.177 -2.151 14.170 1.00 2.87 C ATOM 829 NZ LYS A 54 12.137 -1.052 15.176 1.00 3.88 N ATOM 0 H LYS A 54 11.808 -1.454 8.293 1.00 1.20 H new ATOM 0 HA LYS A 54 11.364 -0.333 10.317 1.00 1.35 H new ATOM 0 HB2 LYS A 54 13.173 -2.135 10.781 1.00 1.46 H new ATOM 0 HB3 LYS A 54 14.369 -0.860 10.656 1.00 1.46 H new ATOM 0 HG2 LYS A 54 13.655 0.206 12.628 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.010 -0.379 12.479 1.00 1.91 H new ATOM 0 HD2 LYS A 54 13.660 -2.712 12.700 1.00 2.50 H new ATOM 0 HD3 LYS A 54 14.249 -1.589 13.909 1.00 2.50 H new ATOM 0 HE2 LYS A 54 11.259 -2.183 13.583 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.281 -3.123 14.651 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 11.820 -1.431 16.091 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 13.087 -0.643 15.281 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 11.476 -0.315 14.859 1.00 3.88 H new ATOM 843 N ALA A 55 12.477 1.866 8.863 1.00 1.63 N ATOM 844 CA ALA A 55 12.841 3.312 8.726 1.00 2.20 C ATOM 845 C ALA A 55 14.365 3.467 8.721 1.00 2.03 C ATOM 846 O ALA A 55 14.894 4.510 9.047 1.00 2.38 O ATOM 847 CB ALA A 55 12.234 4.015 9.940 1.00 2.78 C ATOM 0 H ALA A 55 11.980 1.471 8.065 1.00 1.63 H new ATOM 0 HA ALA A 55 12.467 3.739 7.795 1.00 2.20 H new ATOM 0 HB1 ALA A 55 12.466 5.079 9.898 1.00 2.78 H new ATOM 0 HB2 ALA A 55 11.153 3.879 9.936 1.00 2.78 H new ATOM 0 HB3 ALA A 55 12.650 3.589 10.853 1.00 2.78 H new ATOM 853 N GLU A 56 15.071 2.434 8.347 1.00 1.67 N ATOM 854 CA GLU A 56 16.561 2.518 8.314 1.00 1.70 C ATOM 855 C GLU A 56 17.039 2.373 6.873 1.00 1.53 C ATOM 856 O GLU A 56 17.965 3.028 6.440 1.00 1.98 O ATOM 857 CB GLU A 56 17.058 1.345 9.163 1.00 1.99 C ATOM 858 CG GLU A 56 16.357 1.361 10.522 1.00 2.69 C ATOM 859 CD GLU A 56 17.173 0.551 11.529 1.00 3.21 C ATOM 860 OE1 GLU A 56 17.534 -0.569 11.206 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.426 1.064 12.606 1.00 3.63 O ATOM 0 H GLU A 56 14.681 1.535 8.063 1.00 1.67 H new ATOM 0 HA GLU A 56 16.934 3.469 8.695 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.860 0.403 8.651 1.00 1.99 H new ATOM 0 HB3 GLU A 56 18.137 1.413 9.299 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.244 2.387 10.872 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.355 0.943 10.430 1.00 2.69 H new ATOM 868 N GLY A 57 16.390 1.529 6.126 1.00 1.58 N ATOM 869 CA GLY A 57 16.777 1.344 4.701 1.00 2.25 C ATOM 870 C GLY A 57 16.107 2.439 3.874 1.00 1.97 C ATOM 871 O GLY A 57 16.581 2.822 2.823 1.00 2.50 O ATOM 0 H GLY A 57 15.606 0.957 6.440 1.00 1.58 H new ATOM 0 HA2 GLY A 57 17.860 1.396 4.592 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.468 0.360 4.349 1.00 2.25 H new ATOM 875 N SER A 58 15.002 2.950 4.349 1.00 1.30 N ATOM 876 CA SER A 58 14.294 4.025 3.607 1.00 1.23 C ATOM 877 C SER A 58 13.243 4.671 4.510 1.00 1.03 C ATOM 878 O SER A 58 13.017 4.241 5.623 1.00 1.27 O ATOM 879 CB SER A 58 13.628 3.318 2.426 1.00 1.53 C ATOM 880 OG SER A 58 13.812 4.087 1.247 1.00 2.13 O ATOM 0 H SER A 58 14.560 2.665 5.223 1.00 1.30 H new ATOM 0 HA SER A 58 14.965 4.818 3.277 1.00 1.23 H new ATOM 0 HB2 SER A 58 14.056 2.324 2.295 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.564 3.183 2.622 1.00 1.53 H new ATOM 0 HG SER A 58 13.386 3.632 0.490 1.00 2.13 H new ATOM 886 N GLU A 59 12.592 5.689 4.033 1.00 0.85 N ATOM 887 CA GLU A 59 11.542 6.357 4.853 1.00 0.87 C ATOM 888 C GLU A 59 10.158 6.097 4.243 1.00 0.76 C ATOM 889 O GLU A 59 9.153 6.568 4.735 1.00 1.06 O ATOM 890 CB GLU A 59 11.885 7.848 4.805 1.00 1.10 C ATOM 891 CG GLU A 59 11.785 8.355 3.366 1.00 1.05 C ATOM 892 CD GLU A 59 10.679 9.408 3.270 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.962 10.561 3.553 1.00 2.22 O ATOM 894 OE2 GLU A 59 9.569 9.044 2.916 1.00 2.13 O ATOM 0 H GLU A 59 12.740 6.091 3.107 1.00 0.85 H new ATOM 0 HA GLU A 59 11.514 5.984 5.877 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.204 8.408 5.446 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.892 8.012 5.189 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.737 8.783 3.053 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.572 7.526 2.691 1.00 1.05 H new ATOM 901 N ILE A 60 10.105 5.349 3.172 1.00 0.59 N ATOM 902 CA ILE A 60 8.800 5.053 2.522 1.00 0.57 C ATOM 903 C ILE A 60 7.823 4.446 3.531 1.00 0.52 C ATOM 904 O ILE A 60 8.190 4.097 4.635 1.00 0.63 O ATOM 905 CB ILE A 60 9.145 4.041 1.433 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.742 2.788 2.085 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.162 4.658 0.469 1.00 1.34 C ATOM 908 CD1 ILE A 60 10.188 1.799 1.005 1.00 1.60 C ATOM 0 H ILE A 60 10.917 4.929 2.719 1.00 0.59 H new ATOM 0 HA ILE A 60 8.318 5.946 2.125 1.00 0.57 H new ATOM 0 HB ILE A 60 8.246 3.770 0.880 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.591 3.063 2.711 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.004 2.320 2.736 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.410 3.936 -0.310 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.736 5.552 0.013 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.066 4.926 1.016 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.611 0.912 1.476 1.00 1.60 H new ATOM 0 HD12 ILE A 60 9.330 1.513 0.397 1.00 1.60 H new ATOM 0 HD13 ILE A 60 10.941 2.267 0.372 1.00 1.60 H new ATOM 920 N ARG A 61 6.579 4.319 3.159 1.00 0.45 N ATOM 921 CA ARG A 61 5.580 3.734 4.099 1.00 0.45 C ATOM 922 C ARG A 61 4.552 2.885 3.343 1.00 0.41 C ATOM 923 O ARG A 61 4.197 3.172 2.217 1.00 0.55 O ATOM 924 CB ARG A 61 4.901 4.940 4.747 1.00 0.51 C ATOM 925 CG ARG A 61 5.326 5.038 6.211 1.00 0.75 C ATOM 926 CD ARG A 61 5.963 6.405 6.468 1.00 0.97 C ATOM 927 NE ARG A 61 7.145 6.120 7.327 1.00 1.30 N ATOM 928 CZ ARG A 61 7.319 6.783 8.438 1.00 1.66 C ATOM 929 NH1 ARG A 61 6.528 6.572 9.453 1.00 2.19 N ATOM 930 NH2 ARG A 61 8.284 7.656 8.532 1.00 2.21 N ATOM 0 H ARG A 61 6.211 4.594 2.248 1.00 0.45 H new ATOM 0 HA ARG A 61 6.047 3.076 4.832 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.173 5.852 4.216 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.818 4.842 4.678 1.00 0.51 H new ATOM 0 HG2 ARG A 61 4.462 4.900 6.861 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.034 4.245 6.449 1.00 0.75 H new ATOM 0 HD2 ARG A 61 6.259 6.885 5.535 1.00 0.97 H new ATOM 0 HD3 ARG A 61 5.266 7.079 6.966 1.00 0.97 H new ATOM 0 HE ARG A 61 7.819 5.407 7.048 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.774 5.889 9.379 1.00 2.19 H new ATOM 0 HH12 ARG A 61 6.663 7.090 10.321 1.00 2.19 H new ATOM 0 HH21 ARG A 61 8.902 7.820 7.738 1.00 2.21 H new ATOM 0 HH22 ARG A 61 8.420 8.174 9.400 1.00 2.21 H new ATOM 944 N LEU A 62 4.066 1.844 3.965 1.00 0.35 N ATOM 945 CA LEU A 62 3.054 0.975 3.297 1.00 0.36 C ATOM 946 C LEU A 62 1.706 1.108 4.009 1.00 0.32 C ATOM 947 O LEU A 62 1.638 1.495 5.161 1.00 0.38 O ATOM 948 CB LEU A 62 3.599 -0.448 3.431 1.00 0.48 C ATOM 949 CG LEU A 62 4.578 -0.730 2.289 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.928 -0.080 2.601 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.764 -2.241 2.137 1.00 1.22 C ATOM 0 H LEU A 62 4.327 1.558 4.909 1.00 0.35 H new ATOM 0 HA LEU A 62 2.894 1.247 2.254 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.100 -0.568 4.392 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.779 -1.166 3.407 1.00 0.48 H new ATOM 0 HG LEU A 62 4.181 -0.317 1.362 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.625 -0.281 1.788 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.797 0.997 2.709 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.325 -0.492 3.529 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.461 -2.442 1.324 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.160 -2.654 3.065 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.803 -2.705 1.914 1.00 1.22 H new ATOM 963 N ALA A 63 0.629 0.792 3.341 1.00 0.30 N ATOM 964 CA ALA A 63 -0.702 0.915 4.005 1.00 0.32 C ATOM 965 C ALA A 63 -1.669 -0.157 3.496 1.00 0.31 C ATOM 966 O ALA A 63 -1.384 -0.874 2.559 1.00 0.37 O ATOM 967 CB ALA A 63 -1.205 2.308 3.627 1.00 0.37 C ATOM 0 H ALA A 63 0.611 0.458 2.377 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.629 0.780 5.084 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.183 2.477 4.078 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.503 3.059 3.990 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.288 2.383 2.543 1.00 0.37 H new ATOM 973 N LYS A 64 -2.816 -0.266 4.113 1.00 0.30 N ATOM 974 CA LYS A 64 -3.809 -1.287 3.672 1.00 0.32 C ATOM 975 C LYS A 64 -5.230 -0.739 3.839 1.00 0.32 C ATOM 976 O LYS A 64 -5.479 0.121 4.660 1.00 0.40 O ATOM 977 CB LYS A 64 -3.582 -2.481 4.599 1.00 0.38 C ATOM 978 CG LYS A 64 -2.792 -3.562 3.858 1.00 1.39 C ATOM 979 CD LYS A 64 -2.101 -4.473 4.874 1.00 1.60 C ATOM 980 CE LYS A 64 -2.782 -5.844 4.877 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.712 -5.805 6.042 1.00 2.26 N ATOM 0 H LYS A 64 -3.107 0.309 4.904 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.692 -1.558 2.623 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.039 -2.165 5.489 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.539 -2.881 4.935 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.460 -4.146 3.225 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.052 -3.102 3.203 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -1.046 -4.580 4.624 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -2.149 -4.029 5.868 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.321 -6.020 3.946 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.053 -6.648 4.980 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.607 -6.677 6.599 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.487 -4.983 6.639 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.692 -5.728 5.702 1.00 2.26 H new ATOM 995 N VAL A 65 -6.164 -1.226 3.068 1.00 0.30 N ATOM 996 CA VAL A 65 -7.563 -0.723 3.193 1.00 0.32 C ATOM 997 C VAL A 65 -8.549 -1.891 3.233 1.00 0.31 C ATOM 998 O VAL A 65 -8.236 -2.999 2.844 1.00 0.36 O ATOM 999 CB VAL A 65 -7.801 0.122 1.941 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.255 0.608 1.920 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.860 1.327 1.954 1.00 0.70 C ATOM 0 H VAL A 65 -6.021 -1.947 2.360 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.706 -0.150 4.109 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.608 -0.481 1.054 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.424 1.210 1.027 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.926 -0.251 1.911 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.450 1.211 2.807 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.029 1.930 1.062 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.053 1.930 2.841 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.826 0.981 1.968 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.745 -1.642 3.688 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.761 -2.727 3.741 1.00 0.39 C ATOM 1013 C ASP A 66 -11.886 -2.436 2.749 1.00 0.40 C ATOM 1014 O ASP A 66 -12.792 -1.678 3.033 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.289 -2.711 5.175 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.648 -3.851 5.969 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.540 -4.233 5.630 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.277 -4.324 6.902 1.00 1.30 O ATOM 0 H ASP A 66 -10.062 -0.733 4.025 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.344 -3.699 3.476 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.063 -1.754 5.646 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.374 -2.819 5.175 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.833 -3.031 1.585 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.901 -2.794 0.565 1.00 0.46 C ATOM 1025 C ALA A 67 -14.287 -2.919 1.207 1.00 0.51 C ATOM 1026 O ALA A 67 -15.248 -2.326 0.757 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.692 -3.887 -0.483 1.00 0.51 C ATOM 0 H ALA A 67 -11.095 -3.672 1.295 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.845 -1.796 0.131 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.439 -3.784 -1.270 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.695 -3.792 -0.914 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.793 -4.865 -0.013 1.00 0.51 H new ATOM 1033 N THR A 68 -14.391 -3.678 2.264 1.00 0.53 N ATOM 1034 CA THR A 68 -15.704 -3.832 2.946 1.00 0.62 C ATOM 1035 C THR A 68 -15.784 -2.875 4.137 1.00 0.64 C ATOM 1036 O THR A 68 -16.462 -3.135 5.112 1.00 0.86 O ATOM 1037 CB THR A 68 -15.738 -5.285 3.421 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.674 -5.507 4.336 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.584 -6.215 2.218 1.00 1.35 C ATOM 0 H THR A 68 -13.621 -4.198 2.684 1.00 0.53 H new ATOM 0 HA THR A 68 -16.544 -3.602 2.291 1.00 0.62 H new ATOM 0 HB THR A 68 -16.688 -5.487 3.915 1.00 0.66 H new ATOM 0 HG1 THR A 68 -15.040 -5.787 5.201 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.608 -7.252 2.554 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.401 -6.042 1.517 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.633 -6.016 1.723 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.103 -1.764 4.060 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.143 -0.783 5.178 1.00 0.61 C ATOM 1049 C GLU A 69 -15.140 0.615 4.583 1.00 0.57 C ATOM 1050 O GLU A 69 -16.000 1.429 4.860 1.00 0.66 O ATOM 1051 CB GLU A 69 -13.870 -1.035 5.986 1.00 0.63 C ATOM 1052 CG GLU A 69 -13.910 -0.205 7.271 1.00 0.83 C ATOM 1053 CD GLU A 69 -12.572 0.514 7.455 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.376 1.531 6.812 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -11.767 0.034 8.236 1.00 2.10 O ATOM 0 H GLU A 69 -14.520 -1.494 3.268 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.027 -0.881 5.808 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.783 -2.094 6.227 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -12.993 -0.769 5.396 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.722 0.521 7.223 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -14.109 -0.850 8.127 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.191 0.885 3.736 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.136 2.213 3.080 1.00 0.57 C ATOM 1064 C GLU A 70 -15.196 2.238 1.963 1.00 0.72 C ATOM 1065 O GLU A 70 -16.212 2.895 2.069 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.686 2.298 2.551 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.610 3.101 1.249 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.159 3.503 0.969 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.690 4.433 1.604 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.545 2.877 0.121 1.00 1.89 O ATOM 0 H GLU A 70 -13.448 0.239 3.470 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.355 3.064 3.725 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.049 2.763 3.304 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.299 1.293 2.383 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.998 2.507 0.422 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.235 3.991 1.323 1.00 1.05 H new ATOM 1077 N SER A 71 -14.962 1.510 0.906 1.00 0.55 N ATOM 1078 CA SER A 71 -15.943 1.456 -0.221 1.00 0.66 C ATOM 1079 C SER A 71 -16.286 2.856 -0.738 1.00 0.70 C ATOM 1080 O SER A 71 -17.273 3.049 -1.421 1.00 0.94 O ATOM 1081 CB SER A 71 -17.183 0.797 0.374 1.00 0.79 C ATOM 1082 OG SER A 71 -17.650 -0.213 -0.510 1.00 1.48 O ATOM 0 H SER A 71 -14.125 0.943 0.771 1.00 0.55 H new ATOM 0 HA SER A 71 -15.540 0.908 -1.073 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.947 0.364 1.346 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.962 1.542 0.537 1.00 0.79 H new ATOM 0 HG SER A 71 -18.446 -0.639 -0.129 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.478 3.826 -0.438 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.754 5.202 -0.929 1.00 0.71 C ATOM 1090 C ASP A 72 -14.656 5.610 -1.910 1.00 0.68 C ATOM 1091 O ASP A 72 -14.888 6.327 -2.864 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.728 6.087 0.316 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.154 6.288 0.833 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.723 5.331 1.333 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.652 7.396 0.722 1.00 1.83 O ATOM 0 H ASP A 72 -14.635 3.728 0.128 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.708 5.284 -1.450 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.112 5.627 1.089 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.277 7.051 0.080 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.461 5.142 -1.681 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.335 5.476 -2.594 1.00 0.68 C ATOM 1102 C LEU A 73 -11.985 4.263 -3.461 1.00 0.60 C ATOM 1103 O LEU A 73 -11.309 4.383 -4.463 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.170 5.835 -1.671 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.308 7.287 -1.211 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -12.491 7.408 -0.249 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.028 7.722 -0.497 1.00 0.97 C ATOM 0 H LEU A 73 -13.216 4.539 -0.896 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.579 6.292 -3.274 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.158 5.169 -0.808 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.223 5.697 -2.193 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.476 7.926 -2.078 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.589 8.443 0.079 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -13.405 7.100 -0.756 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -12.323 6.768 0.617 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.128 8.757 -0.170 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.859 7.082 0.369 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.183 7.637 -1.181 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.445 3.092 -3.094 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.137 1.887 -3.913 1.00 0.56 C ATOM 1121 C ALA A 74 -12.994 1.897 -5.179 1.00 0.59 C ATOM 1122 O ALA A 74 -12.487 1.912 -6.284 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.499 0.696 -3.025 1.00 0.60 C ATOM 0 H ALA A 74 -13.017 2.922 -2.267 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.094 1.849 -4.227 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.299 -0.232 -3.561 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.900 0.725 -2.115 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.556 0.744 -2.765 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.290 1.903 -5.027 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.174 1.929 -6.224 1.00 0.76 C ATOM 1131 C GLN A 75 -14.887 3.188 -7.042 1.00 0.78 C ATOM 1132 O GLN A 75 -15.104 3.231 -8.237 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.598 1.960 -5.669 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.027 0.546 -5.273 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.459 0.295 -5.750 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.866 0.799 -6.778 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.246 -0.468 -5.042 1.00 2.40 N ATOM 0 H GLN A 75 -14.773 1.891 -4.129 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.019 1.072 -6.880 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.647 2.621 -4.804 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.282 2.362 -6.417 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.352 -0.187 -5.714 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.966 0.426 -4.191 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.905 -0.891 -4.179 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.202 -0.641 -5.352 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.393 4.213 -6.403 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.083 5.472 -7.136 1.00 0.84 C ATOM 1148 C GLN A 76 -12.889 5.256 -8.065 1.00 0.83 C ATOM 1149 O GLN A 76 -12.831 5.788 -9.156 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.737 6.487 -6.047 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.185 7.880 -6.488 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.051 8.557 -7.260 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.422 7.944 -8.099 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.761 9.804 -7.010 1.00 1.97 N ATOM 0 H GLN A 76 -14.191 4.232 -5.403 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.914 5.807 -7.756 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -14.227 6.215 -5.112 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.664 6.482 -5.858 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.074 7.807 -7.115 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.456 8.479 -5.619 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.289 10.319 -6.306 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.006 10.264 -7.519 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.937 4.476 -7.639 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.743 4.220 -8.495 1.00 0.81 C ATOM 1165 C TYR A 77 -11.056 3.132 -9.523 1.00 0.83 C ATOM 1166 O TYR A 77 -10.746 3.257 -10.691 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.658 3.747 -7.528 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.755 4.904 -7.172 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.259 5.982 -6.433 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -7.415 4.902 -7.580 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.425 7.057 -6.103 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -6.581 5.977 -7.249 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.075 7.046 -6.511 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.264 8.114 -6.186 1.00 1.22 O ATOM 0 H TYR A 77 -11.932 4.004 -6.735 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.435 5.105 -9.052 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.114 3.338 -6.626 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.076 2.945 -7.983 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.292 5.984 -6.118 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.025 4.071 -8.150 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.814 7.891 -5.538 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -5.549 5.975 -7.569 1.00 1.56 H new ATOM 0 HH TYR A 77 -5.401 7.782 -5.860 1.00 1.22 H new ATOM 1184 N GLY A 78 -11.667 2.065 -9.094 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.999 0.963 -10.040 1.00 0.87 C ATOM 1186 C GLY A 78 -11.464 -0.351 -9.475 1.00 0.88 C ATOM 1187 O GLY A 78 -10.816 -1.118 -10.159 1.00 1.52 O ATOM 0 H GLY A 78 -11.952 1.907 -8.127 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.078 0.901 -10.183 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -11.559 1.160 -11.018 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.724 -0.608 -8.225 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.225 -1.863 -7.601 1.00 0.79 C ATOM 1193 C VAL A 79 -12.212 -3.009 -7.833 1.00 1.13 C ATOM 1194 O VAL A 79 -13.144 -3.202 -7.078 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.117 -1.540 -6.111 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.570 -2.756 -5.365 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.172 -0.354 -5.916 1.00 0.72 C ATOM 0 H VAL A 79 -12.262 -0.001 -7.607 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.273 -2.183 -8.024 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.103 -1.288 -5.720 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.493 -2.526 -4.302 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.243 -3.602 -5.505 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.584 -3.008 -5.754 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.094 -0.122 -4.854 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.186 -0.606 -6.306 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.562 0.513 -6.449 1.00 0.72 H new ATOM 1207 N ARG A 80 -12.010 -3.776 -8.868 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.931 -4.915 -9.145 1.00 1.72 C ATOM 1209 C ARG A 80 -12.238 -6.245 -8.823 1.00 1.38 C ATOM 1210 O ARG A 80 -12.875 -7.272 -8.699 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.244 -4.819 -10.639 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.602 -4.141 -10.832 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.178 -4.528 -12.196 1.00 3.49 C ATOM 1214 NE ARG A 80 -15.691 -5.915 -12.016 1.00 4.06 N ATOM 1215 CZ ARG A 80 -16.784 -6.290 -12.622 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -17.019 -5.901 -13.846 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -17.643 -7.054 -12.005 1.00 5.09 N ATOM 0 H ARG A 80 -11.246 -3.664 -9.535 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.835 -4.873 -8.538 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.466 -4.251 -11.149 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.256 -5.814 -11.084 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.286 -4.441 -10.038 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.492 -3.059 -10.766 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.975 -3.848 -12.496 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.415 -4.487 -12.973 1.00 3.49 H new ATOM 0 HE ARG A 80 -15.188 -6.571 -11.419 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -16.348 -5.304 -14.329 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -17.874 -6.194 -14.319 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -17.460 -7.358 -11.049 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -18.497 -7.347 -12.479 1.00 5.09 H new ATOM 1231 N GLY A 81 -10.938 -6.234 -8.683 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.211 -7.495 -8.367 1.00 0.81 C ATOM 1233 C GLY A 81 -9.347 -7.283 -7.122 1.00 0.74 C ATOM 1234 O GLY A 81 -8.732 -6.249 -6.952 1.00 1.17 O ATOM 0 H GLY A 81 -10.350 -5.405 -8.774 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -10.921 -8.305 -8.197 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -9.587 -7.790 -9.211 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.297 -8.252 -6.250 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.474 -8.102 -5.015 1.00 0.52 C ATOM 1240 C TYR A 82 -7.356 -9.160 -4.989 1.00 0.54 C ATOM 1241 O TYR A 82 -7.519 -10.226 -5.548 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.448 -8.331 -3.856 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.622 -7.388 -3.981 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.656 -7.675 -4.880 1.00 0.97 C ATOM 1245 CD2 TYR A 82 -10.676 -6.229 -3.198 1.00 0.64 C ATOM 1246 CE1 TYR A 82 -12.745 -6.802 -4.996 1.00 1.04 C ATOM 1247 CE2 TYR A 82 -11.765 -5.356 -3.313 1.00 0.68 C ATOM 1248 CZ TYR A 82 -12.799 -5.642 -4.212 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.872 -4.781 -4.327 1.00 0.85 O ATOM 0 H TYR A 82 -9.790 -9.141 -6.338 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.993 -7.125 -4.959 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.797 -9.364 -3.861 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.940 -8.170 -2.905 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -11.614 -8.569 -5.484 1.00 0.97 H new ATOM 0 HD2 TYR A 82 -9.878 -6.008 -2.505 1.00 0.64 H new ATOM 0 HE1 TYR A 82 -13.543 -7.023 -5.690 1.00 1.04 H new ATOM 0 HE2 TYR A 82 -11.807 -4.462 -2.708 1.00 0.68 H new ATOM 0 HH TYR A 82 -13.777 -4.247 -5.143 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.246 -8.845 -4.344 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.054 -7.539 -3.664 1.00 0.51 C ATOM 1261 C PRO A 83 -5.515 -6.498 -4.652 1.00 0.51 C ATOM 1262 O PRO A 83 -4.591 -6.757 -5.397 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.016 -7.851 -2.594 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.254 -9.042 -3.101 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.066 -9.700 -4.194 1.00 0.64 C ATOM 0 HA PRO A 83 -6.976 -7.125 -3.256 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.352 -7.001 -2.433 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.492 -8.069 -1.638 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.281 -8.734 -3.485 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.069 -9.747 -2.290 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.501 -9.763 -5.124 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.346 -10.718 -3.922 1.00 0.64 H new ATOM 1273 N THR A 84 -6.081 -5.322 -4.662 1.00 0.45 N ATOM 1274 CA THR A 84 -5.592 -4.268 -5.601 1.00 0.45 C ATOM 1275 C THR A 84 -4.496 -3.437 -4.926 1.00 0.43 C ATOM 1276 O THR A 84 -4.723 -2.792 -3.923 1.00 0.52 O ATOM 1277 CB THR A 84 -6.815 -3.400 -5.909 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.993 -4.194 -5.844 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.680 -2.804 -7.312 1.00 0.56 C ATOM 0 H THR A 84 -6.859 -5.044 -4.063 1.00 0.45 H new ATOM 0 HA THR A 84 -5.162 -4.691 -6.509 1.00 0.45 H new ATOM 0 HB THR A 84 -6.879 -2.595 -5.176 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.828 -5.060 -6.272 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.551 -2.186 -7.530 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.779 -2.192 -7.362 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.613 -3.609 -8.044 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.306 -3.454 -5.464 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.197 -2.671 -4.846 1.00 0.41 C ATOM 1289 C ILE A 85 -1.955 -1.376 -5.626 1.00 0.41 C ATOM 1290 O ILE A 85 -2.083 -1.332 -6.833 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.973 -3.583 -4.933 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.285 -4.928 -4.271 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.207 -2.925 -4.216 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.300 -6.028 -5.334 1.00 1.27 C ATOM 0 H ILE A 85 -3.054 -3.976 -6.304 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.422 -2.382 -3.819 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.718 -3.745 -5.980 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.538 -5.153 -3.510 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.250 -4.882 -3.766 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.079 -3.576 -4.278 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.433 -1.969 -4.689 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.049 -2.761 -3.169 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.522 -6.986 -4.863 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.064 -5.804 -6.079 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.325 -6.079 -5.818 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.600 -0.321 -4.942 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.345 0.972 -5.639 1.00 0.40 C ATOM 1308 C LYS A 86 -0.298 1.785 -4.869 1.00 0.38 C ATOM 1309 O LYS A 86 -0.268 1.781 -3.655 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.692 1.695 -5.642 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.121 1.965 -7.085 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.635 0.669 -7.716 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.773 0.991 -8.686 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.546 0.091 -9.852 1.00 1.73 N ATOM 0 H LYS A 86 -1.476 -0.299 -3.930 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.960 0.830 -6.649 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.443 1.089 -5.135 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.615 2.633 -5.092 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.900 2.727 -7.107 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.280 2.353 -7.659 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -2.826 0.163 -8.243 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.986 -0.012 -6.940 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.746 0.809 -8.229 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -4.753 2.039 -8.985 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -5.287 0.251 -10.564 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -3.615 0.292 -10.270 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -4.577 -0.900 -9.537 1.00 1.73 H new ATOM 1328 N PHE A 87 0.561 2.476 -5.565 1.00 0.37 N ATOM 1329 CA PHE A 87 1.607 3.282 -4.870 1.00 0.36 C ATOM 1330 C PHE A 87 1.443 4.770 -5.202 1.00 0.33 C ATOM 1331 O PHE A 87 1.289 5.148 -6.346 1.00 0.37 O ATOM 1332 CB PHE A 87 2.936 2.745 -5.416 1.00 0.42 C ATOM 1333 CG PHE A 87 4.086 3.599 -4.923 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.101 4.068 -3.603 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.136 3.921 -5.791 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.165 4.858 -3.153 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.201 4.711 -5.340 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.215 5.180 -4.021 1.00 0.72 C ATOM 0 H PHE A 87 0.585 2.518 -6.584 1.00 0.37 H new ATOM 0 HA PHE A 87 1.546 3.198 -3.785 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.078 1.712 -5.098 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.916 2.743 -6.506 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.291 3.820 -2.933 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.125 3.560 -6.809 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.176 5.219 -2.135 1.00 0.46 H new ATOM 0 HE2 PHE A 87 7.011 4.958 -6.010 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.036 5.790 -3.673 1.00 0.72 H new ATOM 1348 N PHE A 88 1.474 5.618 -4.207 1.00 0.33 N ATOM 1349 CA PHE A 88 1.319 7.075 -4.466 1.00 0.35 C ATOM 1350 C PHE A 88 2.615 7.816 -4.122 1.00 0.42 C ATOM 1351 O PHE A 88 3.482 7.292 -3.450 1.00 0.61 O ATOM 1352 CB PHE A 88 0.186 7.510 -3.541 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.131 7.073 -4.134 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.638 5.800 -3.852 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -1.849 7.945 -4.962 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.862 5.397 -4.396 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.074 7.541 -5.507 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.569 6.260 -5.245 1.00 0.62 C ATOM 0 H PHE A 88 1.600 5.362 -3.228 1.00 0.33 H new ATOM 0 HA PHE A 88 1.103 7.294 -5.512 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.318 7.070 -2.552 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.200 8.592 -3.413 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.084 5.128 -3.214 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -1.458 8.928 -5.180 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -3.262 4.422 -4.162 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -3.637 8.220 -6.130 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.495 5.936 -5.696 1.00 0.62 H new ATOM 1368 N ARG A 89 2.757 9.032 -4.580 1.00 0.47 N ATOM 1369 CA ARG A 89 4.000 9.801 -4.280 1.00 0.55 C ATOM 1370 C ARG A 89 3.658 11.231 -3.847 1.00 0.64 C ATOM 1371 O ARG A 89 3.402 12.093 -4.664 1.00 1.05 O ATOM 1372 CB ARG A 89 4.784 9.814 -5.594 1.00 0.73 C ATOM 1373 CG ARG A 89 6.272 10.016 -5.298 1.00 1.15 C ATOM 1374 CD ARG A 89 6.957 10.638 -6.519 1.00 1.42 C ATOM 1375 NE ARG A 89 7.811 11.727 -5.968 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.787 12.915 -6.512 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.521 13.167 -7.561 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.028 13.850 -6.008 1.00 2.43 N ATOM 0 H ARG A 89 2.068 9.525 -5.148 1.00 0.47 H new ATOM 0 HA ARG A 89 4.570 9.354 -3.465 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.633 8.877 -6.129 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.419 10.613 -6.240 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.396 10.663 -4.429 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.738 9.061 -5.054 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.555 9.900 -7.055 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.225 11.029 -7.226 1.00 1.42 H new ATOM 0 HE ARG A 89 8.415 11.545 -5.166 1.00 1.73 H new ATOM 0 HH11 ARG A 89 9.113 12.437 -7.956 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.502 14.094 -7.986 1.00 2.56 H new ATOM 0 HH21 ARG A 89 6.453 13.654 -5.189 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.010 14.777 -6.433 1.00 2.43 H new ATOM 1392 N ASN A 90 3.658 11.488 -2.567 1.00 0.57 N ATOM 1393 CA ASN A 90 3.339 12.862 -2.077 1.00 0.68 C ATOM 1394 C ASN A 90 2.037 13.370 -2.705 1.00 0.69 C ATOM 1395 O ASN A 90 2.032 14.314 -3.469 1.00 0.98 O ATOM 1396 CB ASN A 90 4.521 13.723 -2.524 1.00 0.87 C ATOM 1397 CG ASN A 90 4.303 15.166 -2.065 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.561 16.096 -2.802 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.833 15.392 -0.868 1.00 1.74 N ATOM 0 H ASN A 90 3.865 10.806 -1.838 1.00 0.57 H new ATOM 0 HA ASN A 90 3.196 12.889 -0.997 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.448 13.333 -2.104 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.622 13.686 -3.609 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.682 16.350 -0.552 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.616 14.611 -0.249 1.00 1.74 H new ATOM 1406 N GLY A 91 0.932 12.755 -2.385 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.368 13.206 -2.958 1.00 0.75 C ATOM 1408 C GLY A 91 -0.276 13.250 -4.485 1.00 0.79 C ATOM 1409 O GLY A 91 -0.090 14.295 -5.075 1.00 1.19 O ATOM 0 H GLY A 91 0.873 11.958 -1.751 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.165 12.528 -2.652 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.623 14.193 -2.572 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.415 12.124 -5.125 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.345 12.099 -6.616 1.00 1.27 C ATOM 1415 C ASP A 92 -1.748 12.256 -7.206 1.00 1.14 C ATOM 1416 O ASP A 92 -2.051 13.238 -7.855 1.00 1.70 O ATOM 1417 CB ASP A 92 0.233 10.727 -6.964 1.00 1.93 C ATOM 1418 CG ASP A 92 1.641 10.899 -7.536 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.853 11.862 -8.255 1.00 2.41 O ATOM 1420 OD2 ASP A 92 2.484 10.065 -7.247 1.00 2.68 O ATOM 0 H ASP A 92 -0.574 11.219 -4.683 1.00 0.90 H new ATOM 0 HA ASP A 92 0.265 12.909 -7.017 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.264 10.097 -6.075 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.407 10.224 -7.689 1.00 1.93 H new ATOM 1425 N THR A 93 -2.610 11.300 -6.971 1.00 0.96 N ATOM 1426 CA THR A 93 -4.005 11.380 -7.504 1.00 1.33 C ATOM 1427 C THR A 93 -4.001 11.462 -9.035 1.00 1.26 C ATOM 1428 O THR A 93 -3.121 12.040 -9.640 1.00 1.90 O ATOM 1429 CB THR A 93 -4.623 12.650 -6.898 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.843 13.106 -5.798 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.035 12.333 -6.414 1.00 1.92 C ATOM 0 H THR A 93 -2.406 10.461 -6.429 1.00 0.96 H new ATOM 0 HA THR A 93 -4.578 10.492 -7.238 1.00 1.33 H new ATOM 0 HB THR A 93 -4.650 13.430 -7.659 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.248 13.916 -5.424 1.00 2.10 H new ATOM 0 HG21 THR A 93 -6.481 13.229 -5.982 1.00 1.92 H new ATOM 0 HG22 THR A 93 -6.641 11.995 -7.255 1.00 1.92 H new ATOM 0 HG23 THR A 93 -5.993 11.548 -5.659 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.988 10.883 -9.664 1.00 1.18 N ATOM 1440 CA ALA A 94 -5.059 10.920 -11.156 1.00 1.18 C ATOM 1441 C ALA A 94 -3.772 10.365 -11.776 1.00 1.14 C ATOM 1442 O ALA A 94 -3.476 10.610 -12.928 1.00 1.48 O ATOM 1443 CB ALA A 94 -5.227 12.399 -11.509 1.00 1.24 C ATOM 0 H ALA A 94 -5.752 10.384 -9.208 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.877 10.310 -11.538 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -5.287 12.510 -12.592 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -6.141 12.780 -11.054 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -4.373 12.962 -11.133 1.00 1.24 H new ATOM 1449 N SER A 95 -3.002 9.618 -11.029 1.00 1.20 N ATOM 1450 CA SER A 95 -1.738 9.055 -11.591 1.00 1.22 C ATOM 1451 C SER A 95 -1.041 8.161 -10.555 1.00 0.98 C ATOM 1452 O SER A 95 0.101 8.396 -10.214 1.00 0.98 O ATOM 1453 CB SER A 95 -0.867 10.271 -11.916 1.00 1.48 C ATOM 1454 OG SER A 95 -0.305 10.119 -13.211 1.00 2.01 O ATOM 0 H SER A 95 -3.192 9.374 -10.057 1.00 1.20 H new ATOM 0 HA SER A 95 -1.923 8.437 -12.470 1.00 1.22 H new ATOM 0 HB2 SER A 95 -1.464 11.182 -11.872 1.00 1.48 H new ATOM 0 HB3 SER A 95 -0.075 10.373 -11.174 1.00 1.48 H new ATOM 0 HG SER A 95 0.251 10.898 -13.420 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.748 7.161 -10.085 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.167 6.238 -9.080 1.00 0.72 C ATOM 1462 C PRO A 96 -0.182 5.272 -9.746 1.00 0.65 C ATOM 1463 O PRO A 96 -0.197 5.085 -10.946 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.379 5.483 -8.542 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.398 5.546 -9.639 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.131 6.799 -10.434 1.00 1.02 C ATOM 0 HA PRO A 96 -0.609 6.755 -8.299 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.125 4.451 -8.299 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.755 5.942 -7.628 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.329 4.665 -10.277 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.406 5.562 -9.225 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.238 6.622 -11.504 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.829 7.594 -10.171 1.00 1.02 H new ATOM 1474 N LYS A 97 0.671 4.653 -8.975 1.00 0.55 N ATOM 1475 CA LYS A 97 1.652 3.696 -9.565 1.00 0.57 C ATOM 1476 C LYS A 97 1.280 2.261 -9.178 1.00 0.53 C ATOM 1477 O LYS A 97 1.627 1.785 -8.115 1.00 0.89 O ATOM 1478 CB LYS A 97 3.001 4.083 -8.958 1.00 0.68 C ATOM 1479 CG LYS A 97 3.727 5.045 -9.901 1.00 0.85 C ATOM 1480 CD LYS A 97 5.041 5.493 -9.259 1.00 1.63 C ATOM 1481 CE LYS A 97 5.453 6.851 -9.830 1.00 2.05 C ATOM 1482 NZ LYS A 97 6.284 6.531 -11.023 1.00 2.61 N ATOM 0 H LYS A 97 0.731 4.768 -7.963 1.00 0.55 H new ATOM 0 HA LYS A 97 1.671 3.740 -10.654 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.853 4.552 -7.985 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.607 3.192 -8.793 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.924 4.556 -10.855 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.098 5.910 -10.110 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.924 5.562 -8.177 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.821 4.755 -9.449 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.581 7.445 -10.104 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.017 7.431 -9.100 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.605 7.414 -11.470 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.110 5.971 -10.731 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 5.719 5.984 -11.703 1.00 2.61 H new ATOM 1496 N GLU A 98 0.572 1.571 -10.030 1.00 0.51 N ATOM 1497 CA GLU A 98 0.173 0.170 -9.708 1.00 0.48 C ATOM 1498 C GLU A 98 1.407 -0.676 -9.379 1.00 0.45 C ATOM 1499 O GLU A 98 2.504 -0.392 -9.816 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.507 -0.349 -10.976 1.00 0.61 C ATOM 1501 CG GLU A 98 0.480 -0.298 -12.143 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.165 -0.918 -13.383 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.555 -2.071 -13.311 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.259 -0.228 -14.385 1.00 2.61 O ATOM 0 H GLU A 98 0.252 1.916 -10.935 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.484 0.120 -8.840 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.853 -1.371 -10.823 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.386 0.254 -11.203 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.766 0.734 -12.346 1.00 1.33 H new ATOM 0 HG3 GLU A 98 1.392 -0.837 -11.886 1.00 1.33 H new ATOM 1511 N TYR A 99 1.230 -1.719 -8.612 1.00 0.45 N ATOM 1512 CA TYR A 99 2.387 -2.590 -8.254 1.00 0.46 C ATOM 1513 C TYR A 99 2.481 -3.763 -9.235 1.00 0.53 C ATOM 1514 O TYR A 99 1.505 -4.429 -9.513 1.00 0.67 O ATOM 1515 CB TYR A 99 2.078 -3.096 -6.844 1.00 0.52 C ATOM 1516 CG TYR A 99 3.297 -2.928 -5.967 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.452 -3.677 -6.224 1.00 1.20 C ATOM 1518 CD2 TYR A 99 3.272 -2.025 -4.899 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.582 -3.522 -5.411 1.00 1.49 C ATOM 1520 CE2 TYR A 99 4.402 -1.869 -4.086 1.00 2.05 C ATOM 1521 CZ TYR A 99 5.557 -2.617 -4.341 1.00 1.70 C ATOM 1522 OH TYR A 99 6.672 -2.460 -3.539 1.00 2.27 O ATOM 0 H TYR A 99 0.334 -2.005 -8.218 1.00 0.45 H new ATOM 0 HA TYR A 99 3.338 -2.058 -8.297 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.237 -2.544 -6.425 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.785 -4.145 -6.879 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.471 -4.374 -7.049 1.00 1.20 H new ATOM 0 HD2 TYR A 99 2.381 -1.448 -4.701 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.473 -4.100 -5.609 1.00 1.49 H new ATOM 0 HE2 TYR A 99 4.382 -1.171 -3.262 1.00 2.05 H new ATOM 0 HH TYR A 99 7.393 -3.039 -3.864 1.00 2.27 H new ATOM 1532 N THR A 100 3.647 -4.021 -9.763 1.00 0.60 N ATOM 1533 CA THR A 100 3.794 -5.152 -10.725 1.00 0.72 C ATOM 1534 C THR A 100 3.962 -6.472 -9.970 1.00 0.83 C ATOM 1535 O THR A 100 3.287 -7.445 -10.242 1.00 1.71 O ATOM 1536 CB THR A 100 5.054 -4.830 -11.531 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.163 -4.725 -10.649 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.864 -3.508 -12.274 1.00 1.13 C ATOM 0 H THR A 100 4.502 -3.499 -9.571 1.00 0.60 H new ATOM 0 HA THR A 100 2.919 -5.263 -11.366 1.00 0.72 H new ATOM 0 HB THR A 100 5.237 -5.626 -12.253 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.148 -3.850 -10.207 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.763 -3.281 -12.847 1.00 1.13 H new ATOM 0 HG22 THR A 100 4.013 -3.590 -12.950 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.681 -2.710 -11.555 1.00 1.13 H new ATOM 1546 N ALA A 101 4.857 -6.514 -9.021 1.00 0.83 N ATOM 1547 CA ALA A 101 5.066 -7.773 -8.249 1.00 1.01 C ATOM 1548 C ALA A 101 3.783 -8.152 -7.505 1.00 1.36 C ATOM 1549 O ALA A 101 2.720 -7.627 -7.775 1.00 1.98 O ATOM 1550 CB ALA A 101 6.185 -7.452 -7.256 1.00 0.87 C ATOM 0 H ALA A 101 5.452 -5.732 -8.747 1.00 0.83 H new ATOM 0 HA ALA A 101 5.324 -8.614 -8.893 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.397 -8.333 -6.649 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.083 -7.162 -7.801 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.873 -6.632 -6.609 1.00 0.87 H new ATOM 1556 N GLY A 102 3.870 -9.055 -6.568 1.00 1.17 N ATOM 1557 CA GLY A 102 2.653 -9.460 -5.811 1.00 1.71 C ATOM 1558 C GLY A 102 2.768 -10.926 -5.394 1.00 1.08 C ATOM 1559 O GLY A 102 2.007 -11.767 -5.828 1.00 1.27 O ATOM 0 H GLY A 102 4.730 -9.529 -6.294 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.535 -8.830 -4.930 1.00 1.71 H new ATOM 0 HA3 GLY A 102 1.765 -9.316 -6.427 1.00 1.71 H new ATOM 1563 N ARG A 103 3.715 -11.238 -4.552 1.00 0.90 N ATOM 1564 CA ARG A 103 3.879 -12.650 -4.105 1.00 1.11 C ATOM 1565 C ARG A 103 4.333 -12.687 -2.645 1.00 0.94 C ATOM 1566 O ARG A 103 3.706 -13.297 -1.801 1.00 1.04 O ATOM 1567 CB ARG A 103 4.958 -13.228 -5.019 1.00 1.71 C ATOM 1568 CG ARG A 103 4.309 -14.150 -6.055 1.00 2.44 C ATOM 1569 CD ARG A 103 5.390 -14.733 -6.968 1.00 3.16 C ATOM 1570 NE ARG A 103 5.695 -13.650 -7.945 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.082 -13.952 -9.155 1.00 4.34 C ATOM 1572 NH1 ARG A 103 7.167 -14.655 -9.336 1.00 4.84 N ATOM 1573 NH2 ARG A 103 5.384 -13.553 -10.182 1.00 4.81 N ATOM 0 H ARG A 103 4.382 -10.576 -4.155 1.00 0.90 H new ATOM 0 HA ARG A 103 2.950 -13.217 -4.164 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.496 -12.423 -5.519 1.00 1.71 H new ATOM 0 HB3 ARG A 103 5.689 -13.782 -4.431 1.00 1.71 H new ATOM 0 HG2 ARG A 103 3.769 -14.953 -5.554 1.00 2.44 H new ATOM 0 HG3 ARG A 103 3.580 -13.595 -6.645 1.00 2.44 H new ATOM 0 HD2 ARG A 103 6.277 -15.014 -6.400 1.00 3.16 H new ATOM 0 HD3 ARG A 103 5.037 -15.632 -7.473 1.00 3.16 H new ATOM 0 HE ARG A 103 5.601 -12.673 -7.669 1.00 3.73 H new ATOM 0 HH11 ARG A 103 7.712 -14.968 -8.533 1.00 4.84 H new ATOM 0 HH12 ARG A 103 7.470 -14.891 -10.281 1.00 4.84 H new ATOM 0 HH21 ARG A 103 4.536 -13.005 -10.040 1.00 4.81 H new ATOM 0 HH22 ARG A 103 5.687 -13.789 -11.127 1.00 4.81 H new ATOM 1587 N GLU A 104 5.418 -12.034 -2.346 1.00 0.75 N ATOM 1588 CA GLU A 104 5.924 -12.018 -0.944 1.00 0.66 C ATOM 1589 C GLU A 104 6.565 -10.661 -0.639 1.00 0.56 C ATOM 1590 O GLU A 104 6.905 -9.917 -1.537 1.00 0.57 O ATOM 1591 CB GLU A 104 6.972 -13.130 -0.889 1.00 0.79 C ATOM 1592 CG GLU A 104 6.275 -14.491 -0.885 1.00 1.59 C ATOM 1593 CD GLU A 104 7.130 -15.500 -0.116 1.00 1.87 C ATOM 1594 OE1 GLU A 104 7.614 -15.147 0.947 1.00 2.51 O ATOM 1595 OE2 GLU A 104 7.288 -16.607 -0.604 1.00 2.04 O ATOM 0 H GLU A 104 5.981 -11.507 -3.014 1.00 0.75 H new ATOM 0 HA GLU A 104 5.131 -12.172 -0.212 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.642 -13.055 -1.746 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.586 -13.022 0.005 1.00 0.79 H new ATOM 0 HG2 GLU A 104 5.291 -14.406 -0.424 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.119 -14.835 -1.908 1.00 1.59 H new ATOM 1602 N ALA A 105 6.728 -10.332 0.619 1.00 0.50 N ATOM 1603 CA ALA A 105 7.347 -9.018 0.984 1.00 0.44 C ATOM 1604 C ALA A 105 8.593 -8.738 0.132 1.00 0.45 C ATOM 1605 O ALA A 105 8.886 -7.608 -0.201 1.00 0.47 O ATOM 1606 CB ALA A 105 7.739 -9.165 2.454 1.00 0.47 C ATOM 0 H ALA A 105 6.459 -10.917 1.410 1.00 0.50 H new ATOM 0 HA ALA A 105 6.661 -8.189 0.813 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.202 -8.241 2.801 1.00 0.47 H new ATOM 0 HB2 ALA A 105 6.849 -9.371 3.049 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.446 -9.988 2.562 1.00 0.47 H new ATOM 1612 N ASP A 106 9.325 -9.759 -0.222 1.00 0.51 N ATOM 1613 CA ASP A 106 10.544 -9.545 -1.052 1.00 0.56 C ATOM 1614 C ASP A 106 10.169 -8.870 -2.372 1.00 0.54 C ATOM 1615 O ASP A 106 10.879 -8.021 -2.873 1.00 0.64 O ATOM 1616 CB ASP A 106 11.108 -10.945 -1.299 1.00 0.67 C ATOM 1617 CG ASP A 106 11.855 -11.420 -0.052 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.294 -10.575 0.709 1.00 2.02 O ATOM 1619 OD2 ASP A 106 11.974 -12.623 0.120 1.00 1.82 O ATOM 0 H ASP A 106 9.132 -10.729 0.027 1.00 0.51 H new ATOM 0 HA ASP A 106 11.272 -8.898 -0.562 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.301 -11.637 -1.538 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.781 -10.932 -2.156 1.00 0.67 H new ATOM 1624 N ASP A 107 9.051 -9.236 -2.934 1.00 0.50 N ATOM 1625 CA ASP A 107 8.622 -8.608 -4.216 1.00 0.52 C ATOM 1626 C ASP A 107 8.234 -7.146 -3.975 1.00 0.51 C ATOM 1627 O ASP A 107 8.246 -6.332 -4.877 1.00 0.63 O ATOM 1628 CB ASP A 107 7.407 -9.420 -4.668 1.00 0.55 C ATOM 1629 CG ASP A 107 7.739 -10.155 -5.969 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.550 -9.645 -6.725 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.177 -11.216 -6.187 1.00 1.39 O ATOM 0 H ASP A 107 8.416 -9.942 -2.562 1.00 0.50 H new ATOM 0 HA ASP A 107 9.412 -8.610 -4.967 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.127 -10.136 -3.895 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.552 -8.761 -4.818 1.00 0.55 H new ATOM 1636 N ILE A 108 7.888 -6.812 -2.761 1.00 0.46 N ATOM 1637 CA ILE A 108 7.498 -5.409 -2.448 1.00 0.52 C ATOM 1638 C ILE A 108 8.744 -4.529 -2.310 1.00 0.50 C ATOM 1639 O ILE A 108 8.812 -3.442 -2.848 1.00 0.52 O ATOM 1640 CB ILE A 108 6.763 -5.500 -1.112 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.582 -6.467 -1.245 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.251 -4.116 -0.709 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.622 -5.964 -2.325 1.00 0.68 C ATOM 0 H ILE A 108 7.859 -7.455 -1.969 1.00 0.46 H new ATOM 0 HA ILE A 108 6.882 -4.966 -3.231 1.00 0.52 H new ATOM 0 HB ILE A 108 7.448 -5.865 -0.347 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.943 -7.463 -1.501 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.060 -6.552 -0.292 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.727 -4.185 0.244 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.093 -3.431 -0.612 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.567 -3.745 -1.472 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.783 -6.654 -2.417 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.251 -4.977 -2.051 1.00 0.68 H new ATOM 0 HD13 ILE A 108 5.147 -5.902 -3.278 1.00 0.68 H new ATOM 1655 N VAL A 109 9.728 -4.991 -1.587 1.00 0.51 N ATOM 1656 CA VAL A 109 10.966 -4.180 -1.410 1.00 0.56 C ATOM 1657 C VAL A 109 11.673 -3.988 -2.755 1.00 0.51 C ATOM 1658 O VAL A 109 12.221 -2.939 -3.033 1.00 0.55 O ATOM 1659 CB VAL A 109 11.838 -4.996 -0.456 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.154 -4.257 -0.208 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.101 -5.184 0.873 1.00 0.86 C ATOM 0 H VAL A 109 9.728 -5.894 -1.112 1.00 0.51 H new ATOM 0 HA VAL A 109 10.755 -3.184 -1.020 1.00 0.56 H new ATOM 0 HB VAL A 109 12.047 -5.970 -0.898 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.776 -4.839 0.472 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.679 -4.122 -1.154 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.946 -3.283 0.234 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.722 -5.766 1.554 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.893 -4.209 1.315 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.163 -5.711 0.698 1.00 0.86 H new ATOM 1671 N ASN A 110 11.666 -4.989 -3.591 1.00 0.50 N ATOM 1672 CA ASN A 110 12.339 -4.857 -4.914 1.00 0.52 C ATOM 1673 C ASN A 110 11.782 -3.652 -5.673 1.00 0.50 C ATOM 1674 O ASN A 110 12.518 -2.829 -6.179 1.00 0.59 O ATOM 1675 CB ASN A 110 12.018 -6.155 -5.656 1.00 0.59 C ATOM 1676 CG ASN A 110 12.907 -7.281 -5.123 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.706 -7.069 -4.232 1.00 1.65 O ATOM 1678 ND2 ASN A 110 12.801 -8.477 -5.633 1.00 1.29 N ATOM 0 H ASN A 110 11.224 -5.891 -3.416 1.00 0.50 H new ATOM 0 HA ASN A 110 13.413 -4.701 -4.816 1.00 0.52 H new ATOM 0 HB2 ASN A 110 10.967 -6.413 -5.522 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.180 -6.024 -6.726 1.00 0.59 H new ATOM 0 HD21 ASN A 110 13.389 -9.234 -5.284 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.130 -8.655 -6.381 1.00 1.29 H new ATOM 1685 N TRP A 111 10.488 -3.544 -5.751 1.00 0.46 N ATOM 1686 CA TRP A 111 9.881 -2.391 -6.473 1.00 0.51 C ATOM 1687 C TRP A 111 10.136 -1.097 -5.698 1.00 0.55 C ATOM 1688 O TRP A 111 10.211 -0.025 -6.266 1.00 0.66 O ATOM 1689 CB TRP A 111 8.386 -2.698 -6.532 1.00 0.55 C ATOM 1690 CG TRP A 111 7.853 -2.305 -7.871 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.842 -3.099 -8.965 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.261 -1.038 -8.278 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.279 -2.400 -10.018 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.905 -1.126 -9.644 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.001 0.167 -7.599 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 6.311 -0.056 -10.314 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.403 1.245 -8.272 1.00 1.07 C ATOM 1698 CH2 TRP A 111 6.059 1.134 -9.626 1.00 1.14 C ATOM 0 H TRP A 111 9.823 -4.203 -5.347 1.00 0.46 H new ATOM 0 HA TRP A 111 10.304 -2.256 -7.469 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.214 -3.760 -6.357 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.861 -2.156 -5.746 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.212 -4.113 -9.010 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.156 -2.780 -10.956 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.263 0.263 -6.556 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 6.048 -0.147 -11.357 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.207 2.166 -7.743 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.600 1.967 -10.137 1.00 1.14 H new ATOM 1709 N LEU A 112 10.274 -1.189 -4.405 1.00 0.55 N ATOM 1710 CA LEU A 112 10.531 0.034 -3.593 1.00 0.65 C ATOM 1711 C LEU A 112 12.016 0.397 -3.654 1.00 0.65 C ATOM 1712 O LEU A 112 12.382 1.555 -3.670 1.00 0.75 O ATOM 1713 CB LEU A 112 10.126 -0.344 -2.167 1.00 0.74 C ATOM 1714 CG LEU A 112 8.600 -0.354 -2.054 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.188 -1.008 -0.734 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.076 1.084 -2.095 1.00 1.10 C ATOM 0 H LEU A 112 10.220 -2.059 -3.875 1.00 0.55 H new ATOM 0 HA LEU A 112 9.975 0.899 -3.955 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.526 -1.325 -1.912 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.549 0.367 -1.457 1.00 0.74 H new ATOM 0 HG LEU A 112 8.179 -0.919 -2.886 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.101 -1.014 -0.655 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.560 -2.032 -0.704 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.609 -0.444 0.098 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.989 1.078 -2.015 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.498 1.649 -1.264 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.367 1.551 -3.036 1.00 1.10 H new ATOM 1728 N LYS A 113 12.875 -0.586 -3.691 1.00 0.62 N ATOM 1729 CA LYS A 113 14.336 -0.297 -3.757 1.00 0.70 C ATOM 1730 C LYS A 113 14.836 -0.445 -5.196 1.00 0.75 C ATOM 1731 O LYS A 113 16.007 -0.660 -5.438 1.00 1.01 O ATOM 1732 CB LYS A 113 14.986 -1.345 -2.852 1.00 0.79 C ATOM 1733 CG LYS A 113 15.408 -0.692 -1.536 1.00 1.42 C ATOM 1734 CD LYS A 113 15.362 -1.731 -0.413 1.00 1.84 C ATOM 1735 CE LYS A 113 16.036 -1.163 0.837 1.00 2.39 C ATOM 1736 NZ LYS A 113 17.471 -1.543 0.705 1.00 2.86 N ATOM 0 H LYS A 113 12.628 -1.576 -3.678 1.00 0.62 H new ATOM 0 HA LYS A 113 14.574 0.719 -3.440 1.00 0.70 H new ATOM 0 HB2 LYS A 113 14.286 -2.158 -2.659 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.853 -1.782 -3.348 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.414 -0.283 -1.627 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.745 0.141 -1.302 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.328 -1.998 -0.192 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.867 -2.644 -0.728 1.00 1.84 H new ATOM 0 HE2 LYS A 113 15.917 -0.081 0.893 1.00 2.39 H new ATOM 0 HE3 LYS A 113 15.599 -1.579 1.745 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 18.001 -1.188 1.526 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.553 -2.579 0.661 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.862 -1.127 -0.165 1.00 2.86 H new ATOM 1750 N LYS A 114 13.955 -0.333 -6.153 1.00 0.71 N ATOM 1751 CA LYS A 114 14.378 -0.468 -7.576 1.00 0.89 C ATOM 1752 C LYS A 114 14.937 0.860 -8.094 1.00 1.07 C ATOM 1753 O LYS A 114 15.943 0.898 -8.773 1.00 1.31 O ATOM 1754 CB LYS A 114 13.104 -0.844 -8.333 1.00 0.92 C ATOM 1755 CG LYS A 114 13.344 -2.122 -9.137 1.00 1.45 C ATOM 1756 CD LYS A 114 12.000 -2.722 -9.555 1.00 1.77 C ATOM 1757 CE LYS A 114 12.201 -3.632 -10.769 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.826 -3.918 -11.266 1.00 3.00 N ATOM 0 H LYS A 114 12.961 -0.154 -6.011 1.00 0.71 H new ATOM 0 HA LYS A 114 15.164 -1.212 -7.703 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.283 -0.992 -7.632 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.812 -0.032 -8.999 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.946 -1.902 -10.019 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.905 -2.840 -8.539 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.571 -3.289 -8.729 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.294 -1.927 -9.796 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.804 -3.143 -11.534 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.720 -4.550 -10.493 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.880 -4.538 -12.099 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 10.278 -4.390 -10.519 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.359 -3.026 -11.527 1.00 3.00 H new ATOM 1772 N ARG A 115 14.292 1.949 -7.779 1.00 1.09 N ATOM 1773 CA ARG A 115 14.788 3.272 -8.257 1.00 1.40 C ATOM 1774 C ARG A 115 14.727 4.303 -7.126 1.00 1.25 C ATOM 1775 O ARG A 115 14.709 5.495 -7.360 1.00 1.55 O ATOM 1776 CB ARG A 115 13.841 3.665 -9.389 1.00 1.86 C ATOM 1777 CG ARG A 115 14.407 3.176 -10.724 1.00 2.43 C ATOM 1778 CD ARG A 115 13.445 3.548 -11.855 1.00 2.92 C ATOM 1779 NE ARG A 115 14.036 2.943 -13.080 1.00 3.45 N ATOM 1780 CZ ARG A 115 13.270 2.645 -14.094 1.00 3.99 C ATOM 1781 NH1 ARG A 115 12.269 1.823 -13.936 1.00 4.34 N ATOM 1782 NH2 ARG A 115 13.505 3.169 -15.266 1.00 4.52 N ATOM 0 H ARG A 115 13.444 1.981 -7.212 1.00 1.09 H new ATOM 0 HA ARG A 115 15.825 3.227 -8.589 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.855 3.231 -9.219 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.713 4.747 -9.411 1.00 1.86 H new ATOM 0 HG2 ARG A 115 15.385 3.624 -10.902 1.00 2.43 H new ATOM 0 HG3 ARG A 115 14.551 2.096 -10.696 1.00 2.43 H new ATOM 0 HD2 ARG A 115 12.445 3.159 -11.666 1.00 2.92 H new ATOM 0 HD3 ARG A 115 13.353 4.630 -11.954 1.00 2.92 H new ATOM 0 HE ARG A 115 15.039 2.761 -13.127 1.00 3.45 H new ATOM 0 HH11 ARG A 115 12.085 1.413 -13.020 1.00 4.34 H new ATOM 0 HH12 ARG A 115 11.670 1.590 -14.728 1.00 4.34 H new ATOM 0 HH21 ARG A 115 14.287 3.812 -15.390 1.00 4.52 H new ATOM 0 HH22 ARG A 115 12.906 2.936 -16.058 1.00 4.52 H new