USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 CYS SG : rot 174:sc= -3.71 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -4.96! C(o=-10!,f=-21!) USER MOD Set 1.3: A 71 CYS SG : rot 50:sc= -2.05 USER MOD Set 1.4: A 73 SER OG : rot -143:sc= 0.85 USER MOD Set 1.5: A 74 CYS SG : rot 180:sc= -1.34 USER MOD Set 1.6: A 76 THR OG1 : rot 85:sc= 1.21 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= -6.92! C(o=-19!,f=-19!) USER MOD Set 2.2: A 70 GLN : amide:sc= -11.6! C(o=-19!,f=-35!) USER MOD Set 3.1: A 14 CYS SG : rot 80:sc= -0.723 USER MOD Set 3.2: A 17 CYS SG : rot -48:sc= -3.08! USER MOD Set 3.3: A 25 SER OG : rot 101:sc= 0.229 USER MOD Set 3.4: A 52 HIS : no HD1:sc= -7.55! C(o=-12!,f=-16!) USER MOD Set 3.5: A 55 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 3 THR OG1 : rot -72:sc= -0.707 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0318) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 44:sc= -2.85! USER MOD Single : A 27 TYR OH : rot 30:sc= -0.432 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -46:sc= -3.71! USER MOD Single : A 38 SER OG : rot 64:sc= 1.04 USER MOD Single : A 43 HIS : no HE2:sc= -2.65! C(o=-2.7!,f=-4.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -3:sc= 0.17 USER MOD Single : A 59 MET CE :methyl -148:sc= -6.5 (180deg=-12.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc=-0.00339 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.242 (180deg=-0.66) USER MOD Single : A 68 SER OG : rot 180:sc= -0.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.590 -0.167 -3.984 1.00 0.00 N ATOM 37 CA THR A 3 2.658 -1.271 -4.170 1.00 0.00 C ATOM 38 C THR A 3 1.740 -1.020 -5.362 1.00 0.00 C ATOM 39 O THR A 3 1.489 0.126 -5.733 1.00 0.00 O ATOM 40 CB THR A 3 1.796 -1.498 -2.913 1.00 0.00 C ATOM 41 OG1 THR A 3 0.414 -1.586 -3.275 1.00 0.00 O ATOM 42 CG2 THR A 3 1.992 -0.368 -1.912 1.00 0.00 C ATOM 0 HA THR A 3 3.257 -2.162 -4.356 1.00 0.00 H new ATOM 0 HB THR A 3 2.109 -2.433 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.085 -0.699 -3.530 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.374 -0.549 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.040 -0.322 -1.616 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.703 0.578 -2.370 1.00 0.00 H new ATOM 50 N GLU A 4 1.243 -2.100 -5.957 1.00 0.00 N ATOM 51 CA GLU A 4 0.352 -1.996 -7.107 1.00 0.00 C ATOM 52 C GLU A 4 -0.999 -2.639 -6.811 1.00 0.00 C ATOM 53 O GLU A 4 -1.075 -3.826 -6.494 1.00 0.00 O ATOM 54 CB GLU A 4 0.987 -2.657 -8.333 1.00 0.00 C ATOM 55 CG GLU A 4 0.091 -3.684 -9.003 1.00 0.00 C ATOM 56 CD GLU A 4 0.680 -4.220 -10.293 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.568 -3.551 -10.861 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.253 -5.307 -10.734 1.00 0.00 O ATOM 0 H GLU A 4 1.442 -3.056 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 4 0.192 -0.938 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.246 -1.885 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.918 -3.139 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.083 -4.512 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.879 -3.233 -9.211 1.00 0.00 H new ATOM 65 N GLU A 5 -2.061 -1.848 -6.916 1.00 0.00 N ATOM 66 CA GLU A 5 -3.409 -2.340 -6.658 1.00 0.00 C ATOM 67 C GLU A 5 -3.585 -3.755 -7.202 1.00 0.00 C ATOM 68 O GLU A 5 -3.015 -4.110 -8.235 1.00 0.00 O ATOM 69 CB GLU A 5 -4.446 -1.407 -7.286 1.00 0.00 C ATOM 70 CG GLU A 5 -5.822 -1.510 -6.649 1.00 0.00 C ATOM 71 CD GLU A 5 -6.858 -0.661 -7.359 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.061 -0.982 -7.253 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.467 0.325 -8.018 1.00 0.00 O ATOM 0 H GLU A 5 -2.014 -0.863 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.559 -2.363 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.093 -0.379 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.529 -1.633 -8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.144 -2.551 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.759 -1.203 -5.605 1.00 0.00 H new ATOM 80 N LEU A 6 -4.376 -4.559 -6.500 1.00 0.00 N ATOM 81 CA LEU A 6 -4.628 -5.935 -6.913 1.00 0.00 C ATOM 82 C LEU A 6 -6.048 -6.093 -7.446 1.00 0.00 C ATOM 83 O LEU A 6 -7.021 -5.952 -6.704 1.00 0.00 O ATOM 84 CB LEU A 6 -4.403 -6.890 -5.738 1.00 0.00 C ATOM 85 CG LEU A 6 -2.957 -7.043 -5.266 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.720 -8.441 -4.715 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.990 -6.744 -6.402 1.00 0.00 C ATOM 0 H LEU A 6 -4.854 -4.282 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.930 -6.181 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.005 -6.547 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.779 -7.874 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.779 -6.325 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.685 -8.531 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.388 -8.618 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.917 -9.177 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.966 -6.858 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.169 -7.437 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.142 -5.722 -6.750 1.00 0.00 H new ATOM 99 N LYS A 7 -6.160 -6.388 -8.736 1.00 0.00 N ATOM 100 CA LYS A 7 -7.461 -6.569 -9.369 1.00 0.00 C ATOM 101 C LYS A 7 -8.275 -7.637 -8.647 1.00 0.00 C ATOM 102 O LYS A 7 -9.481 -7.766 -8.861 1.00 0.00 O ATOM 103 CB LYS A 7 -7.287 -6.954 -10.840 1.00 0.00 C ATOM 104 CG LYS A 7 -7.660 -5.846 -11.809 1.00 0.00 C ATOM 105 CD LYS A 7 -6.560 -5.601 -12.827 1.00 0.00 C ATOM 106 CE LYS A 7 -6.838 -6.328 -14.134 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.785 -7.807 -13.969 1.00 0.00 N ATOM 0 H LYS A 7 -5.365 -6.507 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.000 -5.624 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.249 -7.240 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.899 -7.831 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.583 -6.109 -12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.855 -4.928 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.470 -4.531 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.605 -5.934 -12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.820 -6.039 -14.508 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.109 -6.020 -14.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.980 -8.265 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.840 -8.086 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.498 -8.104 -13.273 1.00 0.00 H new ATOM 121 N VAL A 8 -7.608 -8.401 -7.786 1.00 0.00 N ATOM 122 CA VAL A 8 -8.271 -9.457 -7.029 1.00 0.00 C ATOM 123 C VAL A 8 -7.488 -9.799 -5.766 1.00 0.00 C ATOM 124 O VAL A 8 -6.293 -9.527 -5.653 1.00 0.00 O ATOM 125 CB VAL A 8 -8.442 -10.732 -7.876 1.00 0.00 C ATOM 126 CG1 VAL A 8 -9.815 -10.758 -8.529 1.00 0.00 C ATOM 127 CG2 VAL A 8 -7.342 -10.829 -8.922 1.00 0.00 C ATOM 0 H VAL A 8 -6.610 -8.308 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.256 -9.080 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.362 -11.598 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.918 -11.666 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.585 -10.740 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.927 -9.887 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.479 -11.736 -9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.386 -9.960 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.371 -10.861 -8.427 1.00 0.00 H new ATOM 137 N PRO A 9 -8.177 -10.414 -4.792 1.00 0.00 N ATOM 138 CA PRO A 9 -7.567 -10.809 -3.519 1.00 0.00 C ATOM 139 C PRO A 9 -6.580 -11.960 -3.683 1.00 0.00 C ATOM 140 O PRO A 9 -6.896 -13.003 -4.255 1.00 0.00 O ATOM 141 CB PRO A 9 -8.764 -11.246 -2.672 1.00 0.00 C ATOM 142 CG PRO A 9 -9.798 -11.660 -3.663 1.00 0.00 C ATOM 143 CD PRO A 9 -9.604 -10.770 -4.860 1.00 0.00 C ATOM 0 HA PRO A 9 -6.988 -9.999 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.500 -12.069 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.122 -10.431 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.681 -12.709 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.801 -11.547 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.845 -11.287 -5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.241 -9.887 -4.812 1.00 0.00 H new ATOM 151 N PRO A 10 -5.357 -11.769 -3.167 1.00 0.00 N ATOM 152 CA PRO A 10 -4.300 -12.782 -3.242 1.00 0.00 C ATOM 153 C PRO A 10 -4.590 -13.990 -2.359 1.00 0.00 C ATOM 154 O PRO A 10 -5.227 -14.950 -2.792 1.00 0.00 O ATOM 155 CB PRO A 10 -3.059 -12.038 -2.742 1.00 0.00 C ATOM 156 CG PRO A 10 -3.594 -10.955 -1.869 1.00 0.00 C ATOM 157 CD PRO A 10 -4.911 -10.550 -2.472 1.00 0.00 C ATOM 0 HA PRO A 10 -4.194 -13.186 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.396 -12.702 -2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.481 -11.629 -3.571 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.725 -11.307 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.907 -10.110 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.624 -10.239 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.797 -9.713 -3.161 1.00 0.00 H new ATOM 165 N ASP A 11 -4.118 -13.936 -1.118 1.00 0.00 N ATOM 166 CA ASP A 11 -4.329 -15.026 -0.172 1.00 0.00 C ATOM 167 C ASP A 11 -3.365 -14.916 1.005 1.00 0.00 C ATOM 168 O ASP A 11 -2.901 -15.926 1.534 1.00 0.00 O ATOM 169 CB ASP A 11 -4.151 -16.376 -0.869 1.00 0.00 C ATOM 170 CG ASP A 11 -5.474 -16.994 -1.279 1.00 0.00 C ATOM 171 OD1 ASP A 11 -5.501 -17.715 -2.298 1.00 0.00 O ATOM 172 OD2 ASP A 11 -6.481 -16.757 -0.580 1.00 0.00 O ATOM 0 H ASP A 11 -3.587 -13.150 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.348 -14.954 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.525 -16.246 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.625 -17.059 -0.202 1.00 0.00 H new ATOM 177 N GLU A 12 -3.070 -13.685 1.410 1.00 0.00 N ATOM 178 CA GLU A 12 -2.160 -13.445 2.525 1.00 0.00 C ATOM 179 C GLU A 12 -2.907 -12.864 3.722 1.00 0.00 C ATOM 180 O GLU A 12 -2.455 -12.974 4.861 1.00 0.00 O ATOM 181 CB GLU A 12 -1.038 -12.496 2.100 1.00 0.00 C ATOM 182 CG GLU A 12 0.349 -13.108 2.204 1.00 0.00 C ATOM 183 CD GLU A 12 0.999 -13.314 0.850 1.00 0.00 C ATOM 184 OE1 GLU A 12 2.213 -13.048 0.729 1.00 0.00 O ATOM 185 OE2 GLU A 12 0.295 -13.742 -0.088 1.00 0.00 O ATOM 0 H GLU A 12 -3.447 -12.839 0.983 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.726 -14.401 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.211 -12.181 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.078 -11.600 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.982 -12.462 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.282 -14.066 2.720 1.00 0.00 H new ATOM 192 N ASP A 13 -4.052 -12.246 3.454 1.00 0.00 N ATOM 193 CA ASP A 13 -4.863 -11.647 4.508 1.00 0.00 C ATOM 194 C ASP A 13 -4.124 -10.488 5.168 1.00 0.00 C ATOM 195 O ASP A 13 -2.969 -10.622 5.573 1.00 0.00 O ATOM 196 CB ASP A 13 -5.230 -12.699 5.557 1.00 0.00 C ATOM 197 CG ASP A 13 -5.952 -13.889 4.956 1.00 0.00 C ATOM 198 OD1 ASP A 13 -5.762 -14.151 3.750 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.706 -14.558 5.692 1.00 0.00 O ATOM 0 H ASP A 13 -4.440 -12.147 2.516 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.777 -11.261 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.324 -13.042 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.861 -12.243 6.320 1.00 0.00 H new ATOM 204 N CYS A 14 -4.799 -9.347 5.274 1.00 0.00 N ATOM 205 CA CYS A 14 -4.208 -8.162 5.884 1.00 0.00 C ATOM 206 C CYS A 14 -3.423 -8.532 7.140 1.00 0.00 C ATOM 207 O CYS A 14 -3.592 -9.618 7.693 1.00 0.00 O ATOM 208 CB CYS A 14 -5.296 -7.145 6.230 1.00 0.00 C ATOM 209 SG CYS A 14 -4.663 -5.591 6.940 1.00 0.00 S ATOM 0 H CYS A 14 -5.756 -9.219 4.945 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.520 -7.717 5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.864 -6.915 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.991 -7.599 6.937 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.224 -4.825 5.986 1.00 0.00 H new ATOM 214 N ILE A 15 -2.565 -7.619 7.583 1.00 0.00 N ATOM 215 CA ILE A 15 -1.756 -7.847 8.774 1.00 0.00 C ATOM 216 C ILE A 15 -2.052 -6.807 9.848 1.00 0.00 C ATOM 217 O ILE A 15 -1.846 -7.052 11.038 1.00 0.00 O ATOM 218 CB ILE A 15 -0.251 -7.816 8.446 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.038 -7.679 6.937 1.00 0.00 C ATOM 220 CG2 ILE A 15 0.432 -9.070 8.971 1.00 0.00 C ATOM 221 CD1 ILE A 15 -0.353 -8.942 6.166 1.00 0.00 C ATOM 0 H ILE A 15 -2.412 -6.715 7.135 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.018 -8.836 9.149 1.00 0.00 H new ATOM 0 HB ILE A 15 0.195 -6.951 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.663 -6.868 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.998 -7.396 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.495 -9.033 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.306 -9.128 10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.014 -9.949 8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.180 -8.772 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.290 -9.751 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.396 -9.214 6.325 1.00 0.00 H new ATOM 233 N ILE A 16 -2.538 -5.646 9.422 1.00 0.00 N ATOM 234 CA ILE A 16 -2.865 -4.569 10.348 1.00 0.00 C ATOM 235 C ILE A 16 -4.109 -4.905 11.164 1.00 0.00 C ATOM 236 O ILE A 16 -4.036 -5.097 12.378 1.00 0.00 O ATOM 237 CB ILE A 16 -3.097 -3.239 9.606 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.236 -3.179 8.342 1.00 0.00 C ATOM 239 CG2 ILE A 16 -2.789 -2.063 10.520 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.766 -1.784 7.997 1.00 0.00 C ATOM 0 H ILE A 16 -2.714 -5.427 8.441 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.012 -4.459 11.017 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.145 -3.181 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.367 -3.824 8.473 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.807 -3.579 7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.957 -1.130 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.440 -2.101 11.393 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.748 -2.114 10.841 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.162 -1.817 7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.629 -1.139 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.168 -1.388 8.818 1.00 0.00 H new ATOM 252 N CYS A 17 -5.252 -4.979 10.489 1.00 0.00 N ATOM 253 CA CYS A 17 -6.512 -5.293 11.150 1.00 0.00 C ATOM 254 C CYS A 17 -6.765 -6.799 11.150 1.00 0.00 C ATOM 255 O CYS A 17 -7.905 -7.246 11.267 1.00 0.00 O ATOM 256 CB CYS A 17 -7.669 -4.571 10.458 1.00 0.00 C ATOM 257 SG CYS A 17 -8.102 -5.252 8.825 1.00 0.00 S ATOM 0 H CYS A 17 -5.330 -4.825 9.484 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.446 -4.952 12.183 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.547 -4.615 11.102 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.410 -3.519 10.343 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.022 -5.401 8.117 1.00 0.00 H new ATOM 262 N MET A 18 -5.694 -7.573 11.019 1.00 0.00 N ATOM 263 CA MET A 18 -5.799 -9.028 11.005 1.00 0.00 C ATOM 264 C MET A 18 -7.081 -9.473 10.310 1.00 0.00 C ATOM 265 O MET A 18 -7.779 -10.367 10.788 1.00 0.00 O ATOM 266 CB MET A 18 -5.762 -9.577 12.432 1.00 0.00 C ATOM 267 CG MET A 18 -4.737 -10.680 12.632 1.00 0.00 C ATOM 268 SD MET A 18 -5.476 -12.326 12.617 1.00 0.00 S ATOM 269 CE MET A 18 -4.903 -12.940 11.036 1.00 0.00 C ATOM 0 H MET A 18 -4.743 -7.218 10.921 1.00 0.00 H new ATOM 0 HA MET A 18 -4.949 -9.424 10.449 1.00 0.00 H new ATOM 0 HB2 MET A 18 -5.544 -8.761 13.121 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.750 -9.959 12.691 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.983 -10.617 11.847 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.223 -10.525 13.581 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.278 -13.951 10.881 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.268 -12.291 10.240 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.813 -12.952 11.024 1.00 0.00 H new ATOM 279 N GLU A 19 -7.386 -8.843 9.179 1.00 0.00 N ATOM 280 CA GLU A 19 -8.586 -9.176 8.420 1.00 0.00 C ATOM 281 C GLU A 19 -8.225 -9.682 7.026 1.00 0.00 C ATOM 282 O GLU A 19 -7.150 -9.386 6.504 1.00 0.00 O ATOM 283 CB GLU A 19 -9.501 -7.955 8.309 1.00 0.00 C ATOM 284 CG GLU A 19 -10.945 -8.303 7.993 1.00 0.00 C ATOM 285 CD GLU A 19 -11.610 -9.095 9.102 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.823 -9.372 8.988 1.00 0.00 O ATOM 287 OE2 GLU A 19 -10.919 -9.439 10.084 1.00 0.00 O ATOM 0 H GLU A 19 -6.819 -8.100 8.769 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.112 -9.969 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.467 -7.400 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.117 -7.293 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.507 -7.385 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.982 -8.878 7.068 1.00 0.00 H new ATOM 294 N LYS A 20 -9.132 -10.448 6.429 1.00 0.00 N ATOM 295 CA LYS A 20 -8.912 -10.996 5.096 1.00 0.00 C ATOM 296 C LYS A 20 -8.532 -9.896 4.110 1.00 0.00 C ATOM 297 O LYS A 20 -8.974 -8.753 4.239 1.00 0.00 O ATOM 298 CB LYS A 20 -10.168 -11.721 4.606 1.00 0.00 C ATOM 299 CG LYS A 20 -9.925 -13.171 4.227 1.00 0.00 C ATOM 300 CD LYS A 20 -10.912 -13.647 3.175 1.00 0.00 C ATOM 301 CE LYS A 20 -12.335 -13.665 3.713 1.00 0.00 C ATOM 302 NZ LYS A 20 -12.546 -14.775 4.683 1.00 0.00 N ATOM 0 H LYS A 20 -10.026 -10.703 6.847 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.088 -11.707 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.928 -11.681 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.569 -11.191 3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.908 -13.284 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.008 -13.798 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.860 -12.994 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.635 -14.647 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.552 -12.713 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.036 -13.768 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.547 -14.806 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.282 -15.678 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.956 -14.617 5.525 1.00 0.00 H new ATOM 316 N LEU A 21 -7.711 -10.246 3.127 1.00 0.00 N ATOM 317 CA LEU A 21 -7.271 -9.288 2.118 1.00 0.00 C ATOM 318 C LEU A 21 -8.363 -9.052 1.079 1.00 0.00 C ATOM 319 O LEU A 21 -8.158 -8.335 0.101 1.00 0.00 O ATOM 320 CB LEU A 21 -5.999 -9.787 1.432 1.00 0.00 C ATOM 321 CG LEU A 21 -4.679 -9.282 2.016 1.00 0.00 C ATOM 322 CD1 LEU A 21 -3.499 -9.880 1.265 1.00 0.00 C ATOM 323 CD2 LEU A 21 -4.625 -7.761 1.974 1.00 0.00 C ATOM 0 H LEU A 21 -7.336 -11.187 3.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.060 -8.343 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.995 -10.876 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.041 -9.501 0.381 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.619 -9.600 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.568 -9.509 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.529 -10.967 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.553 -9.593 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.679 -7.419 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.708 -7.422 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.450 -7.351 2.557 1.00 0.00 H new ATOM 335 N SER A 22 -9.525 -9.657 1.302 1.00 0.00 N ATOM 336 CA SER A 22 -10.650 -9.514 0.385 1.00 0.00 C ATOM 337 C SER A 22 -11.851 -8.892 1.091 1.00 0.00 C ATOM 338 O SER A 22 -12.735 -8.320 0.451 1.00 0.00 O ATOM 339 CB SER A 22 -11.036 -10.875 -0.199 1.00 0.00 C ATOM 340 OG SER A 22 -12.141 -11.431 0.492 1.00 0.00 O ATOM 0 H SER A 22 -9.712 -10.251 2.110 1.00 0.00 H new ATOM 0 HA SER A 22 -10.344 -8.852 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.282 -10.765 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.186 -11.555 -0.139 1.00 0.00 H new ATOM 0 HG SER A 22 -12.369 -12.299 0.099 1.00 0.00 H new ATOM 346 N THR A 23 -11.877 -9.007 2.415 1.00 0.00 N ATOM 347 CA THR A 23 -12.968 -8.458 3.209 1.00 0.00 C ATOM 348 C THR A 23 -12.744 -6.980 3.504 1.00 0.00 C ATOM 349 O THR A 23 -13.149 -6.478 4.552 1.00 0.00 O ATOM 350 CB THR A 23 -13.132 -9.216 4.540 1.00 0.00 C ATOM 351 OG1 THR A 23 -11.858 -9.690 4.993 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.088 -10.389 4.382 1.00 0.00 C ATOM 0 H THR A 23 -11.154 -9.476 2.960 1.00 0.00 H new ATOM 0 HA THR A 23 -13.877 -8.574 2.619 1.00 0.00 H new ATOM 0 HB THR A 23 -13.547 -8.527 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.188 -8.983 4.883 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.187 -10.908 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.064 -10.022 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.698 -11.078 3.632 1.00 0.00 H new ATOM 360 N ALA A 24 -12.096 -6.287 2.572 1.00 0.00 N ATOM 361 CA ALA A 24 -11.821 -4.865 2.732 1.00 0.00 C ATOM 362 C ALA A 24 -11.048 -4.596 4.019 1.00 0.00 C ATOM 363 O ALA A 24 -10.793 -5.510 4.803 1.00 0.00 O ATOM 364 CB ALA A 24 -13.119 -4.071 2.717 1.00 0.00 C ATOM 0 H ALA A 24 -11.752 -6.688 1.699 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.202 -4.544 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.898 -3.010 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.631 -4.229 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.758 -4.404 3.535 1.00 0.00 H new ATOM 370 N SER A 25 -10.678 -3.337 4.228 1.00 0.00 N ATOM 371 CA SER A 25 -9.929 -2.948 5.419 1.00 0.00 C ATOM 372 C SER A 25 -10.842 -2.895 6.640 1.00 0.00 C ATOM 373 O SER A 25 -12.045 -2.667 6.521 1.00 0.00 O ATOM 374 CB SER A 25 -9.262 -1.588 5.207 1.00 0.00 C ATOM 375 OG SER A 25 -9.079 -0.912 6.438 1.00 0.00 O ATOM 0 H SER A 25 -10.884 -2.569 3.589 1.00 0.00 H new ATOM 0 HA SER A 25 -9.158 -3.698 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.298 -1.725 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.874 -0.979 4.542 1.00 0.00 H new ATOM 0 HG SER A 25 -8.147 -1.005 6.727 1.00 0.00 H new ATOM 381 N GLY A 26 -10.259 -3.108 7.817 1.00 0.00 N ATOM 382 CA GLY A 26 -11.033 -3.080 9.044 1.00 0.00 C ATOM 383 C GLY A 26 -10.980 -1.730 9.731 1.00 0.00 C ATOM 384 O GLY A 26 -11.796 -1.440 10.608 1.00 0.00 O ATOM 0 H GLY A 26 -9.265 -3.299 7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.070 -3.331 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.659 -3.845 9.724 1.00 0.00 H new ATOM 388 N TYR A 27 -10.019 -0.904 9.337 1.00 0.00 N ATOM 389 CA TYR A 27 -9.861 0.421 9.925 1.00 0.00 C ATOM 390 C TYR A 27 -10.758 1.439 9.224 1.00 0.00 C ATOM 391 O TYR A 27 -10.861 2.589 9.650 1.00 0.00 O ATOM 392 CB TYR A 27 -8.401 0.868 9.841 1.00 0.00 C ATOM 393 CG TYR A 27 -7.473 0.078 10.736 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.955 -0.957 11.526 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.115 0.368 10.790 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.111 -1.682 12.346 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.264 -0.352 11.606 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.767 -1.376 12.382 1.00 0.00 C ATOM 399 OH TYR A 27 -4.922 -2.094 13.197 1.00 0.00 O ATOM 0 H TYR A 27 -9.337 -1.128 8.613 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.157 0.364 10.973 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.061 0.778 8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.337 1.923 10.107 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.007 -1.200 11.499 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.718 1.169 10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.502 -2.484 12.955 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.211 -0.115 11.636 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.262 -3.008 13.296 1.00 0.00 H new ATOM 409 N SER A 28 -11.404 1.005 8.146 1.00 0.00 N ATOM 410 CA SER A 28 -12.290 1.877 7.383 1.00 0.00 C ATOM 411 C SER A 28 -13.133 2.743 8.314 1.00 0.00 C ATOM 412 O SER A 28 -13.581 3.826 7.937 1.00 0.00 O ATOM 413 CB SER A 28 -13.200 1.047 6.476 1.00 0.00 C ATOM 414 OG SER A 28 -14.550 1.131 6.893 1.00 0.00 O ATOM 0 H SER A 28 -11.330 0.055 7.781 1.00 0.00 H new ATOM 0 HA SER A 28 -11.673 2.531 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.111 1.398 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.877 0.006 6.486 1.00 0.00 H new ATOM 0 HG SER A 28 -15.111 0.593 6.296 1.00 0.00 H new ATOM 420 N ASP A 29 -13.346 2.256 9.532 1.00 0.00 N ATOM 421 CA ASP A 29 -14.136 2.985 10.519 1.00 0.00 C ATOM 422 C ASP A 29 -13.550 4.371 10.767 1.00 0.00 C ATOM 423 O ASP A 29 -14.221 5.384 10.569 1.00 0.00 O ATOM 424 CB ASP A 29 -14.199 2.201 11.831 1.00 0.00 C ATOM 425 CG ASP A 29 -15.595 2.177 12.423 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.571 2.193 11.644 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.711 2.142 13.665 1.00 0.00 O ATOM 0 H ASP A 29 -12.983 1.361 9.860 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.146 3.103 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.863 1.179 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.510 2.645 12.550 1.00 0.00 H new ATOM 432 N VAL A 30 -12.295 4.407 11.203 1.00 0.00 N ATOM 433 CA VAL A 30 -11.619 5.670 11.479 1.00 0.00 C ATOM 434 C VAL A 30 -10.964 6.229 10.221 1.00 0.00 C ATOM 435 O VAL A 30 -11.400 7.247 9.681 1.00 0.00 O ATOM 436 CB VAL A 30 -10.545 5.504 12.571 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.937 6.852 12.931 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.137 4.832 13.801 1.00 0.00 C ATOM 0 H VAL A 30 -11.726 3.578 11.373 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.381 6.367 11.830 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.751 4.866 12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.181 6.715 13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.477 7.291 12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.718 7.516 13.301 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.365 4.722 14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.950 5.443 14.194 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.521 3.849 13.529 1.00 0.00 H new ATOM 448 N THR A 31 -9.916 5.557 9.757 1.00 0.00 N ATOM 449 CA THR A 31 -9.200 5.987 8.561 1.00 0.00 C ATOM 450 C THR A 31 -10.167 6.460 7.482 1.00 0.00 C ATOM 451 O THR A 31 -10.645 5.664 6.673 1.00 0.00 O ATOM 452 CB THR A 31 -8.326 4.854 7.992 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.111 3.668 7.822 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.150 4.563 8.911 1.00 0.00 C ATOM 0 H THR A 31 -9.543 4.712 10.191 1.00 0.00 H new ATOM 0 HA THR A 31 -8.558 6.816 8.858 1.00 0.00 H new ATOM 0 HB THR A 31 -7.939 5.175 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.646 3.511 8.628 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.548 3.759 8.488 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.538 5.459 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.520 4.262 9.891 1.00 0.00 H new ATOM 517 N LEU A 36 -8.249 5.543 -1.205 1.00 0.00 N ATOM 518 CA LEU A 36 -8.189 4.099 -1.017 1.00 0.00 C ATOM 519 C LEU A 36 -9.584 3.484 -1.076 1.00 0.00 C ATOM 520 O LEU A 36 -9.748 2.325 -1.455 1.00 0.00 O ATOM 521 CB LEU A 36 -7.529 3.766 0.322 1.00 0.00 C ATOM 522 CG LEU A 36 -6.208 4.478 0.616 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.171 4.963 2.056 1.00 0.00 C ATOM 524 CD2 LEU A 36 -5.031 3.558 0.329 1.00 0.00 C ATOM 0 HA LEU A 36 -7.591 3.677 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.232 4.004 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.355 2.691 0.361 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.132 5.346 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.223 5.467 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.993 5.659 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.271 4.112 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.099 4.081 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.102 2.670 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.048 3.262 -0.720 1.00 0.00 H new ATOM 536 N GLY A 37 -10.588 4.270 -0.699 1.00 0.00 N ATOM 537 CA GLY A 37 -11.957 3.786 -0.718 1.00 0.00 C ATOM 538 C GLY A 37 -12.126 2.494 0.057 1.00 0.00 C ATOM 539 O GLY A 37 -13.129 1.797 -0.097 1.00 0.00 O ATOM 0 H GLY A 37 -10.478 5.233 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.614 4.547 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.270 3.630 -1.750 1.00 0.00 H new ATOM 543 N SER A 38 -11.143 2.174 0.891 1.00 0.00 N ATOM 544 CA SER A 38 -11.184 0.954 1.689 1.00 0.00 C ATOM 545 C SER A 38 -11.596 -0.241 0.834 1.00 0.00 C ATOM 546 O SER A 38 -12.552 -0.949 1.154 1.00 0.00 O ATOM 547 CB SER A 38 -12.157 1.117 2.858 1.00 0.00 C ATOM 548 OG SER A 38 -13.498 0.950 2.434 1.00 0.00 O ATOM 0 H SER A 38 -10.308 2.742 1.032 1.00 0.00 H new ATOM 0 HA SER A 38 -10.183 0.772 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.924 0.387 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.033 2.104 3.303 1.00 0.00 H new ATOM 0 HG SER A 38 -13.628 0.033 2.113 1.00 0.00 H new ATOM 554 N LEU A 39 -10.867 -0.460 -0.255 1.00 0.00 N ATOM 555 CA LEU A 39 -11.155 -1.569 -1.158 1.00 0.00 C ATOM 556 C LEU A 39 -10.133 -1.630 -2.289 1.00 0.00 C ATOM 557 O LEU A 39 -10.491 -1.591 -3.465 1.00 0.00 O ATOM 558 CB LEU A 39 -12.564 -1.429 -1.736 1.00 0.00 C ATOM 559 CG LEU A 39 -13.107 -2.648 -2.482 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.180 -3.343 -1.659 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.656 -2.240 -3.842 1.00 0.00 C ATOM 0 H LEU A 39 -10.072 0.116 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.093 -2.495 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.248 -1.193 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.573 -0.578 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.287 -3.349 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.555 -4.208 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.756 -3.670 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.000 -2.650 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.038 -3.120 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.463 -1.519 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.861 -1.788 -4.435 1.00 0.00 H new ATOM 573 N ALA A 40 -8.859 -1.727 -1.923 1.00 0.00 N ATOM 574 CA ALA A 40 -7.785 -1.797 -2.907 1.00 0.00 C ATOM 575 C ALA A 40 -6.508 -2.355 -2.286 1.00 0.00 C ATOM 576 O ALA A 40 -5.699 -1.612 -1.733 1.00 0.00 O ATOM 577 CB ALA A 40 -7.527 -0.423 -3.505 1.00 0.00 C ATOM 0 H ALA A 40 -8.545 -1.759 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.097 -2.474 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.723 -0.490 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.433 -0.062 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.240 0.270 -2.714 1.00 0.00 H new ATOM 583 N VAL A 41 -6.334 -3.669 -2.382 1.00 0.00 N ATOM 584 CA VAL A 41 -5.156 -4.328 -1.832 1.00 0.00 C ATOM 585 C VAL A 41 -4.010 -4.334 -2.837 1.00 0.00 C ATOM 586 O VAL A 41 -4.193 -4.689 -4.001 1.00 0.00 O ATOM 587 CB VAL A 41 -5.466 -5.777 -1.412 1.00 0.00 C ATOM 588 CG1 VAL A 41 -6.417 -6.427 -2.405 1.00 0.00 C ATOM 589 CG2 VAL A 41 -4.181 -6.581 -1.287 1.00 0.00 C ATOM 0 H VAL A 41 -6.995 -4.299 -2.836 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.859 -3.760 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.953 -5.759 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.625 -7.450 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.348 -5.862 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.960 -6.435 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.418 -7.602 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.665 -6.593 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.538 -6.124 -0.535 1.00 0.00 H new ATOM 599 N GLY A 42 -2.826 -3.941 -2.379 1.00 0.00 N ATOM 600 CA GLY A 42 -1.666 -3.910 -3.251 1.00 0.00 C ATOM 601 C GLY A 42 -0.401 -4.366 -2.551 1.00 0.00 C ATOM 602 O GLY A 42 -0.091 -3.905 -1.453 1.00 0.00 O ATOM 0 H GLY A 42 -2.649 -3.643 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.849 -4.548 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.525 -2.896 -3.626 1.00 0.00 H new ATOM 606 N HIS A 43 0.330 -5.275 -3.188 1.00 0.00 N ATOM 607 CA HIS A 43 1.568 -5.795 -2.618 1.00 0.00 C ATOM 608 C HIS A 43 2.719 -4.815 -2.832 1.00 0.00 C ATOM 609 O HIS A 43 2.912 -4.301 -3.934 1.00 0.00 O ATOM 610 CB HIS A 43 1.913 -7.147 -3.241 1.00 0.00 C ATOM 611 CG HIS A 43 2.259 -7.066 -4.696 1.00 0.00 C ATOM 612 ND1 HIS A 43 3.385 -6.424 -5.166 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.621 -7.552 -5.786 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.424 -6.517 -6.484 1.00 0.00 C ATOM 615 NE2 HIS A 43 2.365 -7.197 -6.885 1.00 0.00 N ATOM 0 H HIS A 43 0.087 -5.666 -4.098 1.00 0.00 H new ATOM 0 HA HIS A 43 1.418 -5.925 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.753 -7.583 -2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.067 -7.822 -3.114 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.079 -5.951 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.699 -8.114 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.191 -6.107 -7.124 1.00 0.00 H new ATOM 623 N LEU A 44 3.477 -4.560 -1.772 1.00 0.00 N ATOM 624 CA LEU A 44 4.607 -3.641 -1.842 1.00 0.00 C ATOM 625 C LEU A 44 5.735 -4.230 -2.683 1.00 0.00 C ATOM 626 O LEU A 44 6.424 -5.158 -2.256 1.00 0.00 O ATOM 627 CB LEU A 44 5.118 -3.319 -0.437 1.00 0.00 C ATOM 628 CG LEU A 44 5.248 -1.834 -0.094 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.619 -1.541 1.258 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.710 -1.411 -0.107 1.00 0.00 C ATOM 0 H LEU A 44 3.329 -4.977 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 44 4.266 -2.721 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.447 -3.781 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.094 -3.787 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 4.716 -1.258 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.721 -0.480 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.562 -1.806 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.122 -2.126 2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.784 -0.352 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.264 -1.994 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.130 -1.584 -1.098 1.00 0.00 H new ATOM 642 N THR A 45 5.923 -3.684 -3.880 1.00 0.00 N ATOM 643 CA THR A 45 6.968 -4.154 -4.780 1.00 0.00 C ATOM 644 C THR A 45 8.256 -4.451 -4.020 1.00 0.00 C ATOM 645 O THR A 45 9.040 -5.312 -4.418 1.00 0.00 O ATOM 646 CB THR A 45 7.265 -3.122 -5.885 1.00 0.00 C ATOM 647 OG1 THR A 45 7.674 -1.882 -5.300 1.00 0.00 O ATOM 648 CG2 THR A 45 6.039 -2.896 -6.758 1.00 0.00 C ATOM 0 H THR A 45 5.364 -2.915 -4.249 1.00 0.00 H new ATOM 0 HA THR A 45 6.600 -5.071 -5.239 1.00 0.00 H new ATOM 0 HB THR A 45 8.069 -3.512 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.862 -1.232 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.273 -2.164 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.747 -3.836 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.218 -2.526 -6.144 1.00 0.00 H new ATOM 656 N LYS A 46 8.468 -3.733 -2.923 1.00 0.00 N ATOM 657 CA LYS A 46 9.660 -3.920 -2.104 1.00 0.00 C ATOM 658 C LYS A 46 9.807 -5.379 -1.683 1.00 0.00 C ATOM 659 O LYS A 46 10.706 -6.082 -2.146 1.00 0.00 O ATOM 660 CB LYS A 46 9.599 -3.024 -0.864 1.00 0.00 C ATOM 661 CG LYS A 46 9.839 -1.555 -1.164 1.00 0.00 C ATOM 662 CD LYS A 46 11.270 -1.149 -0.852 1.00 0.00 C ATOM 663 CE LYS A 46 11.356 -0.368 0.450 1.00 0.00 C ATOM 664 NZ LYS A 46 12.571 -0.725 1.232 1.00 0.00 N ATOM 0 H LYS A 46 7.829 -3.015 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 46 10.528 -3.643 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.622 -3.135 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.341 -3.365 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.624 -1.357 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.151 -0.946 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.896 -2.039 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.664 -0.543 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.365 0.700 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.467 -0.564 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.593 -0.171 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.551 -1.739 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.420 -0.514 0.670 1.00 0.00 H new ATOM 678 N CYS A 47 8.918 -5.828 -0.804 1.00 0.00 N ATOM 679 CA CYS A 47 8.947 -7.204 -0.321 1.00 0.00 C ATOM 680 C CYS A 47 7.786 -8.009 -0.898 1.00 0.00 C ATOM 681 O CYS A 47 7.901 -9.215 -1.116 1.00 0.00 O ATOM 682 CB CYS A 47 8.891 -7.231 1.208 1.00 0.00 C ATOM 683 SG CYS A 47 7.347 -6.563 1.906 1.00 0.00 S ATOM 0 H CYS A 47 8.168 -5.259 -0.411 1.00 0.00 H new ATOM 0 HA CYS A 47 9.881 -7.659 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.016 -8.259 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.732 -6.661 1.602 1.00 0.00 H new ATOM 0 HG CYS A 47 7.338 -6.745 3.193 1.00 0.00 H new ATOM 688 N SER A 48 6.669 -7.331 -1.143 1.00 0.00 N ATOM 689 CA SER A 48 5.486 -7.983 -1.693 1.00 0.00 C ATOM 690 C SER A 48 4.905 -8.984 -0.697 1.00 0.00 C ATOM 691 O SER A 48 5.181 -10.182 -0.772 1.00 0.00 O ATOM 692 CB SER A 48 5.829 -8.692 -3.004 1.00 0.00 C ATOM 693 OG SER A 48 6.423 -7.796 -3.927 1.00 0.00 O ATOM 0 H SER A 48 6.558 -6.332 -0.970 1.00 0.00 H new ATOM 0 HA SER A 48 4.738 -7.215 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.510 -9.520 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.925 -9.119 -3.437 1.00 0.00 H new ATOM 0 HG SER A 48 6.442 -6.895 -3.542 1.00 0.00 H new ATOM 699 N HIS A 49 4.101 -8.483 0.235 1.00 0.00 N ATOM 700 CA HIS A 49 3.481 -9.332 1.246 1.00 0.00 C ATOM 701 C HIS A 49 1.959 -9.276 1.143 1.00 0.00 C ATOM 702 O HIS A 49 1.268 -10.225 1.510 1.00 0.00 O ATOM 703 CB HIS A 49 3.925 -8.904 2.645 1.00 0.00 C ATOM 704 CG HIS A 49 5.361 -9.213 2.937 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.893 -9.184 4.210 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.378 -9.563 2.115 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.174 -9.499 4.156 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.494 -9.735 2.896 1.00 0.00 N ATOM 0 H HIS A 49 3.864 -7.494 0.311 1.00 0.00 H new ATOM 0 HA HIS A 49 3.803 -10.358 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.762 -7.832 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.297 -9.401 3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.322 -9.684 1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.847 -9.554 4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.419 -10.001 2.559 1.00 0.00 H new ATOM 716 N ALA A 50 1.445 -8.158 0.643 1.00 0.00 N ATOM 717 CA ALA A 50 0.007 -7.978 0.491 1.00 0.00 C ATOM 718 C ALA A 50 -0.623 -7.476 1.785 1.00 0.00 C ATOM 719 O ALA A 50 -0.275 -7.932 2.875 1.00 0.00 O ATOM 720 CB ALA A 50 -0.644 -9.283 0.056 1.00 0.00 C ATOM 0 H ALA A 50 2.004 -7.362 0.336 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.161 -7.226 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.718 -9.135 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.222 -9.600 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.459 -10.050 0.808 1.00 0.00 H new ATOM 726 N PHE A 51 -1.552 -6.534 1.659 1.00 0.00 N ATOM 727 CA PHE A 51 -2.230 -5.968 2.820 1.00 0.00 C ATOM 728 C PHE A 51 -3.397 -5.085 2.391 1.00 0.00 C ATOM 729 O PHE A 51 -3.931 -5.233 1.290 1.00 0.00 O ATOM 730 CB PHE A 51 -1.247 -5.158 3.666 1.00 0.00 C ATOM 731 CG PHE A 51 0.188 -5.349 3.266 1.00 0.00 C ATOM 732 CD1 PHE A 51 0.678 -4.782 2.101 1.00 0.00 C ATOM 733 CD2 PHE A 51 1.048 -6.097 4.055 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.999 -4.956 1.730 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.369 -6.275 3.689 1.00 0.00 C ATOM 736 CZ PHE A 51 2.844 -5.704 2.525 1.00 0.00 C ATOM 0 H PHE A 51 -1.853 -6.146 0.765 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.621 -6.791 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.500 -4.100 3.589 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.364 -5.438 4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.021 -4.197 1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.682 -6.546 4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.369 -4.507 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.029 -6.860 4.313 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.876 -5.842 2.237 1.00 0.00 H new ATOM 746 N HIS A 52 -3.789 -4.165 3.266 1.00 0.00 N ATOM 747 CA HIS A 52 -4.893 -3.255 2.979 1.00 0.00 C ATOM 748 C HIS A 52 -4.388 -1.826 2.806 1.00 0.00 C ATOM 749 O HIS A 52 -4.177 -1.108 3.784 1.00 0.00 O ATOM 750 CB HIS A 52 -5.931 -3.310 4.101 1.00 0.00 C ATOM 751 CG HIS A 52 -6.792 -4.535 4.060 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.308 -5.130 5.193 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.227 -5.278 3.016 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.023 -6.185 4.846 1.00 0.00 C ATOM 755 NE2 HIS A 52 -7.989 -6.297 3.531 1.00 0.00 N ATOM 0 H HIS A 52 -3.358 -4.029 4.181 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.360 -3.571 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.418 -3.268 5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.567 -2.427 4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.014 -5.102 1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.546 -6.844 5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.454 -7.023 2.986 1.00 0.00 H new ATOM 763 N LEU A 53 -4.197 -1.420 1.555 1.00 0.00 N ATOM 764 CA LEU A 53 -3.717 -0.076 1.253 1.00 0.00 C ATOM 765 C LEU A 53 -4.287 0.940 2.238 1.00 0.00 C ATOM 766 O LEU A 53 -3.625 1.917 2.592 1.00 0.00 O ATOM 767 CB LEU A 53 -4.098 0.314 -0.176 1.00 0.00 C ATOM 768 CG LEU A 53 -3.228 -0.274 -1.287 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.857 -0.023 -2.648 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.823 0.311 -1.230 1.00 0.00 C ATOM 0 H LEU A 53 -4.367 -2.002 0.735 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.631 -0.076 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.130 0.010 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.068 1.401 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.158 -1.351 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.223 -0.449 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.841 -0.490 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.958 1.050 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.217 -0.119 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.874 1.393 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.371 0.078 -0.266 1.00 0.00 H new ATOM 782 N LEU A 54 -5.517 0.703 2.680 1.00 0.00 N ATOM 783 CA LEU A 54 -6.175 1.595 3.628 1.00 0.00 C ATOM 784 C LEU A 54 -5.512 1.519 5.000 1.00 0.00 C ATOM 785 O LEU A 54 -5.194 2.544 5.606 1.00 0.00 O ATOM 786 CB LEU A 54 -7.658 1.242 3.746 1.00 0.00 C ATOM 787 CG LEU A 54 -8.370 1.743 5.003 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.833 3.105 5.413 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.874 1.808 4.774 1.00 0.00 C ATOM 0 H LEU A 54 -6.079 -0.100 2.397 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.079 2.615 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.177 1.643 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.757 0.157 3.705 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.176 1.039 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.351 3.446 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.765 3.028 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.997 3.819 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.365 2.167 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.088 2.490 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.248 0.814 4.528 1.00 0.00 H new ATOM 801 N CYS A 55 -5.304 0.299 5.484 1.00 0.00 N ATOM 802 CA CYS A 55 -4.676 0.088 6.782 1.00 0.00 C ATOM 803 C CYS A 55 -3.203 0.486 6.746 1.00 0.00 C ATOM 804 O CYS A 55 -2.678 1.056 7.704 1.00 0.00 O ATOM 805 CB CYS A 55 -4.811 -1.376 7.205 1.00 0.00 C ATOM 806 SG CYS A 55 -6.501 -2.039 7.060 1.00 0.00 S ATOM 0 H CYS A 55 -5.562 -0.559 4.996 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.186 0.718 7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.141 -1.982 6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.480 -1.476 8.239 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.513 -3.283 7.439 1.00 0.00 H new ATOM 811 N LEU A 56 -2.541 0.181 5.635 1.00 0.00 N ATOM 812 CA LEU A 56 -1.129 0.506 5.473 1.00 0.00 C ATOM 813 C LEU A 56 -0.904 2.013 5.552 1.00 0.00 C ATOM 814 O LEU A 56 0.090 2.475 6.113 1.00 0.00 O ATOM 815 CB LEU A 56 -0.612 -0.029 4.137 1.00 0.00 C ATOM 816 CG LEU A 56 -0.962 -1.483 3.816 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.370 -1.892 2.477 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.471 -2.406 4.922 1.00 0.00 C ATOM 0 H LEU A 56 -2.960 -0.291 4.833 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.577 0.032 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.003 0.603 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.473 0.074 4.122 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.047 -1.570 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.630 -2.929 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.770 -1.251 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.715 -1.789 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.729 -3.436 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.611 -2.315 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.943 -2.128 5.864 1.00 0.00 H new ATOM 830 N LEU A 57 -1.835 2.774 4.986 1.00 0.00 N ATOM 831 CA LEU A 57 -1.740 4.230 4.994 1.00 0.00 C ATOM 832 C LEU A 57 -1.666 4.764 6.421 1.00 0.00 C ATOM 833 O LEU A 57 -1.041 5.792 6.678 1.00 0.00 O ATOM 834 CB LEU A 57 -2.941 4.843 4.270 1.00 0.00 C ATOM 835 CG LEU A 57 -2.867 6.346 4.000 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.618 6.683 3.200 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.115 6.817 3.269 1.00 0.00 C ATOM 0 H LEU A 57 -2.663 2.408 4.516 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.825 4.512 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.066 4.329 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.836 4.644 4.860 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.812 6.867 4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.582 7.757 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.734 6.381 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.642 6.153 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.046 7.889 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.201 6.290 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.994 6.610 3.879 1.00 0.00 H new ATOM 849 N ALA A 58 -2.307 4.058 7.346 1.00 0.00 N ATOM 850 CA ALA A 58 -2.310 4.457 8.747 1.00 0.00 C ATOM 851 C ALA A 58 -1.025 4.025 9.444 1.00 0.00 C ATOM 852 O ALA A 58 -0.324 4.845 10.038 1.00 0.00 O ATOM 853 CB ALA A 58 -3.522 3.874 9.460 1.00 0.00 C ATOM 0 H ALA A 58 -2.832 3.206 7.150 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.367 5.545 8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.511 4.180 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.433 4.237 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.491 2.786 9.400 1.00 0.00 H new ATOM 859 N MET A 59 -0.722 2.733 9.368 1.00 0.00 N ATOM 860 CA MET A 59 0.480 2.194 9.992 1.00 0.00 C ATOM 861 C MET A 59 1.728 2.895 9.467 1.00 0.00 C ATOM 862 O MET A 59 2.654 3.187 10.224 1.00 0.00 O ATOM 863 CB MET A 59 0.581 0.689 9.736 1.00 0.00 C ATOM 864 CG MET A 59 1.760 0.031 10.435 1.00 0.00 C ATOM 865 SD MET A 59 3.222 -0.070 9.383 1.00 0.00 S ATOM 866 CE MET A 59 2.526 -0.800 7.903 1.00 0.00 C ATOM 0 H MET A 59 -1.292 2.041 8.881 1.00 0.00 H new ATOM 0 HA MET A 59 0.412 2.370 11.066 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.340 0.210 10.067 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.663 0.516 8.663 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.004 0.594 11.336 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.476 -0.972 10.753 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.275 -1.426 7.419 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.662 -1.408 8.169 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.217 -0.010 7.218 1.00 0.00 H new ATOM 876 N TYR A 60 1.747 3.163 8.166 1.00 0.00 N ATOM 877 CA TYR A 60 2.882 3.829 7.539 1.00 0.00 C ATOM 878 C TYR A 60 3.307 5.055 8.341 1.00 0.00 C ATOM 879 O TYR A 60 4.432 5.538 8.210 1.00 0.00 O ATOM 880 CB TYR A 60 2.533 4.239 6.107 1.00 0.00 C ATOM 881 CG TYR A 60 2.968 5.644 5.757 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.442 6.743 6.426 1.00 0.00 C ATOM 883 CD2 TYR A 60 3.904 5.874 4.755 1.00 0.00 C ATOM 884 CE1 TYR A 60 2.835 8.028 6.109 1.00 0.00 C ATOM 885 CE2 TYR A 60 4.303 7.156 4.433 1.00 0.00 C ATOM 886 CZ TYR A 60 3.767 8.230 5.112 1.00 0.00 C ATOM 887 OH TYR A 60 4.162 9.509 4.792 1.00 0.00 O ATOM 0 H TYR A 60 0.989 2.929 7.525 1.00 0.00 H new ATOM 0 HA TYR A 60 3.715 3.126 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.000 3.540 5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.455 4.156 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.713 6.589 7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.326 5.036 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.415 8.870 6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.032 7.317 3.653 1.00 0.00 H new ATOM 0 HH TYR A 60 4.824 9.476 4.070 1.00 0.00 H new ATOM 897 N CYS A 61 2.399 5.551 9.174 1.00 0.00 N ATOM 898 CA CYS A 61 2.678 6.721 9.999 1.00 0.00 C ATOM 899 C CYS A 61 3.891 6.481 10.892 1.00 0.00 C ATOM 900 O CYS A 61 4.420 7.410 11.500 1.00 0.00 O ATOM 901 CB CYS A 61 1.459 7.068 10.857 1.00 0.00 C ATOM 902 SG CYS A 61 1.359 6.141 12.406 1.00 0.00 S ATOM 0 H CYS A 61 1.464 5.162 9.296 1.00 0.00 H new ATOM 0 HA CYS A 61 2.898 7.558 9.336 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.480 8.134 11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.555 6.883 10.277 1.00 0.00 H new ATOM 0 HG CYS A 61 0.297 6.505 13.062 1.00 0.00 H new ATOM 908 N ASN A 62 4.325 5.226 10.966 1.00 0.00 N ATOM 909 CA ASN A 62 5.475 4.863 11.786 1.00 0.00 C ATOM 910 C ASN A 62 6.742 4.782 10.941 1.00 0.00 C ATOM 911 O ASN A 62 7.683 5.548 11.139 1.00 0.00 O ATOM 912 CB ASN A 62 5.227 3.524 12.483 1.00 0.00 C ATOM 913 CG ASN A 62 4.994 3.682 13.974 1.00 0.00 C ATOM 914 OD1 ASN A 62 5.942 3.736 14.759 1.00 0.00 O ATOM 915 ND2 ASN A 62 3.729 3.757 14.370 1.00 0.00 N ATOM 0 H ASN A 62 3.898 4.445 10.468 1.00 0.00 H new ATOM 0 HA ASN A 62 5.612 5.638 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.362 3.038 12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.082 2.868 12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.510 3.864 15.360 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.976 3.708 13.684 1.00 0.00 H new ATOM 922 N GLY A 63 6.758 3.846 9.996 1.00 0.00 N ATOM 923 CA GLY A 63 7.914 3.683 9.134 1.00 0.00 C ATOM 924 C GLY A 63 7.600 3.980 7.680 1.00 0.00 C ATOM 925 O GLY A 63 6.565 4.566 7.370 1.00 0.00 O ATOM 0 H GLY A 63 5.992 3.198 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.712 4.344 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.287 2.663 9.221 1.00 0.00 H new ATOM 929 N ASN A 64 8.498 3.574 6.788 1.00 0.00 N ATOM 930 CA ASN A 64 8.313 3.801 5.360 1.00 0.00 C ATOM 931 C ASN A 64 7.599 5.127 5.108 1.00 0.00 C ATOM 932 O ASN A 64 6.659 5.198 4.317 1.00 0.00 O ATOM 933 CB ASN A 64 7.515 2.654 4.739 1.00 0.00 C ATOM 934 CG ASN A 64 8.409 1.578 4.152 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.831 0.712 3.329 1.00 0.00 O flip ATOM 936 ND2 ASN A 64 9.606 1.527 4.437 1.00 0.00 N flip ATOM 0 H ASN A 64 9.361 3.086 7.029 1.00 0.00 H new ATOM 0 HA ASN A 64 9.297 3.844 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.869 2.212 5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.865 3.048 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.008 2.214 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.195 0.798 4.035 1.00 0.00 H new ATOM 943 N LYS A 65 8.054 6.175 5.787 1.00 0.00 N ATOM 944 CA LYS A 65 7.461 7.499 5.637 1.00 0.00 C ATOM 945 C LYS A 65 8.067 8.234 4.445 1.00 0.00 C ATOM 946 O LYS A 65 8.955 9.070 4.606 1.00 0.00 O ATOM 947 CB LYS A 65 7.666 8.319 6.913 1.00 0.00 C ATOM 948 CG LYS A 65 6.368 8.743 7.578 1.00 0.00 C ATOM 949 CD LYS A 65 6.185 8.063 8.925 1.00 0.00 C ATOM 950 CE LYS A 65 7.257 8.489 9.915 1.00 0.00 C ATOM 951 NZ LYS A 65 7.613 9.928 9.763 1.00 0.00 N ATOM 0 H LYS A 65 8.831 6.133 6.446 1.00 0.00 H new ATOM 0 HA LYS A 65 6.393 7.374 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.253 7.734 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.249 9.208 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.363 9.825 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.528 8.498 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.201 8.306 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.218 6.981 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.906 8.307 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.148 7.877 9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.145 10.244 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.198 10.053 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.744 10.493 9.671 1.00 0.00 H new ATOM 965 N ASP A 66 7.579 7.916 3.251 1.00 0.00 N ATOM 966 CA ASP A 66 8.070 8.548 2.032 1.00 0.00 C ATOM 967 C ASP A 66 6.923 9.175 1.245 1.00 0.00 C ATOM 968 O ASP A 66 7.024 10.309 0.779 1.00 0.00 O ATOM 969 CB ASP A 66 8.802 7.526 1.161 1.00 0.00 C ATOM 970 CG ASP A 66 10.244 7.916 0.899 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.529 8.423 -0.207 1.00 0.00 O ATOM 972 OD2 ASP A 66 11.086 7.717 1.799 1.00 0.00 O ATOM 0 H ASP A 66 6.844 7.225 3.101 1.00 0.00 H new ATOM 0 HA ASP A 66 8.766 9.337 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.775 6.552 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.278 7.421 0.211 1.00 0.00 H new ATOM 977 N GLY A 67 5.833 8.428 1.101 1.00 0.00 N ATOM 978 CA GLY A 67 4.683 8.927 0.369 1.00 0.00 C ATOM 979 C GLY A 67 3.896 7.818 -0.300 1.00 0.00 C ATOM 980 O GLY A 67 3.496 7.943 -1.458 1.00 0.00 O ATOM 0 H GLY A 67 5.725 7.486 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.030 9.471 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.018 9.638 -0.387 1.00 0.00 H new ATOM 984 N SER A 68 3.674 6.728 0.427 1.00 0.00 N ATOM 985 CA SER A 68 2.935 5.590 -0.105 1.00 0.00 C ATOM 986 C SER A 68 2.295 4.783 1.021 1.00 0.00 C ATOM 987 O SER A 68 1.083 4.840 1.230 1.00 0.00 O ATOM 988 CB SER A 68 3.862 4.693 -0.928 1.00 0.00 C ATOM 989 OG SER A 68 5.051 5.376 -1.281 1.00 0.00 O ATOM 0 H SER A 68 3.996 6.609 1.388 1.00 0.00 H new ATOM 0 HA SER A 68 2.143 5.972 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.109 3.798 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.347 4.363 -1.830 1.00 0.00 H new ATOM 0 HG SER A 68 5.627 4.781 -1.805 1.00 0.00 H new ATOM 995 N LEU A 69 3.119 4.032 1.744 1.00 0.00 N ATOM 996 CA LEU A 69 2.636 3.212 2.849 1.00 0.00 C ATOM 997 C LEU A 69 3.768 2.388 3.451 1.00 0.00 C ATOM 998 O LEU A 69 4.930 2.549 3.081 1.00 0.00 O ATOM 999 CB LEU A 69 1.514 2.286 2.372 1.00 0.00 C ATOM 1000 CG LEU A 69 1.819 1.449 1.130 1.00 0.00 C ATOM 1001 CD1 LEU A 69 1.425 2.200 -0.132 1.00 0.00 C ATOM 1002 CD2 LEU A 69 3.293 1.071 1.090 1.00 0.00 C ATOM 0 H LEU A 69 4.125 3.974 1.585 1.00 0.00 H new ATOM 0 HA LEU A 69 2.247 3.878 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.257 1.610 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.631 2.892 2.170 1.00 0.00 H new ATOM 0 HG LEU A 69 1.230 0.533 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.650 1.588 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.357 2.418 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.985 3.133 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.492 0.475 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.900 1.976 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.544 0.491 1.978 1.00 0.00 H new ATOM 1014 N GLN A 70 3.421 1.504 4.381 1.00 0.00 N ATOM 1015 CA GLN A 70 4.409 0.653 5.035 1.00 0.00 C ATOM 1016 C GLN A 70 3.945 -0.799 5.060 1.00 0.00 C ATOM 1017 O GLN A 70 2.751 -1.082 4.956 1.00 0.00 O ATOM 1018 CB GLN A 70 4.672 1.143 6.460 1.00 0.00 C ATOM 1019 CG GLN A 70 5.603 0.238 7.251 1.00 0.00 C ATOM 1020 CD GLN A 70 6.991 0.157 6.646 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.155 -0.227 5.488 1.00 0.00 O ATOM 1022 NE2 GLN A 70 8.000 0.519 7.430 1.00 0.00 N ATOM 0 H GLN A 70 2.463 1.358 4.699 1.00 0.00 H new ATOM 0 HA GLN A 70 5.335 0.709 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.101 2.144 6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.722 1.225 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.678 0.605 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.174 -0.763 7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.818 0.831 8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.957 0.485 7.078 1.00 0.00 H new ATOM 1031 N CYS A 71 4.896 -1.717 5.199 1.00 0.00 N ATOM 1032 CA CYS A 71 4.586 -3.141 5.238 1.00 0.00 C ATOM 1033 C CYS A 71 4.376 -3.613 6.674 1.00 0.00 C ATOM 1034 O CYS A 71 5.321 -3.748 7.454 1.00 0.00 O ATOM 1035 CB CYS A 71 5.709 -3.947 4.583 1.00 0.00 C ATOM 1036 SG CYS A 71 5.333 -5.717 4.381 1.00 0.00 S ATOM 0 H CYS A 71 5.889 -1.500 5.287 1.00 0.00 H new ATOM 0 HA CYS A 71 3.662 -3.302 4.683 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.926 -3.519 3.604 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.613 -3.845 5.183 1.00 0.00 H new ATOM 0 HG CYS A 71 4.171 -5.852 3.813 1.00 0.00 H new ATOM 1041 N PRO A 72 3.110 -3.871 7.033 1.00 0.00 N ATOM 1042 CA PRO A 72 2.747 -4.332 8.377 1.00 0.00 C ATOM 1043 C PRO A 72 3.217 -5.758 8.647 1.00 0.00 C ATOM 1044 O PRO A 72 3.134 -6.246 9.773 1.00 0.00 O ATOM 1045 CB PRO A 72 1.218 -4.266 8.374 1.00 0.00 C ATOM 1046 CG PRO A 72 0.836 -4.395 6.940 1.00 0.00 C ATOM 1047 CD PRO A 72 1.936 -3.732 6.157 1.00 0.00 C ATOM 0 HA PRO A 72 3.212 -3.726 9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.786 -5.068 8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.861 -3.326 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.732 -5.442 6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.124 -3.916 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.093 -4.218 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.709 -2.686 5.952 1.00 0.00 H new ATOM 1055 N SER A 73 3.713 -6.419 7.606 1.00 0.00 N ATOM 1056 CA SER A 73 4.194 -7.791 7.731 1.00 0.00 C ATOM 1057 C SER A 73 5.614 -7.820 8.289 1.00 0.00 C ATOM 1058 O SER A 73 5.911 -8.567 9.221 1.00 0.00 O ATOM 1059 CB SER A 73 4.154 -8.493 6.372 1.00 0.00 C ATOM 1060 OG SER A 73 4.790 -9.757 6.433 1.00 0.00 O ATOM 0 H SER A 73 3.792 -6.028 6.667 1.00 0.00 H new ATOM 0 HA SER A 73 3.539 -8.318 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.119 -8.618 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.645 -7.871 5.623 1.00 0.00 H new ATOM 0 HG SER A 73 5.278 -9.918 5.599 1.00 0.00 H new ATOM 1066 N CYS A 74 6.487 -7.001 7.712 1.00 0.00 N ATOM 1067 CA CYS A 74 7.875 -6.931 8.150 1.00 0.00 C ATOM 1068 C CYS A 74 8.350 -5.483 8.225 1.00 0.00 C ATOM 1069 O CYS A 74 9.535 -5.196 8.057 1.00 0.00 O ATOM 1070 CB CYS A 74 8.772 -7.724 7.197 1.00 0.00 C ATOM 1071 SG CYS A 74 8.953 -6.972 5.548 1.00 0.00 S ATOM 0 H CYS A 74 6.257 -6.376 6.939 1.00 0.00 H new ATOM 0 HA CYS A 74 7.938 -7.367 9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.759 -7.829 7.647 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.365 -8.729 7.084 1.00 0.00 H new ATOM 0 HG CYS A 74 9.730 -7.714 4.816 1.00 0.00 H new ATOM 1076 N LYS A 75 7.416 -4.573 8.481 1.00 0.00 N ATOM 1077 CA LYS A 75 7.736 -3.154 8.581 1.00 0.00 C ATOM 1078 C LYS A 75 8.579 -2.701 7.393 1.00 0.00 C ATOM 1079 O LYS A 75 9.229 -1.656 7.441 1.00 0.00 O ATOM 1080 CB LYS A 75 8.483 -2.870 9.887 1.00 0.00 C ATOM 1081 CG LYS A 75 7.648 -3.115 11.131 1.00 0.00 C ATOM 1082 CD LYS A 75 6.751 -1.928 11.443 1.00 0.00 C ATOM 1083 CE LYS A 75 6.366 -1.892 12.914 1.00 0.00 C ATOM 1084 NZ LYS A 75 4.910 -1.644 13.100 1.00 0.00 N ATOM 0 H LYS A 75 6.430 -4.793 8.623 1.00 0.00 H new ATOM 0 HA LYS A 75 6.800 -2.595 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.375 -3.496 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.821 -1.834 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.037 -4.007 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.305 -3.309 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.264 -1.003 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.850 -1.980 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.636 -2.838 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.935 -1.112 13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.688 -1.627 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.656 -0.730 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.367 -2.402 12.640 1.00 0.00 H new ATOM 1098 N THR A 76 8.561 -3.493 6.324 1.00 0.00 N ATOM 1099 CA THR A 76 9.323 -3.173 5.124 1.00 0.00 C ATOM 1100 C THR A 76 8.960 -1.790 4.596 1.00 0.00 C ATOM 1101 O THR A 76 9.649 -0.823 4.918 1.00 0.00 O ATOM 1102 CB THR A 76 9.082 -4.213 4.014 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.231 -5.055 3.875 1.00 0.00 O ATOM 1104 CG2 THR A 76 8.785 -3.530 2.687 1.00 0.00 C ATOM 0 H THR A 76 8.027 -4.360 6.266 1.00 0.00 H new ATOM 0 HA THR A 76 10.376 -3.187 5.404 1.00 0.00 H new ATOM 0 HB THR A 76 8.220 -4.818 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.183 -5.784 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.618 -4.285 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.893 -2.912 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.631 -2.904 2.403 1.00 0.00 H new