USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 535 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 36 SER OG : rot 170:sc= -0.0106 USER MOD Set 1.2: A 45 HIS : no HE2:sc= -0.245 K(o=1.3,f=-14!) USER MOD Set 1.3: A 47 LYS NZ :NH3+ 151:sc= 1.52 (180deg=0.00669) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.721 K(o=1.8,f=-4.4!) USER MOD Set 2.2: A 61 THR OG1 : rot 81:sc= 1.06 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 1.09 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0) USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 20 HIS : no HD1:sc= 0.18 K(o=1.5,f=-0.62) USER MOD Set 4.3: A 24 SER OG : rot 167:sc= 1.3 USER MOD Single : A 13 MET CE :methyl 179:sc= -1.48 (180deg=-1.53) USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.0524 USER MOD Single : A 15 CYS SG : rot 180:sc= -0.178 USER MOD Single : A 18 CYS SG : rot 120:sc= -0.394 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.34 (180deg=0.926) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 161:sc= -0.984 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 42 ASN : amide:sc= 0.978 K(o=0.98,f=-0.0055) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 0.893 (180deg=-3.74!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.45 K(o=1.4,f=-11!) 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 9.637 -5.469 2.948 1.00 1.09 N ATOM 47 CA VAL A 5 8.956 -4.184 3.059 1.00 1.07 C ATOM 48 C VAL A 5 9.086 -3.462 1.724 1.00 1.12 C ATOM 49 O VAL A 5 10.120 -3.589 1.067 1.00 1.74 O ATOM 50 CB VAL A 5 9.559 -3.343 4.204 1.00 1.29 C ATOM 51 CG1 VAL A 5 8.710 -2.093 4.479 1.00 2.05 C ATOM 52 CG2 VAL A 5 9.691 -4.161 5.498 1.00 1.94 C ATOM 0 HA VAL A 5 7.903 -4.338 3.294 1.00 1.07 H new ATOM 0 HB VAL A 5 10.554 -3.037 3.880 1.00 1.29 H new ATOM 0 HG11 VAL A 5 9.159 -1.520 5.290 1.00 2.05 H new ATOM 0 HG12 VAL A 5 8.667 -1.478 3.580 1.00 2.05 H new ATOM 0 HG13 VAL A 5 7.701 -2.393 4.762 1.00 2.05 H new ATOM 0 HG21 VAL A 5 10.119 -3.536 6.282 1.00 1.94 H new ATOM 0 HG22 VAL A 5 8.707 -4.510 5.810 1.00 1.94 H new ATOM 0 HG23 VAL A 5 10.341 -5.018 5.322 1.00 1.94 H new ATOM 62 N LEU A 6 8.067 -2.692 1.334 1.00 0.81 N ATOM 63 CA LEU A 6 8.182 -1.741 0.238 1.00 0.91 C ATOM 64 C LEU A 6 7.416 -0.475 0.611 1.00 0.86 C ATOM 65 O LEU A 6 6.315 -0.555 1.163 1.00 1.05 O ATOM 66 CB LEU A 6 7.695 -2.373 -1.076 1.00 1.17 C ATOM 67 CG LEU A 6 8.026 -1.541 -2.328 1.00 1.43 C ATOM 68 CD1 LEU A 6 8.448 -2.450 -3.487 1.00 1.99 C ATOM 69 CD2 LEU A 6 6.823 -0.700 -2.766 1.00 2.23 C ATOM 0 H LEU A 6 7.145 -2.714 1.770 1.00 0.81 H new ATOM 0 HA LEU A 6 9.224 -1.468 0.072 1.00 0.91 H new ATOM 0 HB2 LEU A 6 8.142 -3.362 -1.180 1.00 1.17 H new ATOM 0 HB3 LEU A 6 6.616 -2.515 -1.021 1.00 1.17 H new ATOM 0 HG LEU A 6 8.850 -0.876 -2.068 1.00 1.43 H new ATOM 0 HD11 LEU A 6 8.677 -1.841 -4.362 1.00 1.99 H new ATOM 0 HD12 LEU A 6 9.332 -3.020 -3.199 1.00 1.99 H new ATOM 0 HD13 LEU A 6 7.636 -3.136 -3.725 1.00 1.99 H new ATOM 0 HD21 LEU A 6 7.086 -0.123 -3.652 1.00 2.23 H new ATOM 0 HD22 LEU A 6 5.984 -1.357 -2.996 1.00 2.23 H new ATOM 0 HD23 LEU A 6 6.541 -0.021 -1.961 1.00 2.23 H new ATOM 81 N GLU A 7 8.025 0.678 0.319 1.00 0.83 N ATOM 82 CA GLU A 7 7.426 1.991 0.446 1.00 0.87 C ATOM 83 C GLU A 7 7.035 2.504 -0.932 1.00 0.86 C ATOM 84 O GLU A 7 7.854 2.485 -1.858 1.00 1.03 O ATOM 85 CB GLU A 7 8.418 2.975 1.060 1.00 0.99 C ATOM 86 CG GLU A 7 8.748 2.651 2.516 1.00 0.97 C ATOM 87 CD GLU A 7 9.096 3.932 3.255 1.00 1.24 C ATOM 88 OE1 GLU A 7 9.941 4.694 2.739 1.00 2.26 O ATOM 89 OE2 GLU A 7 8.379 4.282 4.220 1.00 2.02 O ATOM 0 H GLU A 7 8.985 0.713 -0.025 1.00 0.83 H new ATOM 0 HA GLU A 7 6.549 1.909 1.089 1.00 0.87 H new ATOM 0 HB2 GLU A 7 9.337 2.971 0.474 1.00 0.99 H new ATOM 0 HB3 GLU A 7 8.007 3.983 1.001 1.00 0.99 H new ATOM 0 HG2 GLU A 7 7.898 2.163 2.993 1.00 0.97 H new ATOM 0 HG3 GLU A 7 9.584 1.953 2.564 1.00 0.97 H new ATOM 96 N LEU A 8 5.805 3.003 -1.048 1.00 0.80 N ATOM 97 CA LEU A 8 5.312 3.647 -2.242 1.00 0.74 C ATOM 98 C LEU A 8 4.636 4.963 -1.867 1.00 0.72 C ATOM 99 O LEU A 8 3.833 5.013 -0.937 1.00 0.73 O ATOM 100 CB LEU A 8 4.428 2.698 -3.070 1.00 0.74 C ATOM 101 CG LEU A 8 3.258 2.039 -2.323 1.00 0.79 C ATOM 102 CD1 LEU A 8 2.215 1.582 -3.344 1.00 1.47 C ATOM 103 CD2 LEU A 8 3.662 0.781 -1.546 1.00 1.78 C ATOM 0 H LEU A 8 5.118 2.965 -0.295 1.00 0.80 H new ATOM 0 HA LEU A 8 6.145 3.894 -2.901 1.00 0.74 H new ATOM 0 HB2 LEU A 8 4.025 3.255 -3.915 1.00 0.74 H new ATOM 0 HB3 LEU A 8 5.060 1.910 -3.480 1.00 0.74 H new ATOM 0 HG LEU A 8 2.887 2.787 -1.623 1.00 0.79 H new ATOM 0 HD11 LEU A 8 1.379 1.112 -2.825 1.00 1.47 H new ATOM 0 HD12 LEU A 8 1.855 2.443 -3.907 1.00 1.47 H new ATOM 0 HD13 LEU A 8 2.666 0.864 -4.029 1.00 1.47 H new ATOM 0 HD21 LEU A 8 2.788 0.368 -1.043 1.00 1.78 H new ATOM 0 HD22 LEU A 8 4.067 0.041 -2.237 1.00 1.78 H new ATOM 0 HD23 LEU A 8 4.419 1.038 -0.805 1.00 1.78 H new ATOM 115 N VAL A 9 4.982 6.039 -2.577 1.00 0.76 N ATOM 116 CA VAL A 9 4.192 7.255 -2.520 1.00 0.72 C ATOM 117 C VAL A 9 2.897 6.923 -3.245 1.00 0.62 C ATOM 118 O VAL A 9 2.940 6.315 -4.313 1.00 0.71 O ATOM 119 CB VAL A 9 4.952 8.450 -3.124 1.00 0.83 C ATOM 120 CG1 VAL A 9 4.023 9.543 -3.670 1.00 0.94 C ATOM 121 CG2 VAL A 9 5.805 9.088 -2.022 1.00 1.06 C ATOM 0 H VAL A 9 5.796 6.087 -3.190 1.00 0.76 H new ATOM 0 HA VAL A 9 3.982 7.570 -1.498 1.00 0.72 H new ATOM 0 HB VAL A 9 5.546 8.064 -3.952 1.00 0.83 H new ATOM 0 HG11 VAL A 9 4.621 10.356 -4.081 1.00 0.94 H new ATOM 0 HG12 VAL A 9 3.391 9.125 -4.453 1.00 0.94 H new ATOM 0 HG13 VAL A 9 3.397 9.925 -2.863 1.00 0.94 H new ATOM 0 HG21 VAL A 9 6.352 9.938 -2.431 1.00 1.06 H new ATOM 0 HG22 VAL A 9 5.159 9.428 -1.213 1.00 1.06 H new ATOM 0 HG23 VAL A 9 6.512 8.353 -1.637 1.00 1.06 H new ATOM 131 N VAL A 10 1.755 7.273 -2.656 1.00 0.61 N ATOM 132 CA VAL A 10 0.463 7.064 -3.273 1.00 0.64 C ATOM 133 C VAL A 10 -0.319 8.369 -3.199 1.00 0.67 C ATOM 134 O VAL A 10 -0.405 8.977 -2.132 1.00 1.15 O ATOM 135 CB VAL A 10 -0.276 5.853 -2.678 1.00 0.76 C ATOM 136 CG1 VAL A 10 0.629 4.626 -2.551 1.00 1.66 C ATOM 137 CG2 VAL A 10 -0.878 6.116 -1.307 1.00 1.05 C ATOM 0 H VAL A 10 1.708 7.710 -1.735 1.00 0.61 H new ATOM 0 HA VAL A 10 0.586 6.803 -4.324 1.00 0.64 H new ATOM 0 HB VAL A 10 -1.080 5.665 -3.389 1.00 0.76 H new ATOM 0 HG11 VAL A 10 0.062 3.798 -2.126 1.00 1.66 H new ATOM 0 HG12 VAL A 10 1.000 4.344 -3.536 1.00 1.66 H new ATOM 0 HG13 VAL A 10 1.471 4.861 -1.900 1.00 1.66 H new ATOM 0 HG21 VAL A 10 -1.382 5.217 -0.953 1.00 1.05 H new ATOM 0 HG22 VAL A 10 -0.087 6.388 -0.608 1.00 1.05 H new ATOM 0 HG23 VAL A 10 -1.597 6.932 -1.376 1.00 1.05 H new ATOM 147 N ARG A 11 -0.863 8.822 -4.328 1.00 0.71 N ATOM 148 CA ARG A 11 -1.796 9.945 -4.360 1.00 0.87 C ATOM 149 C ARG A 11 -3.221 9.411 -4.491 1.00 0.92 C ATOM 150 O ARG A 11 -3.431 8.199 -4.486 1.00 1.10 O ATOM 151 CB ARG A 11 -1.479 10.846 -5.543 1.00 1.17 C ATOM 152 CG ARG A 11 -0.080 11.461 -5.541 1.00 1.14 C ATOM 153 CD ARG A 11 0.087 11.954 -6.975 1.00 2.10 C ATOM 154 NE ARG A 11 1.215 12.860 -7.167 1.00 2.43 N ATOM 155 CZ ARG A 11 1.454 13.412 -8.364 1.00 3.36 C ATOM 156 NH1 ARG A 11 0.693 13.062 -9.417 1.00 4.15 N ATOM 157 NH2 ARG A 11 2.444 14.306 -8.488 1.00 4.25 N ATOM 0 H ARG A 11 -0.669 8.420 -5.245 1.00 0.71 H new ATOM 0 HA ARG A 11 -1.702 10.520 -3.439 1.00 0.87 H new ATOM 0 HB2 ARG A 11 -1.603 10.270 -6.460 1.00 1.17 H new ATOM 0 HB3 ARG A 11 -2.212 11.652 -5.571 1.00 1.17 H new ATOM 0 HG2 ARG A 11 -0.000 12.277 -4.823 1.00 1.14 H new ATOM 0 HG3 ARG A 11 0.682 10.728 -5.276 1.00 1.14 H new ATOM 0 HD2 ARG A 11 0.211 11.093 -7.632 1.00 2.10 H new ATOM 0 HD3 ARG A 11 -0.828 12.460 -7.282 1.00 2.10 H new ATOM 0 HE ARG A 11 1.828 13.075 -6.381 1.00 2.43 H new ATOM 0 HH11 ARG A 11 -0.058 12.382 -9.300 1.00 4.15 H new ATOM 0 HH12 ARG A 11 0.867 13.477 -10.332 1.00 4.15 H new ATOM 0 HH21 ARG A 11 3.007 14.560 -7.676 1.00 4.25 H new ATOM 0 HH22 ARG A 11 2.635 14.733 -9.394 1.00 4.25 H new ATOM 171 N GLY A 12 -4.197 10.315 -4.600 1.00 1.15 N ATOM 172 CA GLY A 12 -5.614 9.995 -4.701 1.00 1.26 C ATOM 173 C GLY A 12 -6.288 10.095 -3.336 1.00 1.08 C ATOM 174 O GLY A 12 -7.469 10.419 -3.248 1.00 1.17 O ATOM 0 H GLY A 12 -4.013 11.318 -4.621 1.00 1.15 H new ATOM 0 HA2 GLY A 12 -6.097 10.677 -5.401 1.00 1.26 H new ATOM 0 HA3 GLY A 12 -5.737 8.988 -5.100 1.00 1.26 H new ATOM 178 N MET A 13 -5.534 9.850 -2.257 1.00 0.99 N ATOM 179 CA MET A 13 -6.004 10.101 -0.906 1.00 0.90 C ATOM 180 C MET A 13 -6.391 11.577 -0.780 1.00 1.25 C ATOM 181 O MET A 13 -5.558 12.447 -1.027 1.00 2.00 O ATOM 182 CB MET A 13 -4.913 9.734 0.102 1.00 0.98 C ATOM 183 CG MET A 13 -4.463 8.270 0.018 1.00 0.98 C ATOM 184 SD MET A 13 -3.350 7.764 1.352 1.00 1.36 S ATOM 185 CE MET A 13 -1.892 8.750 0.961 1.00 1.11 C ATOM 0 H MET A 13 -4.587 9.474 -2.305 1.00 0.99 H new ATOM 0 HA MET A 13 -6.879 9.486 -0.695 1.00 0.90 H new ATOM 0 HB2 MET A 13 -4.050 10.380 -0.059 1.00 0.98 H new ATOM 0 HB3 MET A 13 -5.278 9.935 1.109 1.00 0.98 H new ATOM 0 HG2 MET A 13 -5.344 7.629 0.031 1.00 0.98 H new ATOM 0 HG3 MET A 13 -3.965 8.108 -0.938 1.00 0.98 H new ATOM 0 HE1 MET A 13 -1.117 8.564 1.705 1.00 1.11 H new ATOM 0 HE2 MET A 13 -1.521 8.475 -0.026 1.00 1.11 H new ATOM 0 HE3 MET A 13 -2.156 9.808 0.968 1.00 1.11 H new ATOM 195 N THR A 14 -7.652 11.864 -0.440 1.00 1.14 N ATOM 196 CA THR A 14 -8.186 13.221 -0.488 1.00 1.58 C ATOM 197 C THR A 14 -9.374 13.363 0.475 1.00 2.05 C ATOM 198 O THR A 14 -10.405 13.945 0.150 1.00 3.51 O ATOM 199 CB THR A 14 -8.486 13.588 -1.959 1.00 2.04 C ATOM 200 OG1 THR A 14 -8.742 14.970 -2.094 1.00 2.82 O ATOM 201 CG2 THR A 14 -9.633 12.776 -2.578 1.00 2.15 C ATOM 0 H THR A 14 -8.324 11.164 -0.126 1.00 1.14 H new ATOM 0 HA THR A 14 -7.456 13.949 -0.134 1.00 1.58 H new ATOM 0 HB THR A 14 -7.585 13.327 -2.515 1.00 2.04 H new ATOM 0 HG1 THR A 14 -9.446 15.235 -1.466 1.00 2.82 H new ATOM 0 HG21 THR A 14 -9.785 13.090 -3.611 1.00 2.15 H new ATOM 0 HG22 THR A 14 -9.382 11.715 -2.554 1.00 2.15 H new ATOM 0 HG23 THR A 14 -10.547 12.946 -2.009 1.00 2.15 H new ATOM 209 N CYS A 15 -9.234 12.820 1.690 1.00 1.28 N ATOM 210 CA CYS A 15 -10.231 12.977 2.745 1.00 1.70 C ATOM 211 C CYS A 15 -9.627 12.597 4.099 1.00 1.64 C ATOM 212 O CYS A 15 -9.064 13.447 4.782 1.00 3.27 O ATOM 213 CB CYS A 15 -11.507 12.180 2.416 1.00 2.12 C ATOM 214 SG CYS A 15 -12.649 12.280 3.815 1.00 3.02 S ATOM 0 H CYS A 15 -8.426 12.261 1.965 1.00 1.28 H new ATOM 0 HA CYS A 15 -10.529 14.024 2.807 1.00 1.70 H new ATOM 0 HB2 CYS A 15 -11.978 12.579 1.518 1.00 2.12 H new ATOM 0 HB3 CYS A 15 -11.257 11.139 2.209 1.00 2.12 H new ATOM 0 HG CYS A 15 -13.729 11.611 3.542 1.00 3.02 H new ATOM 220 N ALA A 16 -9.714 11.318 4.472 1.00 1.29 N ATOM 221 CA ALA A 16 -9.280 10.781 5.755 1.00 1.14 C ATOM 222 C ALA A 16 -9.466 9.271 5.700 1.00 1.01 C ATOM 223 O ALA A 16 -8.491 8.525 5.732 1.00 1.93 O ATOM 224 CB ALA A 16 -10.097 11.375 6.909 1.00 1.46 C ATOM 0 H ALA A 16 -10.106 10.602 3.860 1.00 1.29 H new ATOM 0 HA ALA A 16 -8.236 11.039 5.935 1.00 1.14 H new ATOM 0 HB1 ALA A 16 -9.751 10.956 7.854 1.00 1.46 H new ATOM 0 HB2 ALA A 16 -9.971 12.458 6.925 1.00 1.46 H new ATOM 0 HB3 ALA A 16 -11.151 11.135 6.770 1.00 1.46 H new ATOM 230 N SER A 17 -10.728 8.844 5.536 1.00 0.58 N ATOM 231 CA SER A 17 -11.118 7.445 5.364 1.00 0.68 C ATOM 232 C SER A 17 -10.138 6.732 4.434 1.00 0.62 C ATOM 233 O SER A 17 -9.647 5.668 4.778 1.00 0.90 O ATOM 234 CB SER A 17 -12.566 7.356 4.861 1.00 0.99 C ATOM 235 OG SER A 17 -12.907 6.013 4.589 1.00 2.86 O ATOM 0 H SER A 17 -11.523 9.483 5.520 1.00 0.58 H new ATOM 0 HA SER A 17 -11.077 6.937 6.327 1.00 0.68 H new ATOM 0 HB2 SER A 17 -13.244 7.766 5.609 1.00 0.99 H new ATOM 0 HB3 SER A 17 -12.683 7.958 3.960 1.00 0.99 H new ATOM 0 HG SER A 17 -13.833 5.969 4.271 1.00 2.86 H new ATOM 241 N CYS A 18 -9.801 7.367 3.304 1.00 0.46 N ATOM 242 CA CYS A 18 -8.736 6.985 2.369 1.00 0.47 C ATOM 243 C CYS A 18 -7.604 6.169 3.008 1.00 0.45 C ATOM 244 O CYS A 18 -7.236 5.121 2.481 1.00 0.51 O ATOM 245 CB CYS A 18 -8.180 8.240 1.688 1.00 0.61 C ATOM 246 SG CYS A 18 -9.305 8.789 0.377 1.00 0.69 S ATOM 0 H CYS A 18 -10.292 8.208 3.001 1.00 0.46 H new ATOM 0 HA CYS A 18 -9.190 6.322 1.632 1.00 0.47 H new ATOM 0 HB2 CYS A 18 -8.050 9.035 2.423 1.00 0.61 H new ATOM 0 HB3 CYS A 18 -7.196 8.030 1.269 1.00 0.61 H new ATOM 0 HG CYS A 18 -9.717 9.995 0.635 1.00 0.69 H new ATOM 252 N VAL A 19 -7.073 6.618 4.149 1.00 0.46 N ATOM 253 CA VAL A 19 -6.082 5.873 4.918 1.00 0.49 C ATOM 254 C VAL A 19 -6.572 4.439 5.174 1.00 0.50 C ATOM 255 O VAL A 19 -5.996 3.474 4.673 1.00 0.50 O ATOM 256 CB VAL A 19 -5.784 6.642 6.222 1.00 0.59 C ATOM 257 CG1 VAL A 19 -4.833 5.883 7.155 1.00 0.69 C ATOM 258 CG2 VAL A 19 -5.150 8.005 5.905 1.00 0.67 C ATOM 0 H VAL A 19 -7.323 7.515 4.565 1.00 0.46 H new ATOM 0 HA VAL A 19 -5.151 5.785 4.358 1.00 0.49 H new ATOM 0 HB VAL A 19 -6.742 6.763 6.727 1.00 0.59 H new ATOM 0 HG11 VAL A 19 -4.660 6.472 8.056 1.00 0.69 H new ATOM 0 HG12 VAL A 19 -5.278 4.926 7.427 1.00 0.69 H new ATOM 0 HG13 VAL A 19 -3.885 5.711 6.646 1.00 0.69 H new ATOM 0 HG21 VAL A 19 -4.945 8.536 6.835 1.00 0.67 H new ATOM 0 HG22 VAL A 19 -4.218 7.855 5.360 1.00 0.67 H new ATOM 0 HG23 VAL A 19 -5.836 8.592 5.295 1.00 0.67 H new ATOM 268 N HIS A 20 -7.664 4.277 5.923 1.00 0.56 N ATOM 269 CA HIS A 20 -8.188 2.967 6.268 1.00 0.62 C ATOM 270 C HIS A 20 -8.751 2.265 5.028 1.00 0.54 C ATOM 271 O HIS A 20 -8.770 1.040 4.980 1.00 0.59 O ATOM 272 CB HIS A 20 -9.194 3.090 7.427 1.00 0.73 C ATOM 273 CG HIS A 20 -10.607 2.665 7.114 1.00 0.76 C ATOM 274 ND1 HIS A 20 -11.244 1.565 7.634 1.00 1.18 N ATOM 275 CD2 HIS A 20 -11.441 3.221 6.182 1.00 0.67 C ATOM 276 CE1 HIS A 20 -12.448 1.490 7.043 1.00 1.20 C ATOM 277 NE2 HIS A 20 -12.611 2.467 6.141 1.00 0.85 N ATOM 0 H HIS A 20 -8.205 5.053 6.304 1.00 0.56 H new ATOM 0 HA HIS A 20 -7.382 2.327 6.627 1.00 0.62 H new ATOM 0 HB2 HIS A 20 -8.831 2.493 8.264 1.00 0.73 H new ATOM 0 HB3 HIS A 20 -9.212 4.128 7.760 1.00 0.73 H new ATOM 0 HD2 HIS A 20 -11.228 4.094 5.582 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -13.190 0.738 7.267 1.00 1.20 H new ATOM 0 HE2 HIS A 20 -13.425 2.626 5.547 1.00 0.85 H new ATOM 285 N LYS A 21 -9.217 3.031 4.036 1.00 0.48 N ATOM 286 CA LYS A 21 -9.727 2.537 2.765 1.00 0.54 C ATOM 287 C LYS A 21 -8.669 1.639 2.140 1.00 0.54 C ATOM 288 O LYS A 21 -8.974 0.565 1.633 1.00 0.77 O ATOM 289 CB LYS A 21 -10.017 3.735 1.845 1.00 0.66 C ATOM 290 CG LYS A 21 -11.184 3.570 0.863 1.00 0.92 C ATOM 291 CD LYS A 21 -10.877 2.547 -0.240 1.00 1.18 C ATOM 292 CE LYS A 21 -11.805 2.724 -1.454 1.00 1.61 C ATOM 293 NZ LYS A 21 -11.382 3.819 -2.357 1.00 3.25 N ATOM 0 H LYS A 21 -9.248 4.048 4.105 1.00 0.48 H new ATOM 0 HA LYS A 21 -10.647 1.970 2.911 1.00 0.54 H new ATOM 0 HB2 LYS A 21 -10.216 4.606 2.470 1.00 0.66 H new ATOM 0 HB3 LYS A 21 -9.116 3.953 1.272 1.00 0.66 H new ATOM 0 HG2 LYS A 21 -12.074 3.256 1.409 1.00 0.92 H new ATOM 0 HG3 LYS A 21 -11.412 4.534 0.408 1.00 0.92 H new ATOM 0 HD2 LYS A 21 -9.839 2.653 -0.556 1.00 1.18 H new ATOM 0 HD3 LYS A 21 -10.987 1.538 0.158 1.00 1.18 H new ATOM 0 HE2 LYS A 21 -11.839 1.791 -2.016 1.00 1.61 H new ATOM 0 HE3 LYS A 21 -12.818 2.922 -1.103 1.00 1.61 H new ATOM 0 HZ1 LYS A 21 -12.107 3.966 -3.088 1.00 3.25 H new ATOM 0 HZ2 LYS A 21 -11.260 4.694 -1.808 1.00 3.25 H new ATOM 0 HZ3 LYS A 21 -10.481 3.567 -2.810 1.00 3.25 H new ATOM 307 N ILE A 22 -7.421 2.102 2.193 1.00 0.37 N ATOM 308 CA ILE A 22 -6.263 1.357 1.753 1.00 0.32 C ATOM 309 C ILE A 22 -6.034 0.271 2.793 1.00 0.36 C ATOM 310 O ILE A 22 -6.209 -0.912 2.512 1.00 0.52 O ATOM 311 CB ILE A 22 -5.063 2.315 1.628 1.00 0.35 C ATOM 312 CG1 ILE A 22 -5.288 3.284 0.469 1.00 0.33 C ATOM 313 CG2 ILE A 22 -3.748 1.566 1.425 1.00 0.57 C ATOM 314 CD1 ILE A 22 -4.333 4.473 0.413 1.00 0.50 C ATOM 0 H ILE A 22 -7.191 3.028 2.553 1.00 0.37 H new ATOM 0 HA ILE A 22 -6.402 0.900 0.773 1.00 0.32 H new ATOM 0 HB ILE A 22 -4.988 2.867 2.565 1.00 0.35 H new ATOM 0 HG12 ILE A 22 -5.206 2.730 -0.466 1.00 0.33 H new ATOM 0 HG13 ILE A 22 -6.309 3.662 0.527 1.00 0.33 H new ATOM 0 HG21 ILE A 22 -2.930 2.282 1.342 1.00 0.57 H new ATOM 0 HG22 ILE A 22 -3.569 0.908 2.275 1.00 0.57 H new ATOM 0 HG23 ILE A 22 -3.804 0.973 0.512 1.00 0.57 H new ATOM 0 HD11 ILE A 22 -4.579 5.097 -0.446 1.00 0.50 H new ATOM 0 HD12 ILE A 22 -4.428 5.059 1.327 1.00 0.50 H new ATOM 0 HD13 ILE A 22 -3.309 4.113 0.318 1.00 0.50 H new ATOM 326 N GLU A 23 -5.652 0.695 3.997 1.00 0.35 N ATOM 327 CA GLU A 23 -5.108 -0.159 5.038 1.00 0.43 C ATOM 328 C GLU A 23 -5.971 -1.404 5.252 1.00 0.46 C ATOM 329 O GLU A 23 -5.504 -2.535 5.103 1.00 0.49 O ATOM 330 CB GLU A 23 -4.949 0.689 6.313 1.00 0.64 C ATOM 331 CG GLU A 23 -3.575 0.489 6.952 1.00 0.99 C ATOM 332 CD GLU A 23 -3.230 1.656 7.857 1.00 2.13 C ATOM 333 OE1 GLU A 23 -3.879 1.770 8.917 1.00 2.69 O ATOM 334 OE2 GLU A 23 -2.340 2.427 7.435 1.00 3.55 O ATOM 0 H GLU A 23 -5.717 1.673 4.278 1.00 0.35 H new ATOM 0 HA GLU A 23 -4.130 -0.540 4.744 1.00 0.43 H new ATOM 0 HB2 GLU A 23 -5.088 1.742 6.070 1.00 0.64 H new ATOM 0 HB3 GLU A 23 -5.726 0.421 7.028 1.00 0.64 H new ATOM 0 HG2 GLU A 23 -3.567 -0.438 7.526 1.00 0.99 H new ATOM 0 HG3 GLU A 23 -2.818 0.389 6.174 1.00 0.99 H new ATOM 341 N SER A 24 -7.252 -1.164 5.537 1.00 0.55 N ATOM 342 CA SER A 24 -8.229 -2.185 5.896 1.00 0.74 C ATOM 343 C SER A 24 -8.563 -3.092 4.712 1.00 0.74 C ATOM 344 O SER A 24 -9.118 -4.174 4.894 1.00 1.10 O ATOM 345 CB SER A 24 -9.522 -1.535 6.412 1.00 1.01 C ATOM 346 OG SER A 24 -9.246 -0.440 7.262 1.00 2.83 O ATOM 0 H SER A 24 -7.647 -0.224 5.523 1.00 0.55 H new ATOM 0 HA SER A 24 -7.781 -2.793 6.682 1.00 0.74 H new ATOM 0 HB2 SER A 24 -10.124 -1.199 5.568 1.00 1.01 H new ATOM 0 HB3 SER A 24 -10.113 -2.276 6.951 1.00 1.01 H new ATOM 0 HG SER A 24 -10.064 0.081 7.401 1.00 2.83 H new ATOM 352 N SER A 25 -8.294 -2.628 3.489 1.00 0.69 N ATOM 353 CA SER A 25 -8.529 -3.405 2.291 1.00 0.76 C ATOM 354 C SER A 25 -7.289 -4.258 2.030 1.00 0.69 C ATOM 355 O SER A 25 -7.391 -5.467 1.842 1.00 1.18 O ATOM 356 CB SER A 25 -8.895 -2.458 1.144 1.00 0.85 C ATOM 357 OG SER A 25 -9.443 -3.159 0.037 1.00 1.11 O ATOM 0 H SER A 25 -7.907 -1.701 3.312 1.00 0.69 H new ATOM 0 HA SER A 25 -9.371 -4.089 2.396 1.00 0.76 H new ATOM 0 HB2 SER A 25 -9.613 -1.719 1.498 1.00 0.85 H new ATOM 0 HB3 SER A 25 -8.007 -1.912 0.825 1.00 0.85 H new ATOM 0 HG SER A 25 -9.666 -2.523 -0.675 1.00 1.11 H new ATOM 363 N LEU A 26 -6.096 -3.666 2.061 1.00 0.36 N ATOM 364 CA LEU A 26 -4.884 -4.422 1.797 1.00 0.47 C ATOM 365 C LEU A 26 -4.698 -5.558 2.798 1.00 0.49 C ATOM 366 O LEU A 26 -4.261 -6.639 2.410 1.00 0.59 O ATOM 367 CB LEU A 26 -3.654 -3.521 1.713 1.00 0.72 C ATOM 368 CG LEU A 26 -3.365 -3.019 0.296 1.00 0.95 C ATOM 369 CD1 LEU A 26 -3.032 -4.140 -0.700 1.00 2.25 C ATOM 370 CD2 LEU A 26 -4.510 -2.163 -0.262 1.00 2.28 C ATOM 0 H LEU A 26 -5.948 -2.677 2.264 1.00 0.36 H new ATOM 0 HA LEU A 26 -5.001 -4.881 0.815 1.00 0.47 H new ATOM 0 HB2 LEU A 26 -3.794 -2.665 2.373 1.00 0.72 H new ATOM 0 HB3 LEU A 26 -2.786 -4.068 2.081 1.00 0.72 H new ATOM 0 HG LEU A 26 -2.475 -2.399 0.403 1.00 0.95 H new ATOM 0 HD11 LEU A 26 -2.839 -3.709 -1.682 1.00 2.25 H new ATOM 0 HD12 LEU A 26 -2.147 -4.678 -0.360 1.00 2.25 H new ATOM 0 HD13 LEU A 26 -3.873 -4.830 -0.766 1.00 2.25 H new ATOM 0 HD21 LEU A 26 -4.258 -1.830 -1.269 1.00 2.28 H new ATOM 0 HD22 LEU A 26 -5.425 -2.755 -0.293 1.00 2.28 H new ATOM 0 HD23 LEU A 26 -4.661 -1.295 0.380 1.00 2.28 H new ATOM 382 N THR A 27 -5.078 -5.363 4.064 1.00 0.49 N ATOM 383 CA THR A 27 -5.002 -6.439 5.043 1.00 0.62 C ATOM 384 C THR A 27 -5.806 -7.689 4.644 1.00 0.83 C ATOM 385 O THR A 27 -5.545 -8.765 5.178 1.00 1.94 O ATOM 386 CB THR A 27 -5.441 -5.929 6.420 1.00 0.65 C ATOM 387 OG1 THR A 27 -6.629 -5.181 6.274 1.00 0.76 O ATOM 388 CG2 THR A 27 -4.379 -5.048 7.084 1.00 0.66 C ATOM 0 H THR A 27 -5.436 -4.480 4.427 1.00 0.49 H new ATOM 0 HA THR A 27 -3.959 -6.753 5.083 1.00 0.62 H new ATOM 0 HB THR A 27 -5.597 -6.798 7.059 1.00 0.65 H new ATOM 0 HG1 THR A 27 -6.918 -4.852 7.151 1.00 0.76 H new ATOM 0 HG21 THR A 27 -4.740 -4.713 8.056 1.00 0.66 H new ATOM 0 HG22 THR A 27 -3.461 -5.621 7.215 1.00 0.66 H new ATOM 0 HG23 THR A 27 -4.179 -4.182 6.453 1.00 0.66 H new ATOM 396 N LYS A 28 -6.770 -7.588 3.716 1.00 0.90 N ATOM 397 CA LYS A 28 -7.478 -8.762 3.213 1.00 0.86 C ATOM 398 C LYS A 28 -6.503 -9.704 2.496 1.00 0.74 C ATOM 399 O LYS A 28 -6.677 -10.921 2.520 1.00 0.97 O ATOM 400 CB LYS A 28 -8.597 -8.353 2.244 1.00 1.08 C ATOM 401 CG LYS A 28 -9.583 -7.337 2.849 1.00 1.61 C ATOM 402 CD LYS A 28 -10.659 -6.845 1.862 1.00 2.36 C ATOM 403 CE LYS A 28 -10.137 -6.566 0.437 1.00 2.26 C ATOM 404 NZ LYS A 28 -10.820 -5.437 -0.223 1.00 3.84 N ATOM 0 H LYS A 28 -7.072 -6.706 3.303 1.00 0.90 H new ATOM 0 HA LYS A 28 -7.921 -9.277 4.065 1.00 0.86 H new ATOM 0 HB2 LYS A 28 -8.152 -7.927 1.345 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -9.146 -9.243 1.937 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -10.074 -7.791 3.710 1.00 1.61 H new ATOM 0 HG3 LYS A 28 -9.023 -6.478 3.218 1.00 1.61 H new ATOM 0 HD2 LYS A 28 -11.452 -7.591 1.806 1.00 2.36 H new ATOM 0 HD3 LYS A 28 -11.107 -5.933 2.257 1.00 2.36 H new ATOM 0 HE2 LYS A 28 -9.068 -6.358 0.483 1.00 2.26 H new ATOM 0 HE3 LYS A 28 -10.262 -7.462 -0.170 1.00 2.26 H new ATOM 0 HZ1 LYS A 28 -10.687 -5.504 -1.252 1.00 3.84 H new ATOM 0 HZ2 LYS A 28 -11.836 -5.469 -0.003 1.00 3.84 H new ATOM 0 HZ3 LYS A 28 -10.420 -4.541 0.120 1.00 3.84 H new ATOM 418 N HIS A 29 -5.491 -9.144 1.824 1.00 0.63 N ATOM 419 CA HIS A 29 -4.496 -9.934 1.124 1.00 0.86 C ATOM 420 C HIS A 29 -3.597 -10.592 2.171 1.00 1.20 C ATOM 421 O HIS A 29 -2.780 -9.917 2.787 1.00 2.14 O ATOM 422 CB HIS A 29 -3.659 -9.056 0.187 1.00 0.95 C ATOM 423 CG HIS A 29 -4.411 -8.349 -0.910 1.00 0.72 C ATOM 424 ND1 HIS A 29 -4.165 -8.482 -2.259 1.00 1.33 N ATOM 425 CD2 HIS A 29 -5.276 -7.297 -0.760 1.00 0.72 C ATOM 426 CE1 HIS A 29 -4.900 -7.565 -2.898 1.00 1.78 C ATOM 427 NE2 HIS A 29 -5.605 -6.822 -2.029 1.00 1.49 N ATOM 0 H HIS A 29 -5.347 -8.137 1.756 1.00 0.63 H new ATOM 0 HA HIS A 29 -4.989 -10.690 0.512 1.00 0.86 H new ATOM 0 HB2 HIS A 29 -3.145 -8.306 0.788 1.00 0.95 H new ATOM 0 HB3 HIS A 29 -2.891 -9.679 -0.271 1.00 0.95 H new ATOM 0 HD1 HIS A 29 -3.536 -9.158 -2.692 1.00 1.33 H new ATOM 0 HD2 HIS A 29 -5.640 -6.904 0.178 1.00 0.72 H new ATOM 0 HE1 HIS A 29 -4.923 -7.439 -3.970 1.00 1.78 H new ATOM 435 N ARG A 30 -3.726 -11.907 2.365 1.00 1.29 N ATOM 436 CA ARG A 30 -3.022 -12.637 3.418 1.00 1.70 C ATOM 437 C ARG A 30 -1.502 -12.409 3.428 1.00 1.81 C ATOM 438 O ARG A 30 -0.875 -12.569 4.470 1.00 3.49 O ATOM 439 CB ARG A 30 -3.321 -14.138 3.317 1.00 2.27 C ATOM 440 CG ARG A 30 -4.822 -14.447 3.430 1.00 2.76 C ATOM 441 CD ARG A 30 -5.053 -15.942 3.682 1.00 3.40 C ATOM 442 NE ARG A 30 -4.467 -16.768 2.612 1.00 3.17 N ATOM 443 CZ ARG A 30 -4.320 -18.102 2.661 1.00 3.92 C ATOM 444 NH1 ARG A 30 -4.783 -18.783 3.715 1.00 4.81 N ATOM 445 NH2 ARG A 30 -3.712 -18.745 1.658 1.00 4.64 N ATOM 0 H ARG A 30 -4.327 -12.498 1.790 1.00 1.29 H new ATOM 0 HA ARG A 30 -3.399 -12.237 4.359 1.00 1.70 H new ATOM 0 HB2 ARG A 30 -2.946 -14.517 2.366 1.00 2.27 H new ATOM 0 HB3 ARG A 30 -2.784 -14.666 4.105 1.00 2.27 H new ATOM 0 HG2 ARG A 30 -5.257 -13.865 4.242 1.00 2.76 H new ATOM 0 HG3 ARG A 30 -5.330 -14.145 2.514 1.00 2.76 H new ATOM 0 HD2 ARG A 30 -4.615 -16.222 4.640 1.00 3.40 H new ATOM 0 HD3 ARG A 30 -6.123 -16.139 3.750 1.00 3.40 H new ATOM 0 HE ARG A 30 -4.148 -16.290 1.769 1.00 3.17 H new ATOM 0 HH11 ARG A 30 -5.246 -18.289 4.478 1.00 4.81 H new ATOM 0 HH12 ARG A 30 -4.673 -19.796 3.756 1.00 4.81 H new ATOM 0 HH21 ARG A 30 -3.360 -18.222 0.856 1.00 4.64 H new ATOM 0 HH22 ARG A 30 -3.600 -19.758 1.695 1.00 4.64 H new ATOM 459 N GLY A 31 -0.907 -12.070 2.281 1.00 0.76 N ATOM 460 CA GLY A 31 0.519 -11.783 2.184 1.00 0.88 C ATOM 461 C GLY A 31 0.931 -10.520 2.951 1.00 0.84 C ATOM 462 O GLY A 31 2.100 -10.358 3.289 1.00 1.18 O ATOM 0 H GLY A 31 -1.405 -11.988 1.395 1.00 0.76 H new ATOM 0 HA2 GLY A 31 1.082 -12.634 2.568 1.00 0.88 H new ATOM 0 HA3 GLY A 31 0.790 -11.668 1.134 1.00 0.88 H new ATOM 466 N ILE A 32 -0.003 -9.602 3.240 1.00 0.83 N ATOM 467 CA ILE A 32 0.300 -8.482 4.122 1.00 0.76 C ATOM 468 C ILE A 32 0.697 -9.031 5.492 1.00 0.93 C ATOM 469 O ILE A 32 -0.072 -9.738 6.139 1.00 1.38 O ATOM 470 CB ILE A 32 -0.885 -7.490 4.220 1.00 1.17 C ATOM 471 CG1 ILE A 32 -0.780 -6.314 3.247 1.00 0.75 C ATOM 472 CG2 ILE A 32 -1.055 -6.854 5.610 1.00 2.68 C ATOM 473 CD1 ILE A 32 -0.478 -6.707 1.808 1.00 2.97 C ATOM 0 H ILE A 32 -0.957 -9.617 2.879 1.00 0.83 H new ATOM 0 HA ILE A 32 1.133 -7.913 3.708 1.00 0.76 H new ATOM 0 HB ILE A 32 -1.736 -8.127 3.979 1.00 1.17 H new ATOM 0 HG12 ILE A 32 -1.717 -5.757 3.269 1.00 0.75 H new ATOM 0 HG13 ILE A 32 0.001 -5.639 3.597 1.00 0.75 H new ATOM 0 HG21 ILE A 32 -1.905 -6.172 5.597 1.00 2.68 H new ATOM 0 HG22 ILE A 32 -1.229 -7.636 6.349 1.00 2.68 H new ATOM 0 HG23 ILE A 32 -0.152 -6.302 5.871 1.00 2.68 H new ATOM 0 HD11 ILE A 32 -0.422 -5.811 1.190 1.00 2.97 H new ATOM 0 HD12 ILE A 32 0.474 -7.236 1.767 1.00 2.97 H new ATOM 0 HD13 ILE A 32 -1.270 -7.356 1.434 1.00 2.97 H new ATOM 485 N LEU A 33 1.883 -8.636 5.945 1.00 0.98 N ATOM 486 CA LEU A 33 2.289 -8.734 7.330 1.00 1.42 C ATOM 487 C LEU A 33 1.758 -7.498 8.060 1.00 1.34 C ATOM 488 O LEU A 33 1.197 -7.616 9.146 1.00 1.56 O ATOM 489 CB LEU A 33 3.818 -8.849 7.390 1.00 1.80 C ATOM 490 CG LEU A 33 4.387 -8.947 8.811 1.00 2.03 C ATOM 491 CD1 LEU A 33 3.850 -10.178 9.548 1.00 2.13 C ATOM 492 CD2 LEU A 33 5.912 -9.032 8.706 1.00 3.26 C ATOM 0 H LEU A 33 2.599 -8.231 5.341 1.00 0.98 H new ATOM 0 HA LEU A 33 1.881 -9.619 7.818 1.00 1.42 H new ATOM 0 HB2 LEU A 33 4.127 -9.729 6.826 1.00 1.80 H new ATOM 0 HB3 LEU A 33 4.256 -7.982 6.895 1.00 1.80 H new ATOM 0 HG LEU A 33 4.083 -8.068 9.379 1.00 2.03 H new ATOM 0 HD11 LEU A 33 4.274 -10.215 10.551 1.00 2.13 H new ATOM 0 HD12 LEU A 33 2.764 -10.117 9.615 1.00 2.13 H new ATOM 0 HD13 LEU A 33 4.129 -11.079 9.002 1.00 2.13 H new ATOM 0 HD21 LEU A 33 6.342 -9.103 9.705 1.00 3.26 H new ATOM 0 HD22 LEU A 33 6.188 -9.914 8.129 1.00 3.26 H new ATOM 0 HD23 LEU A 33 6.293 -8.140 8.209 1.00 3.26 H new ATOM 504 N TYR A 34 1.920 -6.310 7.460 1.00 1.09 N ATOM 505 CA TYR A 34 1.473 -5.056 8.059 1.00 1.02 C ATOM 506 C TYR A 34 1.413 -3.937 7.013 1.00 0.89 C ATOM 507 O TYR A 34 2.459 -3.521 6.521 1.00 1.25 O ATOM 508 CB TYR A 34 2.455 -4.690 9.177 1.00 1.12 C ATOM 509 CG TYR A 34 2.198 -3.359 9.848 1.00 1.20 C ATOM 510 CD1 TYR A 34 1.264 -3.266 10.894 1.00 1.33 C ATOM 511 CD2 TYR A 34 2.953 -2.233 9.479 1.00 2.92 C ATOM 512 CE1 TYR A 34 1.134 -2.064 11.611 1.00 1.40 C ATOM 513 CE2 TYR A 34 2.887 -1.060 10.250 1.00 3.07 C ATOM 514 CZ TYR A 34 1.939 -0.960 11.285 1.00 1.56 C ATOM 515 OH TYR A 34 1.815 0.198 11.992 1.00 1.81 O ATOM 0 H TYR A 34 2.364 -6.197 6.549 1.00 1.09 H new ATOM 0 HA TYR A 34 0.467 -5.178 8.461 1.00 1.02 H new ATOM 0 HB2 TYR A 34 2.426 -5.473 9.935 1.00 1.12 H new ATOM 0 HB3 TYR A 34 3.464 -4.682 8.765 1.00 1.12 H new ATOM 0 HD1 TYR A 34 0.648 -4.116 11.146 1.00 1.33 H new ATOM 0 HD2 TYR A 34 3.584 -2.269 8.603 1.00 2.92 H new ATOM 0 HE1 TYR A 34 0.415 -1.989 12.413 1.00 1.40 H new ATOM 0 HE2 TYR A 34 3.560 -0.240 10.049 1.00 3.07 H new ATOM 0 HH TYR A 34 2.443 0.864 11.642 1.00 1.81 H new ATOM 525 N CYS A 35 0.224 -3.410 6.693 1.00 0.85 N ATOM 526 CA CYS A 35 0.124 -2.158 5.938 1.00 0.72 C ATOM 527 C CYS A 35 0.390 -0.992 6.886 1.00 0.84 C ATOM 528 O CYS A 35 0.276 -1.140 8.103 1.00 1.22 O ATOM 529 CB CYS A 35 -1.249 -1.924 5.286 1.00 0.62 C ATOM 530 SG CYS A 35 -2.058 -3.425 4.712 1.00 2.13 S ATOM 0 H CYS A 35 -0.673 -3.827 6.943 1.00 0.85 H new ATOM 0 HA CYS A 35 0.857 -2.228 5.135 1.00 0.72 H new ATOM 0 HB2 CYS A 35 -1.900 -1.426 6.005 1.00 0.62 H new ATOM 0 HB3 CYS A 35 -1.127 -1.245 4.442 1.00 0.62 H new ATOM 0 HG CYS A 35 -3.329 -3.201 4.559 1.00 2.13 H new ATOM 536 N SER A 36 0.707 0.176 6.333 1.00 0.70 N ATOM 537 CA SER A 36 0.801 1.414 7.090 1.00 0.82 C ATOM 538 C SER A 36 0.838 2.577 6.107 1.00 0.71 C ATOM 539 O SER A 36 1.921 2.921 5.620 1.00 0.78 O ATOM 540 CB SER A 36 2.035 1.353 8.000 1.00 1.24 C ATOM 541 OG SER A 36 2.617 2.616 8.266 1.00 2.33 O ATOM 0 H SER A 36 0.907 0.287 5.339 1.00 0.70 H new ATOM 0 HA SER A 36 -0.063 1.558 7.738 1.00 0.82 H new ATOM 0 HB2 SER A 36 1.754 0.887 8.945 1.00 1.24 H new ATOM 0 HB3 SER A 36 2.783 0.710 7.537 1.00 1.24 H new ATOM 0 HG SER A 36 3.291 2.524 8.972 1.00 2.33 H new ATOM 547 N VAL A 37 -0.318 3.177 5.814 1.00 0.65 N ATOM 548 CA VAL A 37 -0.416 4.350 4.976 1.00 0.59 C ATOM 549 C VAL A 37 -0.681 5.619 5.791 1.00 0.53 C ATOM 550 O VAL A 37 -1.324 5.581 6.836 1.00 0.64 O ATOM 551 CB VAL A 37 -1.458 4.045 3.896 1.00 0.73 C ATOM 552 CG1 VAL A 37 -2.793 3.599 4.497 1.00 1.49 C ATOM 553 CG2 VAL A 37 -1.690 5.226 2.965 1.00 2.11 C ATOM 0 H VAL A 37 -1.219 2.849 6.162 1.00 0.65 H new ATOM 0 HA VAL A 37 0.532 4.570 4.485 1.00 0.59 H new ATOM 0 HB VAL A 37 -1.044 3.223 3.312 1.00 0.73 H new ATOM 0 HG11 VAL A 37 -3.502 3.393 3.695 1.00 1.49 H new ATOM 0 HG12 VAL A 37 -2.642 2.696 5.089 1.00 1.49 H new ATOM 0 HG13 VAL A 37 -3.187 4.390 5.136 1.00 1.49 H new ATOM 0 HG21 VAL A 37 -2.437 4.959 2.218 1.00 2.11 H new ATOM 0 HG22 VAL A 37 -2.044 6.080 3.542 1.00 2.11 H new ATOM 0 HG23 VAL A 37 -0.756 5.486 2.467 1.00 2.11 H new ATOM 563 N ALA A 38 -0.164 6.756 5.315 1.00 0.55 N ATOM 564 CA ALA A 38 -0.413 8.062 5.903 1.00 0.59 C ATOM 565 C ALA A 38 -0.579 9.102 4.804 1.00 0.53 C ATOM 566 O ALA A 38 0.204 9.154 3.850 1.00 0.48 O ATOM 567 CB ALA A 38 0.724 8.472 6.832 1.00 0.69 C ATOM 0 H ALA A 38 0.447 6.788 4.499 1.00 0.55 H new ATOM 0 HA ALA A 38 -1.330 8.001 6.490 1.00 0.59 H new ATOM 0 HB1 ALA A 38 0.511 9.453 7.257 1.00 0.69 H new ATOM 0 HB2 ALA A 38 0.819 7.741 7.635 1.00 0.69 H new ATOM 0 HB3 ALA A 38 1.656 8.516 6.269 1.00 0.69 H new ATOM 573 N LEU A 39 -1.602 9.944 4.965 1.00 0.61 N ATOM 574 CA LEU A 39 -1.961 10.944 3.973 1.00 0.64 C ATOM 575 C LEU A 39 -0.961 12.094 3.980 1.00 0.63 C ATOM 576 O LEU A 39 -0.554 12.553 2.919 1.00 0.67 O ATOM 577 CB LEU A 39 -3.435 11.365 4.098 1.00 0.91 C ATOM 578 CG LEU A 39 -3.778 12.282 5.286 1.00 0.80 C ATOM 579 CD1 LEU A 39 -3.665 13.764 4.898 1.00 1.41 C ATOM 580 CD2 LEU A 39 -5.223 12.021 5.732 1.00 1.21 C ATOM 0 H LEU A 39 -2.202 9.947 5.790 1.00 0.61 H new ATOM 0 HA LEU A 39 -1.890 10.503 2.979 1.00 0.64 H new ATOM 0 HB2 LEU A 39 -3.726 11.872 3.178 1.00 0.91 H new ATOM 0 HB3 LEU A 39 -4.044 10.464 4.173 1.00 0.91 H new ATOM 0 HG LEU A 39 -3.073 12.064 6.088 1.00 0.80 H new ATOM 0 HD11 LEU A 39 -3.913 14.385 5.758 1.00 1.41 H new ATOM 0 HD12 LEU A 39 -2.646 13.979 4.577 1.00 1.41 H new ATOM 0 HD13 LEU A 39 -4.355 13.980 4.083 1.00 1.41 H new ATOM 0 HD21 LEU A 39 -5.467 12.670 6.573 1.00 1.21 H new ATOM 0 HD22 LEU A 39 -5.902 12.228 4.905 1.00 1.21 H new ATOM 0 HD23 LEU A 39 -5.328 10.979 6.035 1.00 1.21 H new ATOM 592 N ALA A 40 -0.511 12.513 5.168 1.00 0.69 N ATOM 593 CA ALA A 40 0.456 13.595 5.318 1.00 0.81 C ATOM 594 C ALA A 40 1.726 13.287 4.524 1.00 0.78 C ATOM 595 O ALA A 40 2.229 14.130 3.787 1.00 0.94 O ATOM 596 CB ALA A 40 0.770 13.803 6.801 1.00 0.96 C ATOM 0 H ALA A 40 -0.812 12.106 6.054 1.00 0.69 H new ATOM 0 HA ALA A 40 0.030 14.517 4.922 1.00 0.81 H new ATOM 0 HB1 ALA A 40 1.493 14.612 6.910 1.00 0.96 H new ATOM 0 HB2 ALA A 40 -0.145 14.060 7.334 1.00 0.96 H new ATOM 0 HB3 ALA A 40 1.187 12.886 7.217 1.00 0.96 H new ATOM 602 N THR A 41 2.223 12.058 4.659 1.00 0.68 N ATOM 603 CA THR A 41 3.394 11.573 3.957 1.00 0.69 C ATOM 604 C THR A 41 3.073 11.275 2.492 1.00 0.64 C ATOM 605 O THR A 41 3.983 11.092 1.687 1.00 0.79 O ATOM 606 CB THR A 41 3.879 10.311 4.687 1.00 0.84 C ATOM 607 OG1 THR A 41 3.568 10.403 6.067 1.00 1.95 O ATOM 608 CG2 THR A 41 5.389 10.113 4.522 1.00 1.71 C ATOM 0 H THR A 41 1.807 11.361 5.276 1.00 0.68 H new ATOM 0 HA THR A 41 4.176 12.332 3.955 1.00 0.69 H new ATOM 0 HB THR A 41 3.369 9.455 4.245 1.00 0.84 H new ATOM 0 HG1 THR A 41 3.878 9.595 6.527 1.00 1.95 H new ATOM 0 HG21 THR A 41 5.698 9.211 5.051 1.00 1.71 H new ATOM 0 HG22 THR A 41 5.629 10.013 3.464 1.00 1.71 H new ATOM 0 HG23 THR A 41 5.916 10.974 4.934 1.00 1.71 H new ATOM 616 N ASN A 42 1.783 11.181 2.147 1.00 0.60 N ATOM 617 CA ASN A 42 1.329 10.757 0.833 1.00 0.71 C ATOM 618 C ASN A 42 1.934 9.393 0.510 1.00 0.70 C ATOM 619 O ASN A 42 2.285 9.121 -0.635 1.00 0.83 O ATOM 620 CB ASN A 42 1.656 11.851 -0.210 1.00 0.93 C ATOM 621 CG ASN A 42 0.394 12.469 -0.789 1.00 1.42 C ATOM 622 OD1 ASN A 42 0.191 13.676 -0.728 1.00 2.39 O ATOM 623 ND2 ASN A 42 -0.468 11.649 -1.373 1.00 2.69 N ATOM 0 H ASN A 42 1.021 11.402 2.788 1.00 0.60 H new ATOM 0 HA ASN A 42 0.246 10.633 0.812 1.00 0.71 H new ATOM 0 HB2 ASN A 42 2.262 12.629 0.256 1.00 0.93 H new ATOM 0 HB3 ASN A 42 2.253 11.421 -1.014 1.00 0.93 H new ATOM 0 HD21 ASN A 42 -1.325 12.019 -1.785 1.00 2.69 H new ATOM 0 HD22 ASN A 42 -0.275 10.648 -1.410 1.00 2.69 H new ATOM 630 N LYS A 43 2.067 8.531 1.526 1.00 0.64 N ATOM 631 CA LYS A 43 2.846 7.309 1.414 1.00 0.71 C ATOM 632 C LYS A 43 2.096 6.139 2.030 1.00 0.65 C ATOM 633 O LYS A 43 1.580 6.262 3.138 1.00 0.81 O ATOM 634 CB LYS A 43 4.230 7.478 2.061 1.00 0.96 C ATOM 635 CG LYS A 43 5.180 6.345 1.636 1.00 1.50 C ATOM 636 CD LYS A 43 6.315 6.101 2.635 1.00 1.05 C ATOM 637 CE LYS A 43 7.409 7.174 2.598 1.00 1.01 C ATOM 638 NZ LYS A 43 8.572 6.769 3.415 1.00 1.27 N ATOM 0 H LYS A 43 1.637 8.667 2.441 1.00 0.64 H new ATOM 0 HA LYS A 43 2.997 7.097 0.356 1.00 0.71 H new ATOM 0 HB2 LYS A 43 4.654 8.440 1.774 1.00 0.96 H new ATOM 0 HB3 LYS A 43 4.129 7.485 3.146 1.00 0.96 H new ATOM 0 HG2 LYS A 43 4.607 5.426 1.516 1.00 1.50 H new ATOM 0 HG3 LYS A 43 5.607 6.584 0.662 1.00 1.50 H new ATOM 0 HD2 LYS A 43 5.898 6.054 3.641 1.00 1.05 H new ATOM 0 HD3 LYS A 43 6.764 5.129 2.431 1.00 1.05 H new ATOM 0 HE2 LYS A 43 7.724 7.343 1.568 1.00 1.01 H new ATOM 0 HE3 LYS A 43 7.010 8.119 2.968 1.00 1.01 H new ATOM 0 HZ1 LYS A 43 8.978 7.606 3.880 1.00 1.27 H new ATOM 0 HZ2 LYS A 43 8.268 6.086 4.137 1.00 1.27 H new ATOM 0 HZ3 LYS A 43 9.290 6.330 2.804 1.00 1.27 H new ATOM 652 N ALA A 44 2.099 5.006 1.323 1.00 0.60 N ATOM 653 CA ALA A 44 1.808 3.696 1.872 1.00 0.63 C ATOM 654 C ALA A 44 3.127 2.947 1.999 1.00 0.70 C ATOM 655 O ALA A 44 3.838 2.814 1.003 1.00 0.77 O ATOM 656 CB ALA A 44 0.815 2.954 0.974 1.00 0.65 C ATOM 0 H ALA A 44 2.311 4.983 0.326 1.00 0.60 H new ATOM 0 HA ALA A 44 1.342 3.778 2.854 1.00 0.63 H new ATOM 0 HB1 ALA A 44 0.605 1.972 1.398 1.00 0.65 H new ATOM 0 HB2 ALA A 44 -0.111 3.525 0.906 1.00 0.65 H new ATOM 0 HB3 ALA A 44 1.243 2.836 -0.022 1.00 0.65 H new ATOM 662 N HIS A 45 3.461 2.456 3.197 1.00 0.77 N ATOM 663 CA HIS A 45 4.375 1.331 3.289 1.00 0.85 C ATOM 664 C HIS A 45 3.548 0.085 3.526 1.00 0.75 C ATOM 665 O HIS A 45 2.508 0.144 4.188 1.00 0.79 O ATOM 666 CB HIS A 45 5.495 1.526 4.319 1.00 1.14 C ATOM 667 CG HIS A 45 5.230 1.106 5.746 1.00 1.05 C ATOM 668 ND1 HIS A 45 5.474 1.898 6.841 1.00 1.33 N ATOM 669 CD2 HIS A 45 5.107 -0.186 6.197 1.00 1.01 C ATOM 670 CE1 HIS A 45 5.478 1.106 7.924 1.00 1.43 C ATOM 671 NE2 HIS A 45 5.274 -0.183 7.588 1.00 1.23 N ATOM 0 H HIS A 45 3.119 2.813 4.089 1.00 0.77 H new ATOM 0 HA HIS A 45 4.921 1.234 2.351 1.00 0.85 H new ATOM 0 HB2 HIS A 45 6.370 0.979 3.968 1.00 1.14 H new ATOM 0 HB3 HIS A 45 5.761 2.583 4.326 1.00 1.14 H new ATOM 0 HD1 HIS A 45 5.625 2.907 6.833 1.00 1.33 H new ATOM 0 HD2 HIS A 45 4.915 -1.055 5.585 1.00 1.01 H new ATOM 0 HE1 HIS A 45 5.626 1.456 8.935 1.00 1.43 H new ATOM 679 N ILE A 46 4.024 -1.040 3.000 1.00 0.67 N ATOM 680 CA ILE A 46 3.510 -2.334 3.383 1.00 0.63 C ATOM 681 C ILE A 46 4.710 -3.211 3.725 1.00 0.74 C ATOM 682 O ILE A 46 5.733 -3.156 3.038 1.00 0.81 O ATOM 683 CB ILE A 46 2.612 -2.938 2.285 1.00 0.58 C ATOM 684 CG1 ILE A 46 1.413 -2.056 1.891 1.00 0.74 C ATOM 685 CG2 ILE A 46 1.985 -4.223 2.823 1.00 1.05 C ATOM 686 CD1 ILE A 46 1.730 -1.052 0.785 1.00 0.94 C ATOM 0 H ILE A 46 4.769 -1.072 2.304 1.00 0.67 H new ATOM 0 HA ILE A 46 2.861 -2.252 4.255 1.00 0.63 H new ATOM 0 HB ILE A 46 3.261 -3.070 1.420 1.00 0.58 H new ATOM 0 HG12 ILE A 46 0.593 -2.696 1.565 1.00 0.74 H new ATOM 0 HG13 ILE A 46 1.065 -1.516 2.772 1.00 0.74 H new ATOM 0 HG21 ILE A 46 1.346 -4.664 2.058 1.00 1.05 H new ATOM 0 HG22 ILE A 46 2.772 -4.928 3.089 1.00 1.05 H new ATOM 0 HG23 ILE A 46 1.389 -3.995 3.707 1.00 1.05 H new ATOM 0 HD11 ILE A 46 0.839 -0.466 0.560 1.00 0.94 H new ATOM 0 HD12 ILE A 46 2.528 -0.387 1.115 1.00 0.94 H new ATOM 0 HD13 ILE A 46 2.049 -1.586 -0.110 1.00 0.94 H new ATOM 698 N LYS A 47 4.566 -3.998 4.793 1.00 0.84 N ATOM 699 CA LYS A 47 5.375 -5.160 5.097 1.00 0.90 C ATOM 700 C LYS A 47 4.603 -6.375 4.602 1.00 0.79 C ATOM 701 O LYS A 47 3.435 -6.540 4.972 1.00 0.94 O ATOM 702 CB LYS A 47 5.624 -5.272 6.599 1.00 1.10 C ATOM 703 CG LYS A 47 6.117 -3.948 7.185 1.00 1.05 C ATOM 704 CD LYS A 47 6.666 -4.218 8.587 1.00 1.11 C ATOM 705 CE LYS A 47 7.294 -2.961 9.202 1.00 1.36 C ATOM 706 NZ LYS A 47 6.307 -1.889 9.450 1.00 2.91 N ATOM 0 H LYS A 47 3.847 -3.827 5.496 1.00 0.84 H new ATOM 0 HA LYS A 47 6.349 -5.085 4.613 1.00 0.90 H new ATOM 0 HB2 LYS A 47 4.704 -5.573 7.100 1.00 1.10 H new ATOM 0 HB3 LYS A 47 6.361 -6.052 6.790 1.00 1.10 H new ATOM 0 HG2 LYS A 47 6.891 -3.517 6.551 1.00 1.05 H new ATOM 0 HG3 LYS A 47 5.302 -3.225 7.229 1.00 1.05 H new ATOM 0 HD2 LYS A 47 5.862 -4.575 9.230 1.00 1.11 H new ATOM 0 HD3 LYS A 47 7.412 -5.011 8.539 1.00 1.11 H new ATOM 0 HE2 LYS A 47 7.780 -3.226 10.141 1.00 1.36 H new ATOM 0 HE3 LYS A 47 8.071 -2.586 8.536 1.00 1.36 H new ATOM 0 HZ1 LYS A 47 6.618 -1.310 10.256 1.00 2.91 H new ATOM 0 HZ2 LYS A 47 6.226 -1.289 8.604 1.00 2.91 H new ATOM 0 HZ3 LYS A 47 5.381 -2.312 9.665 1.00 2.91 H new ATOM 720 N TYR A 48 5.214 -7.179 3.736 1.00 0.80 N ATOM 721 CA TYR A 48 4.565 -8.279 3.043 1.00 0.67 C ATOM 722 C TYR A 48 5.650 -9.116 2.377 1.00 0.76 C ATOM 723 O TYR A 48 6.788 -8.663 2.307 1.00 0.87 O ATOM 724 CB TYR A 48 3.606 -7.745 1.970 1.00 0.59 C ATOM 725 CG TYR A 48 4.282 -6.974 0.852 1.00 0.70 C ATOM 726 CD1 TYR A 48 4.669 -5.642 1.049 1.00 2.24 C ATOM 727 CD2 TYR A 48 4.575 -7.598 -0.370 1.00 1.42 C ATOM 728 CE1 TYR A 48 5.252 -4.906 0.008 1.00 2.51 C ATOM 729 CE2 TYR A 48 5.159 -6.868 -1.418 1.00 1.43 C ATOM 730 CZ TYR A 48 5.490 -5.518 -1.231 1.00 1.32 C ATOM 731 OH TYR A 48 6.062 -4.816 -2.247 1.00 1.75 O ATOM 0 H TYR A 48 6.199 -7.078 3.493 1.00 0.80 H new ATOM 0 HA TYR A 48 3.991 -8.876 3.752 1.00 0.67 H new ATOM 0 HB2 TYR A 48 3.060 -8.584 1.538 1.00 0.59 H new ATOM 0 HB3 TYR A 48 2.870 -7.098 2.447 1.00 0.59 H new ATOM 0 HD1 TYR A 48 4.517 -5.178 2.012 1.00 2.24 H new ATOM 0 HD2 TYR A 48 4.350 -8.646 -0.505 1.00 1.42 H new ATOM 0 HE1 TYR A 48 5.517 -3.870 0.160 1.00 2.51 H new ATOM 0 HE2 TYR A 48 5.353 -7.346 -2.367 1.00 1.43 H new ATOM 0 HH TYR A 48 6.155 -5.394 -3.033 1.00 1.75 H new ATOM 741 N ASP A 49 5.318 -10.282 1.822 1.00 0.91 N ATOM 742 CA ASP A 49 6.282 -11.092 1.084 1.00 1.11 C ATOM 743 C ASP A 49 6.316 -10.634 -0.381 1.00 1.22 C ATOM 744 O ASP A 49 5.352 -10.888 -1.113 1.00 1.35 O ATOM 745 CB ASP A 49 5.954 -12.598 1.183 1.00 1.40 C ATOM 746 CG ASP A 49 4.632 -12.953 1.849 1.00 2.23 C ATOM 747 OD1 ASP A 49 3.624 -12.300 1.494 1.00 3.89 O ATOM 748 OD2 ASP A 49 4.655 -13.882 2.681 1.00 2.72 O ATOM 0 H ASP A 49 4.383 -10.687 1.871 1.00 0.91 H new ATOM 0 HA ASP A 49 7.267 -10.951 1.529 1.00 1.11 H new ATOM 0 HB2 ASP A 49 5.954 -13.016 0.176 1.00 1.40 H new ATOM 0 HB3 ASP A 49 6.758 -13.089 1.732 1.00 1.40 H new ATOM 753 N PRO A 50 7.392 -9.991 -0.879 1.00 1.27 N ATOM 754 CA PRO A 50 7.505 -9.615 -2.285 1.00 1.39 C ATOM 755 C PRO A 50 7.845 -10.845 -3.142 1.00 1.61 C ATOM 756 O PRO A 50 8.818 -10.842 -3.894 1.00 2.58 O ATOM 757 CB PRO A 50 8.606 -8.548 -2.312 1.00 1.52 C ATOM 758 CG PRO A 50 9.552 -9.038 -1.217 1.00 1.51 C ATOM 759 CD PRO A 50 8.582 -9.563 -0.157 1.00 1.29 C ATOM 0 HA PRO A 50 6.577 -9.225 -2.703 1.00 1.39 H new ATOM 0 HB2 PRO A 50 9.099 -8.495 -3.283 1.00 1.52 H new ATOM 0 HB3 PRO A 50 8.215 -7.553 -2.098 1.00 1.52 H new ATOM 0 HG2 PRO A 50 10.221 -9.819 -1.578 1.00 1.51 H new ATOM 0 HG3 PRO A 50 10.179 -8.234 -0.832 1.00 1.51 H new ATOM 0 HD2 PRO A 50 9.021 -10.392 0.397 1.00 1.29 H new ATOM 0 HD3 PRO A 50 8.340 -8.787 0.569 1.00 1.29 H new ATOM 767 N GLU A 51 7.062 -11.912 -2.973 1.00 1.64 N ATOM 768 CA GLU A 51 7.404 -13.282 -3.312 1.00 1.40 C ATOM 769 C GLU A 51 6.125 -13.974 -3.787 1.00 1.46 C ATOM 770 O GLU A 51 6.047 -14.424 -4.927 1.00 2.04 O ATOM 771 CB GLU A 51 7.978 -13.988 -2.066 1.00 1.58 C ATOM 772 CG GLU A 51 9.196 -13.282 -1.447 1.00 2.58 C ATOM 773 CD GLU A 51 9.439 -13.731 -0.018 1.00 3.20 C ATOM 774 OE1 GLU A 51 9.778 -14.912 0.190 1.00 3.23 O ATOM 775 OE2 GLU A 51 9.358 -12.879 0.896 1.00 4.39 O ATOM 0 H GLU A 51 6.126 -11.833 -2.575 1.00 1.64 H new ATOM 0 HA GLU A 51 8.157 -13.318 -4.099 1.00 1.40 H new ATOM 0 HB2 GLU A 51 7.194 -14.064 -1.312 1.00 1.58 H new ATOM 0 HB3 GLU A 51 8.260 -15.005 -2.336 1.00 1.58 H new ATOM 0 HG2 GLU A 51 10.081 -13.489 -2.049 1.00 2.58 H new ATOM 0 HG3 GLU A 51 9.041 -12.203 -1.468 1.00 2.58 H new ATOM 782 N ILE A 52 5.118 -14.038 -2.905 1.00 1.06 N ATOM 783 CA ILE A 52 3.834 -14.669 -3.182 1.00 1.13 C ATOM 784 C ILE A 52 2.803 -13.650 -3.668 1.00 1.10 C ATOM 785 O ILE A 52 2.283 -13.768 -4.773 1.00 1.49 O ATOM 786 CB ILE A 52 3.340 -15.488 -1.974 1.00 1.06 C ATOM 787 CG1 ILE A 52 3.580 -14.838 -0.601 1.00 0.80 C ATOM 788 CG2 ILE A 52 3.996 -16.877 -2.006 1.00 1.47 C ATOM 789 CD1 ILE A 52 2.595 -15.396 0.436 1.00 1.01 C ATOM 0 H ILE A 52 5.181 -13.645 -1.966 1.00 1.06 H new ATOM 0 HA ILE A 52 3.976 -15.376 -3.999 1.00 1.13 H new ATOM 0 HB ILE A 52 2.257 -15.548 -2.079 1.00 1.06 H new ATOM 0 HG12 ILE A 52 4.604 -15.025 -0.277 1.00 0.80 H new ATOM 0 HG13 ILE A 52 3.463 -13.757 -0.678 1.00 0.80 H new ATOM 0 HG21 ILE A 52 3.651 -17.462 -1.154 1.00 1.47 H new ATOM 0 HG22 ILE A 52 3.724 -17.387 -2.930 1.00 1.47 H new ATOM 0 HG23 ILE A 52 5.080 -16.769 -1.957 1.00 1.47 H new ATOM 0 HD11 ILE A 52 2.778 -14.926 1.402 1.00 1.01 H new ATOM 0 HD12 ILE A 52 1.574 -15.186 0.118 1.00 1.01 H new ATOM 0 HD13 ILE A 52 2.732 -16.474 0.525 1.00 1.01 H new ATOM 801 N ILE A 53 2.503 -12.652 -2.838 1.00 0.85 N ATOM 802 CA ILE A 53 1.578 -11.581 -3.177 1.00 0.97 C ATOM 803 C ILE A 53 2.255 -10.670 -4.198 1.00 0.97 C ATOM 804 O ILE A 53 1.735 -10.410 -5.281 1.00 1.27 O ATOM 805 CB ILE A 53 1.105 -10.848 -1.901 1.00 1.04 C ATOM 806 CG1 ILE A 53 0.221 -9.662 -2.300 1.00 1.38 C ATOM 807 CG2 ILE A 53 2.221 -10.340 -0.984 1.00 0.92 C ATOM 808 CD1 ILE A 53 -0.401 -8.960 -1.093 1.00 1.90 C ATOM 0 H ILE A 53 2.901 -12.567 -1.903 1.00 0.85 H new ATOM 0 HA ILE A 53 0.670 -11.974 -3.635 1.00 0.97 H new ATOM 0 HB ILE A 53 0.562 -11.597 -1.324 1.00 1.04 H new ATOM 0 HG12 ILE A 53 0.815 -8.945 -2.866 1.00 1.38 H new ATOM 0 HG13 ILE A 53 -0.572 -10.011 -2.961 1.00 1.38 H new ATOM 0 HG21 ILE A 53 1.783 -9.842 -0.119 1.00 0.92 H new ATOM 0 HG22 ILE A 53 2.828 -11.181 -0.649 1.00 0.92 H new ATOM 0 HG23 ILE A 53 2.848 -9.635 -1.530 1.00 0.92 H new ATOM 0 HD11 ILE A 53 -1.017 -8.128 -1.434 1.00 1.90 H new ATOM 0 HD12 ILE A 53 -1.020 -9.667 -0.540 1.00 1.90 H new ATOM 0 HD13 ILE A 53 0.390 -8.584 -0.443 1.00 1.90 H new ATOM 820 N GLY A 54 3.457 -10.220 -3.849 1.00 0.81 N ATOM 821 CA GLY A 54 4.274 -9.403 -4.720 1.00 0.79 C ATOM 822 C GLY A 54 3.849 -7.930 -4.692 1.00 0.76 C ATOM 823 O GLY A 54 2.731 -7.594 -4.302 1.00 0.82 O ATOM 0 H GLY A 54 3.888 -10.417 -2.946 1.00 0.81 H new ATOM 0 HA2 GLY A 54 5.318 -9.485 -4.419 1.00 0.79 H new ATOM 0 HA3 GLY A 54 4.206 -9.781 -5.740 1.00 0.79 H new ATOM 827 N PRO A 55 4.749 -7.034 -5.125 1.00 0.71 N ATOM 828 CA PRO A 55 4.463 -5.615 -5.292 1.00 0.69 C ATOM 829 C PRO A 55 3.285 -5.403 -6.253 1.00 0.58 C ATOM 830 O PRO A 55 2.463 -4.513 -6.046 1.00 0.57 O ATOM 831 CB PRO A 55 5.757 -5.000 -5.841 1.00 0.78 C ATOM 832 CG PRO A 55 6.521 -6.178 -6.446 1.00 0.70 C ATOM 833 CD PRO A 55 6.087 -7.363 -5.585 1.00 0.70 C ATOM 0 HA PRO A 55 4.169 -5.145 -4.353 1.00 0.69 H new ATOM 0 HB2 PRO A 55 5.546 -4.238 -6.591 1.00 0.78 H new ATOM 0 HB3 PRO A 55 6.333 -4.519 -5.051 1.00 0.78 H new ATOM 0 HG2 PRO A 55 6.263 -6.328 -7.494 1.00 0.70 H new ATOM 0 HG3 PRO A 55 7.599 -6.023 -6.402 1.00 0.70 H new ATOM 0 HD2 PRO A 55 6.088 -8.289 -6.161 1.00 0.70 H new ATOM 0 HD3 PRO A 55 6.767 -7.509 -4.745 1.00 0.70 H new ATOM 841 N ARG A 56 3.224 -6.198 -7.329 1.00 0.57 N ATOM 842 CA ARG A 56 2.272 -5.981 -8.404 1.00 0.62 C ATOM 843 C ARG A 56 0.823 -6.032 -7.914 1.00 0.57 C ATOM 844 O ARG A 56 0.061 -5.105 -8.186 1.00 0.58 O ATOM 845 CB ARG A 56 2.516 -6.956 -9.566 1.00 0.71 C ATOM 846 CG ARG A 56 1.568 -6.579 -10.710 1.00 2.18 C ATOM 847 CD ARG A 56 1.825 -7.305 -12.028 1.00 2.61 C ATOM 848 NE ARG A 56 0.866 -6.794 -13.020 1.00 4.19 N ATOM 849 CZ ARG A 56 0.996 -6.773 -14.350 1.00 5.22 C ATOM 850 NH1 ARG A 56 1.974 -7.458 -14.951 1.00 5.21 N ATOM 851 NH2 ARG A 56 0.124 -6.042 -15.049 1.00 6.77 N ATOM 0 H ARG A 56 3.834 -7.003 -7.470 1.00 0.57 H new ATOM 0 HA ARG A 56 2.436 -4.971 -8.780 1.00 0.62 H new ATOM 0 HB2 ARG A 56 3.553 -6.902 -9.897 1.00 0.71 H new ATOM 0 HB3 ARG A 56 2.337 -7.982 -9.246 1.00 0.71 H new ATOM 0 HG2 ARG A 56 0.544 -6.781 -10.395 1.00 2.18 H new ATOM 0 HG3 ARG A 56 1.642 -5.505 -10.884 1.00 2.18 H new ATOM 0 HD2 ARG A 56 2.848 -7.136 -12.364 1.00 2.61 H new ATOM 0 HD3 ARG A 56 1.705 -8.381 -11.901 1.00 2.61 H new ATOM 0 HE ARG A 56 -0.002 -6.410 -12.648 1.00 4.19 H new ATOM 0 HH11 ARG A 56 2.631 -8.004 -14.394 1.00 5.21 H new ATOM 0 HH12 ARG A 56 2.063 -7.434 -15.967 1.00 5.21 H new ATOM 0 HH21 ARG A 56 -0.610 -5.524 -14.566 1.00 6.77 H new ATOM 0 HH22 ARG A 56 0.192 -6.002 -16.066 1.00 6.77 H new ATOM 865 N ASP A 57 0.434 -7.117 -7.234 1.00 0.55 N ATOM 866 CA ASP A 57 -0.934 -7.305 -6.755 1.00 0.53 C ATOM 867 C ASP A 57 -1.370 -6.085 -5.947 1.00 0.48 C ATOM 868 O ASP A 57 -2.433 -5.502 -6.170 1.00 0.52 O ATOM 869 CB ASP A 57 -1.012 -8.577 -5.902 1.00 0.58 C ATOM 870 CG ASP A 57 -2.405 -8.777 -5.317 1.00 1.60 C ATOM 871 OD1 ASP A 57 -3.376 -8.491 -6.045 1.00 2.53 O ATOM 872 OD2 ASP A 57 -2.483 -9.204 -4.145 1.00 2.55 O ATOM 0 H ASP A 57 1.061 -7.887 -7.002 1.00 0.55 H new ATOM 0 HA ASP A 57 -1.607 -7.415 -7.605 1.00 0.53 H new ATOM 0 HB2 ASP A 57 -0.745 -9.441 -6.511 1.00 0.58 H new ATOM 0 HB3 ASP A 57 -0.283 -8.519 -5.094 1.00 0.58 H new ATOM 877 N ILE A 58 -0.480 -5.662 -5.046 1.00 0.44 N ATOM 878 CA ILE A 58 -0.632 -4.437 -4.287 1.00 0.43 C ATOM 879 C ILE A 58 -0.882 -3.264 -5.232 1.00 0.45 C ATOM 880 O ILE A 58 -1.984 -2.725 -5.202 1.00 0.51 O ATOM 881 CB ILE A 58 0.534 -4.266 -3.294 1.00 0.55 C ATOM 882 CG1 ILE A 58 0.478 -5.430 -2.284 1.00 0.61 C ATOM 883 CG2 ILE A 58 0.474 -2.907 -2.582 1.00 0.61 C ATOM 884 CD1 ILE A 58 1.601 -5.395 -1.249 1.00 1.00 C ATOM 0 H ILE A 58 0.375 -6.174 -4.827 1.00 0.44 H new ATOM 0 HA ILE A 58 -1.518 -4.480 -3.654 1.00 0.43 H new ATOM 0 HB ILE A 58 1.481 -4.288 -3.834 1.00 0.55 H new ATOM 0 HG12 ILE A 58 -0.482 -5.406 -1.768 1.00 0.61 H new ATOM 0 HG13 ILE A 58 0.525 -6.374 -2.827 1.00 0.61 H new ATOM 0 HG21 ILE A 58 1.312 -2.822 -1.890 1.00 0.61 H new ATOM 0 HG22 ILE A 58 0.530 -2.107 -3.320 1.00 0.61 H new ATOM 0 HG23 ILE A 58 -0.463 -2.826 -2.030 1.00 0.61 H new ATOM 0 HD11 ILE A 58 1.498 -6.243 -0.572 1.00 1.00 H new ATOM 0 HD12 ILE A 58 2.565 -5.450 -1.756 1.00 1.00 H new ATOM 0 HD13 ILE A 58 1.543 -4.467 -0.680 1.00 1.00 H new ATOM 896 N ILE A 59 0.063 -2.849 -6.082 1.00 0.53 N ATOM 897 CA ILE A 59 -0.200 -1.642 -6.873 1.00 0.70 C ATOM 898 C ILE A 59 -1.405 -1.753 -7.815 1.00 0.66 C ATOM 899 O ILE A 59 -2.072 -0.748 -8.051 1.00 0.81 O ATOM 900 CB ILE A 59 1.044 -0.985 -7.495 1.00 1.05 C ATOM 901 CG1 ILE A 59 1.960 -1.885 -8.329 1.00 2.04 C ATOM 902 CG2 ILE A 59 1.866 -0.343 -6.375 1.00 2.35 C ATOM 903 CD1 ILE A 59 1.389 -2.214 -9.709 1.00 3.82 C ATOM 0 H ILE A 59 0.965 -3.299 -6.236 1.00 0.53 H new ATOM 0 HA ILE A 59 -0.515 -0.913 -6.126 1.00 0.70 H new ATOM 0 HB ILE A 59 0.649 -0.264 -8.211 1.00 1.05 H new ATOM 0 HG12 ILE A 59 2.926 -1.396 -8.450 1.00 2.04 H new ATOM 0 HG13 ILE A 59 2.138 -2.813 -7.786 1.00 2.04 H new ATOM 0 HG21 ILE A 59 2.753 0.128 -6.799 1.00 2.35 H new ATOM 0 HG22 ILE A 59 1.263 0.410 -5.867 1.00 2.35 H new ATOM 0 HG23 ILE A 59 2.168 -1.109 -5.661 1.00 2.35 H new ATOM 0 HD11 ILE A 59 2.087 -2.855 -10.248 1.00 3.82 H new ATOM 0 HD12 ILE A 59 0.436 -2.731 -9.595 1.00 3.82 H new ATOM 0 HD13 ILE A 59 1.236 -1.291 -10.269 1.00 3.82 H new ATOM 915 N HIS A 60 -1.736 -2.953 -8.298 1.00 0.61 N ATOM 916 CA HIS A 60 -2.948 -3.176 -9.084 1.00 0.73 C ATOM 917 C HIS A 60 -4.168 -2.860 -8.223 1.00 0.60 C ATOM 918 O HIS A 60 -5.051 -2.097 -8.613 1.00 0.55 O ATOM 919 CB HIS A 60 -3.025 -4.627 -9.586 1.00 1.00 C ATOM 920 CG HIS A 60 -2.607 -4.812 -11.023 1.00 1.49 C ATOM 921 ND1 HIS A 60 -3.443 -5.169 -12.057 1.00 2.97 N ATOM 922 CD2 HIS A 60 -1.336 -4.750 -11.524 1.00 1.42 C ATOM 923 CE1 HIS A 60 -2.684 -5.335 -13.153 1.00 3.23 C ATOM 924 NE2 HIS A 60 -1.383 -5.111 -12.880 1.00 2.27 N ATOM 0 H HIS A 60 -1.174 -3.792 -8.155 1.00 0.61 H new ATOM 0 HA HIS A 60 -2.925 -2.520 -9.954 1.00 0.73 H new ATOM 0 HB2 HIS A 60 -2.394 -5.251 -8.954 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -4.048 -4.985 -9.469 1.00 1.00 H new ATOM 0 HD1 HIS A 60 -4.455 -5.286 -12.001 1.00 2.97 H new ATOM 0 HD2 HIS A 60 -0.450 -4.472 -10.972 1.00 1.42 H new ATOM 0 HE1 HIS A 60 -3.066 -5.611 -14.125 1.00 3.23 H new ATOM 932 N THR A 61 -4.220 -3.457 -7.034 1.00 0.59 N ATOM 933 CA THR A 61 -5.302 -3.204 -6.104 1.00 0.55 C ATOM 934 C THR A 61 -5.373 -1.713 -5.797 1.00 0.47 C ATOM 935 O THR A 61 -6.427 -1.109 -5.932 1.00 0.49 O ATOM 936 CB THR A 61 -5.113 -4.050 -4.844 1.00 0.54 C ATOM 937 OG1 THR A 61 -5.059 -5.400 -5.241 1.00 0.63 O ATOM 938 CG2 THR A 61 -6.289 -3.867 -3.878 1.00 0.61 C ATOM 0 H THR A 61 -3.521 -4.119 -6.698 1.00 0.59 H new ATOM 0 HA THR A 61 -6.255 -3.494 -6.547 1.00 0.55 H new ATOM 0 HB THR A 61 -4.200 -3.743 -4.334 1.00 0.54 H new ATOM 0 HG1 THR A 61 -4.156 -5.612 -5.559 1.00 0.63 H new ATOM 0 HG21 THR A 61 -6.130 -4.479 -2.991 1.00 0.61 H new ATOM 0 HG22 THR A 61 -6.361 -2.819 -3.587 1.00 0.61 H new ATOM 0 HG23 THR A 61 -7.213 -4.172 -4.368 1.00 0.61 H new ATOM 946 N ILE A 62 -4.254 -1.113 -5.396 1.00 0.43 N ATOM 947 CA ILE A 62 -4.168 0.279 -4.981 1.00 0.41 C ATOM 948 C ILE A 62 -4.685 1.195 -6.094 1.00 0.50 C ATOM 949 O ILE A 62 -5.535 2.046 -5.836 1.00 0.59 O ATOM 950 CB ILE A 62 -2.717 0.584 -4.582 1.00 0.64 C ATOM 951 CG1 ILE A 62 -2.243 -0.313 -3.418 1.00 0.78 C ATOM 952 CG2 ILE A 62 -2.510 2.071 -4.262 1.00 0.86 C ATOM 953 CD1 ILE A 62 -2.596 0.248 -2.053 1.00 1.40 C ATOM 0 H ILE A 62 -3.358 -1.599 -5.351 1.00 0.43 H new ATOM 0 HA ILE A 62 -4.801 0.463 -4.113 1.00 0.41 H new ATOM 0 HB ILE A 62 -2.097 0.351 -5.448 1.00 0.64 H new ATOM 0 HG12 ILE A 62 -2.689 -1.302 -3.524 1.00 0.78 H new ATOM 0 HG13 ILE A 62 -1.163 -0.442 -3.483 1.00 0.78 H new ATOM 0 HG21 ILE A 62 -1.470 2.242 -3.985 1.00 0.86 H new ATOM 0 HG22 ILE A 62 -2.755 2.670 -5.139 1.00 0.86 H new ATOM 0 HG23 ILE A 62 -3.158 2.359 -3.434 1.00 0.86 H new ATOM 0 HD11 ILE A 62 -2.236 -0.428 -1.278 1.00 1.40 H new ATOM 0 HD12 ILE A 62 -2.128 1.225 -1.929 1.00 1.40 H new ATOM 0 HD13 ILE A 62 -3.678 0.351 -1.971 1.00 1.40 H new ATOM 965 N GLU A 63 -4.202 0.999 -7.327 1.00 0.56 N ATOM 966 CA GLU A 63 -4.719 1.638 -8.519 1.00 0.70 C ATOM 967 C GLU A 63 -6.242 1.507 -8.554 1.00 0.72 C ATOM 968 O GLU A 63 -6.967 2.496 -8.438 1.00 0.84 O ATOM 969 CB GLU A 63 -4.013 0.981 -9.710 1.00 0.80 C ATOM 970 CG GLU A 63 -4.440 1.512 -11.074 1.00 1.09 C ATOM 971 CD GLU A 63 -5.684 0.811 -11.608 1.00 2.59 C ATOM 972 OE1 GLU A 63 -5.585 -0.414 -11.840 1.00 3.15 O ATOM 973 OE2 GLU A 63 -6.712 1.505 -11.753 1.00 3.91 O ATOM 0 H GLU A 63 -3.420 0.373 -7.516 1.00 0.56 H new ATOM 0 HA GLU A 63 -4.519 2.709 -8.545 1.00 0.70 H new ATOM 0 HB2 GLU A 63 -2.938 1.122 -9.601 1.00 0.80 H new ATOM 0 HB3 GLU A 63 -4.199 -0.093 -9.678 1.00 0.80 H new ATOM 0 HG2 GLU A 63 -4.633 2.582 -11.000 1.00 1.09 H new ATOM 0 HG3 GLU A 63 -3.622 1.384 -11.783 1.00 1.09 H new ATOM 980 N SER A 64 -6.716 0.262 -8.626 1.00 0.68 N ATOM 981 CA SER A 64 -8.131 -0.040 -8.802 1.00 0.74 C ATOM 982 C SER A 64 -8.984 0.467 -7.632 1.00 0.77 C ATOM 983 O SER A 64 -10.190 0.653 -7.784 1.00 1.05 O ATOM 984 CB SER A 64 -8.313 -1.545 -9.011 1.00 0.76 C ATOM 985 OG SER A 64 -9.671 -1.857 -9.277 1.00 1.18 O ATOM 0 H SER A 64 -6.124 -0.566 -8.563 1.00 0.68 H new ATOM 0 HA SER A 64 -8.482 0.489 -9.688 1.00 0.74 H new ATOM 0 HB2 SER A 64 -7.689 -1.879 -9.840 1.00 0.76 H new ATOM 0 HB3 SER A 64 -7.979 -2.083 -8.124 1.00 0.76 H new ATOM 0 HG SER A 64 -9.765 -2.824 -9.409 1.00 1.18 H new ATOM 991 N LEU A 65 -8.377 0.641 -6.458 1.00 0.62 N ATOM 992 CA LEU A 65 -9.004 1.114 -5.235 1.00 0.73 C ATOM 993 C LEU A 65 -9.090 2.648 -5.219 1.00 0.82 C ATOM 994 O LEU A 65 -9.724 3.212 -4.321 1.00 1.09 O ATOM 995 CB LEU A 65 -8.204 0.532 -4.059 1.00 0.95 C ATOM 996 CG LEU A 65 -8.874 0.567 -2.684 1.00 1.16 C ATOM 997 CD1 LEU A 65 -10.070 -0.390 -2.601 1.00 2.32 C ATOM 998 CD2 LEU A 65 -7.828 0.136 -1.652 1.00 2.20 C ATOM 0 H LEU A 65 -7.384 0.444 -6.334 1.00 0.62 H new ATOM 0 HA LEU A 65 -10.037 0.775 -5.159 1.00 0.73 H new ATOM 0 HB2 LEU A 65 -7.962 -0.505 -4.293 1.00 0.95 H new ATOM 0 HB3 LEU A 65 -7.260 1.072 -3.990 1.00 0.95 H new ATOM 0 HG LEU A 65 -9.245 1.575 -2.499 1.00 1.16 H new ATOM 0 HD11 LEU A 65 -10.514 -0.332 -1.607 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -10.813 -0.110 -3.348 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -9.734 -1.410 -2.789 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -8.272 0.149 -0.657 1.00 2.20 H new ATOM 0 HD22 LEU A 65 -7.484 -0.872 -1.882 1.00 2.20 H new ATOM 0 HD23 LEU A 65 -6.983 0.824 -1.681 1.00 2.20 H new ATOM 1010 N GLY A 66 -8.511 3.318 -6.222 1.00 0.81 N ATOM 1011 CA GLY A 66 -8.703 4.731 -6.504 1.00 0.92 C ATOM 1012 C GLY A 66 -7.544 5.575 -5.984 1.00 0.77 C ATOM 1013 O GLY A 66 -7.780 6.595 -5.337 1.00 0.94 O ATOM 0 H GLY A 66 -7.874 2.868 -6.879 1.00 0.81 H new ATOM 0 HA2 GLY A 66 -8.805 4.876 -7.579 1.00 0.92 H new ATOM 0 HA3 GLY A 66 -9.633 5.070 -6.047 1.00 0.92 H new ATOM 1017 N PHE A 67 -6.306 5.164 -6.279 1.00 0.61 N ATOM 1018 CA PHE A 67 -5.096 5.850 -5.837 1.00 0.61 C ATOM 1019 C PHE A 67 -4.045 5.821 -6.949 1.00 0.64 C ATOM 1020 O PHE A 67 -4.159 5.003 -7.856 1.00 0.80 O ATOM 1021 CB PHE A 67 -4.578 5.170 -4.562 1.00 0.76 C ATOM 1022 CG PHE A 67 -5.562 5.200 -3.407 1.00 0.73 C ATOM 1023 CD1 PHE A 67 -5.939 6.439 -2.864 1.00 1.38 C ATOM 1024 CD2 PHE A 67 -6.225 4.029 -2.994 1.00 2.03 C ATOM 1025 CE1 PHE A 67 -7.013 6.522 -1.966 1.00 1.42 C ATOM 1026 CE2 PHE A 67 -7.250 4.104 -2.034 1.00 2.01 C ATOM 1027 CZ PHE A 67 -7.648 5.352 -1.523 1.00 0.73 C ATOM 0 H PHE A 67 -6.118 4.333 -6.840 1.00 0.61 H new ATOM 0 HA PHE A 67 -5.315 6.894 -5.614 1.00 0.61 H new ATOM 0 HB2 PHE A 67 -4.331 4.133 -4.790 1.00 0.76 H new ATOM 0 HB3 PHE A 67 -3.654 5.657 -4.252 1.00 0.76 H new ATOM 0 HD1 PHE A 67 -5.399 7.333 -3.139 1.00 1.38 H new ATOM 0 HD2 PHE A 67 -5.947 3.074 -3.414 1.00 2.03 H new ATOM 0 HE1 PHE A 67 -7.351 7.486 -1.616 1.00 1.42 H new ATOM 0 HE2 PHE A 67 -7.732 3.201 -1.689 1.00 2.01 H new ATOM 0 HZ PHE A 67 -8.440 5.410 -0.791 1.00 0.73 H new ATOM 1037 N GLU A 68 -3.023 6.686 -6.877 1.00 0.66 N ATOM 1038 CA GLU A 68 -1.909 6.702 -7.829 1.00 0.71 C ATOM 1039 C GLU A 68 -0.637 6.207 -7.138 1.00 0.69 C ATOM 1040 O GLU A 68 0.034 7.025 -6.511 1.00 0.83 O ATOM 1041 CB GLU A 68 -1.656 8.112 -8.433 1.00 0.82 C ATOM 1042 CG GLU A 68 -2.858 9.028 -8.733 1.00 2.23 C ATOM 1043 CD GLU A 68 -2.447 10.510 -8.834 1.00 3.09 C ATOM 1044 OE1 GLU A 68 -1.364 10.823 -9.393 1.00 3.16 O ATOM 1045 OE2 GLU A 68 -3.190 11.328 -8.253 1.00 4.41 O ATOM 0 H GLU A 68 -2.948 7.398 -6.151 1.00 0.66 H new ATOM 0 HA GLU A 68 -2.179 6.041 -8.652 1.00 0.71 H new ATOM 0 HB2 GLU A 68 -0.997 8.648 -7.750 1.00 0.82 H new ATOM 0 HB3 GLU A 68 -1.107 7.976 -9.365 1.00 0.82 H new ATOM 0 HG2 GLU A 68 -3.325 8.717 -9.667 1.00 2.23 H new ATOM 0 HG3 GLU A 68 -3.606 8.912 -7.949 1.00 2.23 H new ATOM 1052 N PRO A 69 -0.293 4.908 -7.201 1.00 0.65 N ATOM 1053 CA PRO A 69 0.897 4.406 -6.544 1.00 0.71 C ATOM 1054 C PRO A 69 2.159 4.573 -7.393 1.00 0.82 C ATOM 1055 O PRO A 69 2.167 4.240 -8.576 1.00 1.49 O ATOM 1056 CB PRO A 69 0.618 2.932 -6.284 1.00 0.67 C ATOM 1057 CG PRO A 69 -0.314 2.520 -7.421 1.00 0.61 C ATOM 1058 CD PRO A 69 -1.095 3.805 -7.722 1.00 0.65 C ATOM 0 HA PRO A 69 1.093 4.966 -5.629 1.00 0.71 H new ATOM 0 HB2 PRO A 69 1.537 2.346 -6.290 1.00 0.67 H new ATOM 0 HB3 PRO A 69 0.150 2.781 -5.311 1.00 0.67 H new ATOM 0 HG2 PRO A 69 0.243 2.175 -8.292 1.00 0.61 H new ATOM 0 HG3 PRO A 69 -0.977 1.707 -7.123 1.00 0.61 H new ATOM 0 HD2 PRO A 69 -1.260 3.917 -8.794 1.00 0.65 H new ATOM 0 HD3 PRO A 69 -2.077 3.782 -7.249 1.00 0.65 H new ATOM 1066 N SER A 70 3.245 5.008 -6.748 1.00 0.60 N ATOM 1067 CA SER A 70 4.592 5.069 -7.288 1.00 0.72 C ATOM 1068 C SER A 70 5.546 4.536 -6.221 1.00 0.67 C ATOM 1069 O SER A 70 5.654 5.109 -5.135 1.00 0.90 O ATOM 1070 CB SER A 70 4.958 6.514 -7.623 1.00 0.92 C ATOM 1071 OG SER A 70 4.026 7.073 -8.529 1.00 1.92 O ATOM 0 H SER A 70 3.198 5.343 -5.786 1.00 0.60 H new ATOM 0 HA SER A 70 4.660 4.475 -8.199 1.00 0.72 H new ATOM 0 HB2 SER A 70 4.985 7.108 -6.709 1.00 0.92 H new ATOM 0 HB3 SER A 70 5.958 6.549 -8.055 1.00 0.92 H new ATOM 0 HG SER A 70 4.278 7.999 -8.728 1.00 1.92 H new ATOM 1077 N LEU A 71 6.238 3.437 -6.520 1.00 0.87 N ATOM 1078 CA LEU A 71 7.252 2.887 -5.632 1.00 0.94 C ATOM 1079 C LEU A 71 8.341 3.926 -5.354 1.00 1.06 C ATOM 1080 O LEU A 71 8.795 4.594 -6.281 1.00 1.51 O ATOM 1081 CB LEU A 71 7.814 1.558 -6.166 1.00 1.31 C ATOM 1082 CG LEU A 71 8.789 1.638 -7.356 1.00 1.84 C ATOM 1083 CD1 LEU A 71 9.308 0.227 -7.656 1.00 2.85 C ATOM 1084 CD2 LEU A 71 8.150 2.211 -8.628 1.00 3.18 C ATOM 0 H LEU A 71 6.109 2.907 -7.382 1.00 0.87 H new ATOM 0 HA LEU A 71 6.784 2.649 -4.677 1.00 0.94 H new ATOM 0 HB2 LEU A 71 8.322 1.051 -5.346 1.00 1.31 H new ATOM 0 HB3 LEU A 71 6.974 0.928 -6.458 1.00 1.31 H new ATOM 0 HG LEU A 71 9.593 2.316 -7.071 1.00 1.84 H new ATOM 0 HD11 LEU A 71 10.000 0.265 -8.497 1.00 2.85 H new ATOM 0 HD12 LEU A 71 9.823 -0.165 -6.779 1.00 2.85 H new ATOM 0 HD13 LEU A 71 8.470 -0.424 -7.906 1.00 2.85 H new ATOM 0 HD21 LEU A 71 8.891 2.239 -9.427 1.00 3.18 H new ATOM 0 HD22 LEU A 71 7.314 1.580 -8.931 1.00 3.18 H new ATOM 0 HD23 LEU A 71 7.790 3.221 -8.431 1.00 3.18 H new