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 25 SER OG : rot 170:sc= 0.948 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -170:sc= 2.38 (180deg=1.12) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.0545 USER MOD Set 2.2: A 17 SER OG : rot 100:sc= 0.518 USER MOD Set 2.3: A 18 CYS SG : rot -110:sc= -0.237 USER MOD Single : A 13 MET CE :methyl -164:sc= -0.501 (180deg=-0.858) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.815 K(o=-0.81,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000941) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 29 HIS : no HE2:sc= -0.177 K(o=-0.18,f=-6.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 80:sc= -1.32 USER MOD Single : A 36 SER OG : rot -30:sc= 0.624 USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.149 USER MOD Single : A 42 ASN : amide:sc= 0.32 K(o=0.32,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= -0.389 (180deg=-3.58!) USER MOD Single : A 45 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-9.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 64 SER OG : rot -34:sc= 0.436 USER MOD Single : A 70 SER OG : rot 75:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.558 -2.176 -4.696 1.00 1.78 N ATOM 47 CA VAL A 5 -8.591 -1.147 -5.029 1.00 1.43 C ATOM 48 C VAL A 5 -8.790 0.065 -4.120 1.00 1.18 C ATOM 49 O VAL A 5 -9.919 0.517 -3.943 1.00 1.49 O ATOM 50 CB VAL A 5 -8.685 -0.806 -6.528 1.00 1.60 C ATOM 51 CG1 VAL A 5 -10.106 -0.460 -6.998 1.00 2.80 C ATOM 52 CG2 VAL A 5 -7.738 0.343 -6.874 1.00 2.14 C ATOM 0 HA VAL A 5 -7.578 -1.508 -4.853 1.00 1.43 H new ATOM 0 HB VAL A 5 -8.392 -1.713 -7.057 1.00 1.60 H new ATOM 0 HG11 VAL A 5 -10.091 -0.232 -8.064 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -10.766 -1.309 -6.818 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -10.471 0.406 -6.446 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -7.816 0.572 -7.937 1.00 2.14 H new ATOM 0 HG22 VAL A 5 -8.008 1.224 -6.292 1.00 2.14 H new ATOM 0 HG23 VAL A 5 -6.714 0.053 -6.640 1.00 2.14 H new ATOM 62 N LEU A 6 -7.700 0.580 -3.539 1.00 0.86 N ATOM 63 CA LEU A 6 -7.659 1.875 -2.873 1.00 0.89 C ATOM 64 C LEU A 6 -6.298 2.506 -3.150 1.00 0.72 C ATOM 65 O LEU A 6 -5.318 1.785 -3.363 1.00 0.65 O ATOM 66 CB LEU A 6 -7.839 1.745 -1.348 1.00 1.40 C ATOM 67 CG LEU A 6 -9.302 1.631 -0.887 1.00 1.94 C ATOM 68 CD1 LEU A 6 -9.705 0.177 -0.626 1.00 2.18 C ATOM 69 CD2 LEU A 6 -9.505 2.431 0.407 1.00 2.99 C ATOM 0 H LEU A 6 -6.805 0.092 -3.522 1.00 0.86 H new ATOM 0 HA LEU A 6 -8.476 2.487 -3.256 1.00 0.89 H new ATOM 0 HB2 LEU A 6 -7.293 0.867 -1.004 1.00 1.40 H new ATOM 0 HB3 LEU A 6 -7.386 2.611 -0.866 1.00 1.40 H new ATOM 0 HG LEU A 6 -9.925 2.028 -1.688 1.00 1.94 H new ATOM 0 HD11 LEU A 6 -10.745 0.140 -0.302 1.00 2.18 H new ATOM 0 HD12 LEU A 6 -9.589 -0.403 -1.542 1.00 2.18 H new ATOM 0 HD13 LEU A 6 -9.068 -0.243 0.152 1.00 2.18 H new ATOM 0 HD21 LEU A 6 -10.543 2.346 0.728 1.00 2.99 H new ATOM 0 HD22 LEU A 6 -8.851 2.037 1.185 1.00 2.99 H new ATOM 0 HD23 LEU A 6 -9.265 3.479 0.228 1.00 2.99 H new ATOM 81 N GLU A 7 -6.241 3.840 -3.083 1.00 0.85 N ATOM 82 CA GLU A 7 -5.002 4.584 -2.980 1.00 0.79 C ATOM 83 C GLU A 7 -4.941 5.116 -1.552 1.00 0.82 C ATOM 84 O GLU A 7 -5.652 6.057 -1.205 1.00 1.38 O ATOM 85 CB GLU A 7 -4.927 5.687 -4.041 1.00 0.99 C ATOM 86 CG GLU A 7 -5.173 5.103 -5.441 1.00 0.87 C ATOM 87 CD GLU A 7 -4.546 5.965 -6.521 1.00 1.64 C ATOM 88 OE1 GLU A 7 -5.196 6.892 -7.033 1.00 2.28 O ATOM 89 OE2 GLU A 7 -3.342 5.784 -6.810 1.00 2.96 O ATOM 0 H GLU A 7 -7.071 4.433 -3.100 1.00 0.85 H new ATOM 0 HA GLU A 7 -4.134 3.955 -3.176 1.00 0.79 H new ATOM 0 HB2 GLU A 7 -5.668 6.457 -3.826 1.00 0.99 H new ATOM 0 HB3 GLU A 7 -3.949 6.167 -4.007 1.00 0.99 H new ATOM 0 HG2 GLU A 7 -4.761 4.095 -5.494 1.00 0.87 H new ATOM 0 HG3 GLU A 7 -6.245 5.019 -5.618 1.00 0.87 H new ATOM 96 N LEU A 8 -4.140 4.462 -0.710 1.00 0.41 N ATOM 97 CA LEU A 8 -3.940 4.863 0.673 1.00 0.47 C ATOM 98 C LEU A 8 -2.695 5.740 0.714 1.00 0.42 C ATOM 99 O LEU A 8 -1.663 5.414 0.132 1.00 0.42 O ATOM 100 CB LEU A 8 -3.868 3.668 1.645 1.00 0.64 C ATOM 101 CG LEU A 8 -3.244 2.405 1.041 1.00 0.70 C ATOM 102 CD1 LEU A 8 -2.566 1.570 2.125 1.00 0.92 C ATOM 103 CD2 LEU A 8 -4.311 1.526 0.372 1.00 1.50 C ATOM 0 H LEU A 8 -3.610 3.632 -0.976 1.00 0.41 H new ATOM 0 HA LEU A 8 -4.804 5.428 1.023 1.00 0.47 H new ATOM 0 HB2 LEU A 8 -3.291 3.961 2.522 1.00 0.64 H new ATOM 0 HB3 LEU A 8 -4.875 3.433 1.990 1.00 0.64 H new ATOM 0 HG LEU A 8 -2.515 2.732 0.300 1.00 0.70 H new ATOM 0 HD11 LEU A 8 -2.129 0.678 1.677 1.00 0.92 H new ATOM 0 HD12 LEU A 8 -1.781 2.159 2.600 1.00 0.92 H new ATOM 0 HD13 LEU A 8 -3.303 1.277 2.873 1.00 0.92 H new ATOM 0 HD21 LEU A 8 -3.840 0.637 -0.048 1.00 1.50 H new ATOM 0 HD22 LEU A 8 -5.053 1.228 1.112 1.00 1.50 H new ATOM 0 HD23 LEU A 8 -4.799 2.088 -0.424 1.00 1.50 H new ATOM 115 N VAL A 9 -2.826 6.887 1.365 1.00 0.44 N ATOM 116 CA VAL A 9 -1.822 7.924 1.437 1.00 0.45 C ATOM 117 C VAL A 9 -0.865 7.554 2.568 1.00 0.41 C ATOM 118 O VAL A 9 -1.198 7.689 3.741 1.00 0.52 O ATOM 119 CB VAL A 9 -2.522 9.280 1.602 1.00 0.63 C ATOM 120 CG1 VAL A 9 -1.503 10.410 1.689 1.00 0.79 C ATOM 121 CG2 VAL A 9 -3.431 9.559 0.400 1.00 1.08 C ATOM 0 H VAL A 9 -3.675 7.125 1.878 1.00 0.44 H new ATOM 0 HA VAL A 9 -1.226 8.011 0.529 1.00 0.45 H new ATOM 0 HB VAL A 9 -3.107 9.236 2.521 1.00 0.63 H new ATOM 0 HG11 VAL A 9 -2.023 11.361 1.806 1.00 0.79 H new ATOM 0 HG12 VAL A 9 -0.850 10.246 2.546 1.00 0.79 H new ATOM 0 HG13 VAL A 9 -0.906 10.432 0.777 1.00 0.79 H new ATOM 0 HG21 VAL A 9 -3.921 10.524 0.531 1.00 1.08 H new ATOM 0 HG22 VAL A 9 -2.834 9.576 -0.512 1.00 1.08 H new ATOM 0 HG23 VAL A 9 -4.186 8.776 0.325 1.00 1.08 H new ATOM 131 N VAL A 10 0.307 7.033 2.209 1.00 0.41 N ATOM 132 CA VAL A 10 1.295 6.482 3.113 1.00 0.40 C ATOM 133 C VAL A 10 2.243 7.594 3.554 1.00 0.41 C ATOM 134 O VAL A 10 3.216 7.898 2.865 1.00 0.55 O ATOM 135 CB VAL A 10 2.028 5.306 2.437 1.00 0.42 C ATOM 136 CG1 VAL A 10 1.197 4.026 2.546 1.00 0.65 C ATOM 137 CG2 VAL A 10 2.347 5.546 0.958 1.00 0.63 C ATOM 0 H VAL A 10 0.600 6.985 1.233 1.00 0.41 H new ATOM 0 HA VAL A 10 0.816 6.082 4.007 1.00 0.40 H new ATOM 0 HB VAL A 10 2.974 5.209 2.969 1.00 0.42 H new ATOM 0 HG11 VAL A 10 1.728 3.205 2.064 1.00 0.65 H new ATOM 0 HG12 VAL A 10 1.035 3.786 3.597 1.00 0.65 H new ATOM 0 HG13 VAL A 10 0.235 4.174 2.055 1.00 0.65 H new ATOM 0 HG21 VAL A 10 2.862 4.676 0.551 1.00 0.63 H new ATOM 0 HG22 VAL A 10 1.420 5.709 0.408 1.00 0.63 H new ATOM 0 HG23 VAL A 10 2.986 6.424 0.861 1.00 0.63 H new ATOM 147 N ARG A 11 1.996 8.193 4.723 1.00 0.43 N ATOM 148 CA ARG A 11 2.914 9.230 5.190 1.00 0.52 C ATOM 149 C ARG A 11 4.173 8.541 5.719 1.00 0.53 C ATOM 150 O ARG A 11 4.116 7.386 6.142 1.00 0.86 O ATOM 151 CB ARG A 11 2.304 10.144 6.263 1.00 0.84 C ATOM 152 CG ARG A 11 0.871 10.629 5.997 1.00 0.98 C ATOM 153 CD ARG A 11 0.667 11.215 4.596 1.00 2.39 C ATOM 154 NE ARG A 11 1.612 12.300 4.281 1.00 4.00 N ATOM 155 CZ ARG A 11 1.900 12.685 3.026 1.00 6.07 C ATOM 156 NH1 ARG A 11 1.129 12.266 2.019 1.00 6.89 N ATOM 157 NH2 ARG A 11 2.961 13.457 2.782 1.00 7.70 N ATOM 0 H ARG A 11 1.207 7.990 5.337 1.00 0.43 H new ATOM 0 HA ARG A 11 3.148 9.884 4.350 1.00 0.52 H new ATOM 0 HB2 ARG A 11 2.316 9.613 7.215 1.00 0.84 H new ATOM 0 HB3 ARG A 11 2.947 11.017 6.377 1.00 0.84 H new ATOM 0 HG2 ARG A 11 0.183 9.795 6.135 1.00 0.98 H new ATOM 0 HG3 ARG A 11 0.609 11.384 6.738 1.00 0.98 H new ATOM 0 HD2 ARG A 11 0.775 10.421 3.857 1.00 2.39 H new ATOM 0 HD3 ARG A 11 -0.352 11.593 4.511 1.00 2.39 H new ATOM 0 HE ARG A 11 2.071 12.783 5.054 1.00 4.00 H new ATOM 0 HH11 ARG A 11 0.330 11.660 2.206 1.00 6.89 H new ATOM 0 HH12 ARG A 11 1.339 12.552 1.063 1.00 6.89 H new ATOM 0 HH21 ARG A 11 3.560 13.759 3.551 1.00 7.70 H new ATOM 0 HH22 ARG A 11 3.173 13.745 1.827 1.00 7.70 H new ATOM 171 N GLY A 12 5.313 9.234 5.631 1.00 0.53 N ATOM 172 CA GLY A 12 6.617 8.721 6.031 1.00 0.57 C ATOM 173 C GLY A 12 7.538 8.495 4.828 1.00 0.50 C ATOM 174 O GLY A 12 8.756 8.569 4.974 1.00 0.74 O ATOM 0 H GLY A 12 5.350 10.188 5.271 1.00 0.53 H new ATOM 0 HA2 GLY A 12 7.087 9.422 6.720 1.00 0.57 H new ATOM 0 HA3 GLY A 12 6.488 7.782 6.570 1.00 0.57 H new ATOM 178 N MET A 13 6.983 8.230 3.637 1.00 0.53 N ATOM 179 CA MET A 13 7.800 7.995 2.452 1.00 0.72 C ATOM 180 C MET A 13 8.570 9.249 2.044 1.00 0.77 C ATOM 181 O MET A 13 8.039 10.077 1.302 1.00 1.18 O ATOM 182 CB MET A 13 6.960 7.547 1.257 1.00 1.39 C ATOM 183 CG MET A 13 6.260 6.204 1.428 1.00 0.86 C ATOM 184 SD MET A 13 5.970 5.384 -0.157 1.00 1.47 S ATOM 185 CE MET A 13 5.242 6.729 -1.123 1.00 1.08 C ATOM 0 H MET A 13 5.977 8.175 3.475 1.00 0.53 H new ATOM 0 HA MET A 13 8.497 7.202 2.724 1.00 0.72 H new ATOM 0 HB2 MET A 13 6.207 8.309 1.055 1.00 1.39 H new ATOM 0 HB3 MET A 13 7.604 7.495 0.379 1.00 1.39 H new ATOM 0 HG2 MET A 13 6.865 5.558 2.065 1.00 0.86 H new ATOM 0 HG3 MET A 13 5.308 6.354 1.938 1.00 0.86 H new ATOM 0 HE1 MET A 13 4.755 6.319 -2.008 1.00 1.08 H new ATOM 0 HE2 MET A 13 4.507 7.257 -0.516 1.00 1.08 H new ATOM 0 HE3 MET A 13 6.025 7.423 -1.428 1.00 1.08 H new ATOM 195 N THR A 14 9.818 9.375 2.492 1.00 1.11 N ATOM 196 CA THR A 14 10.674 10.493 2.128 1.00 1.46 C ATOM 197 C THR A 14 11.253 10.322 0.714 1.00 1.11 C ATOM 198 O THR A 14 11.351 11.305 -0.020 1.00 1.20 O ATOM 199 CB THR A 14 11.725 10.738 3.229 1.00 1.93 C ATOM 200 OG1 THR A 14 12.393 11.961 3.000 1.00 2.59 O ATOM 201 CG2 THR A 14 12.766 9.627 3.370 1.00 2.27 C ATOM 0 H THR A 14 10.261 8.702 3.118 1.00 1.11 H new ATOM 0 HA THR A 14 10.080 11.405 2.071 1.00 1.46 H new ATOM 0 HB THR A 14 11.163 10.761 4.163 1.00 1.93 H new ATOM 0 HG1 THR A 14 13.057 12.108 3.705 1.00 2.59 H new ATOM 0 HG21 THR A 14 13.465 9.882 4.167 1.00 2.27 H new ATOM 0 HG22 THR A 14 12.266 8.689 3.612 1.00 2.27 H new ATOM 0 HG23 THR A 14 13.310 9.517 2.432 1.00 2.27 H new ATOM 209 N CYS A 15 11.636 9.100 0.309 1.00 0.97 N ATOM 210 CA CYS A 15 12.420 8.895 -0.907 1.00 0.91 C ATOM 211 C CYS A 15 12.173 7.519 -1.529 1.00 0.89 C ATOM 212 O CYS A 15 11.489 6.673 -0.954 1.00 0.83 O ATOM 213 CB CYS A 15 13.902 9.080 -0.558 1.00 0.87 C ATOM 214 SG CYS A 15 14.573 7.775 0.504 1.00 1.04 S ATOM 0 H CYS A 15 11.412 8.241 0.811 1.00 0.97 H new ATOM 0 HA CYS A 15 12.113 9.626 -1.655 1.00 0.91 H new ATOM 0 HB2 CYS A 15 14.481 9.118 -1.481 1.00 0.87 H new ATOM 0 HB3 CYS A 15 14.031 10.042 -0.061 1.00 0.87 H new ATOM 0 HG CYS A 15 15.828 8.013 0.744 1.00 1.04 H new ATOM 219 N ALA A 16 12.769 7.293 -2.706 1.00 0.96 N ATOM 220 CA ALA A 16 12.686 6.048 -3.466 1.00 1.00 C ATOM 221 C ALA A 16 12.939 4.818 -2.590 1.00 0.88 C ATOM 222 O ALA A 16 12.278 3.791 -2.747 1.00 0.87 O ATOM 223 CB ALA A 16 13.684 6.094 -4.626 1.00 1.13 C ATOM 0 H ALA A 16 13.342 7.999 -3.168 1.00 0.96 H new ATOM 0 HA ALA A 16 11.672 5.956 -3.854 1.00 1.00 H new ATOM 0 HB1 ALA A 16 13.624 5.166 -5.195 1.00 1.13 H new ATOM 0 HB2 ALA A 16 13.446 6.935 -5.278 1.00 1.13 H new ATOM 0 HB3 ALA A 16 14.694 6.214 -4.233 1.00 1.13 H new ATOM 229 N SER A 17 13.891 4.930 -1.660 1.00 0.82 N ATOM 230 CA SER A 17 14.204 3.889 -0.700 1.00 0.74 C ATOM 231 C SER A 17 12.951 3.413 0.036 1.00 0.67 C ATOM 232 O SER A 17 12.784 2.217 0.262 1.00 0.74 O ATOM 233 CB SER A 17 15.262 4.405 0.275 1.00 0.77 C ATOM 234 OG SER A 17 16.255 5.111 -0.450 1.00 1.86 O ATOM 0 H SER A 17 14.471 5.763 -1.558 1.00 0.82 H new ATOM 0 HA SER A 17 14.602 3.025 -1.231 1.00 0.74 H new ATOM 0 HB2 SER A 17 14.803 5.058 1.017 1.00 0.77 H new ATOM 0 HB3 SER A 17 15.712 3.573 0.817 1.00 0.77 H new ATOM 0 HG SER A 17 16.094 6.075 -0.372 1.00 1.86 H new ATOM 240 N CYS A 18 12.070 4.345 0.411 1.00 0.61 N ATOM 241 CA CYS A 18 10.804 4.027 1.043 1.00 0.62 C ATOM 242 C CYS A 18 9.861 3.367 0.036 1.00 0.62 C ATOM 243 O CYS A 18 9.258 2.335 0.329 1.00 0.64 O ATOM 244 CB CYS A 18 10.184 5.306 1.605 1.00 0.67 C ATOM 245 SG CYS A 18 11.229 6.202 2.787 1.00 0.84 S ATOM 0 H CYS A 18 12.224 5.345 0.280 1.00 0.61 H new ATOM 0 HA CYS A 18 10.972 3.325 1.860 1.00 0.62 H new ATOM 0 HB2 CYS A 18 9.944 5.972 0.776 1.00 0.67 H new ATOM 0 HB3 CYS A 18 9.243 5.053 2.093 1.00 0.67 H new ATOM 0 HG CYS A 18 10.715 6.109 3.978 1.00 0.84 H new ATOM 250 N VAL A 19 9.745 3.971 -1.150 1.00 0.68 N ATOM 251 CA VAL A 19 8.830 3.531 -2.197 1.00 0.73 C ATOM 252 C VAL A 19 9.033 2.045 -2.438 1.00 0.68 C ATOM 253 O VAL A 19 8.110 1.242 -2.295 1.00 0.64 O ATOM 254 CB VAL A 19 9.067 4.321 -3.498 1.00 0.86 C ATOM 255 CG1 VAL A 19 8.097 3.902 -4.608 1.00 1.05 C ATOM 256 CG2 VAL A 19 8.909 5.819 -3.256 1.00 0.89 C ATOM 0 H VAL A 19 10.294 4.791 -1.410 1.00 0.68 H new ATOM 0 HA VAL A 19 7.804 3.715 -1.877 1.00 0.73 H new ATOM 0 HB VAL A 19 10.085 4.097 -3.817 1.00 0.86 H new ATOM 0 HG11 VAL A 19 8.300 4.484 -5.507 1.00 1.05 H new ATOM 0 HG12 VAL A 19 8.228 2.842 -4.825 1.00 1.05 H new ATOM 0 HG13 VAL A 19 7.072 4.082 -4.283 1.00 1.05 H new ATOM 0 HG21 VAL A 19 9.081 6.358 -4.188 1.00 0.89 H new ATOM 0 HG22 VAL A 19 7.900 6.025 -2.898 1.00 0.89 H new ATOM 0 HG23 VAL A 19 9.633 6.145 -2.509 1.00 0.89 H new ATOM 266 N HIS A 20 10.265 1.681 -2.796 1.00 0.72 N ATOM 267 CA HIS A 20 10.569 0.316 -3.128 1.00 0.73 C ATOM 268 C HIS A 20 10.457 -0.600 -1.907 1.00 0.66 C ATOM 269 O HIS A 20 10.161 -1.780 -2.074 1.00 0.66 O ATOM 270 CB HIS A 20 11.872 0.251 -3.931 1.00 0.84 C ATOM 271 CG HIS A 20 13.175 0.664 -3.288 1.00 0.86 C ATOM 272 ND1 HIS A 20 14.267 1.130 -3.988 1.00 0.98 N ATOM 273 CD2 HIS A 20 13.604 0.386 -2.018 1.00 0.79 C ATOM 274 CE1 HIS A 20 15.322 1.131 -3.156 1.00 0.99 C ATOM 275 NE2 HIS A 20 14.970 0.673 -1.945 1.00 0.87 N ATOM 0 H HIS A 20 11.057 2.321 -2.859 1.00 0.72 H new ATOM 0 HA HIS A 20 9.816 -0.095 -3.800 1.00 0.73 H new ATOM 0 HB2 HIS A 20 11.991 -0.777 -4.274 1.00 0.84 H new ATOM 0 HB3 HIS A 20 11.738 0.870 -4.818 1.00 0.84 H new ATOM 0 HD2 HIS A 20 12.992 0.010 -1.211 1.00 0.79 H new ATOM 0 HE1 HIS A 20 16.316 1.456 -3.425 1.00 0.99 H new ATOM 0 HE2 HIS A 20 15.577 0.557 -1.134 1.00 0.87 H new ATOM 283 N LYS A 21 10.618 -0.073 -0.684 1.00 0.65 N ATOM 284 CA LYS A 21 10.348 -0.812 0.537 1.00 0.65 C ATOM 285 C LYS A 21 8.905 -1.299 0.492 1.00 0.50 C ATOM 286 O LYS A 21 8.645 -2.499 0.607 1.00 0.54 O ATOM 287 CB LYS A 21 10.573 0.086 1.768 1.00 0.82 C ATOM 288 CG LYS A 21 11.315 -0.642 2.883 1.00 1.06 C ATOM 289 CD LYS A 21 11.300 0.239 4.144 1.00 1.84 C ATOM 290 CE LYS A 21 12.110 -0.348 5.306 1.00 2.48 C ATOM 291 NZ LYS A 21 13.563 -0.327 5.042 1.00 3.33 N ATOM 0 H LYS A 21 10.941 0.881 -0.524 1.00 0.65 H new ATOM 0 HA LYS A 21 11.025 -1.662 0.615 1.00 0.65 H new ATOM 0 HB2 LYS A 21 11.140 0.969 1.473 1.00 0.82 H new ATOM 0 HB3 LYS A 21 9.611 0.435 2.142 1.00 0.82 H new ATOM 0 HG2 LYS A 21 10.841 -1.602 3.088 1.00 1.06 H new ATOM 0 HG3 LYS A 21 12.341 -0.851 2.580 1.00 1.06 H new ATOM 0 HD2 LYS A 21 11.696 1.223 3.895 1.00 1.84 H new ATOM 0 HD3 LYS A 21 10.269 0.383 4.466 1.00 1.84 H new ATOM 0 HE2 LYS A 21 11.900 0.216 6.214 1.00 2.48 H new ATOM 0 HE3 LYS A 21 11.790 -1.374 5.487 1.00 2.48 H new ATOM 0 HZ1 LYS A 21 14.070 -0.718 5.861 1.00 3.33 H new ATOM 0 HZ2 LYS A 21 13.771 -0.901 4.200 1.00 3.33 H new ATOM 0 HZ3 LYS A 21 13.872 0.652 4.878 1.00 3.33 H new ATOM 305 N ILE A 22 7.971 -0.356 0.320 1.00 0.45 N ATOM 306 CA ILE A 22 6.560 -0.695 0.288 1.00 0.39 C ATOM 307 C ILE A 22 6.323 -1.642 -0.884 1.00 0.37 C ATOM 308 O ILE A 22 5.874 -2.765 -0.679 1.00 0.40 O ATOM 309 CB ILE A 22 5.635 0.540 0.224 1.00 0.51 C ATOM 310 CG1 ILE A 22 6.171 1.714 1.055 1.00 0.48 C ATOM 311 CG2 ILE A 22 4.224 0.119 0.651 1.00 0.95 C ATOM 312 CD1 ILE A 22 5.097 2.623 1.659 1.00 0.80 C ATOM 0 H ILE A 22 8.173 0.637 0.203 1.00 0.45 H new ATOM 0 HA ILE A 22 6.301 -1.186 1.226 1.00 0.39 H new ATOM 0 HB ILE A 22 5.602 0.908 -0.801 1.00 0.51 H new ATOM 0 HG12 ILE A 22 6.786 1.317 1.863 1.00 0.48 H new ATOM 0 HG13 ILE A 22 6.824 2.318 0.425 1.00 0.48 H new ATOM 0 HG21 ILE A 22 3.559 0.982 0.611 1.00 0.95 H new ATOM 0 HG22 ILE A 22 3.856 -0.655 -0.023 1.00 0.95 H new ATOM 0 HG23 ILE A 22 4.253 -0.270 1.669 1.00 0.95 H new ATOM 0 HD11 ILE A 22 5.574 3.422 2.227 1.00 0.80 H new ATOM 0 HD12 ILE A 22 4.495 3.056 0.860 1.00 0.80 H new ATOM 0 HD13 ILE A 22 4.456 2.040 2.320 1.00 0.80 H new ATOM 324 N GLU A 23 6.652 -1.204 -2.102 1.00 0.45 N ATOM 325 CA GLU A 23 6.305 -1.935 -3.312 1.00 0.54 C ATOM 326 C GLU A 23 6.844 -3.365 -3.250 1.00 0.57 C ATOM 327 O GLU A 23 6.082 -4.328 -3.359 1.00 0.59 O ATOM 328 CB GLU A 23 6.785 -1.166 -4.558 1.00 0.75 C ATOM 329 CG GLU A 23 5.779 -1.278 -5.714 1.00 1.51 C ATOM 330 CD GLU A 23 5.895 -0.109 -6.684 1.00 1.63 C ATOM 331 OE1 GLU A 23 6.973 0.003 -7.304 1.00 2.00 O ATOM 332 OE2 GLU A 23 4.911 0.662 -6.762 1.00 2.95 O ATOM 0 H GLU A 23 7.163 -0.338 -2.271 1.00 0.45 H new ATOM 0 HA GLU A 23 5.221 -2.015 -3.388 1.00 0.54 H new ATOM 0 HB2 GLU A 23 6.933 -0.116 -4.304 1.00 0.75 H new ATOM 0 HB3 GLU A 23 7.752 -1.556 -4.877 1.00 0.75 H new ATOM 0 HG2 GLU A 23 5.945 -2.212 -6.250 1.00 1.51 H new ATOM 0 HG3 GLU A 23 4.767 -1.317 -5.312 1.00 1.51 H new ATOM 339 N SER A 24 8.152 -3.507 -3.015 1.00 0.64 N ATOM 340 CA SER A 24 8.799 -4.805 -2.914 1.00 0.74 C ATOM 341 C SER A 24 8.142 -5.639 -1.815 1.00 0.69 C ATOM 342 O SER A 24 7.811 -6.805 -2.029 1.00 0.83 O ATOM 343 CB SER A 24 10.303 -4.629 -2.659 1.00 0.85 C ATOM 344 OG SER A 24 10.975 -5.870 -2.735 1.00 1.32 O ATOM 0 H SER A 24 8.788 -2.719 -2.890 1.00 0.64 H new ATOM 0 HA SER A 24 8.678 -5.339 -3.857 1.00 0.74 H new ATOM 0 HB2 SER A 24 10.722 -3.938 -3.391 1.00 0.85 H new ATOM 0 HB3 SER A 24 10.460 -4.185 -1.676 1.00 0.85 H new ATOM 0 HG SER A 24 11.932 -5.735 -2.571 1.00 1.32 H new ATOM 350 N SER A 25 7.941 -5.065 -0.623 1.00 0.57 N ATOM 351 CA SER A 25 7.455 -5.880 0.475 1.00 0.65 C ATOM 352 C SER A 25 5.999 -6.301 0.251 1.00 0.62 C ATOM 353 O SER A 25 5.613 -7.406 0.636 1.00 0.73 O ATOM 354 CB SER A 25 7.692 -5.211 1.827 1.00 0.73 C ATOM 355 OG SER A 25 7.637 -6.194 2.854 1.00 1.17 O ATOM 0 H SER A 25 8.102 -4.081 -0.407 1.00 0.57 H new ATOM 0 HA SER A 25 8.039 -6.800 0.497 1.00 0.65 H new ATOM 0 HB2 SER A 25 8.662 -4.714 1.835 1.00 0.73 H new ATOM 0 HB3 SER A 25 6.939 -4.443 2.002 1.00 0.73 H new ATOM 0 HG SER A 25 7.945 -5.803 3.698 1.00 1.17 H new ATOM 361 N LEU A 26 5.195 -5.445 -0.374 1.00 0.56 N ATOM 362 CA LEU A 26 3.825 -5.769 -0.728 1.00 0.63 C ATOM 363 C LEU A 26 3.788 -6.871 -1.783 1.00 0.72 C ATOM 364 O LEU A 26 3.063 -7.850 -1.602 1.00 0.84 O ATOM 365 CB LEU A 26 3.096 -4.511 -1.207 1.00 0.60 C ATOM 366 CG LEU A 26 2.337 -3.800 -0.078 1.00 0.73 C ATOM 367 CD1 LEU A 26 3.183 -3.484 1.164 1.00 2.42 C ATOM 368 CD2 LEU A 26 1.699 -2.528 -0.642 1.00 2.49 C ATOM 0 H LEU A 26 5.481 -4.505 -0.648 1.00 0.56 H new ATOM 0 HA LEU A 26 3.310 -6.144 0.156 1.00 0.63 H new ATOM 0 HB2 LEU A 26 3.818 -3.822 -1.644 1.00 0.60 H new ATOM 0 HB3 LEU A 26 2.395 -4.781 -1.997 1.00 0.60 H new ATOM 0 HG LEU A 26 1.576 -4.494 0.279 1.00 0.73 H new ATOM 0 HD11 LEU A 26 2.564 -2.983 1.908 1.00 2.42 H new ATOM 0 HD12 LEU A 26 3.575 -4.411 1.583 1.00 2.42 H new ATOM 0 HD13 LEU A 26 4.012 -2.834 0.884 1.00 2.42 H new ATOM 0 HD21 LEU A 26 1.156 -2.012 0.149 1.00 2.49 H new ATOM 0 HD22 LEU A 26 2.477 -1.874 -1.034 1.00 2.49 H new ATOM 0 HD23 LEU A 26 1.009 -2.792 -1.443 1.00 2.49 H new ATOM 380 N THR A 27 4.549 -6.720 -2.876 1.00 0.75 N ATOM 381 CA THR A 27 4.568 -7.664 -3.994 1.00 0.96 C ATOM 382 C THR A 27 5.254 -8.995 -3.628 1.00 1.30 C ATOM 383 O THR A 27 6.255 -9.393 -4.215 1.00 2.02 O ATOM 384 CB THR A 27 5.153 -7.010 -5.260 1.00 1.17 C ATOM 385 OG1 THR A 27 6.440 -6.474 -5.038 1.00 1.77 O ATOM 386 CG2 THR A 27 4.246 -5.887 -5.772 1.00 1.58 C ATOM 0 H THR A 27 5.176 -5.926 -3.007 1.00 0.75 H new ATOM 0 HA THR A 27 3.535 -7.926 -4.222 1.00 0.96 H new ATOM 0 HB THR A 27 5.223 -7.804 -6.004 1.00 1.17 H new ATOM 0 HG1 THR A 27 6.361 -5.620 -4.563 1.00 1.77 H new ATOM 0 HG21 THR A 27 4.685 -5.444 -6.666 1.00 1.58 H new ATOM 0 HG22 THR A 27 3.264 -6.294 -6.013 1.00 1.58 H new ATOM 0 HG23 THR A 27 4.143 -5.123 -5.002 1.00 1.58 H new ATOM 394 N LYS A 28 4.657 -9.713 -2.677 1.00 1.23 N ATOM 395 CA LYS A 28 5.007 -11.064 -2.267 1.00 1.54 C ATOM 396 C LYS A 28 3.899 -11.678 -1.407 1.00 1.29 C ATOM 397 O LYS A 28 3.662 -12.880 -1.507 1.00 1.42 O ATOM 398 CB LYS A 28 6.376 -11.141 -1.567 1.00 2.09 C ATOM 399 CG LYS A 28 6.603 -10.103 -0.459 1.00 2.15 C ATOM 400 CD LYS A 28 7.722 -10.594 0.476 1.00 2.78 C ATOM 401 CE LYS A 28 8.307 -9.492 1.374 1.00 3.61 C ATOM 402 NZ LYS A 28 7.277 -8.784 2.166 1.00 3.79 N ATOM 0 H LYS A 28 3.871 -9.341 -2.144 1.00 1.23 H new ATOM 0 HA LYS A 28 5.100 -11.656 -3.177 1.00 1.54 H new ATOM 0 HB2 LYS A 28 6.492 -12.137 -1.139 1.00 2.09 H new ATOM 0 HB3 LYS A 28 7.157 -11.024 -2.318 1.00 2.09 H new ATOM 0 HG2 LYS A 28 6.874 -9.142 -0.895 1.00 2.15 H new ATOM 0 HG3 LYS A 28 5.683 -9.949 0.105 1.00 2.15 H new ATOM 0 HD2 LYS A 28 7.332 -11.394 1.105 1.00 2.78 H new ATOM 0 HD3 LYS A 28 8.523 -11.023 -0.125 1.00 2.78 H new ATOM 0 HE2 LYS A 28 9.039 -9.933 2.051 1.00 3.61 H new ATOM 0 HE3 LYS A 28 8.840 -8.771 0.754 1.00 3.61 H new ATOM 0 HZ1 LYS A 28 7.701 -7.949 2.619 1.00 3.79 H new ATOM 0 HZ2 LYS A 28 6.503 -8.483 1.539 1.00 3.79 H new ATOM 0 HZ3 LYS A 28 6.902 -9.422 2.897 1.00 3.79 H new ATOM 416 N HIS A 29 3.222 -10.898 -0.552 1.00 1.13 N ATOM 417 CA HIS A 29 2.143 -11.468 0.244 1.00 1.25 C ATOM 418 C HIS A 29 0.999 -11.894 -0.676 1.00 1.02 C ATOM 419 O HIS A 29 0.589 -11.134 -1.555 1.00 1.31 O ATOM 420 CB HIS A 29 1.686 -10.523 1.366 1.00 1.56 C ATOM 421 CG HIS A 29 0.795 -9.371 0.975 1.00 1.00 C ATOM 422 ND1 HIS A 29 -0.548 -9.463 0.675 1.00 1.57 N ATOM 423 CD2 HIS A 29 1.081 -8.047 1.167 1.00 0.85 C ATOM 424 CE1 HIS A 29 -1.045 -8.216 0.658 1.00 2.09 C ATOM 425 NE2 HIS A 29 -0.094 -7.319 0.964 1.00 1.64 N ATOM 0 H HIS A 29 3.399 -9.905 -0.401 1.00 1.13 H new ATOM 0 HA HIS A 29 2.516 -12.356 0.754 1.00 1.25 H new ATOM 0 HB2 HIS A 29 1.162 -11.116 2.115 1.00 1.56 H new ATOM 0 HB3 HIS A 29 2.575 -10.115 1.847 1.00 1.56 H new ATOM 0 HD1 HIS A 29 -1.069 -10.322 0.498 1.00 1.57 H new ATOM 0 HD2 HIS A 29 2.045 -7.637 1.429 1.00 0.85 H new ATOM 0 HE1 HIS A 29 -2.071 -7.968 0.429 1.00 2.09 H new ATOM 433 N ARG A 30 0.471 -13.104 -0.467 1.00 1.01 N ATOM 434 CA ARG A 30 -0.720 -13.540 -1.176 1.00 1.05 C ATOM 435 C ARG A 30 -1.813 -12.486 -0.986 1.00 1.31 C ATOM 436 O ARG A 30 -1.925 -11.883 0.083 1.00 2.68 O ATOM 437 CB ARG A 30 -1.171 -14.925 -0.680 1.00 1.35 C ATOM 438 CG ARG A 30 -2.433 -15.385 -1.425 1.00 2.34 C ATOM 439 CD ARG A 30 -2.930 -16.767 -0.992 1.00 2.83 C ATOM 440 NE ARG A 30 -4.253 -17.028 -1.590 1.00 4.34 N ATOM 441 CZ ARG A 30 -5.085 -18.025 -1.249 1.00 5.26 C ATOM 442 NH1 ARG A 30 -4.671 -18.976 -0.404 1.00 4.97 N ATOM 443 NH2 ARG A 30 -6.324 -18.061 -1.754 1.00 6.95 N ATOM 0 H ARG A 30 0.852 -13.790 0.185 1.00 1.01 H new ATOM 0 HA ARG A 30 -0.506 -13.641 -2.240 1.00 1.05 H new ATOM 0 HB2 ARG A 30 -0.370 -15.649 -0.830 1.00 1.35 H new ATOM 0 HB3 ARG A 30 -1.369 -14.886 0.391 1.00 1.35 H new ATOM 0 HG2 ARG A 30 -3.227 -14.655 -1.263 1.00 2.34 H new ATOM 0 HG3 ARG A 30 -2.228 -15.401 -2.495 1.00 2.34 H new ATOM 0 HD2 ARG A 30 -2.221 -17.534 -1.305 1.00 2.83 H new ATOM 0 HD3 ARG A 30 -2.995 -16.817 0.095 1.00 2.83 H new ATOM 0 HE ARG A 30 -4.563 -16.395 -2.328 1.00 4.34 H new ATOM 0 HH11 ARG A 30 -3.726 -18.942 -0.021 1.00 4.97 H new ATOM 0 HH12 ARG A 30 -5.300 -19.735 -0.143 1.00 4.97 H new ATOM 0 HH21 ARG A 30 -6.634 -17.332 -2.396 1.00 6.95 H new ATOM 0 HH22 ARG A 30 -6.958 -18.817 -1.496 1.00 6.95 H new ATOM 457 N GLY A 31 -2.608 -12.258 -2.028 1.00 0.68 N ATOM 458 CA GLY A 31 -3.763 -11.385 -1.957 1.00 0.80 C ATOM 459 C GLY A 31 -3.509 -10.051 -2.634 1.00 0.62 C ATOM 460 O GLY A 31 -4.441 -9.516 -3.227 1.00 0.65 O ATOM 0 H GLY A 31 -2.464 -12.678 -2.946 1.00 0.68 H new ATOM 0 HA2 GLY A 31 -4.616 -11.874 -2.427 1.00 0.80 H new ATOM 0 HA3 GLY A 31 -4.027 -11.217 -0.913 1.00 0.80 H new ATOM 464 N ILE A 32 -2.281 -9.515 -2.619 1.00 0.61 N ATOM 465 CA ILE A 32 -2.035 -8.320 -3.415 1.00 0.53 C ATOM 466 C ILE A 32 -1.887 -8.746 -4.873 1.00 0.61 C ATOM 467 O ILE A 32 -1.145 -9.672 -5.195 1.00 0.79 O ATOM 468 CB ILE A 32 -0.872 -7.471 -2.862 1.00 0.50 C ATOM 469 CG1 ILE A 32 -1.489 -6.150 -2.365 1.00 0.80 C ATOM 470 CG2 ILE A 32 0.253 -7.196 -3.873 1.00 0.95 C ATOM 471 CD1 ILE A 32 -0.469 -5.254 -1.677 1.00 2.01 C ATOM 0 H ILE A 32 -1.484 -9.872 -2.092 1.00 0.61 H new ATOM 0 HA ILE A 32 -2.883 -7.638 -3.352 1.00 0.53 H new ATOM 0 HB ILE A 32 -0.385 -8.031 -2.063 1.00 0.50 H new ATOM 0 HG12 ILE A 32 -1.926 -5.616 -3.209 1.00 0.80 H new ATOM 0 HG13 ILE A 32 -2.301 -6.370 -1.672 1.00 0.80 H new ATOM 0 HG21 ILE A 32 1.028 -6.593 -3.400 1.00 0.95 H new ATOM 0 HG22 ILE A 32 0.681 -8.141 -4.207 1.00 0.95 H new ATOM 0 HG23 ILE A 32 -0.152 -6.658 -4.730 1.00 0.95 H new ATOM 0 HD11 ILE A 32 -0.955 -4.336 -1.346 1.00 2.01 H new ATOM 0 HD12 ILE A 32 -0.050 -5.774 -0.815 1.00 2.01 H new ATOM 0 HD13 ILE A 32 0.330 -5.009 -2.376 1.00 2.01 H new ATOM 483 N LEU A 33 -2.657 -8.090 -5.737 1.00 0.65 N ATOM 484 CA LEU A 33 -2.712 -8.342 -7.161 1.00 0.86 C ATOM 485 C LEU A 33 -1.718 -7.416 -7.856 1.00 0.84 C ATOM 486 O LEU A 33 -0.971 -7.860 -8.724 1.00 0.97 O ATOM 487 CB LEU A 33 -4.143 -8.113 -7.668 1.00 1.15 C ATOM 488 CG LEU A 33 -5.206 -8.937 -6.922 1.00 1.81 C ATOM 489 CD1 LEU A 33 -6.602 -8.529 -7.407 1.00 2.87 C ATOM 490 CD2 LEU A 33 -5.014 -10.445 -7.114 1.00 2.24 C ATOM 0 H LEU A 33 -3.282 -7.339 -5.445 1.00 0.65 H new ATOM 0 HA LEU A 33 -2.443 -9.375 -7.381 1.00 0.86 H new ATOM 0 HB2 LEU A 33 -4.386 -7.055 -7.575 1.00 1.15 H new ATOM 0 HB3 LEU A 33 -4.186 -8.358 -8.729 1.00 1.15 H new ATOM 0 HG LEU A 33 -5.098 -8.728 -5.858 1.00 1.81 H new ATOM 0 HD11 LEU A 33 -7.356 -9.113 -6.879 1.00 2.87 H new ATOM 0 HD12 LEU A 33 -6.760 -7.469 -7.210 1.00 2.87 H new ATOM 0 HD13 LEU A 33 -6.684 -8.715 -8.478 1.00 2.87 H new ATOM 0 HD21 LEU A 33 -5.789 -10.983 -6.568 1.00 2.24 H new ATOM 0 HD22 LEU A 33 -5.082 -10.688 -8.174 1.00 2.24 H new ATOM 0 HD23 LEU A 33 -4.034 -10.738 -6.736 1.00 2.24 H new ATOM 502 N TYR A 34 -1.703 -6.129 -7.484 1.00 0.76 N ATOM 503 CA TYR A 34 -0.754 -5.175 -8.037 1.00 0.84 C ATOM 504 C TYR A 34 -0.566 -4.018 -7.058 1.00 0.71 C ATOM 505 O TYR A 34 -1.382 -3.832 -6.150 1.00 0.74 O ATOM 506 CB TYR A 34 -1.238 -4.707 -9.419 1.00 1.04 C ATOM 507 CG TYR A 34 -0.292 -3.778 -10.155 1.00 1.18 C ATOM 508 CD1 TYR A 34 0.993 -4.225 -10.515 1.00 1.77 C ATOM 509 CD2 TYR A 34 -0.691 -2.469 -10.482 1.00 2.18 C ATOM 510 CE1 TYR A 34 1.887 -3.355 -11.161 1.00 1.96 C ATOM 511 CE2 TYR A 34 0.173 -1.629 -11.203 1.00 2.31 C ATOM 512 CZ TYR A 34 1.479 -2.052 -11.496 1.00 1.64 C ATOM 513 OH TYR A 34 2.331 -1.206 -12.141 1.00 1.94 O ATOM 0 H TYR A 34 -2.344 -5.731 -6.798 1.00 0.76 H new ATOM 0 HA TYR A 34 0.220 -5.644 -8.178 1.00 0.84 H new ATOM 0 HB2 TYR A 34 -1.416 -5.585 -10.040 1.00 1.04 H new ATOM 0 HB3 TYR A 34 -2.197 -4.202 -9.299 1.00 1.04 H new ATOM 0 HD1 TYR A 34 1.292 -5.239 -10.294 1.00 1.77 H new ATOM 0 HD2 TYR A 34 -1.663 -2.110 -10.178 1.00 2.18 H new ATOM 0 HE1 TYR A 34 2.887 -3.687 -11.400 1.00 1.96 H new ATOM 0 HE2 TYR A 34 -0.167 -0.658 -11.532 1.00 2.31 H new ATOM 0 HH TYR A 34 1.885 -0.347 -12.295 1.00 1.94 H new ATOM 523 N CYS A 35 0.506 -3.243 -7.250 1.00 0.95 N ATOM 524 CA CYS A 35 0.825 -2.078 -6.441 1.00 0.81 C ATOM 525 C CYS A 35 1.248 -0.946 -7.361 1.00 1.06 C ATOM 526 O CYS A 35 1.745 -1.199 -8.460 1.00 1.65 O ATOM 527 CB CYS A 35 1.958 -2.347 -5.444 1.00 0.96 C ATOM 528 SG CYS A 35 1.587 -3.774 -4.417 1.00 2.69 S ATOM 0 H CYS A 35 1.186 -3.418 -7.990 1.00 0.95 H new ATOM 0 HA CYS A 35 -0.066 -1.819 -5.869 1.00 0.81 H new ATOM 0 HB2 CYS A 35 2.890 -2.515 -5.984 1.00 0.96 H new ATOM 0 HB3 CYS A 35 2.109 -1.470 -4.814 1.00 0.96 H new ATOM 0 HG CYS A 35 1.848 -4.863 -5.077 1.00 2.69 H new ATOM 534 N SER A 36 1.077 0.295 -6.911 1.00 0.75 N ATOM 535 CA SER A 36 1.760 1.445 -7.490 1.00 1.10 C ATOM 536 C SER A 36 1.963 2.480 -6.386 1.00 0.76 C ATOM 537 O SER A 36 1.026 3.207 -6.056 1.00 0.87 O ATOM 538 CB SER A 36 0.982 2.025 -8.684 1.00 1.66 C ATOM 539 OG SER A 36 0.488 1.001 -9.523 1.00 2.84 O ATOM 0 H SER A 36 0.460 0.530 -6.134 1.00 0.75 H new ATOM 0 HA SER A 36 2.728 1.139 -7.886 1.00 1.10 H new ATOM 0 HB2 SER A 36 0.152 2.631 -8.320 1.00 1.66 H new ATOM 0 HB3 SER A 36 1.632 2.686 -9.258 1.00 1.66 H new ATOM 0 HG SER A 36 1.092 0.230 -9.489 1.00 2.84 H new ATOM 545 N VAL A 37 3.147 2.524 -5.774 1.00 0.60 N ATOM 546 CA VAL A 37 3.456 3.476 -4.716 1.00 0.45 C ATOM 547 C VAL A 37 4.295 4.637 -5.269 1.00 0.49 C ATOM 548 O VAL A 37 5.185 4.430 -6.090 1.00 0.71 O ATOM 549 CB VAL A 37 4.013 2.712 -3.500 1.00 0.68 C ATOM 550 CG1 VAL A 37 5.088 1.700 -3.879 1.00 1.61 C ATOM 551 CG2 VAL A 37 4.545 3.615 -2.398 1.00 1.19 C ATOM 0 H VAL A 37 3.919 1.897 -6.002 1.00 0.60 H new ATOM 0 HA VAL A 37 2.567 3.979 -4.336 1.00 0.45 H new ATOM 0 HB VAL A 37 3.146 2.180 -3.108 1.00 0.68 H new ATOM 0 HG11 VAL A 37 5.443 1.193 -2.982 1.00 1.61 H new ATOM 0 HG12 VAL A 37 4.670 0.967 -4.569 1.00 1.61 H new ATOM 0 HG13 VAL A 37 5.921 2.216 -4.357 1.00 1.61 H new ATOM 0 HG21 VAL A 37 4.920 3.004 -1.576 1.00 1.19 H new ATOM 0 HG22 VAL A 37 5.354 4.231 -2.791 1.00 1.19 H new ATOM 0 HG23 VAL A 37 3.743 4.258 -2.036 1.00 1.19 H new ATOM 561 N ALA A 38 3.954 5.879 -4.891 1.00 0.51 N ATOM 562 CA ALA A 38 4.463 7.091 -5.521 1.00 0.56 C ATOM 563 C ALA A 38 4.572 8.257 -4.540 1.00 0.58 C ATOM 564 O ALA A 38 3.649 8.542 -3.779 1.00 0.57 O ATOM 565 CB ALA A 38 3.588 7.479 -6.714 1.00 0.72 C ATOM 0 H ALA A 38 3.306 6.064 -4.126 1.00 0.51 H new ATOM 0 HA ALA A 38 5.472 6.871 -5.870 1.00 0.56 H new ATOM 0 HB1 ALA A 38 3.981 8.386 -7.174 1.00 0.72 H new ATOM 0 HB2 ALA A 38 3.591 6.671 -7.445 1.00 0.72 H new ATOM 0 HB3 ALA A 38 2.568 7.657 -6.374 1.00 0.72 H new ATOM 571 N LEU A 39 5.706 8.957 -4.612 1.00 0.70 N ATOM 572 CA LEU A 39 6.069 10.082 -3.759 1.00 0.82 C ATOM 573 C LEU A 39 5.201 11.298 -4.058 1.00 0.93 C ATOM 574 O LEU A 39 4.951 12.085 -3.152 1.00 0.91 O ATOM 575 CB LEU A 39 7.551 10.442 -3.954 1.00 1.22 C ATOM 576 CG LEU A 39 8.504 9.361 -3.424 1.00 1.14 C ATOM 577 CD1 LEU A 39 9.896 9.553 -4.032 1.00 2.02 C ATOM 578 CD2 LEU A 39 8.616 9.400 -1.894 1.00 2.51 C ATOM 0 H LEU A 39 6.428 8.742 -5.300 1.00 0.70 H new ATOM 0 HA LEU A 39 5.903 9.785 -2.723 1.00 0.82 H new ATOM 0 HB2 LEU A 39 7.744 10.601 -5.015 1.00 1.22 H new ATOM 0 HB3 LEU A 39 7.760 11.384 -3.447 1.00 1.22 H new ATOM 0 HG LEU A 39 8.095 8.393 -3.712 1.00 1.14 H new ATOM 0 HD11 LEU A 39 10.568 8.783 -3.653 1.00 2.02 H new ATOM 0 HD12 LEU A 39 9.833 9.476 -5.117 1.00 2.02 H new ATOM 0 HD13 LEU A 39 10.280 10.536 -3.759 1.00 2.02 H new ATOM 0 HD21 LEU A 39 9.299 8.620 -1.559 1.00 2.51 H new ATOM 0 HD22 LEU A 39 8.995 10.373 -1.582 1.00 2.51 H new ATOM 0 HD23 LEU A 39 7.633 9.235 -1.453 1.00 2.51 H new ATOM 590 N ALA A 40 4.718 11.424 -5.303 1.00 1.15 N ATOM 591 CA ALA A 40 3.901 12.529 -5.805 1.00 1.46 C ATOM 592 C ALA A 40 2.945 13.107 -4.757 1.00 1.10 C ATOM 593 O ALA A 40 2.844 14.322 -4.621 1.00 1.16 O ATOM 594 CB ALA A 40 3.126 12.060 -7.040 1.00 2.01 C ATOM 0 H ALA A 40 4.898 10.721 -6.020 1.00 1.15 H new ATOM 0 HA ALA A 40 4.579 13.341 -6.067 1.00 1.46 H new ATOM 0 HB1 ALA A 40 2.515 12.879 -7.419 1.00 2.01 H new ATOM 0 HB2 ALA A 40 3.828 11.744 -7.812 1.00 2.01 H new ATOM 0 HB3 ALA A 40 2.483 11.223 -6.770 1.00 2.01 H new ATOM 600 N THR A 41 2.255 12.232 -4.018 1.00 0.96 N ATOM 601 CA THR A 41 1.473 12.631 -2.840 1.00 1.02 C ATOM 602 C THR A 41 1.773 11.729 -1.633 1.00 0.91 C ATOM 603 O THR A 41 1.107 11.773 -0.599 1.00 1.42 O ATOM 604 CB THR A 41 -0.003 12.681 -3.236 1.00 1.70 C ATOM 605 OG1 THR A 41 -0.780 13.343 -2.260 1.00 3.19 O ATOM 606 CG2 THR A 41 -0.555 11.282 -3.491 1.00 2.43 C ATOM 0 H THR A 41 2.222 11.232 -4.217 1.00 0.96 H new ATOM 0 HA THR A 41 1.760 13.629 -2.508 1.00 1.02 H new ATOM 0 HB THR A 41 -0.066 13.251 -4.163 1.00 1.70 H new ATOM 0 HG1 THR A 41 -0.480 13.076 -1.366 1.00 3.19 H new ATOM 0 HG21 THR A 41 -1.606 11.351 -3.771 1.00 2.43 H new ATOM 0 HG22 THR A 41 0.005 10.812 -4.299 1.00 2.43 H new ATOM 0 HG23 THR A 41 -0.459 10.682 -2.586 1.00 2.43 H new ATOM 614 N ASN A 42 2.809 10.903 -1.766 1.00 0.54 N ATOM 615 CA ASN A 42 3.135 9.792 -0.884 1.00 0.50 C ATOM 616 C ASN A 42 1.931 8.840 -0.823 1.00 0.46 C ATOM 617 O ASN A 42 1.363 8.604 0.241 1.00 0.52 O ATOM 618 CB ASN A 42 3.620 10.263 0.502 1.00 0.77 C ATOM 619 CG ASN A 42 4.464 11.538 0.462 1.00 0.79 C ATOM 620 OD1 ASN A 42 3.912 12.639 0.456 1.00 1.75 O ATOM 621 ND2 ASN A 42 5.790 11.447 0.486 1.00 1.34 N ATOM 0 H ASN A 42 3.476 10.998 -2.532 1.00 0.54 H new ATOM 0 HA ASN A 42 3.984 9.242 -1.291 1.00 0.50 H new ATOM 0 HB2 ASN A 42 2.754 10.432 1.141 1.00 0.77 H new ATOM 0 HB3 ASN A 42 4.205 9.466 0.962 1.00 0.77 H new ATOM 0 HD21 ASN A 42 6.359 12.293 0.500 1.00 1.34 H new ATOM 0 HD22 ASN A 42 6.238 10.531 0.491 1.00 1.34 H new ATOM 628 N LYS A 43 1.524 8.306 -1.981 1.00 0.49 N ATOM 629 CA LYS A 43 0.424 7.351 -2.098 1.00 0.47 C ATOM 630 C LYS A 43 0.949 5.939 -2.300 1.00 0.48 C ATOM 631 O LYS A 43 2.028 5.765 -2.858 1.00 0.79 O ATOM 632 CB LYS A 43 -0.526 7.713 -3.249 1.00 0.79 C ATOM 633 CG LYS A 43 0.159 7.804 -4.624 1.00 1.92 C ATOM 634 CD LYS A 43 -0.860 7.694 -5.768 1.00 1.65 C ATOM 635 CE LYS A 43 -1.935 8.796 -5.771 1.00 1.36 C ATOM 636 NZ LYS A 43 -3.017 8.476 -6.727 1.00 1.54 N ATOM 0 H LYS A 43 1.959 8.531 -2.876 1.00 0.49 H new ATOM 0 HA LYS A 43 -0.135 7.397 -1.163 1.00 0.47 H new ATOM 0 HB2 LYS A 43 -1.320 6.967 -3.299 1.00 0.79 H new ATOM 0 HB3 LYS A 43 -1.000 8.669 -3.027 1.00 0.79 H new ATOM 0 HG2 LYS A 43 0.695 8.750 -4.703 1.00 1.92 H new ATOM 0 HG3 LYS A 43 0.899 7.009 -4.717 1.00 1.92 H new ATOM 0 HD2 LYS A 43 -0.326 7.722 -6.718 1.00 1.65 H new ATOM 0 HD3 LYS A 43 -1.352 6.723 -5.708 1.00 1.65 H new ATOM 0 HE2 LYS A 43 -2.350 8.907 -4.769 1.00 1.36 H new ATOM 0 HE3 LYS A 43 -1.481 9.751 -6.036 1.00 1.36 H new ATOM 0 HZ1 LYS A 43 -3.013 9.171 -7.501 1.00 1.54 H new ATOM 0 HZ2 LYS A 43 -2.866 7.524 -7.116 1.00 1.54 H new ATOM 0 HZ3 LYS A 43 -3.934 8.508 -6.237 1.00 1.54 H new ATOM 650 N ALA A 44 0.146 4.949 -1.910 1.00 0.41 N ATOM 651 CA ALA A 44 0.271 3.565 -2.312 1.00 0.46 C ATOM 652 C ALA A 44 -1.070 3.114 -2.866 1.00 0.53 C ATOM 653 O ALA A 44 -2.065 3.062 -2.145 1.00 0.72 O ATOM 654 CB ALA A 44 0.744 2.705 -1.142 1.00 0.52 C ATOM 0 H ALA A 44 -0.640 5.106 -1.279 1.00 0.41 H new ATOM 0 HA ALA A 44 1.026 3.454 -3.090 1.00 0.46 H new ATOM 0 HB1 ALA A 44 0.832 1.668 -1.465 1.00 0.52 H new ATOM 0 HB2 ALA A 44 1.715 3.061 -0.798 1.00 0.52 H new ATOM 0 HB3 ALA A 44 0.023 2.772 -0.327 1.00 0.52 H new ATOM 660 N HIS A 45 -1.088 2.812 -4.163 1.00 0.44 N ATOM 661 CA HIS A 45 -2.163 2.182 -4.851 1.00 0.44 C ATOM 662 C HIS A 45 -2.018 0.706 -4.531 1.00 0.44 C ATOM 663 O HIS A 45 -1.020 0.107 -4.929 1.00 0.62 O ATOM 664 CB HIS A 45 -1.913 2.467 -6.329 1.00 0.81 C ATOM 665 CG HIS A 45 -3.126 2.301 -7.163 1.00 0.91 C ATOM 666 ND1 HIS A 45 -3.743 3.324 -7.826 1.00 1.90 N ATOM 667 CD2 HIS A 45 -3.954 1.220 -7.155 1.00 1.38 C ATOM 668 CE1 HIS A 45 -4.928 2.863 -8.233 1.00 2.95 C ATOM 669 NE2 HIS A 45 -5.097 1.578 -7.872 1.00 2.65 N ATOM 0 H HIS A 45 -0.300 3.020 -4.776 1.00 0.44 H new ATOM 0 HA HIS A 45 -3.163 2.521 -4.581 1.00 0.44 H new ATOM 0 HB2 HIS A 45 -1.539 3.485 -6.439 1.00 0.81 H new ATOM 0 HB3 HIS A 45 -1.133 1.800 -6.695 1.00 0.81 H new ATOM 0 HD1 HIS A 45 -3.370 4.261 -7.980 1.00 1.90 H new ATOM 0 HD2 HIS A 45 -3.763 0.267 -6.684 1.00 1.38 H new ATOM 0 HE1 HIS A 45 -5.655 3.445 -8.780 1.00 2.95 H new ATOM 677 N ILE A 46 -2.966 0.135 -3.791 1.00 0.45 N ATOM 678 CA ILE A 46 -3.005 -1.293 -3.516 1.00 0.54 C ATOM 679 C ILE A 46 -4.161 -1.837 -4.344 1.00 0.53 C ATOM 680 O ILE A 46 -5.275 -1.322 -4.230 1.00 0.69 O ATOM 681 CB ILE A 46 -3.205 -1.544 -2.008 1.00 0.73 C ATOM 682 CG1 ILE A 46 -1.898 -1.439 -1.202 1.00 0.85 C ATOM 683 CG2 ILE A 46 -3.757 -2.948 -1.733 1.00 1.13 C ATOM 684 CD1 ILE A 46 -1.174 -0.101 -1.303 1.00 1.07 C ATOM 0 H ILE A 46 -3.732 0.656 -3.364 1.00 0.45 H new ATOM 0 HA ILE A 46 -2.073 -1.792 -3.781 1.00 0.54 H new ATOM 0 HB ILE A 46 -3.906 -0.769 -1.697 1.00 0.73 H new ATOM 0 HG12 ILE A 46 -2.121 -1.634 -0.153 1.00 0.85 H new ATOM 0 HG13 ILE A 46 -1.221 -2.225 -1.536 1.00 0.85 H new ATOM 0 HG21 ILE A 46 -3.884 -3.085 -0.659 1.00 1.13 H new ATOM 0 HG22 ILE A 46 -4.720 -3.064 -2.230 1.00 1.13 H new ATOM 0 HG23 ILE A 46 -3.060 -3.694 -2.114 1.00 1.13 H new ATOM 0 HD11 ILE A 46 -0.267 -0.132 -0.699 1.00 1.07 H new ATOM 0 HD12 ILE A 46 -0.911 0.093 -2.343 1.00 1.07 H new ATOM 0 HD13 ILE A 46 -1.825 0.694 -0.939 1.00 1.07 H new ATOM 696 N LYS A 47 -3.899 -2.857 -5.165 1.00 0.54 N ATOM 697 CA LYS A 47 -4.926 -3.620 -5.851 1.00 0.58 C ATOM 698 C LYS A 47 -4.875 -5.034 -5.277 1.00 0.51 C ATOM 699 O LYS A 47 -3.797 -5.629 -5.258 1.00 0.69 O ATOM 700 CB LYS A 47 -4.655 -3.596 -7.354 1.00 0.67 C ATOM 701 CG LYS A 47 -4.532 -2.152 -7.866 1.00 0.80 C ATOM 702 CD LYS A 47 -4.740 -2.156 -9.388 1.00 0.91 C ATOM 703 CE LYS A 47 -4.844 -0.726 -9.928 1.00 1.85 C ATOM 704 NZ LYS A 47 -4.957 -0.687 -11.400 1.00 2.65 N ATOM 0 H LYS A 47 -2.952 -3.175 -5.370 1.00 0.54 H new ATOM 0 HA LYS A 47 -5.922 -3.203 -5.704 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -3.737 -4.142 -7.571 1.00 0.67 H new ATOM 0 HB3 LYS A 47 -5.461 -4.106 -7.881 1.00 0.67 H new ATOM 0 HG2 LYS A 47 -5.273 -1.515 -7.384 1.00 0.80 H new ATOM 0 HG3 LYS A 47 -3.552 -1.744 -7.619 1.00 0.80 H new ATOM 0 HD2 LYS A 47 -3.911 -2.672 -9.871 1.00 0.91 H new ATOM 0 HD3 LYS A 47 -5.647 -2.709 -9.634 1.00 0.91 H new ATOM 0 HE2 LYS A 47 -5.712 -0.236 -9.487 1.00 1.85 H new ATOM 0 HE3 LYS A 47 -3.966 -0.159 -9.619 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 -5.025 0.301 -11.717 1.00 2.65 H new ATOM 0 HZ2 LYS A 47 -4.117 -1.130 -11.824 1.00 2.65 H new ATOM 0 HZ3 LYS A 47 -5.809 -1.205 -11.697 1.00 2.65 H new ATOM 718 N TYR A 48 -5.996 -5.540 -4.752 1.00 0.81 N ATOM 719 CA TYR A 48 -6.021 -6.670 -3.832 1.00 0.70 C ATOM 720 C TYR A 48 -7.253 -7.555 -4.044 1.00 0.74 C ATOM 721 O TYR A 48 -8.325 -7.065 -4.399 1.00 1.00 O ATOM 722 CB TYR A 48 -5.946 -6.157 -2.388 1.00 0.77 C ATOM 723 CG TYR A 48 -7.138 -5.352 -1.887 1.00 0.89 C ATOM 724 CD1 TYR A 48 -7.317 -4.015 -2.289 1.00 2.00 C ATOM 725 CD2 TYR A 48 -8.003 -5.898 -0.922 1.00 2.02 C ATOM 726 CE1 TYR A 48 -8.326 -3.229 -1.708 1.00 2.20 C ATOM 727 CE2 TYR A 48 -9.019 -5.118 -0.348 1.00 2.07 C ATOM 728 CZ TYR A 48 -9.179 -3.781 -0.737 1.00 1.35 C ATOM 729 OH TYR A 48 -10.168 -3.031 -0.174 1.00 1.67 O ATOM 0 H TYR A 48 -6.922 -5.167 -4.961 1.00 0.81 H new ATOM 0 HA TYR A 48 -5.152 -7.296 -4.034 1.00 0.70 H new ATOM 0 HB2 TYR A 48 -5.813 -7.014 -1.728 1.00 0.77 H new ATOM 0 HB3 TYR A 48 -5.053 -5.539 -2.292 1.00 0.77 H new ATOM 0 HD1 TYR A 48 -6.676 -3.591 -3.048 1.00 2.00 H new ATOM 0 HD2 TYR A 48 -7.884 -6.928 -0.619 1.00 2.02 H new ATOM 0 HE1 TYR A 48 -8.446 -2.199 -2.008 1.00 2.20 H new ATOM 0 HE2 TYR A 48 -9.677 -5.548 0.393 1.00 2.07 H new ATOM 0 HH TYR A 48 -10.661 -3.574 0.476 1.00 1.67 H new ATOM 739 N ASP A 49 -7.098 -8.859 -3.796 1.00 0.63 N ATOM 740 CA ASP A 49 -8.196 -9.799 -3.621 1.00 0.87 C ATOM 741 C ASP A 49 -9.073 -9.266 -2.482 1.00 0.66 C ATOM 742 O ASP A 49 -8.571 -9.122 -1.369 1.00 0.79 O ATOM 743 CB ASP A 49 -7.614 -11.176 -3.268 1.00 1.27 C ATOM 744 CG ASP A 49 -8.666 -12.214 -2.881 1.00 3.13 C ATOM 745 OD1 ASP A 49 -9.483 -11.919 -1.978 1.00 4.75 O ATOM 746 OD2 ASP A 49 -8.586 -13.325 -3.446 1.00 3.68 O ATOM 0 H ASP A 49 -6.180 -9.296 -3.710 1.00 0.63 H new ATOM 0 HA ASP A 49 -8.793 -9.902 -4.527 1.00 0.87 H new ATOM 0 HB2 ASP A 49 -7.047 -11.549 -4.121 1.00 1.27 H new ATOM 0 HB3 ASP A 49 -6.911 -11.061 -2.443 1.00 1.27 H new ATOM 751 N PRO A 50 -10.344 -8.929 -2.732 1.00 0.83 N ATOM 752 CA PRO A 50 -11.169 -8.243 -1.754 1.00 0.85 C ATOM 753 C PRO A 50 -11.700 -9.175 -0.659 1.00 1.02 C ATOM 754 O PRO A 50 -12.385 -8.692 0.241 1.00 1.75 O ATOM 755 CB PRO A 50 -12.309 -7.627 -2.572 1.00 1.30 C ATOM 756 CG PRO A 50 -12.479 -8.610 -3.730 1.00 1.57 C ATOM 757 CD PRO A 50 -11.049 -9.083 -3.993 1.00 1.37 C ATOM 0 HA PRO A 50 -10.593 -7.494 -1.210 1.00 0.85 H new ATOM 0 HB2 PRO A 50 -13.222 -7.535 -1.984 1.00 1.30 H new ATOM 0 HB3 PRO A 50 -12.056 -6.628 -2.926 1.00 1.30 H new ATOM 0 HG2 PRO A 50 -13.135 -9.438 -3.463 1.00 1.57 H new ATOM 0 HG3 PRO A 50 -12.913 -8.129 -4.607 1.00 1.57 H new ATOM 0 HD2 PRO A 50 -11.035 -10.121 -4.325 1.00 1.37 H new ATOM 0 HD3 PRO A 50 -10.579 -8.491 -4.779 1.00 1.37 H new ATOM 765 N GLU A 51 -11.431 -10.486 -0.730 1.00 0.93 N ATOM 766 CA GLU A 51 -11.982 -11.465 0.191 1.00 1.17 C ATOM 767 C GLU A 51 -10.922 -11.877 1.210 1.00 1.04 C ATOM 768 O GLU A 51 -11.167 -11.827 2.413 1.00 1.68 O ATOM 769 CB GLU A 51 -12.512 -12.674 -0.594 1.00 1.59 C ATOM 770 CG GLU A 51 -13.650 -12.267 -1.544 1.00 2.85 C ATOM 771 CD GLU A 51 -14.259 -13.459 -2.274 1.00 3.52 C ATOM 772 OE1 GLU A 51 -14.322 -14.542 -1.653 1.00 4.58 O ATOM 773 OE2 GLU A 51 -14.669 -13.258 -3.437 1.00 3.78 O ATOM 0 H GLU A 51 -10.818 -10.891 -1.438 1.00 0.93 H new ATOM 0 HA GLU A 51 -12.816 -11.026 0.738 1.00 1.17 H new ATOM 0 HB2 GLU A 51 -11.700 -13.123 -1.167 1.00 1.59 H new ATOM 0 HB3 GLU A 51 -12.870 -13.433 0.101 1.00 1.59 H new ATOM 0 HG2 GLU A 51 -14.428 -11.758 -0.976 1.00 2.85 H new ATOM 0 HG3 GLU A 51 -13.270 -11.553 -2.275 1.00 2.85 H new ATOM 780 N ILE A 52 -9.754 -12.329 0.742 1.00 0.63 N ATOM 781 CA ILE A 52 -8.794 -12.986 1.626 1.00 0.71 C ATOM 782 C ILE A 52 -7.973 -11.991 2.450 1.00 0.74 C ATOM 783 O ILE A 52 -7.623 -12.280 3.592 1.00 1.06 O ATOM 784 CB ILE A 52 -7.906 -13.977 0.859 1.00 0.93 C ATOM 785 CG1 ILE A 52 -6.861 -13.281 -0.028 1.00 1.05 C ATOM 786 CG2 ILE A 52 -8.785 -14.969 0.083 1.00 1.68 C ATOM 787 CD1 ILE A 52 -6.131 -14.266 -0.941 1.00 2.11 C ATOM 0 H ILE A 52 -9.456 -12.252 -0.230 1.00 0.63 H new ATOM 0 HA ILE A 52 -9.375 -13.563 2.345 1.00 0.71 H new ATOM 0 HB ILE A 52 -7.320 -14.540 1.585 1.00 0.93 H new ATOM 0 HG12 ILE A 52 -7.351 -12.520 -0.635 1.00 1.05 H new ATOM 0 HG13 ILE A 52 -6.136 -12.767 0.603 1.00 1.05 H new ATOM 0 HG21 ILE A 52 -8.151 -15.670 -0.460 1.00 1.68 H new ATOM 0 HG22 ILE A 52 -9.418 -15.517 0.781 1.00 1.68 H new ATOM 0 HG23 ILE A 52 -9.411 -14.425 -0.624 1.00 1.68 H new ATOM 0 HD11 ILE A 52 -5.403 -13.728 -1.548 1.00 2.11 H new ATOM 0 HD12 ILE A 52 -5.617 -15.012 -0.335 1.00 2.11 H new ATOM 0 HD13 ILE A 52 -6.851 -14.761 -1.592 1.00 2.11 H new ATOM 799 N ILE A 53 -7.633 -10.848 1.854 1.00 0.61 N ATOM 800 CA ILE A 53 -6.854 -9.777 2.467 1.00 0.63 C ATOM 801 C ILE A 53 -7.753 -8.540 2.555 1.00 0.57 C ATOM 802 O ILE A 53 -8.412 -8.196 1.577 1.00 0.67 O ATOM 803 CB ILE A 53 -5.562 -9.551 1.647 1.00 0.66 C ATOM 804 CG1 ILE A 53 -4.672 -8.433 2.218 1.00 0.88 C ATOM 805 CG2 ILE A 53 -5.827 -9.247 0.170 1.00 0.72 C ATOM 806 CD1 ILE A 53 -3.526 -9.021 3.039 1.00 0.99 C ATOM 0 H ILE A 53 -7.904 -10.637 0.894 1.00 0.61 H new ATOM 0 HA ILE A 53 -6.531 -10.026 3.478 1.00 0.63 H new ATOM 0 HB ILE A 53 -5.037 -10.503 1.725 1.00 0.66 H new ATOM 0 HG12 ILE A 53 -4.270 -7.830 1.404 1.00 0.88 H new ATOM 0 HG13 ILE A 53 -5.270 -7.769 2.842 1.00 0.88 H new ATOM 0 HG21 ILE A 53 -4.879 -9.099 -0.347 1.00 0.72 H new ATOM 0 HG22 ILE A 53 -6.361 -10.082 -0.283 1.00 0.72 H new ATOM 0 HG23 ILE A 53 -6.430 -8.343 0.087 1.00 0.72 H new ATOM 0 HD11 ILE A 53 -2.909 -8.213 3.433 1.00 0.99 H new ATOM 0 HD12 ILE A 53 -3.932 -9.604 3.865 1.00 0.99 H new ATOM 0 HD13 ILE A 53 -2.918 -9.666 2.405 1.00 0.99 H new ATOM 818 N GLY A 54 -7.814 -7.873 3.710 1.00 0.58 N ATOM 819 CA GLY A 54 -8.618 -6.682 3.899 1.00 0.60 C ATOM 820 C GLY A 54 -7.750 -5.425 3.993 1.00 0.52 C ATOM 821 O GLY A 54 -6.519 -5.491 4.073 1.00 0.54 O ATOM 0 H GLY A 54 -7.298 -8.154 4.544 1.00 0.58 H new ATOM 0 HA2 GLY A 54 -9.318 -6.580 3.070 1.00 0.60 H new ATOM 0 HA3 GLY A 54 -9.212 -6.784 4.807 1.00 0.60 H new ATOM 825 N PRO A 55 -8.398 -4.249 4.017 1.00 0.55 N ATOM 826 CA PRO A 55 -7.732 -2.979 4.231 1.00 0.57 C ATOM 827 C PRO A 55 -7.002 -2.970 5.575 1.00 0.59 C ATOM 828 O PRO A 55 -5.921 -2.400 5.673 1.00 0.64 O ATOM 829 CB PRO A 55 -8.827 -1.910 4.147 1.00 0.71 C ATOM 830 CG PRO A 55 -10.112 -2.671 4.471 1.00 0.77 C ATOM 831 CD PRO A 55 -9.836 -4.063 3.905 1.00 0.67 C ATOM 0 HA PRO A 55 -6.962 -2.788 3.483 1.00 0.57 H new ATOM 0 HB2 PRO A 55 -8.652 -1.102 4.857 1.00 0.71 H new ATOM 0 HB3 PRO A 55 -8.869 -1.459 3.156 1.00 0.71 H new ATOM 0 HG2 PRO A 55 -10.304 -2.702 5.544 1.00 0.77 H new ATOM 0 HG3 PRO A 55 -10.983 -2.211 4.004 1.00 0.77 H new ATOM 0 HD2 PRO A 55 -10.375 -4.828 4.464 1.00 0.67 H new ATOM 0 HD3 PRO A 55 -10.162 -4.137 2.867 1.00 0.67 H new ATOM 839 N ARG A 56 -7.572 -3.607 6.607 1.00 0.63 N ATOM 840 CA ARG A 56 -6.910 -3.763 7.897 1.00 0.67 C ATOM 841 C ARG A 56 -5.555 -4.445 7.711 1.00 0.65 C ATOM 842 O ARG A 56 -4.527 -3.901 8.108 1.00 0.63 O ATOM 843 CB ARG A 56 -7.782 -4.576 8.868 1.00 0.77 C ATOM 844 CG ARG A 56 -8.818 -3.729 9.618 1.00 1.92 C ATOM 845 CD ARG A 56 -9.878 -3.109 8.697 1.00 3.34 C ATOM 846 NE ARG A 56 -10.909 -2.393 9.467 1.00 4.53 N ATOM 847 CZ ARG A 56 -11.932 -2.967 10.124 1.00 5.22 C ATOM 848 NH1 ARG A 56 -12.064 -4.298 10.123 1.00 4.95 N ATOM 849 NH2 ARG A 56 -12.814 -2.206 10.781 1.00 6.64 N ATOM 0 H ARG A 56 -8.501 -4.025 6.565 1.00 0.63 H new ATOM 0 HA ARG A 56 -6.757 -2.772 8.325 1.00 0.67 H new ATOM 0 HB2 ARG A 56 -8.298 -5.358 8.312 1.00 0.77 H new ATOM 0 HB3 ARG A 56 -7.138 -5.073 9.593 1.00 0.77 H new ATOM 0 HG2 ARG A 56 -9.314 -4.350 10.364 1.00 1.92 H new ATOM 0 HG3 ARG A 56 -8.304 -2.933 10.157 1.00 1.92 H new ATOM 0 HD2 ARG A 56 -9.399 -2.421 8.001 1.00 3.34 H new ATOM 0 HD3 ARG A 56 -10.346 -3.892 8.100 1.00 3.34 H new ATOM 0 HE ARG A 56 -10.841 -1.376 9.505 1.00 4.53 H new ATOM 0 HH11 ARG A 56 -11.389 -4.877 9.624 1.00 4.95 H new ATOM 0 HH12 ARG A 56 -12.840 -4.734 10.621 1.00 4.95 H new ATOM 0 HH21 ARG A 56 -12.710 -1.191 10.783 1.00 6.64 H new ATOM 0 HH22 ARG A 56 -13.591 -2.640 11.280 1.00 6.64 H new ATOM 863 N ASP A 57 -5.556 -5.640 7.112 1.00 0.73 N ATOM 864 CA ASP A 57 -4.352 -6.430 6.914 1.00 0.74 C ATOM 865 C ASP A 57 -3.308 -5.577 6.204 1.00 0.72 C ATOM 866 O ASP A 57 -2.173 -5.467 6.660 1.00 0.70 O ATOM 867 CB ASP A 57 -4.669 -7.688 6.094 1.00 0.85 C ATOM 868 CG ASP A 57 -5.923 -8.392 6.579 1.00 1.61 C ATOM 869 OD1 ASP A 57 -7.001 -7.826 6.287 1.00 2.68 O ATOM 870 OD2 ASP A 57 -5.789 -9.450 7.225 1.00 2.21 O ATOM 0 H ASP A 57 -6.401 -6.083 6.751 1.00 0.73 H new ATOM 0 HA ASP A 57 -3.961 -6.747 7.881 1.00 0.74 H new ATOM 0 HB2 ASP A 57 -4.791 -7.414 5.046 1.00 0.85 H new ATOM 0 HB3 ASP A 57 -3.825 -8.376 6.148 1.00 0.85 H new ATOM 875 N ILE A 58 -3.716 -4.937 5.105 1.00 0.75 N ATOM 876 CA ILE A 58 -2.874 -4.013 4.360 1.00 0.74 C ATOM 877 C ILE A 58 -2.300 -2.923 5.267 1.00 0.66 C ATOM 878 O ILE A 58 -1.090 -2.696 5.280 1.00 0.67 O ATOM 879 CB ILE A 58 -3.681 -3.448 3.178 1.00 0.80 C ATOM 880 CG1 ILE A 58 -3.803 -4.505 2.070 1.00 0.65 C ATOM 881 CG2 ILE A 58 -3.127 -2.121 2.637 1.00 0.99 C ATOM 882 CD1 ILE A 58 -2.495 -4.736 1.308 1.00 1.91 C ATOM 0 H ILE A 58 -4.649 -5.050 4.708 1.00 0.75 H new ATOM 0 HA ILE A 58 -2.009 -4.542 3.960 1.00 0.74 H new ATOM 0 HB ILE A 58 -4.676 -3.211 3.555 1.00 0.80 H new ATOM 0 HG12 ILE A 58 -4.130 -5.447 2.510 1.00 0.65 H new ATOM 0 HG13 ILE A 58 -4.576 -4.196 1.366 1.00 0.65 H new ATOM 0 HG21 ILE A 58 -3.744 -1.781 1.805 1.00 0.99 H new ATOM 0 HG22 ILE A 58 -3.140 -1.372 3.429 1.00 0.99 H new ATOM 0 HG23 ILE A 58 -2.103 -2.268 2.293 1.00 0.99 H new ATOM 0 HD11 ILE A 58 -2.650 -5.494 0.540 1.00 1.91 H new ATOM 0 HD12 ILE A 58 -2.177 -3.804 0.840 1.00 1.91 H new ATOM 0 HD13 ILE A 58 -1.725 -5.074 2.001 1.00 1.91 H new ATOM 894 N ILE A 59 -3.159 -2.244 6.026 1.00 0.58 N ATOM 895 CA ILE A 59 -2.742 -1.187 6.931 1.00 0.51 C ATOM 896 C ILE A 59 -1.673 -1.710 7.885 1.00 0.51 C ATOM 897 O ILE A 59 -0.605 -1.117 7.970 1.00 0.52 O ATOM 898 CB ILE A 59 -3.962 -0.582 7.646 1.00 0.48 C ATOM 899 CG1 ILE A 59 -4.644 0.408 6.690 1.00 0.52 C ATOM 900 CG2 ILE A 59 -3.617 0.095 8.984 1.00 0.45 C ATOM 901 CD1 ILE A 59 -6.111 0.613 7.058 1.00 0.53 C ATOM 0 H ILE A 59 -4.164 -2.416 6.027 1.00 0.58 H new ATOM 0 HA ILE A 59 -2.286 -0.372 6.369 1.00 0.51 H new ATOM 0 HB ILE A 59 -4.638 -1.397 7.903 1.00 0.48 H new ATOM 0 HG12 ILE A 59 -4.122 1.364 6.720 1.00 0.52 H new ATOM 0 HG13 ILE A 59 -4.572 0.038 5.667 1.00 0.52 H new ATOM 0 HG21 ILE A 59 -4.525 0.499 9.432 1.00 0.45 H new ATOM 0 HG22 ILE A 59 -3.174 -0.637 9.659 1.00 0.45 H new ATOM 0 HG23 ILE A 59 -2.907 0.904 8.810 1.00 0.45 H new ATOM 0 HD11 ILE A 59 -6.565 1.319 6.363 1.00 0.53 H new ATOM 0 HD12 ILE A 59 -6.637 -0.340 7.003 1.00 0.53 H new ATOM 0 HD13 ILE A 59 -6.180 1.007 8.072 1.00 0.53 H new ATOM 913 N HIS A 60 -1.927 -2.823 8.574 1.00 0.51 N ATOM 914 CA HIS A 60 -0.984 -3.347 9.556 1.00 0.53 C ATOM 915 C HIS A 60 0.307 -3.796 8.871 1.00 0.60 C ATOM 916 O HIS A 60 1.411 -3.574 9.369 1.00 0.64 O ATOM 917 CB HIS A 60 -1.632 -4.478 10.359 1.00 0.61 C ATOM 918 CG HIS A 60 -2.784 -3.995 11.202 1.00 1.05 C ATOM 919 ND1 HIS A 60 -2.712 -3.051 12.199 1.00 2.46 N ATOM 920 CD2 HIS A 60 -4.095 -4.365 11.083 1.00 1.23 C ATOM 921 CE1 HIS A 60 -3.957 -2.853 12.662 1.00 2.74 C ATOM 922 NE2 HIS A 60 -4.839 -3.634 12.014 1.00 1.87 N ATOM 0 H HIS A 60 -2.777 -3.377 8.469 1.00 0.51 H new ATOM 0 HA HIS A 60 -0.719 -2.556 10.257 1.00 0.53 H new ATOM 0 HB2 HIS A 60 -1.984 -5.250 9.675 1.00 0.61 H new ATOM 0 HB3 HIS A 60 -0.883 -4.939 11.002 1.00 0.61 H new ATOM 0 HD1 HIS A 60 -1.866 -2.585 12.528 1.00 2.46 H new ATOM 0 HD2 HIS A 60 -4.487 -5.095 10.390 1.00 1.23 H new ATOM 0 HE1 HIS A 60 -4.215 -2.160 13.449 1.00 2.74 H new ATOM 930 N THR A 61 0.168 -4.403 7.692 1.00 0.70 N ATOM 931 CA THR A 61 1.311 -4.803 6.888 1.00 0.84 C ATOM 932 C THR A 61 2.207 -3.586 6.639 1.00 0.85 C ATOM 933 O THR A 61 3.406 -3.641 6.895 1.00 0.96 O ATOM 934 CB THR A 61 0.829 -5.466 5.591 1.00 0.93 C ATOM 935 OG1 THR A 61 0.151 -6.663 5.909 1.00 1.01 O ATOM 936 CG2 THR A 61 1.979 -5.818 4.643 1.00 1.08 C ATOM 0 H THR A 61 -0.735 -4.628 7.274 1.00 0.70 H new ATOM 0 HA THR A 61 1.910 -5.544 7.417 1.00 0.84 H new ATOM 0 HB THR A 61 0.179 -4.749 5.089 1.00 0.93 H new ATOM 0 HG1 THR A 61 -0.725 -6.451 6.295 1.00 1.01 H new ATOM 0 HG21 THR A 61 1.579 -6.284 3.743 1.00 1.08 H new ATOM 0 HG22 THR A 61 2.518 -4.910 4.373 1.00 1.08 H new ATOM 0 HG23 THR A 61 2.660 -6.511 5.138 1.00 1.08 H new ATOM 944 N ILE A 62 1.632 -2.482 6.159 1.00 0.76 N ATOM 945 CA ILE A 62 2.396 -1.276 5.867 1.00 0.76 C ATOM 946 C ILE A 62 2.897 -0.612 7.155 1.00 0.76 C ATOM 947 O ILE A 62 4.030 -0.131 7.186 1.00 0.82 O ATOM 948 CB ILE A 62 1.568 -0.326 4.989 1.00 0.69 C ATOM 949 CG1 ILE A 62 1.312 -0.967 3.613 1.00 0.72 C ATOM 950 CG2 ILE A 62 2.302 1.009 4.809 1.00 0.71 C ATOM 951 CD1 ILE A 62 0.224 -0.228 2.835 1.00 1.40 C ATOM 0 H ILE A 62 0.634 -2.402 5.965 1.00 0.76 H new ATOM 0 HA ILE A 62 3.287 -1.547 5.300 1.00 0.76 H new ATOM 0 HB ILE A 62 0.613 -0.141 5.482 1.00 0.69 H new ATOM 0 HG12 ILE A 62 2.236 -0.967 3.035 1.00 0.72 H new ATOM 0 HG13 ILE A 62 1.020 -2.009 3.746 1.00 0.72 H new ATOM 0 HG21 ILE A 62 1.703 1.672 4.185 1.00 0.71 H new ATOM 0 HG22 ILE A 62 2.459 1.472 5.783 1.00 0.71 H new ATOM 0 HG23 ILE A 62 3.266 0.833 4.331 1.00 0.71 H new ATOM 0 HD11 ILE A 62 0.074 -0.712 1.870 1.00 1.40 H new ATOM 0 HD12 ILE A 62 -0.707 -0.251 3.401 1.00 1.40 H new ATOM 0 HD13 ILE A 62 0.528 0.807 2.678 1.00 1.40 H new ATOM 963 N GLU A 63 2.085 -0.574 8.216 1.00 0.70 N ATOM 964 CA GLU A 63 2.476 0.040 9.481 1.00 0.65 C ATOM 965 C GLU A 63 3.758 -0.618 9.984 1.00 0.62 C ATOM 966 O GLU A 63 4.721 0.057 10.344 1.00 0.66 O ATOM 967 CB GLU A 63 1.317 0.038 10.496 1.00 0.62 C ATOM 968 CG GLU A 63 1.340 -1.017 11.614 1.00 2.28 C ATOM 969 CD GLU A 63 0.057 -0.990 12.435 1.00 2.40 C ATOM 970 OE1 GLU A 63 -0.558 0.094 12.523 1.00 2.39 O ATOM 971 OE2 GLU A 63 -0.320 -2.071 12.936 1.00 3.55 O ATOM 0 H GLU A 63 1.144 -0.967 8.219 1.00 0.70 H new ATOM 0 HA GLU A 63 2.699 1.096 9.330 1.00 0.65 H new ATOM 0 HB2 GLU A 63 1.282 1.021 10.965 1.00 0.62 H new ATOM 0 HB3 GLU A 63 0.387 -0.084 9.941 1.00 0.62 H new ATOM 0 HG2 GLU A 63 1.473 -2.007 11.178 1.00 2.28 H new ATOM 0 HG3 GLU A 63 2.194 -0.838 12.267 1.00 2.28 H new ATOM 978 N SER A 64 3.798 -1.948 9.896 1.00 0.62 N ATOM 979 CA SER A 64 4.970 -2.750 10.218 1.00 0.68 C ATOM 980 C SER A 64 6.216 -2.400 9.385 1.00 0.80 C ATOM 981 O SER A 64 7.303 -2.849 9.749 1.00 1.22 O ATOM 982 CB SER A 64 4.636 -4.241 10.085 1.00 0.73 C ATOM 983 OG SER A 64 5.696 -5.023 10.608 1.00 1.73 O ATOM 0 H SER A 64 2.999 -2.505 9.593 1.00 0.62 H new ATOM 0 HA SER A 64 5.229 -2.514 11.250 1.00 0.68 H new ATOM 0 HB2 SER A 64 3.711 -4.464 10.617 1.00 0.73 H new ATOM 0 HB3 SER A 64 4.469 -4.493 9.038 1.00 0.73 H new ATOM 0 HG SER A 64 6.549 -4.571 10.441 1.00 1.73 H new ATOM 989 N LEU A 65 6.091 -1.661 8.275 1.00 0.61 N ATOM 990 CA LEU A 65 7.220 -1.174 7.482 1.00 0.70 C ATOM 991 C LEU A 65 7.605 0.260 7.865 1.00 0.73 C ATOM 992 O LEU A 65 8.649 0.740 7.423 1.00 0.98 O ATOM 993 CB LEU A 65 6.907 -1.248 5.980 1.00 0.81 C ATOM 994 CG LEU A 65 6.440 -2.629 5.499 1.00 0.88 C ATOM 995 CD1 LEU A 65 6.074 -2.553 4.014 1.00 1.17 C ATOM 996 CD2 LEU A 65 7.497 -3.716 5.721 1.00 1.00 C ATOM 0 H LEU A 65 5.185 -1.382 7.899 1.00 0.61 H new ATOM 0 HA LEU A 65 8.068 -1.823 7.700 1.00 0.70 H new ATOM 0 HB2 LEU A 65 6.136 -0.514 5.745 1.00 0.81 H new ATOM 0 HB3 LEU A 65 7.798 -0.964 5.421 1.00 0.81 H new ATOM 0 HG LEU A 65 5.567 -2.906 6.090 1.00 0.88 H new ATOM 0 HD11 LEU A 65 5.742 -3.533 3.670 1.00 1.17 H new ATOM 0 HD12 LEU A 65 5.272 -1.828 3.874 1.00 1.17 H new ATOM 0 HD13 LEU A 65 6.947 -2.244 3.439 1.00 1.17 H new ATOM 0 HD21 LEU A 65 7.116 -4.673 5.364 1.00 1.00 H new ATOM 0 HD22 LEU A 65 8.404 -3.459 5.173 1.00 1.00 H new ATOM 0 HD23 LEU A 65 7.724 -3.791 6.784 1.00 1.00 H new ATOM 1008 N GLY A 66 6.786 0.937 8.677 1.00 0.62 N ATOM 1009 CA GLY A 66 7.071 2.259 9.212 1.00 0.65 C ATOM 1010 C GLY A 66 6.531 3.378 8.322 1.00 0.67 C ATOM 1011 O GLY A 66 7.238 4.353 8.080 1.00 0.85 O ATOM 0 H GLY A 66 5.887 0.566 8.984 1.00 0.62 H new ATOM 0 HA2 GLY A 66 6.634 2.347 10.207 1.00 0.65 H new ATOM 0 HA3 GLY A 66 8.149 2.377 9.326 1.00 0.65 H new ATOM 1015 N PHE A 67 5.272 3.267 7.881 1.00 0.56 N ATOM 1016 CA PHE A 67 4.563 4.334 7.180 1.00 0.58 C ATOM 1017 C PHE A 67 3.134 4.398 7.711 1.00 0.50 C ATOM 1018 O PHE A 67 2.682 3.441 8.336 1.00 0.52 O ATOM 1019 CB PHE A 67 4.560 4.064 5.671 1.00 0.68 C ATOM 1020 CG PHE A 67 5.931 3.798 5.085 1.00 0.65 C ATOM 1021 CD1 PHE A 67 6.846 4.857 4.963 1.00 1.60 C ATOM 1022 CD2 PHE A 67 6.343 2.481 4.812 1.00 2.15 C ATOM 1023 CE1 PHE A 67 8.172 4.602 4.575 1.00 1.67 C ATOM 1024 CE2 PHE A 67 7.657 2.231 4.381 1.00 2.07 C ATOM 1025 CZ PHE A 67 8.571 3.292 4.258 1.00 0.55 C ATOM 0 H PHE A 67 4.714 2.422 8.004 1.00 0.56 H new ATOM 0 HA PHE A 67 5.062 5.287 7.352 1.00 0.58 H new ATOM 0 HB2 PHE A 67 3.918 3.207 5.468 1.00 0.68 H new ATOM 0 HB3 PHE A 67 4.119 4.920 5.161 1.00 0.68 H new ATOM 0 HD1 PHE A 67 6.530 5.869 5.168 1.00 1.60 H new ATOM 0 HD2 PHE A 67 5.650 1.662 4.934 1.00 2.15 H new ATOM 0 HE1 PHE A 67 8.884 5.412 4.520 1.00 1.67 H new ATOM 0 HE2 PHE A 67 7.965 1.223 4.144 1.00 2.07 H new ATOM 0 HZ PHE A 67 9.579 3.101 3.920 1.00 0.55 H new ATOM 1035 N GLU A 68 2.422 5.499 7.449 1.00 0.55 N ATOM 1036 CA GLU A 68 1.078 5.748 7.942 1.00 0.46 C ATOM 1037 C GLU A 68 0.057 5.618 6.798 1.00 0.45 C ATOM 1038 O GLU A 68 -0.248 6.628 6.156 1.00 0.59 O ATOM 1039 CB GLU A 68 1.043 7.167 8.512 1.00 0.58 C ATOM 1040 CG GLU A 68 2.130 7.449 9.559 1.00 1.14 C ATOM 1041 CD GLU A 68 2.092 8.910 9.985 1.00 1.82 C ATOM 1042 OE1 GLU A 68 1.102 9.280 10.650 1.00 2.02 O ATOM 1043 OE2 GLU A 68 3.032 9.638 9.599 1.00 3.06 O ATOM 0 H GLU A 68 2.782 6.259 6.871 1.00 0.55 H new ATOM 0 HA GLU A 68 0.820 5.020 8.711 1.00 0.46 H new ATOM 0 HB2 GLU A 68 1.149 7.879 7.693 1.00 0.58 H new ATOM 0 HB3 GLU A 68 0.066 7.342 8.962 1.00 0.58 H new ATOM 0 HG2 GLU A 68 1.983 6.807 10.427 1.00 1.14 H new ATOM 0 HG3 GLU A 68 3.111 7.209 9.148 1.00 1.14 H new ATOM 1050 N PRO A 69 -0.461 4.411 6.504 1.00 0.43 N ATOM 1051 CA PRO A 69 -1.357 4.162 5.378 1.00 0.46 C ATOM 1052 C PRO A 69 -2.735 4.786 5.608 1.00 0.55 C ATOM 1053 O PRO A 69 -3.690 4.124 6.010 1.00 1.00 O ATOM 1054 CB PRO A 69 -1.415 2.638 5.233 1.00 0.47 C ATOM 1055 CG PRO A 69 -1.147 2.144 6.648 1.00 0.47 C ATOM 1056 CD PRO A 69 -0.145 3.161 7.176 1.00 0.53 C ATOM 0 HA PRO A 69 -0.996 4.625 4.459 1.00 0.46 H new ATOM 0 HB2 PRO A 69 -2.386 2.305 4.867 1.00 0.47 H new ATOM 0 HB3 PRO A 69 -0.667 2.272 4.530 1.00 0.47 H new ATOM 0 HG2 PRO A 69 -2.057 2.123 7.248 1.00 0.47 H new ATOM 0 HG3 PRO A 69 -0.739 1.133 6.653 1.00 0.47 H new ATOM 0 HD2 PRO A 69 -0.227 3.266 8.258 1.00 0.53 H new ATOM 0 HD3 PRO A 69 0.878 2.850 6.963 1.00 0.53 H new ATOM 1064 N SER A 70 -2.838 6.080 5.321 1.00 0.47 N ATOM 1065 CA SER A 70 -4.033 6.869 5.539 1.00 0.57 C ATOM 1066 C SER A 70 -5.007 6.631 4.380 1.00 0.49 C ATOM 1067 O SER A 70 -4.793 7.133 3.280 1.00 0.46 O ATOM 1068 CB SER A 70 -3.614 8.338 5.672 1.00 0.77 C ATOM 1069 OG SER A 70 -2.535 8.456 6.586 1.00 1.78 O ATOM 0 H SER A 70 -2.069 6.617 4.920 1.00 0.47 H new ATOM 0 HA SER A 70 -4.550 6.581 6.455 1.00 0.57 H new ATOM 0 HB2 SER A 70 -3.321 8.730 4.698 1.00 0.77 H new ATOM 0 HB3 SER A 70 -4.459 8.936 6.015 1.00 0.77 H new ATOM 0 HG SER A 70 -1.711 8.138 6.162 1.00 1.78 H new ATOM 1075 N LEU A 71 -6.060 5.839 4.602 1.00 0.59 N ATOM 1076 CA LEU A 71 -7.025 5.435 3.579 1.00 0.66 C ATOM 1077 C LEU A 71 -7.892 6.598 3.070 1.00 0.77 C ATOM 1078 O LEU A 71 -9.108 6.627 3.286 1.00 1.23 O ATOM 1079 CB LEU A 71 -7.868 4.254 4.092 1.00 0.93 C ATOM 1080 CG LEU A 71 -8.658 4.556 5.384 1.00 1.52 C ATOM 1081 CD1 LEU A 71 -10.119 4.118 5.228 1.00 1.83 C ATOM 1082 CD2 LEU A 71 -8.061 3.830 6.595 1.00 2.62 C ATOM 0 H LEU A 71 -6.269 5.452 5.522 1.00 0.59 H new ATOM 0 HA LEU A 71 -6.462 5.105 2.706 1.00 0.66 H new ATOM 0 HB2 LEU A 71 -8.569 3.956 3.312 1.00 0.93 H new ATOM 0 HB3 LEU A 71 -7.210 3.403 4.272 1.00 0.93 H new ATOM 0 HG LEU A 71 -8.600 5.632 5.551 1.00 1.52 H new ATOM 0 HD11 LEU A 71 -10.664 4.337 6.146 1.00 1.83 H new ATOM 0 HD12 LEU A 71 -10.574 4.658 4.398 1.00 1.83 H new ATOM 0 HD13 LEU A 71 -10.159 3.047 5.029 1.00 1.83 H new ATOM 0 HD21 LEU A 71 -8.644 4.067 7.485 1.00 2.62 H new ATOM 0 HD22 LEU A 71 -8.084 2.754 6.422 1.00 2.62 H new ATOM 0 HD23 LEU A 71 -7.030 4.152 6.740 1.00 2.62 H new ATOM 1094 N VAL A 72 -7.288 7.515 2.307 1.00 0.90 N ATOM 1095 CA VAL A 72 -8.023 8.419 1.434 1.00 1.12 C ATOM 1096 C VAL A 72 -8.567 7.577 0.264 1.00 1.48 C ATOM 1097 O VAL A 72 -9.167 6.538 0.545 1.00 3.18 O ATOM 1098 CB VAL A 72 -7.193 9.658 1.054 1.00 1.58 C ATOM 1099 CG1 VAL A 72 -8.125 10.804 0.628 1.00 2.36 C ATOM 1100 CG2 VAL A 72 -6.366 10.184 2.238 1.00 2.11 C ATOM 0 H VAL A 72 -6.277 7.647 2.281 1.00 0.90 H new ATOM 0 HA VAL A 72 -8.879 8.868 1.938 1.00 1.12 H new ATOM 0 HB VAL A 72 -6.530 9.349 0.246 1.00 1.58 H new ATOM 0 HG11 VAL A 72 -7.530 11.677 0.361 1.00 2.36 H new ATOM 0 HG12 VAL A 72 -8.717 10.491 -0.232 1.00 2.36 H new ATOM 0 HG13 VAL A 72 -8.791 11.058 1.453 1.00 2.36 H new ATOM 0 HG21 VAL A 72 -5.796 11.059 1.924 1.00 2.11 H new ATOM 0 HG22 VAL A 72 -7.034 10.460 3.054 1.00 2.11 H new ATOM 0 HG23 VAL A 72 -5.681 9.407 2.577 1.00 2.11 H new