USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 542 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 34 TYR OH : rot 180:sc= 0.908 USER MOD Set 1.2: A 36 SER OG : rot -122:sc= 1.32 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.0375 USER MOD Set 2.3: A 18 CYS SG : rot -98:sc= 0.0733 USER MOD Single : A 13 MET CE :methyl -176:sc= -0.331 (180deg=-0.365) USER MOD Single : A 14 THR OG1 : rot -31:sc= 0.609 USER MOD Single : A 20 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.19) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 160:sc= 0 USER MOD Single : A 27 THR OG1 : rot -80:sc= 1.11 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.604 K(o=0.6,f=-3.7!) USER MOD Single : A 35 CYS SG : rot 20:sc= -0.71 USER MOD Single : A 41 THR OG1 : rot -39:sc= 0.758 USER MOD Single : A 42 ASN : amide:sc= 0.725 K(o=0.72,f=-0.084) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 1.11 (180deg=-3.43!) USER MOD Single : A 45 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-6.5!) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= 0.00283 (180deg=-0.95) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 2.18 K(o=2.2,f=-16!) USER MOD Single : A 61 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -8.662 -2.189 -6.410 1.00 1.13 N ATOM 47 CA VAL A 5 -7.694 -1.102 -6.471 1.00 1.05 C ATOM 48 C VAL A 5 -7.995 -0.116 -5.343 1.00 1.02 C ATOM 49 O VAL A 5 -9.152 0.252 -5.148 1.00 1.27 O ATOM 50 CB VAL A 5 -7.693 -0.444 -7.867 1.00 1.31 C ATOM 51 CG1 VAL A 5 -9.079 0.013 -8.350 1.00 1.93 C ATOM 52 CG2 VAL A 5 -6.735 0.756 -7.909 1.00 2.48 C ATOM 0 HA VAL A 5 -6.684 -1.484 -6.325 1.00 1.05 H new ATOM 0 HB VAL A 5 -7.358 -1.229 -8.545 1.00 1.31 H new ATOM 0 HG11 VAL A 5 -8.989 0.464 -9.338 1.00 1.93 H new ATOM 0 HG12 VAL A 5 -9.748 -0.846 -8.403 1.00 1.93 H new ATOM 0 HG13 VAL A 5 -9.484 0.746 -7.652 1.00 1.93 H new ATOM 0 HG21 VAL A 5 -6.753 1.201 -8.904 1.00 2.48 H new ATOM 0 HG22 VAL A 5 -7.048 1.497 -7.174 1.00 2.48 H new ATOM 0 HG23 VAL A 5 -5.723 0.422 -7.680 1.00 2.48 H new ATOM 62 N LEU A 6 -6.973 0.316 -4.597 1.00 0.99 N ATOM 63 CA LEU A 6 -7.121 1.302 -3.550 1.00 0.94 C ATOM 64 C LEU A 6 -5.847 2.142 -3.505 1.00 0.85 C ATOM 65 O LEU A 6 -4.742 1.607 -3.607 1.00 0.81 O ATOM 66 CB LEU A 6 -7.389 0.570 -2.231 1.00 1.03 C ATOM 67 CG LEU A 6 -7.425 1.493 -1.009 1.00 1.87 C ATOM 68 CD1 LEU A 6 -8.596 2.483 -1.053 1.00 3.16 C ATOM 69 CD2 LEU A 6 -7.523 0.649 0.267 1.00 2.13 C ATOM 0 H LEU A 6 -6.016 -0.019 -4.713 1.00 0.99 H new ATOM 0 HA LEU A 6 -7.960 1.973 -3.733 1.00 0.94 H new ATOM 0 HB2 LEU A 6 -8.340 0.043 -2.305 1.00 1.03 H new ATOM 0 HB3 LEU A 6 -6.617 -0.185 -2.082 1.00 1.03 H new ATOM 0 HG LEU A 6 -6.503 2.075 -1.016 1.00 1.87 H new ATOM 0 HD11 LEU A 6 -8.574 3.113 -0.163 1.00 3.16 H new ATOM 0 HD12 LEU A 6 -8.511 3.108 -1.942 1.00 3.16 H new ATOM 0 HD13 LEU A 6 -9.536 1.933 -1.085 1.00 3.16 H new ATOM 0 HD21 LEU A 6 -7.549 1.306 1.137 1.00 2.13 H new ATOM 0 HD22 LEU A 6 -8.433 0.050 0.238 1.00 2.13 H new ATOM 0 HD23 LEU A 6 -6.657 -0.010 0.335 1.00 2.13 H new ATOM 81 N GLU A 7 -6.020 3.456 -3.347 1.00 0.91 N ATOM 82 CA GLU A 7 -4.944 4.408 -3.145 1.00 0.86 C ATOM 83 C GLU A 7 -4.940 4.872 -1.690 1.00 0.81 C ATOM 84 O GLU A 7 -5.961 5.343 -1.185 1.00 1.04 O ATOM 85 CB GLU A 7 -5.097 5.615 -4.074 1.00 0.93 C ATOM 86 CG GLU A 7 -4.893 5.270 -5.554 1.00 1.10 C ATOM 87 CD GLU A 7 -4.342 6.480 -6.291 1.00 1.75 C ATOM 88 OE1 GLU A 7 -4.835 7.607 -6.056 1.00 2.23 O ATOM 89 OE2 GLU A 7 -3.323 6.337 -7.003 1.00 2.86 O ATOM 0 H GLU A 7 -6.942 3.892 -3.358 1.00 0.91 H new ATOM 0 HA GLU A 7 -3.999 3.917 -3.378 1.00 0.86 H new ATOM 0 HB2 GLU A 7 -6.091 6.043 -3.941 1.00 0.93 H new ATOM 0 HB3 GLU A 7 -4.378 6.381 -3.784 1.00 0.93 H new ATOM 0 HG2 GLU A 7 -4.206 4.430 -5.650 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -5.839 4.961 -5.999 1.00 1.10 H new ATOM 96 N LEU A 8 -3.786 4.762 -1.032 1.00 0.75 N ATOM 97 CA LEU A 8 -3.562 5.218 0.330 1.00 0.75 C ATOM 98 C LEU A 8 -2.274 6.039 0.350 1.00 0.67 C ATOM 99 O LEU A 8 -1.251 5.603 -0.171 1.00 0.58 O ATOM 100 CB LEU A 8 -3.535 4.040 1.323 1.00 0.76 C ATOM 101 CG LEU A 8 -2.860 2.773 0.767 1.00 0.87 C ATOM 102 CD1 LEU A 8 -2.200 1.983 1.893 1.00 0.98 C ATOM 103 CD2 LEU A 8 -3.864 1.839 0.075 1.00 1.54 C ATOM 0 H LEU A 8 -2.958 4.339 -1.450 1.00 0.75 H new ATOM 0 HA LEU A 8 -4.388 5.850 0.657 1.00 0.75 H new ATOM 0 HB2 LEU A 8 -3.012 4.351 2.227 1.00 0.76 H new ATOM 0 HB3 LEU A 8 -4.557 3.798 1.613 1.00 0.76 H new ATOM 0 HG LEU A 8 -2.121 3.112 0.041 1.00 0.87 H new ATOM 0 HD11 LEU A 8 -1.728 1.090 1.483 1.00 0.98 H new ATOM 0 HD12 LEU A 8 -1.446 2.602 2.378 1.00 0.98 H new ATOM 0 HD13 LEU A 8 -2.955 1.691 2.623 1.00 0.98 H new ATOM 0 HD21 LEU A 8 -3.343 0.959 -0.301 1.00 1.54 H new ATOM 0 HD22 LEU A 8 -4.627 1.531 0.790 1.00 1.54 H new ATOM 0 HD23 LEU A 8 -4.336 2.364 -0.756 1.00 1.54 H new ATOM 115 N VAL A 9 -2.336 7.247 0.907 1.00 0.78 N ATOM 116 CA VAL A 9 -1.189 8.107 1.128 1.00 0.74 C ATOM 117 C VAL A 9 -0.468 7.630 2.383 1.00 0.53 C ATOM 118 O VAL A 9 -1.029 7.613 3.475 1.00 0.55 O ATOM 119 CB VAL A 9 -1.527 9.608 1.036 1.00 1.17 C ATOM 120 CG1 VAL A 9 -2.886 9.992 1.606 1.00 1.82 C ATOM 121 CG2 VAL A 9 -0.436 10.490 1.654 1.00 3.14 C ATOM 0 H VAL A 9 -3.213 7.660 1.224 1.00 0.78 H new ATOM 0 HA VAL A 9 -0.472 8.016 0.312 1.00 0.74 H new ATOM 0 HB VAL A 9 -1.576 9.796 -0.037 1.00 1.17 H new ATOM 0 HG11 VAL A 9 -3.036 11.066 1.497 1.00 1.82 H new ATOM 0 HG12 VAL A 9 -3.670 9.460 1.067 1.00 1.82 H new ATOM 0 HG13 VAL A 9 -2.926 9.725 2.662 1.00 1.82 H new ATOM 0 HG21 VAL A 9 -0.721 11.538 1.564 1.00 3.14 H new ATOM 0 HG22 VAL A 9 -0.316 10.236 2.707 1.00 3.14 H new ATOM 0 HG23 VAL A 9 0.506 10.324 1.131 1.00 3.14 H new ATOM 131 N VAL A 10 0.760 7.161 2.169 1.00 0.52 N ATOM 132 CA VAL A 10 1.621 6.466 3.095 1.00 0.42 C ATOM 133 C VAL A 10 2.650 7.471 3.595 1.00 0.47 C ATOM 134 O VAL A 10 3.760 7.572 3.069 1.00 0.60 O ATOM 135 CB VAL A 10 2.241 5.257 2.369 1.00 0.40 C ATOM 136 CG1 VAL A 10 1.207 4.135 2.277 1.00 0.56 C ATOM 137 CG2 VAL A 10 2.712 5.559 0.942 1.00 0.65 C ATOM 0 H VAL A 10 1.207 7.273 1.259 1.00 0.52 H new ATOM 0 HA VAL A 10 1.089 6.072 3.961 1.00 0.42 H new ATOM 0 HB VAL A 10 3.115 4.976 2.958 1.00 0.40 H new ATOM 0 HG11 VAL A 10 1.644 3.279 1.763 1.00 0.56 H new ATOM 0 HG12 VAL A 10 0.901 3.839 3.280 1.00 0.56 H new ATOM 0 HG13 VAL A 10 0.337 4.486 1.721 1.00 0.56 H new ATOM 0 HG21 VAL A 10 3.136 4.657 0.500 1.00 0.65 H new ATOM 0 HG22 VAL A 10 1.865 5.893 0.343 1.00 0.65 H new ATOM 0 HG23 VAL A 10 3.470 6.341 0.967 1.00 0.65 H new ATOM 147 N ARG A 11 2.286 8.247 4.616 1.00 0.48 N ATOM 148 CA ARG A 11 3.117 9.389 4.955 1.00 0.54 C ATOM 149 C ARG A 11 4.356 8.869 5.681 1.00 0.56 C ATOM 150 O ARG A 11 4.278 7.914 6.460 1.00 0.69 O ATOM 151 CB ARG A 11 2.325 10.484 5.692 1.00 0.74 C ATOM 152 CG ARG A 11 1.891 10.176 7.132 1.00 1.82 C ATOM 153 CD ARG A 11 2.997 10.477 8.157 1.00 3.64 C ATOM 154 NE ARG A 11 2.515 10.385 9.546 1.00 4.29 N ATOM 155 CZ ARG A 11 3.117 10.905 10.628 1.00 5.52 C ATOM 156 NH1 ARG A 11 4.230 11.638 10.499 1.00 6.56 N ATOM 157 NH2 ARG A 11 2.604 10.680 11.837 1.00 6.32 N ATOM 0 H ARG A 11 1.458 8.112 5.197 1.00 0.48 H new ATOM 0 HA ARG A 11 3.460 9.906 4.058 1.00 0.54 H new ATOM 0 HB2 ARG A 11 2.931 11.390 5.707 1.00 0.74 H new ATOM 0 HB3 ARG A 11 1.432 10.708 5.109 1.00 0.74 H new ATOM 0 HG2 ARG A 11 1.005 10.763 7.375 1.00 1.82 H new ATOM 0 HG3 ARG A 11 1.607 9.126 7.206 1.00 1.82 H new ATOM 0 HD2 ARG A 11 3.821 9.778 8.014 1.00 3.64 H new ATOM 0 HD3 ARG A 11 3.392 11.477 7.978 1.00 3.64 H new ATOM 0 HE ARG A 11 1.643 9.879 9.700 1.00 4.29 H new ATOM 0 HH11 ARG A 11 4.626 11.805 9.574 1.00 6.56 H new ATOM 0 HH12 ARG A 11 4.681 12.030 11.326 1.00 6.56 H new ATOM 0 HH21 ARG A 11 1.760 10.116 11.936 1.00 6.32 H new ATOM 0 HH22 ARG A 11 3.056 11.072 12.664 1.00 6.32 H new ATOM 171 N GLY A 12 5.506 9.462 5.346 1.00 0.58 N ATOM 172 CA GLY A 12 6.822 9.005 5.757 1.00 0.67 C ATOM 173 C GLY A 12 7.694 8.671 4.544 1.00 0.65 C ATOM 174 O GLY A 12 8.908 8.849 4.613 1.00 0.83 O ATOM 0 H GLY A 12 5.540 10.298 4.763 1.00 0.58 H new ATOM 0 HA2 GLY A 12 7.307 9.776 6.356 1.00 0.67 H new ATOM 0 HA3 GLY A 12 6.723 8.124 6.391 1.00 0.67 H new ATOM 178 N MET A 13 7.106 8.208 3.428 1.00 0.64 N ATOM 179 CA MET A 13 7.893 7.952 2.224 1.00 0.82 C ATOM 180 C MET A 13 8.629 9.220 1.789 1.00 0.81 C ATOM 181 O MET A 13 7.980 10.249 1.600 1.00 1.17 O ATOM 182 CB MET A 13 7.024 7.503 1.047 1.00 1.46 C ATOM 183 CG MET A 13 6.408 6.109 1.173 1.00 0.93 C ATOM 184 SD MET A 13 6.271 5.252 -0.423 1.00 1.59 S ATOM 185 CE MET A 13 5.385 6.472 -1.424 1.00 1.03 C ATOM 0 H MET A 13 6.109 8.009 3.340 1.00 0.64 H new ATOM 0 HA MET A 13 8.593 7.157 2.481 1.00 0.82 H new ATOM 0 HB2 MET A 13 6.219 8.226 0.917 1.00 1.46 H new ATOM 0 HB3 MET A 13 7.628 7.533 0.140 1.00 1.46 H new ATOM 0 HG2 MET A 13 7.014 5.509 1.851 1.00 0.93 H new ATOM 0 HG3 MET A 13 5.418 6.194 1.621 1.00 0.93 H new ATOM 0 HE1 MET A 13 5.170 6.050 -2.406 1.00 1.03 H new ATOM 0 HE2 MET A 13 4.450 6.737 -0.931 1.00 1.03 H new ATOM 0 HE3 MET A 13 6.000 7.364 -1.539 1.00 1.03 H new ATOM 195 N THR A 14 9.950 9.142 1.598 1.00 0.72 N ATOM 196 CA THR A 14 10.770 10.292 1.238 1.00 1.03 C ATOM 197 C THR A 14 11.866 9.982 0.208 1.00 0.97 C ATOM 198 O THR A 14 12.520 10.926 -0.237 1.00 1.33 O ATOM 199 CB THR A 14 11.342 10.934 2.515 1.00 1.45 C ATOM 200 OG1 THR A 14 12.003 12.145 2.199 1.00 2.18 O ATOM 201 CG2 THR A 14 12.307 10.009 3.263 1.00 1.93 C ATOM 0 H THR A 14 10.478 8.274 1.690 1.00 0.72 H new ATOM 0 HA THR A 14 10.120 11.006 0.733 1.00 1.03 H new ATOM 0 HB THR A 14 10.495 11.127 3.174 1.00 1.45 H new ATOM 0 HG1 THR A 14 12.384 12.084 1.298 1.00 2.18 H new ATOM 0 HG21 THR A 14 12.678 10.515 4.154 1.00 1.93 H new ATOM 0 HG22 THR A 14 11.785 9.097 3.554 1.00 1.93 H new ATOM 0 HG23 THR A 14 13.145 9.756 2.614 1.00 1.93 H new ATOM 209 N CYS A 15 12.090 8.720 -0.181 1.00 0.75 N ATOM 210 CA CYS A 15 13.112 8.370 -1.161 1.00 0.73 C ATOM 211 C CYS A 15 12.852 6.964 -1.702 1.00 0.62 C ATOM 212 O CYS A 15 12.029 6.228 -1.158 1.00 0.51 O ATOM 213 CB CYS A 15 14.514 8.498 -0.547 1.00 0.84 C ATOM 214 SG CYS A 15 14.750 7.714 1.069 1.00 1.12 S ATOM 0 H CYS A 15 11.567 7.920 0.176 1.00 0.75 H new ATOM 0 HA CYS A 15 13.063 9.066 -1.999 1.00 0.73 H new ATOM 0 HB2 CYS A 15 15.234 8.070 -1.244 1.00 0.84 H new ATOM 0 HB3 CYS A 15 14.752 9.558 -0.453 1.00 0.84 H new ATOM 0 HG CYS A 15 15.974 7.897 1.466 1.00 1.12 H new ATOM 219 N ALA A 16 13.563 6.602 -2.778 1.00 0.71 N ATOM 220 CA ALA A 16 13.446 5.323 -3.474 1.00 0.69 C ATOM 221 C ALA A 16 13.457 4.137 -2.508 1.00 0.61 C ATOM 222 O ALA A 16 12.711 3.175 -2.693 1.00 0.59 O ATOM 223 CB ALA A 16 14.577 5.194 -4.497 1.00 0.85 C ATOM 0 H ALA A 16 14.259 7.217 -3.199 1.00 0.71 H new ATOM 0 HA ALA A 16 12.484 5.304 -3.986 1.00 0.69 H new ATOM 0 HB1 ALA A 16 14.490 4.240 -5.017 1.00 0.85 H new ATOM 0 HB2 ALA A 16 14.509 6.008 -5.219 1.00 0.85 H new ATOM 0 HB3 ALA A 16 15.538 5.242 -3.985 1.00 0.85 H new ATOM 229 N SER A 17 14.291 4.221 -1.468 1.00 0.65 N ATOM 230 CA SER A 17 14.328 3.281 -0.363 1.00 0.70 C ATOM 231 C SER A 17 12.920 2.917 0.115 1.00 0.60 C ATOM 232 O SER A 17 12.582 1.741 0.249 1.00 0.73 O ATOM 233 CB SER A 17 15.175 3.897 0.751 1.00 0.83 C ATOM 234 OG SER A 17 16.390 4.351 0.186 1.00 1.43 O ATOM 0 H SER A 17 14.977 4.971 -1.376 1.00 0.65 H new ATOM 0 HA SER A 17 14.780 2.343 -0.685 1.00 0.70 H new ATOM 0 HB2 SER A 17 14.642 4.724 1.220 1.00 0.83 H new ATOM 0 HB3 SER A 17 15.371 3.161 1.531 1.00 0.83 H new ATOM 0 HG SER A 17 16.947 4.751 0.886 1.00 1.43 H new ATOM 240 N CYS A 18 12.094 3.933 0.359 1.00 0.47 N ATOM 241 CA CYS A 18 10.733 3.750 0.817 1.00 0.48 C ATOM 242 C CYS A 18 9.882 3.115 -0.276 1.00 0.45 C ATOM 243 O CYS A 18 9.131 2.179 -0.009 1.00 0.57 O ATOM 244 CB CYS A 18 10.166 5.101 1.246 1.00 0.55 C ATOM 245 SG CYS A 18 11.179 5.933 2.495 1.00 0.71 S ATOM 0 H CYS A 18 12.360 4.911 0.241 1.00 0.47 H new ATOM 0 HA CYS A 18 10.721 3.074 1.672 1.00 0.48 H new ATOM 0 HB2 CYS A 18 10.077 5.745 0.371 1.00 0.55 H new ATOM 0 HB3 CYS A 18 9.160 4.957 1.640 1.00 0.55 H new ATOM 0 HG CYS A 18 10.672 5.726 3.674 1.00 0.71 H new ATOM 250 N VAL A 19 10.013 3.625 -1.504 1.00 0.38 N ATOM 251 CA VAL A 19 9.223 3.191 -2.641 1.00 0.40 C ATOM 252 C VAL A 19 9.334 1.677 -2.748 1.00 0.40 C ATOM 253 O VAL A 19 8.352 0.941 -2.624 1.00 0.40 O ATOM 254 CB VAL A 19 9.703 3.895 -3.928 1.00 0.46 C ATOM 255 CG1 VAL A 19 8.915 3.474 -5.177 1.00 0.55 C ATOM 256 CG2 VAL A 19 9.617 5.415 -3.774 1.00 0.53 C ATOM 0 H VAL A 19 10.682 4.361 -1.731 1.00 0.38 H new ATOM 0 HA VAL A 19 8.176 3.461 -2.505 1.00 0.40 H new ATOM 0 HB VAL A 19 10.738 3.586 -4.070 1.00 0.46 H new ATOM 0 HG11 VAL A 19 9.302 4.005 -6.047 1.00 0.55 H new ATOM 0 HG12 VAL A 19 9.022 2.400 -5.330 1.00 0.55 H new ATOM 0 HG13 VAL A 19 7.861 3.718 -5.042 1.00 0.55 H new ATOM 0 HG21 VAL A 19 9.960 5.894 -4.691 1.00 0.53 H new ATOM 0 HG22 VAL A 19 8.584 5.703 -3.578 1.00 0.53 H new ATOM 0 HG23 VAL A 19 10.246 5.733 -2.942 1.00 0.53 H new ATOM 266 N HIS A 20 10.570 1.219 -2.945 1.00 0.43 N ATOM 267 CA HIS A 20 10.821 -0.176 -3.166 1.00 0.49 C ATOM 268 C HIS A 20 10.598 -1.005 -1.900 1.00 0.48 C ATOM 269 O HIS A 20 10.191 -2.159 -2.021 1.00 0.53 O ATOM 270 CB HIS A 20 12.145 -0.357 -3.909 1.00 0.58 C ATOM 271 CG HIS A 20 13.417 0.163 -3.291 1.00 0.62 C ATOM 272 ND1 HIS A 20 14.469 0.690 -4.008 1.00 0.79 N ATOM 273 CD2 HIS A 20 13.863 -0.053 -2.016 1.00 0.62 C ATOM 274 CE1 HIS A 20 15.521 0.787 -3.181 1.00 0.87 C ATOM 275 NE2 HIS A 20 15.206 0.329 -1.959 1.00 0.76 N ATOM 0 H HIS A 20 11.404 1.807 -2.953 1.00 0.43 H new ATOM 0 HA HIS A 20 10.078 -0.601 -3.841 1.00 0.49 H new ATOM 0 HB2 HIS A 20 12.279 -1.425 -4.084 1.00 0.58 H new ATOM 0 HB3 HIS A 20 12.039 0.115 -4.886 1.00 0.58 H new ATOM 0 HD2 HIS A 20 13.280 -0.449 -1.198 1.00 0.62 H new ATOM 0 HE1 HIS A 20 16.488 1.179 -3.460 1.00 0.87 H new ATOM 0 HE2 HIS A 20 15.824 0.271 -1.150 1.00 0.76 H new ATOM 283 N LYS A 21 10.784 -0.436 -0.696 1.00 0.47 N ATOM 284 CA LYS A 21 10.341 -1.095 0.531 1.00 0.53 C ATOM 285 C LYS A 21 8.865 -1.468 0.407 1.00 0.46 C ATOM 286 O LYS A 21 8.533 -2.647 0.545 1.00 0.52 O ATOM 287 CB LYS A 21 10.559 -0.227 1.783 1.00 0.69 C ATOM 288 CG LYS A 21 11.920 -0.456 2.452 1.00 0.95 C ATOM 289 CD LYS A 21 12.246 0.626 3.499 1.00 1.88 C ATOM 290 CE LYS A 21 11.122 0.958 4.500 1.00 2.84 C ATOM 291 NZ LYS A 21 10.710 -0.186 5.338 1.00 3.58 N ATOM 0 H LYS A 21 11.233 0.468 -0.554 1.00 0.47 H new ATOM 0 HA LYS A 21 10.948 -1.992 0.656 1.00 0.53 H new ATOM 0 HB2 LYS A 21 10.470 0.824 1.508 1.00 0.69 H new ATOM 0 HB3 LYS A 21 9.768 -0.436 2.503 1.00 0.69 H new ATOM 0 HG2 LYS A 21 11.927 -1.435 2.931 1.00 0.95 H new ATOM 0 HG3 LYS A 21 12.699 -0.468 1.690 1.00 0.95 H new ATOM 0 HD2 LYS A 21 13.124 0.307 4.061 1.00 1.88 H new ATOM 0 HD3 LYS A 21 12.520 1.541 2.974 1.00 1.88 H new ATOM 0 HE2 LYS A 21 11.454 1.769 5.148 1.00 2.84 H new ATOM 0 HE3 LYS A 21 10.255 1.324 3.950 1.00 2.84 H new ATOM 0 HZ1 LYS A 21 10.026 0.136 6.052 1.00 3.58 H new ATOM 0 HZ2 LYS A 21 10.269 -0.914 4.740 1.00 3.58 H new ATOM 0 HZ3 LYS A 21 11.544 -0.587 5.813 1.00 3.58 H new ATOM 305 N ILE A 22 7.979 -0.489 0.177 1.00 0.40 N ATOM 306 CA ILE A 22 6.557 -0.802 0.109 1.00 0.37 C ATOM 307 C ILE A 22 6.305 -1.803 -1.005 1.00 0.36 C ATOM 308 O ILE A 22 5.783 -2.883 -0.736 1.00 0.41 O ATOM 309 CB ILE A 22 5.656 0.434 -0.033 1.00 0.45 C ATOM 310 CG1 ILE A 22 5.994 1.433 1.075 1.00 0.48 C ATOM 311 CG2 ILE A 22 4.185 -0.009 0.051 1.00 0.69 C ATOM 312 CD1 ILE A 22 4.944 2.525 1.252 1.00 0.77 C ATOM 0 H ILE A 22 8.217 0.493 0.040 1.00 0.40 H new ATOM 0 HA ILE A 22 6.283 -1.245 1.067 1.00 0.37 H new ATOM 0 HB ILE A 22 5.820 0.919 -0.995 1.00 0.45 H new ATOM 0 HG12 ILE A 22 6.109 0.895 2.016 1.00 0.48 H new ATOM 0 HG13 ILE A 22 6.955 1.897 0.854 1.00 0.48 H new ATOM 0 HG21 ILE A 22 3.537 0.861 -0.049 1.00 0.69 H new ATOM 0 HG22 ILE A 22 3.971 -0.715 -0.752 1.00 0.69 H new ATOM 0 HG23 ILE A 22 4.004 -0.488 1.013 1.00 0.69 H new ATOM 0 HD11 ILE A 22 5.249 3.197 2.054 1.00 0.77 H new ATOM 0 HD12 ILE A 22 4.845 3.089 0.324 1.00 0.77 H new ATOM 0 HD13 ILE A 22 3.986 2.071 1.504 1.00 0.77 H new ATOM 324 N GLU A 23 6.672 -1.452 -2.239 1.00 0.36 N ATOM 325 CA GLU A 23 6.359 -2.282 -3.390 1.00 0.40 C ATOM 326 C GLU A 23 6.842 -3.709 -3.147 1.00 0.41 C ATOM 327 O GLU A 23 6.024 -4.623 -3.051 1.00 0.44 O ATOM 328 CB GLU A 23 6.952 -1.670 -4.663 1.00 0.56 C ATOM 329 CG GLU A 23 6.259 -0.335 -4.964 1.00 1.14 C ATOM 330 CD GLU A 23 6.876 0.413 -6.137 1.00 1.41 C ATOM 331 OE1 GLU A 23 7.984 0.022 -6.561 1.00 2.22 O ATOM 332 OE2 GLU A 23 6.215 1.378 -6.577 1.00 2.52 O ATOM 0 H GLU A 23 7.185 -0.599 -2.461 1.00 0.36 H new ATOM 0 HA GLU A 23 5.279 -2.324 -3.531 1.00 0.40 H new ATOM 0 HB2 GLU A 23 8.024 -1.515 -4.539 1.00 0.56 H new ATOM 0 HB3 GLU A 23 6.824 -2.355 -5.501 1.00 0.56 H new ATOM 0 HG2 GLU A 23 5.205 -0.520 -5.174 1.00 1.14 H new ATOM 0 HG3 GLU A 23 6.301 0.297 -4.077 1.00 1.14 H new ATOM 339 N SER A 24 8.157 -3.880 -2.980 1.00 0.46 N ATOM 340 CA SER A 24 8.769 -5.188 -2.818 1.00 0.54 C ATOM 341 C SER A 24 8.121 -5.940 -1.656 1.00 0.55 C ATOM 342 O SER A 24 7.685 -7.081 -1.815 1.00 0.65 O ATOM 343 CB SER A 24 10.285 -5.041 -2.623 1.00 0.65 C ATOM 344 OG SER A 24 10.923 -6.300 -2.699 1.00 1.46 O ATOM 0 H SER A 24 8.823 -3.108 -2.954 1.00 0.46 H new ATOM 0 HA SER A 24 8.603 -5.775 -3.722 1.00 0.54 H new ATOM 0 HB2 SER A 24 10.692 -4.375 -3.384 1.00 0.65 H new ATOM 0 HB3 SER A 24 10.489 -4.582 -1.656 1.00 0.65 H new ATOM 0 HG SER A 24 11.888 -6.186 -2.574 1.00 1.46 H new ATOM 350 N SER A 25 8.052 -5.304 -0.478 1.00 0.53 N ATOM 351 CA SER A 25 7.632 -6.010 0.721 1.00 0.68 C ATOM 352 C SER A 25 6.151 -6.368 0.663 1.00 0.64 C ATOM 353 O SER A 25 5.751 -7.402 1.193 1.00 0.76 O ATOM 354 CB SER A 25 7.994 -5.208 1.971 1.00 0.88 C ATOM 355 OG SER A 25 7.983 -6.051 3.110 1.00 1.28 O ATOM 0 H SER A 25 8.279 -4.319 -0.339 1.00 0.53 H new ATOM 0 HA SER A 25 8.174 -6.954 0.776 1.00 0.68 H new ATOM 0 HB2 SER A 25 8.980 -4.758 1.851 1.00 0.88 H new ATOM 0 HB3 SER A 25 7.285 -4.391 2.107 1.00 0.88 H new ATOM 0 HG SER A 25 8.509 -5.639 3.827 1.00 1.28 H new ATOM 361 N LEU A 26 5.323 -5.547 0.014 1.00 0.57 N ATOM 362 CA LEU A 26 3.938 -5.927 -0.196 1.00 0.66 C ATOM 363 C LEU A 26 3.827 -7.070 -1.208 1.00 0.65 C ATOM 364 O LEU A 26 3.094 -8.028 -0.948 1.00 0.75 O ATOM 365 CB LEU A 26 3.071 -4.737 -0.611 1.00 0.70 C ATOM 366 CG LEU A 26 2.862 -3.657 0.464 1.00 0.87 C ATOM 367 CD1 LEU A 26 1.922 -2.586 -0.096 1.00 1.84 C ATOM 368 CD2 LEU A 26 2.258 -4.182 1.771 1.00 1.62 C ATOM 0 H LEU A 26 5.585 -4.637 -0.365 1.00 0.57 H new ATOM 0 HA LEU A 26 3.556 -6.283 0.761 1.00 0.66 H new ATOM 0 HB2 LEU A 26 3.522 -4.270 -1.486 1.00 0.70 H new ATOM 0 HB3 LEU A 26 2.095 -5.112 -0.918 1.00 0.70 H new ATOM 0 HG LEU A 26 3.851 -3.266 0.704 1.00 0.87 H new ATOM 0 HD11 LEU A 26 1.764 -1.812 0.655 1.00 1.84 H new ATOM 0 HD12 LEU A 26 2.366 -2.142 -0.987 1.00 1.84 H new ATOM 0 HD13 LEU A 26 0.966 -3.041 -0.356 1.00 1.84 H new ATOM 0 HD21 LEU A 26 2.143 -3.358 2.475 1.00 1.62 H new ATOM 0 HD22 LEU A 26 1.283 -4.625 1.569 1.00 1.62 H new ATOM 0 HD23 LEU A 26 2.918 -4.936 2.199 1.00 1.62 H new ATOM 380 N THR A 27 4.523 -6.983 -2.352 1.00 0.58 N ATOM 381 CA THR A 27 4.444 -7.975 -3.423 1.00 0.66 C ATOM 382 C THR A 27 5.032 -9.318 -2.978 1.00 0.91 C ATOM 383 O THR A 27 6.150 -9.670 -3.339 1.00 1.69 O ATOM 384 CB THR A 27 5.143 -7.458 -4.689 1.00 0.83 C ATOM 385 OG1 THR A 27 6.446 -7.005 -4.387 1.00 1.66 O ATOM 386 CG2 THR A 27 4.347 -6.319 -5.334 1.00 1.26 C ATOM 0 H THR A 27 5.161 -6.214 -2.557 1.00 0.58 H new ATOM 0 HA THR A 27 3.392 -8.138 -3.657 1.00 0.66 H new ATOM 0 HB THR A 27 5.202 -8.288 -5.393 1.00 0.83 H new ATOM 0 HG1 THR A 27 6.399 -6.102 -4.008 1.00 1.66 H new ATOM 0 HG21 THR A 27 4.866 -5.973 -6.228 1.00 1.26 H new ATOM 0 HG22 THR A 27 3.354 -6.678 -5.606 1.00 1.26 H new ATOM 0 HG23 THR A 27 4.253 -5.495 -4.627 1.00 1.26 H new ATOM 394 N LYS A 28 4.235 -10.051 -2.205 1.00 1.02 N ATOM 395 CA LYS A 28 4.503 -11.341 -1.588 1.00 1.17 C ATOM 396 C LYS A 28 3.322 -11.711 -0.688 1.00 0.86 C ATOM 397 O LYS A 28 2.957 -12.882 -0.616 1.00 0.95 O ATOM 398 CB LYS A 28 5.837 -11.375 -0.816 1.00 1.58 C ATOM 399 CG LYS A 28 5.938 -10.340 0.314 1.00 1.72 C ATOM 400 CD LYS A 28 5.711 -10.977 1.693 1.00 2.44 C ATOM 401 CE LYS A 28 5.696 -9.889 2.778 1.00 3.08 C ATOM 402 NZ LYS A 28 5.588 -10.448 4.139 1.00 4.21 N ATOM 0 H LYS A 28 3.297 -9.723 -1.975 1.00 1.02 H new ATOM 0 HA LYS A 28 4.611 -12.083 -2.380 1.00 1.17 H new ATOM 0 HB2 LYS A 28 5.974 -12.371 -0.395 1.00 1.58 H new ATOM 0 HB3 LYS A 28 6.654 -11.210 -1.518 1.00 1.58 H new ATOM 0 HG2 LYS A 28 6.921 -9.869 0.289 1.00 1.72 H new ATOM 0 HG3 LYS A 28 5.202 -9.552 0.152 1.00 1.72 H new ATOM 0 HD2 LYS A 28 4.767 -11.522 1.700 1.00 2.44 H new ATOM 0 HD3 LYS A 28 6.499 -11.701 1.903 1.00 2.44 H new ATOM 0 HE2 LYS A 28 6.607 -9.295 2.704 1.00 3.08 H new ATOM 0 HE3 LYS A 28 4.859 -9.214 2.599 1.00 3.08 H new ATOM 0 HZ1 LYS A 28 5.582 -9.673 4.833 1.00 4.21 H new ATOM 0 HZ2 LYS A 28 4.706 -10.993 4.221 1.00 4.21 H new ATOM 0 HZ3 LYS A 28 6.399 -11.072 4.323 1.00 4.21 H new ATOM 416 N HIS A 29 2.711 -10.735 0.004 1.00 0.76 N ATOM 417 CA HIS A 29 1.519 -11.025 0.779 1.00 0.91 C ATOM 418 C HIS A 29 0.376 -11.357 -0.181 1.00 0.93 C ATOM 419 O HIS A 29 -0.083 -10.504 -0.946 1.00 1.39 O ATOM 420 CB HIS A 29 1.198 -9.909 1.794 1.00 1.32 C ATOM 421 CG HIS A 29 0.258 -8.810 1.361 1.00 0.69 C ATOM 422 ND1 HIS A 29 -1.114 -8.916 1.270 1.00 1.32 N ATOM 423 CD2 HIS A 29 0.579 -7.488 1.223 1.00 0.83 C ATOM 424 CE1 HIS A 29 -1.599 -7.680 1.057 1.00 2.04 C ATOM 425 NE2 HIS A 29 -0.607 -6.775 1.026 1.00 1.76 N ATOM 0 H HIS A 29 3.022 -9.764 0.036 1.00 0.76 H new ATOM 0 HA HIS A 29 1.686 -11.902 1.405 1.00 0.91 H new ATOM 0 HB2 HIS A 29 0.778 -10.377 2.684 1.00 1.32 H new ATOM 0 HB3 HIS A 29 2.139 -9.446 2.091 1.00 1.32 H new ATOM 0 HD1 HIS A 29 -1.660 -9.774 1.350 1.00 1.32 H new ATOM 0 HD2 HIS A 29 1.574 -7.069 1.260 1.00 0.83 H new ATOM 0 HE1 HIS A 29 -2.646 -7.446 0.928 1.00 2.04 H new ATOM 433 N ARG A 30 -0.098 -12.605 -0.145 1.00 0.94 N ATOM 434 CA ARG A 30 -1.355 -12.922 -0.794 1.00 1.32 C ATOM 435 C ARG A 30 -2.443 -12.024 -0.209 1.00 1.92 C ATOM 436 O ARG A 30 -2.299 -11.478 0.888 1.00 3.27 O ATOM 437 CB ARG A 30 -1.681 -14.420 -0.692 1.00 1.36 C ATOM 438 CG ARG A 30 -0.816 -15.254 -1.652 1.00 1.98 C ATOM 439 CD ARG A 30 -1.461 -15.446 -3.037 1.00 3.09 C ATOM 440 NE ARG A 30 -1.744 -14.163 -3.712 1.00 4.71 N ATOM 441 CZ ARG A 30 -2.955 -13.652 -3.997 1.00 6.11 C ATOM 442 NH1 ARG A 30 -4.049 -14.414 -3.930 1.00 6.12 N ATOM 443 NH2 ARG A 30 -3.066 -12.362 -4.308 1.00 7.88 N ATOM 0 H ARG A 30 0.362 -13.389 0.317 1.00 0.94 H new ATOM 0 HA ARG A 30 -1.286 -12.721 -1.863 1.00 1.32 H new ATOM 0 HB2 ARG A 30 -1.520 -14.759 0.331 1.00 1.36 H new ATOM 0 HB3 ARG A 30 -2.735 -14.580 -0.919 1.00 1.36 H new ATOM 0 HG2 ARG A 30 0.152 -14.768 -1.773 1.00 1.98 H new ATOM 0 HG3 ARG A 30 -0.629 -16.231 -1.207 1.00 1.98 H new ATOM 0 HD2 ARG A 30 -0.799 -16.044 -3.663 1.00 3.09 H new ATOM 0 HD3 ARG A 30 -2.389 -16.008 -2.927 1.00 3.09 H new ATOM 0 HE ARG A 30 -0.936 -13.606 -3.991 1.00 4.71 H new ATOM 0 HH11 ARG A 30 -3.972 -15.395 -3.660 1.00 6.12 H new ATOM 0 HH12 ARG A 30 -4.962 -14.016 -4.148 1.00 6.12 H new ATOM 0 HH21 ARG A 30 -2.236 -11.769 -4.329 1.00 7.88 H new ATOM 0 HH22 ARG A 30 -3.981 -11.967 -4.525 1.00 7.88 H new ATOM 457 N GLY A 31 -3.469 -11.766 -1.012 1.00 1.42 N ATOM 458 CA GLY A 31 -4.243 -10.554 -0.883 1.00 1.73 C ATOM 459 C GLY A 31 -3.789 -9.575 -1.949 1.00 1.16 C ATOM 460 O GLY A 31 -4.599 -9.196 -2.782 1.00 0.92 O ATOM 0 H GLY A 31 -3.779 -12.387 -1.759 1.00 1.42 H new ATOM 0 HA2 GLY A 31 -5.306 -10.770 -0.995 1.00 1.73 H new ATOM 0 HA3 GLY A 31 -4.108 -10.123 0.109 1.00 1.73 H new ATOM 464 N ILE A 32 -2.513 -9.163 -1.968 1.00 1.08 N ATOM 465 CA ILE A 32 -2.082 -8.236 -2.990 1.00 0.81 C ATOM 466 C ILE A 32 -1.878 -9.006 -4.285 1.00 1.00 C ATOM 467 O ILE A 32 -1.502 -10.183 -4.271 1.00 1.46 O ATOM 468 CB ILE A 32 -0.834 -7.434 -2.558 1.00 0.66 C ATOM 469 CG1 ILE A 32 -1.174 -5.952 -2.757 1.00 0.65 C ATOM 470 CG2 ILE A 32 0.432 -7.817 -3.334 1.00 0.97 C ATOM 471 CD1 ILE A 32 -0.068 -4.986 -2.349 1.00 1.71 C ATOM 0 H ILE A 32 -1.793 -9.452 -1.306 1.00 1.08 H new ATOM 0 HA ILE A 32 -2.853 -7.483 -3.152 1.00 0.81 H new ATOM 0 HB ILE A 32 -0.602 -7.659 -1.517 1.00 0.66 H new ATOM 0 HG12 ILE A 32 -1.414 -5.786 -3.807 1.00 0.65 H new ATOM 0 HG13 ILE A 32 -2.071 -5.719 -2.184 1.00 0.65 H new ATOM 0 HG21 ILE A 32 1.271 -7.217 -2.981 1.00 0.97 H new ATOM 0 HG22 ILE A 32 0.650 -8.873 -3.176 1.00 0.97 H new ATOM 0 HG23 ILE A 32 0.276 -7.634 -4.397 1.00 0.97 H new ATOM 0 HD11 ILE A 32 -0.397 -3.962 -2.524 1.00 1.71 H new ATOM 0 HD12 ILE A 32 0.159 -5.118 -1.291 1.00 1.71 H new ATOM 0 HD13 ILE A 32 0.826 -5.186 -2.939 1.00 1.71 H new ATOM 483 N LEU A 33 -2.107 -8.317 -5.400 1.00 0.90 N ATOM 484 CA LEU A 33 -1.742 -8.788 -6.720 1.00 1.13 C ATOM 485 C LEU A 33 -0.797 -7.799 -7.416 1.00 1.00 C ATOM 486 O LEU A 33 -0.011 -8.215 -8.263 1.00 1.04 O ATOM 487 CB LEU A 33 -3.010 -9.170 -7.492 1.00 1.39 C ATOM 488 CG LEU A 33 -3.771 -7.993 -8.124 1.00 1.30 C ATOM 489 CD1 LEU A 33 -3.415 -7.834 -9.605 1.00 2.41 C ATOM 490 CD2 LEU A 33 -5.277 -8.222 -7.968 1.00 1.88 C ATOM 0 H LEU A 33 -2.559 -7.402 -5.405 1.00 0.90 H new ATOM 0 HA LEU A 33 -1.153 -9.703 -6.662 1.00 1.13 H new ATOM 0 HB2 LEU A 33 -2.738 -9.872 -8.281 1.00 1.39 H new ATOM 0 HB3 LEU A 33 -3.684 -9.696 -6.815 1.00 1.39 H new ATOM 0 HG LEU A 33 -3.482 -7.076 -7.611 1.00 1.30 H new ATOM 0 HD11 LEU A 33 -3.969 -6.994 -10.024 1.00 2.41 H new ATOM 0 HD12 LEU A 33 -2.345 -7.649 -9.704 1.00 2.41 H new ATOM 0 HD13 LEU A 33 -3.677 -8.746 -10.142 1.00 2.41 H new ATOM 0 HD21 LEU A 33 -5.820 -7.389 -8.415 1.00 1.88 H new ATOM 0 HD22 LEU A 33 -5.558 -9.149 -8.468 1.00 1.88 H new ATOM 0 HD23 LEU A 33 -5.527 -8.291 -6.909 1.00 1.88 H new ATOM 502 N TYR A 34 -0.818 -6.505 -7.056 1.00 0.92 N ATOM 503 CA TYR A 34 0.146 -5.537 -7.559 1.00 0.89 C ATOM 504 C TYR A 34 0.247 -4.385 -6.555 1.00 0.83 C ATOM 505 O TYR A 34 -0.697 -4.138 -5.803 1.00 1.05 O ATOM 506 CB TYR A 34 -0.299 -5.098 -8.966 1.00 0.98 C ATOM 507 CG TYR A 34 0.191 -3.750 -9.466 1.00 0.96 C ATOM 508 CD1 TYR A 34 -0.358 -2.565 -8.938 1.00 2.21 C ATOM 509 CD2 TYR A 34 1.097 -3.674 -10.540 1.00 1.60 C ATOM 510 CE1 TYR A 34 0.028 -1.316 -9.445 1.00 2.66 C ATOM 511 CE2 TYR A 34 1.441 -2.424 -11.083 1.00 1.82 C ATOM 512 CZ TYR A 34 0.927 -1.244 -10.521 1.00 1.95 C ATOM 513 OH TYR A 34 1.254 -0.037 -11.055 1.00 2.59 O ATOM 0 H TYR A 34 -1.503 -6.111 -6.411 1.00 0.92 H new ATOM 0 HA TYR A 34 1.147 -5.958 -7.658 1.00 0.89 H new ATOM 0 HB2 TYR A 34 0.027 -5.859 -9.675 1.00 0.98 H new ATOM 0 HB3 TYR A 34 -1.389 -5.089 -8.987 1.00 0.98 H new ATOM 0 HD1 TYR A 34 -1.081 -2.619 -8.137 1.00 2.21 H new ATOM 0 HD2 TYR A 34 1.528 -4.577 -10.947 1.00 1.60 H new ATOM 0 HE1 TYR A 34 -0.366 -0.410 -9.008 1.00 2.66 H new ATOM 0 HE2 TYR A 34 2.103 -2.371 -11.935 1.00 1.82 H new ATOM 0 HH TYR A 34 1.888 -0.166 -11.791 1.00 2.59 H new ATOM 523 N CYS A 35 1.364 -3.651 -6.580 1.00 0.65 N ATOM 524 CA CYS A 35 1.503 -2.359 -5.922 1.00 0.56 C ATOM 525 C CYS A 35 2.294 -1.442 -6.850 1.00 0.71 C ATOM 526 O CYS A 35 3.132 -1.936 -7.604 1.00 1.01 O ATOM 527 CB CYS A 35 2.255 -2.506 -4.596 1.00 0.59 C ATOM 528 SG CYS A 35 2.270 -0.907 -3.762 1.00 2.14 S ATOM 0 H CYS A 35 2.209 -3.948 -7.068 1.00 0.65 H new ATOM 0 HA CYS A 35 0.516 -1.947 -5.712 1.00 0.56 H new ATOM 0 HB2 CYS A 35 1.772 -3.255 -3.969 1.00 0.59 H new ATOM 0 HB3 CYS A 35 3.274 -2.849 -4.775 1.00 0.59 H new ATOM 0 HG CYS A 35 1.316 -0.162 -4.236 1.00 2.14 H new ATOM 534 N SER A 36 2.046 -0.134 -6.799 1.00 0.68 N ATOM 535 CA SER A 36 3.018 0.866 -7.214 1.00 0.89 C ATOM 536 C SER A 36 2.866 2.059 -6.279 1.00 0.71 C ATOM 537 O SER A 36 1.726 2.431 -5.994 1.00 0.78 O ATOM 538 CB SER A 36 2.772 1.280 -8.666 1.00 1.24 C ATOM 539 OG SER A 36 1.398 1.578 -8.870 1.00 2.12 O ATOM 0 H SER A 36 1.164 0.258 -6.468 1.00 0.68 H new ATOM 0 HA SER A 36 4.031 0.466 -7.159 1.00 0.89 H new ATOM 0 HB2 SER A 36 3.380 2.151 -8.910 1.00 1.24 H new ATOM 0 HB3 SER A 36 3.080 0.478 -9.337 1.00 1.24 H new ATOM 0 HG SER A 36 1.042 1.008 -9.583 1.00 2.12 H new ATOM 545 N VAL A 37 3.958 2.659 -5.803 1.00 0.69 N ATOM 546 CA VAL A 37 3.913 3.817 -4.921 1.00 0.58 C ATOM 547 C VAL A 37 4.738 4.965 -5.512 1.00 0.64 C ATOM 548 O VAL A 37 5.638 4.741 -6.316 1.00 0.83 O ATOM 549 CB VAL A 37 4.332 3.392 -3.500 1.00 0.59 C ATOM 550 CG1 VAL A 37 3.732 2.044 -3.086 1.00 1.64 C ATOM 551 CG2 VAL A 37 5.837 3.223 -3.368 1.00 1.71 C ATOM 0 H VAL A 37 4.905 2.349 -6.023 1.00 0.69 H new ATOM 0 HA VAL A 37 2.898 4.205 -4.837 1.00 0.58 H new ATOM 0 HB VAL A 37 3.964 4.197 -2.864 1.00 0.59 H new ATOM 0 HG11 VAL A 37 4.060 1.794 -2.077 1.00 1.64 H new ATOM 0 HG12 VAL A 37 2.644 2.108 -3.108 1.00 1.64 H new ATOM 0 HG13 VAL A 37 4.064 1.270 -3.778 1.00 1.64 H new ATOM 0 HG21 VAL A 37 6.081 2.923 -2.349 1.00 1.71 H new ATOM 0 HG22 VAL A 37 6.180 2.457 -4.064 1.00 1.71 H new ATOM 0 HG23 VAL A 37 6.331 4.168 -3.597 1.00 1.71 H new ATOM 561 N ALA A 38 4.403 6.209 -5.154 1.00 0.67 N ATOM 562 CA ALA A 38 5.032 7.409 -5.690 1.00 0.70 C ATOM 563 C ALA A 38 5.214 8.464 -4.605 1.00 0.72 C ATOM 564 O ALA A 38 4.304 8.728 -3.820 1.00 0.72 O ATOM 565 CB ALA A 38 4.191 7.991 -6.825 1.00 0.68 C ATOM 0 H ALA A 38 3.673 6.408 -4.470 1.00 0.67 H new ATOM 0 HA ALA A 38 6.012 7.125 -6.073 1.00 0.70 H new ATOM 0 HB1 ALA A 38 4.675 8.887 -7.214 1.00 0.68 H new ATOM 0 HB2 ALA A 38 4.096 7.254 -7.623 1.00 0.68 H new ATOM 0 HB3 ALA A 38 3.201 8.248 -6.449 1.00 0.68 H new ATOM 571 N LEU A 39 6.384 9.106 -4.615 1.00 0.78 N ATOM 572 CA LEU A 39 6.764 10.151 -3.674 1.00 0.85 C ATOM 573 C LEU A 39 5.932 11.414 -3.904 1.00 0.74 C ATOM 574 O LEU A 39 5.598 12.104 -2.946 1.00 0.74 O ATOM 575 CB LEU A 39 8.261 10.468 -3.813 1.00 1.18 C ATOM 576 CG LEU A 39 9.190 9.264 -3.571 1.00 1.18 C ATOM 577 CD1 LEU A 39 10.642 9.688 -3.811 1.00 2.31 C ATOM 578 CD2 LEU A 39 9.057 8.717 -2.146 1.00 2.22 C ATOM 0 H LEU A 39 7.112 8.904 -5.300 1.00 0.78 H new ATOM 0 HA LEU A 39 6.571 9.792 -2.663 1.00 0.85 H new ATOM 0 HB2 LEU A 39 8.446 10.859 -4.813 1.00 1.18 H new ATOM 0 HB3 LEU A 39 8.520 11.259 -3.109 1.00 1.18 H new ATOM 0 HG LEU A 39 8.900 8.475 -4.264 1.00 1.18 H new ATOM 0 HD11 LEU A 39 11.302 8.838 -3.640 1.00 2.31 H new ATOM 0 HD12 LEU A 39 10.755 10.035 -4.838 1.00 2.31 H new ATOM 0 HD13 LEU A 39 10.904 10.494 -3.125 1.00 2.31 H new ATOM 0 HD21 LEU A 39 9.729 7.869 -2.018 1.00 2.22 H new ATOM 0 HD22 LEU A 39 9.317 9.497 -1.431 1.00 2.22 H new ATOM 0 HD23 LEU A 39 8.030 8.395 -1.974 1.00 2.22 H new ATOM 590 N ALA A 40 5.587 11.696 -5.168 1.00 0.77 N ATOM 591 CA ALA A 40 4.897 12.905 -5.620 1.00 0.88 C ATOM 592 C ALA A 40 3.779 13.369 -4.678 1.00 0.76 C ATOM 593 O ALA A 40 3.643 14.562 -4.425 1.00 0.90 O ATOM 594 CB ALA A 40 4.344 12.670 -7.029 1.00 1.09 C ATOM 0 H ALA A 40 5.792 11.056 -5.936 1.00 0.77 H new ATOM 0 HA ALA A 40 5.632 13.710 -5.624 1.00 0.88 H new ATOM 0 HB1 ALA A 40 3.829 13.567 -7.372 1.00 1.09 H new ATOM 0 HB2 ALA A 40 5.165 12.441 -7.709 1.00 1.09 H new ATOM 0 HB3 ALA A 40 3.644 11.834 -7.011 1.00 1.09 H new ATOM 600 N THR A 41 2.980 12.428 -4.172 1.00 0.67 N ATOM 601 CA THR A 41 2.007 12.692 -3.114 1.00 0.86 C ATOM 602 C THR A 41 2.008 11.555 -2.102 1.00 0.64 C ATOM 603 O THR A 41 0.969 11.188 -1.554 1.00 0.78 O ATOM 604 CB THR A 41 0.646 13.016 -3.726 1.00 1.42 C ATOM 605 OG1 THR A 41 -0.326 13.262 -2.731 1.00 2.73 O ATOM 606 CG2 THR A 41 0.132 11.946 -4.679 1.00 1.53 C ATOM 0 H THR A 41 2.991 11.458 -4.487 1.00 0.67 H new ATOM 0 HA THR A 41 2.286 13.578 -2.544 1.00 0.86 H new ATOM 0 HB THR A 41 0.810 13.921 -4.311 1.00 1.42 H new ATOM 0 HG1 THR A 41 -0.196 12.639 -1.986 1.00 2.73 H new ATOM 0 HG21 THR A 41 -0.839 12.246 -5.074 1.00 1.53 H new ATOM 0 HG22 THR A 41 0.836 11.823 -5.502 1.00 1.53 H new ATOM 0 HG23 THR A 41 0.030 11.001 -4.145 1.00 1.53 H new ATOM 614 N ASN A 42 3.212 11.024 -1.884 1.00 0.63 N ATOM 615 CA ASN A 42 3.557 9.978 -0.928 1.00 0.68 C ATOM 616 C ASN A 42 2.489 8.882 -0.945 1.00 0.72 C ATOM 617 O ASN A 42 1.997 8.478 0.103 1.00 0.87 O ATOM 618 CB ASN A 42 3.750 10.576 0.480 1.00 0.74 C ATOM 619 CG ASN A 42 4.576 11.861 0.482 1.00 0.87 C ATOM 620 OD1 ASN A 42 4.031 12.941 0.276 1.00 1.82 O ATOM 621 ND2 ASN A 42 5.881 11.794 0.727 1.00 1.40 N ATOM 0 H ASN A 42 4.028 11.338 -2.410 1.00 0.63 H new ATOM 0 HA ASN A 42 4.504 9.523 -1.217 1.00 0.68 H new ATOM 0 HB2 ASN A 42 2.773 10.780 0.918 1.00 0.74 H new ATOM 0 HB3 ASN A 42 4.237 9.838 1.117 1.00 0.74 H new ATOM 0 HD21 ASN A 42 6.441 12.646 0.745 1.00 1.40 H new ATOM 0 HD22 ASN A 42 6.322 10.890 0.897 1.00 1.40 H new ATOM 628 N LYS A 43 2.095 8.434 -2.140 1.00 0.70 N ATOM 629 CA LYS A 43 0.935 7.588 -2.341 1.00 0.72 C ATOM 630 C LYS A 43 1.350 6.167 -2.652 1.00 0.63 C ATOM 631 O LYS A 43 2.388 5.959 -3.270 1.00 0.81 O ATOM 632 CB LYS A 43 -0.001 8.173 -3.402 1.00 0.99 C ATOM 633 CG LYS A 43 0.623 8.323 -4.798 1.00 2.38 C ATOM 634 CD LYS A 43 -0.444 8.200 -5.897 1.00 2.06 C ATOM 635 CE LYS A 43 -1.654 9.131 -5.708 1.00 1.55 C ATOM 636 NZ LYS A 43 -2.700 8.844 -6.712 1.00 1.72 N ATOM 0 H LYS A 43 2.588 8.658 -3.005 1.00 0.70 H new ATOM 0 HA LYS A 43 0.368 7.556 -1.411 1.00 0.72 H new ATOM 0 HB2 LYS A 43 -0.882 7.537 -3.480 1.00 0.99 H new ATOM 0 HB3 LYS A 43 -0.343 9.152 -3.065 1.00 0.99 H new ATOM 0 HG2 LYS A 43 1.120 9.290 -4.876 1.00 2.38 H new ATOM 0 HG3 LYS A 43 1.388 7.560 -4.942 1.00 2.38 H new ATOM 0 HD2 LYS A 43 0.017 8.413 -6.861 1.00 2.06 H new ATOM 0 HD3 LYS A 43 -0.795 7.169 -5.933 1.00 2.06 H new ATOM 0 HE2 LYS A 43 -2.062 9.005 -4.705 1.00 1.55 H new ATOM 0 HE3 LYS A 43 -1.336 10.170 -5.795 1.00 1.55 H new ATOM 0 HZ1 LYS A 43 -3.630 8.816 -6.247 1.00 1.72 H new ATOM 0 HZ2 LYS A 43 -2.698 9.589 -7.438 1.00 1.72 H new ATOM 0 HZ3 LYS A 43 -2.509 7.925 -7.159 1.00 1.72 H new ATOM 650 N ALA A 44 0.522 5.208 -2.248 1.00 0.54 N ATOM 651 CA ALA A 44 0.647 3.810 -2.584 1.00 0.55 C ATOM 652 C ALA A 44 -0.669 3.362 -3.200 1.00 0.60 C ATOM 653 O ALA A 44 -1.718 3.461 -2.564 1.00 0.67 O ATOM 654 CB ALA A 44 1.026 3.020 -1.330 1.00 0.64 C ATOM 0 H ALA A 44 -0.284 5.401 -1.654 1.00 0.54 H new ATOM 0 HA ALA A 44 1.439 3.633 -3.312 1.00 0.55 H new ATOM 0 HB1 ALA A 44 1.121 1.963 -1.581 1.00 0.64 H new ATOM 0 HB2 ALA A 44 1.976 3.388 -0.941 1.00 0.64 H new ATOM 0 HB3 ALA A 44 0.252 3.145 -0.573 1.00 0.64 H new ATOM 660 N HIS A 45 -0.606 2.917 -4.457 1.00 0.65 N ATOM 661 CA HIS A 45 -1.690 2.383 -5.228 1.00 0.78 C ATOM 662 C HIS A 45 -1.485 0.882 -5.083 1.00 0.71 C ATOM 663 O HIS A 45 -0.578 0.306 -5.686 1.00 0.78 O ATOM 664 CB HIS A 45 -1.532 2.967 -6.642 1.00 1.13 C ATOM 665 CG HIS A 45 -2.107 2.218 -7.809 1.00 1.08 C ATOM 666 ND1 HIS A 45 -1.795 2.502 -9.117 1.00 1.88 N ATOM 667 CD2 HIS A 45 -2.872 1.082 -7.798 1.00 1.10 C ATOM 668 CE1 HIS A 45 -2.362 1.560 -9.881 1.00 2.34 C ATOM 669 NE2 HIS A 45 -3.027 0.673 -9.125 1.00 1.88 N ATOM 0 H HIS A 45 0.269 2.928 -4.982 1.00 0.65 H new ATOM 0 HA HIS A 45 -2.712 2.624 -4.934 1.00 0.78 H new ATOM 0 HB2 HIS A 45 -1.977 3.962 -6.638 1.00 1.13 H new ATOM 0 HB3 HIS A 45 -0.466 3.096 -6.827 1.00 1.13 H new ATOM 0 HD1 HIS A 45 -1.234 3.288 -9.446 1.00 1.88 H new ATOM 0 HD2 HIS A 45 -3.280 0.593 -6.926 1.00 1.10 H new ATOM 0 HE1 HIS A 45 -2.294 1.520 -10.958 1.00 2.34 H new ATOM 677 N ILE A 46 -2.296 0.274 -4.220 1.00 0.68 N ATOM 678 CA ILE A 46 -2.319 -1.156 -3.984 1.00 0.58 C ATOM 679 C ILE A 46 -3.432 -1.714 -4.863 1.00 0.72 C ATOM 680 O ILE A 46 -4.498 -1.103 -4.967 1.00 1.13 O ATOM 681 CB ILE A 46 -2.571 -1.437 -2.488 1.00 0.51 C ATOM 682 CG1 ILE A 46 -1.304 -1.269 -1.632 1.00 0.49 C ATOM 683 CG2 ILE A 46 -3.089 -2.868 -2.294 1.00 0.74 C ATOM 684 CD1 ILE A 46 -0.746 0.151 -1.594 1.00 1.26 C ATOM 0 H ILE A 46 -2.973 0.784 -3.652 1.00 0.68 H new ATOM 0 HA ILE A 46 -1.370 -1.630 -4.233 1.00 0.58 H new ATOM 0 HB ILE A 46 -3.311 -0.706 -2.161 1.00 0.51 H new ATOM 0 HG12 ILE A 46 -1.526 -1.586 -0.613 1.00 0.49 H new ATOM 0 HG13 ILE A 46 -0.533 -1.938 -2.013 1.00 0.49 H new ATOM 0 HG21 ILE A 46 -3.262 -3.052 -1.234 1.00 0.74 H new ATOM 0 HG22 ILE A 46 -4.023 -2.994 -2.841 1.00 0.74 H new ATOM 0 HG23 ILE A 46 -2.350 -3.576 -2.669 1.00 0.74 H new ATOM 0 HD11 ILE A 46 0.146 0.175 -0.968 1.00 1.26 H new ATOM 0 HD12 ILE A 46 -0.488 0.468 -2.605 1.00 1.26 H new ATOM 0 HD13 ILE A 46 -1.496 0.826 -1.183 1.00 1.26 H new ATOM 696 N LYS A 47 -3.196 -2.868 -5.494 1.00 0.57 N ATOM 697 CA LYS A 47 -4.234 -3.616 -6.169 1.00 0.58 C ATOM 698 C LYS A 47 -4.260 -5.009 -5.555 1.00 0.57 C ATOM 699 O LYS A 47 -3.264 -5.735 -5.610 1.00 0.75 O ATOM 700 CB LYS A 47 -3.992 -3.600 -7.678 1.00 0.60 C ATOM 701 CG LYS A 47 -4.006 -2.142 -8.176 1.00 0.59 C ATOM 702 CD LYS A 47 -4.558 -1.999 -9.606 1.00 0.87 C ATOM 703 CE LYS A 47 -3.534 -2.279 -10.713 1.00 2.11 C ATOM 704 NZ LYS A 47 -3.124 -3.694 -10.752 1.00 3.39 N ATOM 0 H LYS A 47 -2.274 -3.302 -5.545 1.00 0.57 H new ATOM 0 HA LYS A 47 -5.220 -3.171 -6.034 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -3.035 -4.067 -7.910 1.00 0.60 H new ATOM 0 HB3 LYS A 47 -4.762 -4.179 -8.188 1.00 0.60 H new ATOM 0 HG2 LYS A 47 -4.609 -1.538 -7.498 1.00 0.59 H new ATOM 0 HG3 LYS A 47 -2.992 -1.743 -8.142 1.00 0.59 H new ATOM 0 HD2 LYS A 47 -5.400 -2.680 -9.727 1.00 0.87 H new ATOM 0 HD3 LYS A 47 -4.945 -0.988 -9.733 1.00 0.87 H new ATOM 0 HE2 LYS A 47 -3.959 -2.000 -11.677 1.00 2.11 H new ATOM 0 HE3 LYS A 47 -2.655 -1.653 -10.559 1.00 2.11 H new ATOM 0 HZ1 LYS A 47 -3.106 -4.023 -11.738 1.00 3.39 H new ATOM 0 HZ2 LYS A 47 -2.176 -3.792 -10.337 1.00 3.39 H new ATOM 0 HZ3 LYS A 47 -3.801 -4.267 -10.209 1.00 3.39 H new ATOM 718 N TYR A 48 -5.382 -5.328 -4.910 1.00 0.71 N ATOM 719 CA TYR A 48 -5.598 -6.526 -4.127 1.00 0.65 C ATOM 720 C TYR A 48 -6.783 -7.330 -4.664 1.00 0.82 C ATOM 721 O TYR A 48 -7.609 -6.803 -5.408 1.00 1.25 O ATOM 722 CB TYR A 48 -5.764 -6.128 -2.653 1.00 0.74 C ATOM 723 CG TYR A 48 -7.062 -5.433 -2.266 1.00 0.98 C ATOM 724 CD1 TYR A 48 -8.195 -6.206 -1.950 1.00 2.21 C ATOM 725 CD2 TYR A 48 -7.082 -4.049 -2.011 1.00 1.90 C ATOM 726 CE1 TYR A 48 -9.314 -5.616 -1.339 1.00 2.47 C ATOM 727 CE2 TYR A 48 -8.204 -3.455 -1.406 1.00 1.97 C ATOM 728 CZ TYR A 48 -9.309 -4.243 -1.050 1.00 1.55 C ATOM 729 OH TYR A 48 -10.361 -3.678 -0.392 1.00 1.87 O ATOM 0 H TYR A 48 -6.202 -4.721 -4.926 1.00 0.71 H new ATOM 0 HA TYR A 48 -4.735 -7.186 -4.207 1.00 0.65 H new ATOM 0 HB2 TYR A 48 -5.668 -7.028 -2.046 1.00 0.74 H new ATOM 0 HB3 TYR A 48 -4.936 -5.473 -2.384 1.00 0.74 H new ATOM 0 HD1 TYR A 48 -8.204 -7.261 -2.179 1.00 2.21 H new ATOM 0 HD2 TYR A 48 -6.232 -3.440 -2.281 1.00 1.90 H new ATOM 0 HE1 TYR A 48 -10.176 -6.218 -1.092 1.00 2.47 H new ATOM 0 HE2 TYR A 48 -8.215 -2.392 -1.215 1.00 1.97 H new ATOM 0 HH TYR A 48 -10.195 -2.720 -0.272 1.00 1.87 H new ATOM 739 N ASP A 49 -6.847 -8.605 -4.283 1.00 0.64 N ATOM 740 CA ASP A 49 -7.907 -9.546 -4.605 1.00 0.89 C ATOM 741 C ASP A 49 -8.935 -9.495 -3.478 1.00 0.95 C ATOM 742 O ASP A 49 -8.578 -9.799 -2.338 1.00 0.85 O ATOM 743 CB ASP A 49 -7.324 -10.964 -4.662 1.00 0.99 C ATOM 744 CG ASP A 49 -6.355 -11.151 -5.814 1.00 1.95 C ATOM 745 OD1 ASP A 49 -6.816 -11.097 -6.971 1.00 2.63 O ATOM 746 OD2 ASP A 49 -5.155 -11.335 -5.516 1.00 3.26 O ATOM 0 H ASP A 49 -6.117 -9.028 -3.709 1.00 0.64 H new ATOM 0 HA ASP A 49 -8.360 -9.293 -5.564 1.00 0.89 H new ATOM 0 HB2 ASP A 49 -6.813 -11.181 -3.724 1.00 0.99 H new ATOM 0 HB3 ASP A 49 -8.137 -11.684 -4.756 1.00 0.99 H new ATOM 751 N PRO A 50 -10.204 -9.145 -3.730 1.00 1.27 N ATOM 752 CA PRO A 50 -11.229 -9.089 -2.697 1.00 1.60 C ATOM 753 C PRO A 50 -11.732 -10.505 -2.371 1.00 1.94 C ATOM 754 O PRO A 50 -12.932 -10.770 -2.404 1.00 2.60 O ATOM 755 CB PRO A 50 -12.310 -8.177 -3.289 1.00 1.90 C ATOM 756 CG PRO A 50 -12.234 -8.489 -4.784 1.00 1.86 C ATOM 757 CD PRO A 50 -10.738 -8.722 -5.010 1.00 1.47 C ATOM 0 HA PRO A 50 -10.875 -8.696 -1.744 1.00 1.60 H new ATOM 0 HB2 PRO A 50 -13.295 -8.399 -2.879 1.00 1.90 H new ATOM 0 HB3 PRO A 50 -12.109 -7.125 -3.084 1.00 1.90 H new ATOM 0 HG2 PRO A 50 -12.823 -9.368 -5.043 1.00 1.86 H new ATOM 0 HG3 PRO A 50 -12.610 -7.664 -5.388 1.00 1.86 H new ATOM 0 HD2 PRO A 50 -10.572 -9.482 -5.773 1.00 1.47 H new ATOM 0 HD3 PRO A 50 -10.249 -7.811 -5.356 1.00 1.47 H new ATOM 765 N GLU A 51 -10.803 -11.412 -2.058 1.00 1.75 N ATOM 766 CA GLU A 51 -11.048 -12.806 -1.725 1.00 2.16 C ATOM 767 C GLU A 51 -10.932 -13.001 -0.210 1.00 1.51 C ATOM 768 O GLU A 51 -11.750 -13.691 0.396 1.00 2.28 O ATOM 769 CB GLU A 51 -10.074 -13.700 -2.517 1.00 2.77 C ATOM 770 CG GLU A 51 -8.585 -13.443 -2.221 1.00 3.71 C ATOM 771 CD GLU A 51 -7.641 -14.251 -3.102 1.00 5.00 C ATOM 772 OE1 GLU A 51 -8.085 -15.287 -3.637 1.00 5.00 O ATOM 773 OE2 GLU A 51 -6.465 -13.835 -3.192 1.00 6.39 O ATOM 0 H GLU A 51 -9.811 -11.176 -2.030 1.00 1.75 H new ATOM 0 HA GLU A 51 -12.060 -13.096 -2.009 1.00 2.16 H new ATOM 0 HB2 GLU A 51 -10.300 -14.744 -2.298 1.00 2.77 H new ATOM 0 HB3 GLU A 51 -10.250 -13.552 -3.582 1.00 2.77 H new ATOM 0 HG2 GLU A 51 -8.374 -12.382 -2.354 1.00 3.71 H new ATOM 0 HG3 GLU A 51 -8.385 -13.679 -1.176 1.00 3.71 H new ATOM 780 N ILE A 52 -9.902 -12.394 0.390 1.00 0.66 N ATOM 781 CA ILE A 52 -9.531 -12.574 1.790 1.00 1.04 C ATOM 782 C ILE A 52 -9.171 -11.246 2.467 1.00 1.33 C ATOM 783 O ILE A 52 -9.589 -10.989 3.592 1.00 2.11 O ATOM 784 CB ILE A 52 -8.385 -13.601 1.912 1.00 1.52 C ATOM 785 CG1 ILE A 52 -7.099 -13.259 1.130 1.00 1.49 C ATOM 786 CG2 ILE A 52 -8.876 -15.011 1.550 1.00 2.19 C ATOM 787 CD1 ILE A 52 -5.964 -12.832 2.067 1.00 2.59 C ATOM 0 H ILE A 52 -9.288 -11.746 -0.103 1.00 0.66 H new ATOM 0 HA ILE A 52 -10.401 -12.964 2.318 1.00 1.04 H new ATOM 0 HB ILE A 52 -8.093 -13.562 2.961 1.00 1.52 H new ATOM 0 HG12 ILE A 52 -6.785 -14.126 0.549 1.00 1.49 H new ATOM 0 HG13 ILE A 52 -7.306 -12.458 0.421 1.00 1.49 H new ATOM 0 HG21 ILE A 52 -8.052 -15.718 1.643 1.00 2.19 H new ATOM 0 HG22 ILE A 52 -9.681 -15.301 2.226 1.00 2.19 H new ATOM 0 HG23 ILE A 52 -9.244 -15.016 0.524 1.00 2.19 H new ATOM 0 HD11 ILE A 52 -5.076 -12.599 1.480 1.00 2.59 H new ATOM 0 HD12 ILE A 52 -6.269 -11.949 2.629 1.00 2.59 H new ATOM 0 HD13 ILE A 52 -5.739 -13.643 2.759 1.00 2.59 H new ATOM 799 N ILE A 53 -8.358 -10.424 1.803 1.00 0.86 N ATOM 800 CA ILE A 53 -7.720 -9.255 2.394 1.00 0.99 C ATOM 801 C ILE A 53 -8.689 -8.067 2.416 1.00 1.01 C ATOM 802 O ILE A 53 -9.533 -7.945 1.527 1.00 1.05 O ATOM 803 CB ILE A 53 -6.457 -8.963 1.563 1.00 1.10 C ATOM 804 CG1 ILE A 53 -5.420 -8.082 2.269 1.00 1.21 C ATOM 805 CG2 ILE A 53 -6.807 -8.320 0.223 1.00 1.26 C ATOM 806 CD1 ILE A 53 -4.422 -8.936 3.053 1.00 1.21 C ATOM 0 H ILE A 53 -8.122 -10.558 0.820 1.00 0.86 H new ATOM 0 HA ILE A 53 -7.442 -9.436 3.432 1.00 0.99 H new ATOM 0 HB ILE A 53 -6.004 -9.943 1.414 1.00 1.10 H new ATOM 0 HG12 ILE A 53 -4.889 -7.478 1.533 1.00 1.21 H new ATOM 0 HG13 ILE A 53 -5.924 -7.391 2.945 1.00 1.21 H new ATOM 0 HG21 ILE A 53 -5.893 -8.127 -0.338 1.00 1.26 H new ATOM 0 HG22 ILE A 53 -7.448 -8.993 -0.347 1.00 1.26 H new ATOM 0 HG23 ILE A 53 -7.331 -7.380 0.396 1.00 1.26 H new ATOM 0 HD11 ILE A 53 -3.696 -8.288 3.545 1.00 1.21 H new ATOM 0 HD12 ILE A 53 -4.954 -9.521 3.803 1.00 1.21 H new ATOM 0 HD13 ILE A 53 -3.903 -9.609 2.370 1.00 1.21 H new ATOM 818 N GLY A 54 -8.551 -7.170 3.396 1.00 1.05 N ATOM 819 CA GLY A 54 -9.243 -5.894 3.434 1.00 1.07 C ATOM 820 C GLY A 54 -8.233 -4.743 3.495 1.00 1.00 C ATOM 821 O GLY A 54 -7.020 -4.958 3.462 1.00 1.00 O ATOM 0 H GLY A 54 -7.940 -7.321 4.199 1.00 1.05 H new ATOM 0 HA2 GLY A 54 -9.873 -5.788 2.551 1.00 1.07 H new ATOM 0 HA3 GLY A 54 -9.902 -5.855 4.302 1.00 1.07 H new ATOM 825 N PRO A 55 -8.722 -3.498 3.601 1.00 1.01 N ATOM 826 CA PRO A 55 -7.868 -2.339 3.803 1.00 0.96 C ATOM 827 C PRO A 55 -7.108 -2.461 5.125 1.00 0.96 C ATOM 828 O PRO A 55 -5.941 -2.089 5.202 1.00 0.89 O ATOM 829 CB PRO A 55 -8.806 -1.127 3.773 1.00 1.07 C ATOM 830 CG PRO A 55 -10.164 -1.701 4.177 1.00 1.17 C ATOM 831 CD PRO A 55 -10.126 -3.119 3.604 1.00 1.11 C ATOM 0 HA PRO A 55 -7.102 -2.245 3.033 1.00 0.96 H new ATOM 0 HB2 PRO A 55 -8.478 -0.351 4.465 1.00 1.07 H new ATOM 0 HB3 PRO A 55 -8.843 -0.675 2.782 1.00 1.07 H new ATOM 0 HG2 PRO A 55 -10.293 -1.707 5.259 1.00 1.17 H new ATOM 0 HG3 PRO A 55 -10.987 -1.120 3.761 1.00 1.17 H new ATOM 0 HD2 PRO A 55 -10.716 -3.804 4.212 1.00 1.11 H new ATOM 0 HD3 PRO A 55 -10.542 -3.147 2.597 1.00 1.11 H new ATOM 839 N ARG A 56 -7.767 -2.983 6.165 1.00 1.08 N ATOM 840 CA ARG A 56 -7.205 -3.140 7.500 1.00 1.17 C ATOM 841 C ARG A 56 -5.839 -3.835 7.462 1.00 1.09 C ATOM 842 O ARG A 56 -4.872 -3.361 8.062 1.00 1.09 O ATOM 843 CB ARG A 56 -8.211 -3.919 8.364 1.00 1.33 C ATOM 844 CG ARG A 56 -7.757 -4.129 9.816 1.00 1.68 C ATOM 845 CD ARG A 56 -7.686 -2.811 10.598 1.00 3.06 C ATOM 846 NE ARG A 56 -7.100 -3.015 11.928 1.00 4.11 N ATOM 847 CZ ARG A 56 -7.704 -3.493 13.024 1.00 4.86 C ATOM 848 NH1 ARG A 56 -8.997 -3.826 12.995 1.00 4.69 N ATOM 849 NH2 ARG A 56 -6.978 -3.635 14.136 1.00 6.30 N ATOM 0 H ARG A 56 -8.729 -3.314 6.094 1.00 1.08 H new ATOM 0 HA ARG A 56 -7.033 -2.157 7.938 1.00 1.17 H new ATOM 0 HB2 ARG A 56 -9.162 -3.387 8.365 1.00 1.33 H new ATOM 0 HB3 ARG A 56 -8.391 -4.892 7.906 1.00 1.33 H new ATOM 0 HG2 ARG A 56 -8.447 -4.809 10.316 1.00 1.68 H new ATOM 0 HG3 ARG A 56 -6.777 -4.607 9.823 1.00 1.68 H new ATOM 0 HD2 ARG A 56 -7.090 -2.087 10.042 1.00 3.06 H new ATOM 0 HD3 ARG A 56 -8.687 -2.390 10.699 1.00 3.06 H new ATOM 0 HE ARG A 56 -6.117 -2.763 12.030 1.00 4.11 H new ATOM 0 HH11 ARG A 56 -9.532 -3.717 12.134 1.00 4.69 H new ATOM 0 HH12 ARG A 56 -9.449 -4.189 13.834 1.00 4.69 H new ATOM 0 HH21 ARG A 56 -5.990 -3.382 14.136 1.00 6.30 H new ATOM 0 HH22 ARG A 56 -7.412 -3.997 14.985 1.00 6.30 H new ATOM 863 N ASP A 57 -5.772 -4.975 6.772 1.00 1.06 N ATOM 864 CA ASP A 57 -4.573 -5.788 6.672 1.00 1.04 C ATOM 865 C ASP A 57 -3.443 -4.944 6.090 1.00 0.95 C ATOM 866 O ASP A 57 -2.373 -4.822 6.686 1.00 0.97 O ATOM 867 CB ASP A 57 -4.838 -7.002 5.770 1.00 1.09 C ATOM 868 CG ASP A 57 -6.168 -7.685 6.039 1.00 1.84 C ATOM 869 OD1 ASP A 57 -7.193 -7.032 5.730 1.00 3.12 O ATOM 870 OD2 ASP A 57 -6.143 -8.831 6.530 1.00 2.03 O ATOM 0 H ASP A 57 -6.566 -5.360 6.261 1.00 1.06 H new ATOM 0 HA ASP A 57 -4.289 -6.143 7.663 1.00 1.04 H new ATOM 0 HB2 ASP A 57 -4.808 -6.683 4.728 1.00 1.09 H new ATOM 0 HB3 ASP A 57 -4.034 -7.726 5.905 1.00 1.09 H new ATOM 875 N ILE A 58 -3.703 -4.349 4.922 1.00 0.86 N ATOM 876 CA ILE A 58 -2.760 -3.487 4.223 1.00 0.74 C ATOM 877 C ILE A 58 -2.288 -2.389 5.172 1.00 0.76 C ATOM 878 O ILE A 58 -1.091 -2.146 5.297 1.00 0.74 O ATOM 879 CB ILE A 58 -3.410 -2.886 2.963 1.00 0.68 C ATOM 880 CG1 ILE A 58 -3.762 -3.985 1.947 1.00 0.60 C ATOM 881 CG2 ILE A 58 -2.472 -1.858 2.311 1.00 0.64 C ATOM 882 CD1 ILE A 58 -4.827 -3.484 0.970 1.00 1.70 C ATOM 0 H ILE A 58 -4.591 -4.458 4.432 1.00 0.86 H new ATOM 0 HA ILE A 58 -1.899 -4.073 3.902 1.00 0.74 H new ATOM 0 HB ILE A 58 -4.330 -2.387 3.268 1.00 0.68 H new ATOM 0 HG12 ILE A 58 -2.868 -4.283 1.399 1.00 0.60 H new ATOM 0 HG13 ILE A 58 -4.126 -4.870 2.470 1.00 0.60 H new ATOM 0 HG21 ILE A 58 -2.948 -1.444 1.422 1.00 0.64 H new ATOM 0 HG22 ILE A 58 -2.264 -1.055 3.019 1.00 0.64 H new ATOM 0 HG23 ILE A 58 -1.538 -2.345 2.029 1.00 0.64 H new ATOM 0 HD11 ILE A 58 -5.066 -4.273 0.257 1.00 1.70 H new ATOM 0 HD12 ILE A 58 -5.726 -3.209 1.521 1.00 1.70 H new ATOM 0 HD13 ILE A 58 -4.449 -2.613 0.435 1.00 1.70 H new ATOM 894 N ILE A 59 -3.234 -1.727 5.839 1.00 0.81 N ATOM 895 CA ILE A 59 -2.953 -0.639 6.756 1.00 0.85 C ATOM 896 C ILE A 59 -1.914 -1.084 7.794 1.00 0.87 C ATOM 897 O ILE A 59 -0.817 -0.526 7.852 1.00 0.83 O ATOM 898 CB ILE A 59 -4.274 -0.089 7.334 1.00 0.90 C ATOM 899 CG1 ILE A 59 -4.950 0.830 6.300 1.00 0.92 C ATOM 900 CG2 ILE A 59 -4.091 0.631 8.678 1.00 0.95 C ATOM 901 CD1 ILE A 59 -6.446 1.007 6.572 1.00 0.95 C ATOM 0 H ILE A 59 -4.228 -1.940 5.751 1.00 0.81 H new ATOM 0 HA ILE A 59 -2.494 0.204 6.240 1.00 0.85 H new ATOM 0 HB ILE A 59 -4.919 -0.943 7.540 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -4.463 1.805 6.310 1.00 0.92 H new ATOM 0 HG13 ILE A 59 -4.811 0.415 5.302 1.00 0.92 H new ATOM 0 HG21 ILE A 59 -5.056 0.994 9.031 1.00 0.95 H new ATOM 0 HG22 ILE A 59 -3.675 -0.063 9.409 1.00 0.95 H new ATOM 0 HG23 ILE A 59 -3.411 1.473 8.550 1.00 0.95 H new ATOM 0 HD11 ILE A 59 -6.878 1.663 5.816 1.00 0.95 H new ATOM 0 HD12 ILE A 59 -6.940 0.036 6.535 1.00 0.95 H new ATOM 0 HD13 ILE A 59 -6.587 1.448 7.559 1.00 0.95 H new ATOM 913 N HIS A 60 -2.215 -2.136 8.560 1.00 0.93 N ATOM 914 CA HIS A 60 -1.318 -2.585 9.624 1.00 0.99 C ATOM 915 C HIS A 60 -0.006 -3.116 9.050 1.00 0.89 C ATOM 916 O HIS A 60 1.064 -2.943 9.638 1.00 0.85 O ATOM 917 CB HIS A 60 -2.011 -3.628 10.506 1.00 1.20 C ATOM 918 CG HIS A 60 -3.031 -3.049 11.457 1.00 1.74 C ATOM 919 ND1 HIS A 60 -3.155 -1.726 11.825 1.00 3.23 N ATOM 920 CD2 HIS A 60 -3.893 -3.769 12.237 1.00 1.60 C ATOM 921 CE1 HIS A 60 -4.076 -1.654 12.797 1.00 3.49 C ATOM 922 NE2 HIS A 60 -4.578 -2.874 13.071 1.00 2.49 N ATOM 0 H HIS A 60 -3.067 -2.688 8.463 1.00 0.93 H new ATOM 0 HA HIS A 60 -1.072 -1.728 10.251 1.00 0.99 H new ATOM 0 HB2 HIS A 60 -2.501 -4.362 9.866 1.00 1.20 H new ATOM 0 HB3 HIS A 60 -1.255 -4.162 11.082 1.00 1.20 H new ATOM 0 HD1 HIS A 60 -2.638 -0.941 11.428 1.00 3.23 H new ATOM 0 HD2 HIS A 60 -4.023 -4.841 12.215 1.00 1.60 H new ATOM 0 HE1 HIS A 60 -4.375 -0.742 13.293 1.00 3.49 H new ATOM 930 N THR A 61 -0.076 -3.753 7.883 1.00 0.87 N ATOM 931 CA THR A 61 1.120 -4.189 7.188 1.00 0.86 C ATOM 932 C THR A 61 2.029 -2.982 6.938 1.00 0.75 C ATOM 933 O THR A 61 3.204 -3.012 7.290 1.00 0.79 O ATOM 934 CB THR A 61 0.724 -4.930 5.906 1.00 0.92 C ATOM 935 OG1 THR A 61 -0.001 -6.092 6.249 1.00 1.08 O ATOM 936 CG2 THR A 61 1.942 -5.366 5.087 1.00 0.97 C ATOM 0 H THR A 61 -0.949 -3.976 7.405 1.00 0.87 H new ATOM 0 HA THR A 61 1.690 -4.894 7.794 1.00 0.86 H new ATOM 0 HB THR A 61 0.128 -4.242 5.306 1.00 0.92 H new ATOM 0 HG1 THR A 61 -0.928 -5.850 6.456 1.00 1.08 H new ATOM 0 HG21 THR A 61 1.609 -5.886 4.189 1.00 0.97 H new ATOM 0 HG22 THR A 61 2.523 -4.488 4.804 1.00 0.97 H new ATOM 0 HG23 THR A 61 2.562 -6.034 5.685 1.00 0.97 H new ATOM 944 N ILE A 62 1.503 -1.905 6.354 1.00 0.65 N ATOM 945 CA ILE A 62 2.307 -0.741 6.008 1.00 0.57 C ATOM 946 C ILE A 62 2.790 0.004 7.262 1.00 0.57 C ATOM 947 O ILE A 62 3.930 0.476 7.280 1.00 0.61 O ATOM 948 CB ILE A 62 1.561 0.133 4.991 1.00 0.54 C ATOM 949 CG1 ILE A 62 1.416 -0.641 3.666 1.00 0.53 C ATOM 950 CG2 ILE A 62 2.323 1.438 4.750 1.00 0.56 C ATOM 951 CD1 ILE A 62 0.486 0.071 2.686 1.00 1.24 C ATOM 0 H ILE A 62 0.516 -1.818 6.111 1.00 0.65 H new ATOM 0 HA ILE A 62 3.223 -1.064 5.513 1.00 0.57 H new ATOM 0 HB ILE A 62 0.574 0.376 5.384 1.00 0.54 H new ATOM 0 HG12 ILE A 62 2.398 -0.765 3.209 1.00 0.53 H new ATOM 0 HG13 ILE A 62 1.031 -1.640 3.870 1.00 0.53 H new ATOM 0 HG21 ILE A 62 1.781 2.047 4.026 1.00 0.56 H new ATOM 0 HG22 ILE A 62 2.414 1.985 5.689 1.00 0.56 H new ATOM 0 HG23 ILE A 62 3.317 1.213 4.363 1.00 0.56 H new ATOM 0 HD11 ILE A 62 0.413 -0.510 1.766 1.00 1.24 H new ATOM 0 HD12 ILE A 62 -0.504 0.171 3.131 1.00 1.24 H new ATOM 0 HD13 ILE A 62 0.884 1.060 2.460 1.00 1.24 H new ATOM 963 N GLU A 63 1.979 0.051 8.328 1.00 0.55 N ATOM 964 CA GLU A 63 2.474 0.470 9.637 1.00 0.50 C ATOM 965 C GLU A 63 3.747 -0.313 9.972 1.00 0.55 C ATOM 966 O GLU A 63 4.787 0.283 10.242 1.00 0.66 O ATOM 967 CB GLU A 63 1.412 0.282 10.726 1.00 0.52 C ATOM 968 CG GLU A 63 0.217 1.230 10.568 1.00 1.27 C ATOM 969 CD GLU A 63 -0.895 0.845 11.533 1.00 1.85 C ATOM 970 OE1 GLU A 63 -0.605 0.759 12.743 1.00 2.40 O ATOM 971 OE2 GLU A 63 -2.013 0.577 11.043 1.00 2.82 O ATOM 0 H GLU A 63 0.989 -0.194 8.306 1.00 0.55 H new ATOM 0 HA GLU A 63 2.706 1.534 9.599 1.00 0.50 H new ATOM 0 HB2 GLU A 63 1.057 -0.748 10.705 1.00 0.52 H new ATOM 0 HB3 GLU A 63 1.869 0.442 11.703 1.00 0.52 H new ATOM 0 HG2 GLU A 63 0.531 2.257 10.756 1.00 1.27 H new ATOM 0 HG3 GLU A 63 -0.153 1.192 9.543 1.00 1.27 H new ATOM 978 N SER A 64 3.683 -1.647 9.895 1.00 0.59 N ATOM 979 CA SER A 64 4.843 -2.503 10.132 1.00 0.68 C ATOM 980 C SER A 64 6.003 -2.160 9.181 1.00 0.86 C ATOM 981 O SER A 64 7.152 -2.066 9.612 1.00 0.95 O ATOM 982 CB SER A 64 4.428 -3.980 10.058 1.00 0.77 C ATOM 983 OG SER A 64 5.417 -4.806 10.640 1.00 1.50 O ATOM 0 H SER A 64 2.830 -2.158 9.668 1.00 0.59 H new ATOM 0 HA SER A 64 5.220 -2.317 11.138 1.00 0.68 H new ATOM 0 HB2 SER A 64 3.478 -4.122 10.574 1.00 0.77 H new ATOM 0 HB3 SER A 64 4.272 -4.268 9.018 1.00 0.77 H new ATOM 0 HG SER A 64 5.135 -5.743 10.585 1.00 1.50 H new ATOM 989 N LEU A 65 5.727 -1.946 7.887 1.00 1.02 N ATOM 990 CA LEU A 65 6.757 -1.539 6.929 1.00 1.26 C ATOM 991 C LEU A 65 7.389 -0.189 7.289 1.00 1.30 C ATOM 992 O LEU A 65 8.547 0.050 6.926 1.00 1.56 O ATOM 993 CB LEU A 65 6.229 -1.497 5.489 1.00 1.37 C ATOM 994 CG LEU A 65 5.661 -2.825 4.963 1.00 1.47 C ATOM 995 CD1 LEU A 65 5.374 -2.680 3.466 1.00 1.67 C ATOM 996 CD2 LEU A 65 6.612 -4.004 5.189 1.00 1.62 C ATOM 0 H LEU A 65 4.797 -2.049 7.482 1.00 1.02 H new ATOM 0 HA LEU A 65 7.530 -2.305 6.989 1.00 1.26 H new ATOM 0 HB2 LEU A 65 5.451 -0.737 5.426 1.00 1.37 H new ATOM 0 HB3 LEU A 65 7.038 -1.180 4.831 1.00 1.37 H new ATOM 0 HG LEU A 65 4.748 -3.040 5.518 1.00 1.47 H new ATOM 0 HD11 LEU A 65 4.970 -3.616 3.081 1.00 1.67 H new ATOM 0 HD12 LEU A 65 4.649 -1.881 3.310 1.00 1.67 H new ATOM 0 HD13 LEU A 65 6.298 -2.439 2.940 1.00 1.67 H new ATOM 0 HD21 LEU A 65 6.160 -4.916 4.798 1.00 1.62 H new ATOM 0 HD22 LEU A 65 7.554 -3.816 4.673 1.00 1.62 H new ATOM 0 HD23 LEU A 65 6.800 -4.121 6.256 1.00 1.62 H new ATOM 1008 N GLY A 66 6.642 0.677 7.979 1.00 1.14 N ATOM 1009 CA GLY A 66 7.153 1.881 8.618 1.00 1.17 C ATOM 1010 C GLY A 66 6.603 3.162 7.998 1.00 0.96 C ATOM 1011 O GLY A 66 7.324 4.157 7.943 1.00 1.01 O ATOM 0 H GLY A 66 5.638 0.552 8.109 1.00 1.14 H new ATOM 0 HA2 GLY A 66 6.900 1.859 9.678 1.00 1.17 H new ATOM 0 HA3 GLY A 66 8.241 1.888 8.550 1.00 1.17 H new ATOM 1015 N PHE A 67 5.338 3.161 7.563 1.00 0.75 N ATOM 1016 CA PHE A 67 4.662 4.359 7.071 1.00 0.60 C ATOM 1017 C PHE A 67 3.235 4.347 7.600 1.00 0.54 C ATOM 1018 O PHE A 67 2.700 3.268 7.826 1.00 0.72 O ATOM 1019 CB PHE A 67 4.650 4.366 5.538 1.00 0.58 C ATOM 1020 CG PHE A 67 6.010 4.162 4.908 1.00 0.64 C ATOM 1021 CD1 PHE A 67 6.957 5.196 4.978 1.00 1.84 C ATOM 1022 CD2 PHE A 67 6.383 2.905 4.399 1.00 1.98 C ATOM 1023 CE1 PHE A 67 8.273 4.981 4.545 1.00 1.94 C ATOM 1024 CE2 PHE A 67 7.688 2.701 3.919 1.00 1.89 C ATOM 1025 CZ PHE A 67 8.639 3.732 4.015 1.00 0.64 C ATOM 0 H PHE A 67 4.755 2.324 7.544 1.00 0.75 H new ATOM 0 HA PHE A 67 5.185 5.252 7.413 1.00 0.60 H new ATOM 0 HB2 PHE A 67 3.978 3.583 5.187 1.00 0.58 H new ATOM 0 HB3 PHE A 67 4.241 5.315 5.193 1.00 0.58 H new ATOM 0 HD1 PHE A 67 6.670 6.162 5.367 1.00 1.84 H new ATOM 0 HD2 PHE A 67 5.667 2.097 4.377 1.00 1.98 H new ATOM 0 HE1 PHE A 67 9.003 5.773 4.619 1.00 1.94 H new ATOM 0 HE2 PHE A 67 7.960 1.754 3.477 1.00 1.89 H new ATOM 0 HZ PHE A 67 9.652 3.564 3.681 1.00 0.64 H new ATOM 1035 N GLU A 68 2.609 5.514 7.773 1.00 0.47 N ATOM 1036 CA GLU A 68 1.224 5.603 8.207 1.00 0.48 C ATOM 1037 C GLU A 68 0.327 5.780 6.973 1.00 0.43 C ATOM 1038 O GLU A 68 0.442 6.807 6.301 1.00 0.59 O ATOM 1039 CB GLU A 68 1.077 6.793 9.148 1.00 0.79 C ATOM 1040 CG GLU A 68 1.713 6.549 10.522 1.00 1.40 C ATOM 1041 CD GLU A 68 1.683 7.813 11.365 1.00 2.10 C ATOM 1042 OE1 GLU A 68 0.990 8.779 10.971 1.00 2.12 O ATOM 1043 OE2 GLU A 68 2.441 7.897 12.349 1.00 3.39 O ATOM 0 H GLU A 68 3.052 6.419 7.615 1.00 0.47 H new ATOM 0 HA GLU A 68 0.928 4.696 8.734 1.00 0.48 H new ATOM 0 HB2 GLU A 68 1.536 7.670 8.691 1.00 0.79 H new ATOM 0 HB3 GLU A 68 0.019 7.018 9.278 1.00 0.79 H new ATOM 0 HG2 GLU A 68 1.180 5.750 11.038 1.00 1.40 H new ATOM 0 HG3 GLU A 68 2.743 6.215 10.396 1.00 1.40 H new ATOM 1050 N PRO A 69 -0.532 4.798 6.646 1.00 0.52 N ATOM 1051 CA PRO A 69 -1.395 4.841 5.479 1.00 0.72 C ATOM 1052 C PRO A 69 -2.749 5.482 5.803 1.00 0.78 C ATOM 1053 O PRO A 69 -3.488 4.971 6.642 1.00 1.10 O ATOM 1054 CB PRO A 69 -1.574 3.375 5.078 1.00 0.84 C ATOM 1055 CG PRO A 69 -1.500 2.627 6.402 1.00 0.76 C ATOM 1056 CD PRO A 69 -0.613 3.494 7.289 1.00 0.62 C ATOM 0 HA PRO A 69 -0.964 5.445 4.680 1.00 0.72 H new ATOM 0 HB2 PRO A 69 -2.528 3.210 4.578 1.00 0.84 H new ATOM 0 HB3 PRO A 69 -0.793 3.050 4.390 1.00 0.84 H new ATOM 0 HG2 PRO A 69 -2.490 2.497 6.839 1.00 0.76 H new ATOM 0 HG3 PRO A 69 -1.076 1.631 6.271 1.00 0.76 H new ATOM 0 HD2 PRO A 69 -1.033 3.581 8.291 1.00 0.62 H new ATOM 0 HD3 PRO A 69 0.378 3.052 7.396 1.00 0.62 H new ATOM 1064 N SER A 70 -3.102 6.555 5.090 1.00 0.78 N ATOM 1065 CA SER A 70 -4.422 7.174 5.121 1.00 0.88 C ATOM 1066 C SER A 70 -5.018 7.046 3.721 1.00 0.93 C ATOM 1067 O SER A 70 -4.327 7.330 2.749 1.00 0.84 O ATOM 1068 CB SER A 70 -4.277 8.649 5.505 1.00 1.01 C ATOM 1069 OG SER A 70 -3.769 8.758 6.820 1.00 1.47 O ATOM 0 H SER A 70 -2.456 7.028 4.458 1.00 0.78 H new ATOM 0 HA SER A 70 -5.070 6.690 5.852 1.00 0.88 H new ATOM 0 HB2 SER A 70 -3.609 9.152 4.805 1.00 1.01 H new ATOM 0 HB3 SER A 70 -5.244 9.148 5.437 1.00 1.01 H new ATOM 0 HG SER A 70 -3.677 9.704 7.058 1.00 1.47 H new ATOM 1075 N LEU A 71 -6.272 6.608 3.587 1.00 1.34 N ATOM 1076 CA LEU A 71 -6.902 6.452 2.282 1.00 1.60 C ATOM 1077 C LEU A 71 -6.879 7.782 1.516 1.00 2.13 C ATOM 1078 O LEU A 71 -7.218 8.823 2.074 1.00 2.93 O ATOM 1079 CB LEU A 71 -8.341 5.947 2.442 1.00 2.27 C ATOM 1080 CG LEU A 71 -8.441 4.467 2.850 1.00 2.20 C ATOM 1081 CD1 LEU A 71 -8.120 4.219 4.330 1.00 2.14 C ATOM 1082 CD2 LEU A 71 -9.862 3.966 2.564 1.00 3.83 C ATOM 0 H LEU A 71 -6.871 6.355 4.373 1.00 1.34 H new ATOM 0 HA LEU A 71 -6.340 5.715 1.709 1.00 1.60 H new ATOM 0 HB2 LEU A 71 -8.848 6.555 3.191 1.00 2.27 H new ATOM 0 HB3 LEU A 71 -8.873 6.091 1.502 1.00 2.27 H new ATOM 0 HG LEU A 71 -7.697 3.927 2.265 1.00 2.20 H new ATOM 0 HD11 LEU A 71 -8.210 3.155 4.548 1.00 2.14 H new ATOM 0 HD12 LEU A 71 -7.103 4.548 4.542 1.00 2.14 H new ATOM 0 HD13 LEU A 71 -8.819 4.777 4.952 1.00 2.14 H new ATOM 0 HD21 LEU A 71 -9.943 2.917 2.850 1.00 3.83 H new ATOM 0 HD22 LEU A 71 -10.578 4.555 3.138 1.00 3.83 H new ATOM 0 HD23 LEU A 71 -10.077 4.069 1.500 1.00 3.83 H new ATOM 1094 N VAL A 72 -6.482 7.756 0.239 1.00 2.32 N ATOM 1095 CA VAL A 72 -6.580 8.926 -0.630 1.00 2.91 C ATOM 1096 C VAL A 72 -8.056 9.180 -0.937 1.00 2.01 C ATOM 1097 O VAL A 72 -8.542 10.304 -0.827 1.00 2.50 O ATOM 1098 CB VAL A 72 -5.785 8.710 -1.935 1.00 4.13 C ATOM 1099 CG1 VAL A 72 -5.964 9.877 -2.915 1.00 4.82 C ATOM 1100 CG2 VAL A 72 -4.287 8.552 -1.665 1.00 5.28 C ATOM 0 H VAL A 72 -6.088 6.931 -0.214 1.00 2.32 H new ATOM 0 HA VAL A 72 -6.152 9.792 -0.125 1.00 2.91 H new ATOM 0 HB VAL A 72 -6.183 7.796 -2.375 1.00 4.13 H new ATOM 0 HG11 VAL A 72 -5.388 9.684 -3.820 1.00 4.82 H new ATOM 0 HG12 VAL A 72 -7.019 9.978 -3.171 1.00 4.82 H new ATOM 0 HG13 VAL A 72 -5.613 10.799 -2.451 1.00 4.82 H new ATOM 0 HG21 VAL A 72 -3.761 8.402 -2.608 1.00 5.28 H new ATOM 0 HG22 VAL A 72 -3.908 9.450 -1.177 1.00 5.28 H new ATOM 0 HG23 VAL A 72 -4.123 7.691 -1.017 1.00 5.28 H new