USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 873 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 106 THR OG1 : rot 66:sc= 0.814 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.361 K(o=0.45,f=-3.4!) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -2.08 K(o=-1.5,f=-2.9!) USER MOD Set 2.2: A 69 SER OG : rot -122:sc= 0.625 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.222 K(o=-0.15,f=-7.4!) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.0721 USER MOD Set 4.1: A 11 CYS SG : rot 102:sc= 0.559 USER MOD Set 4.2: A 92 SER OG : rot -100:sc= 1.15 USER MOD Single : A 12 SER OG : rot -40:sc= 0.398 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.891) USER MOD Single : A 18 HIS : no HE2:sc= 0.0214 K(o=0.021,f=-1.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.181 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0964 USER MOD Single : A 26 SER OG : rot 150:sc= 0.095 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.76! USER MOD Single : A 48 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.17) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.0856) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 79:sc= -0.423! USER MOD Single : A 63 GLN : amide:sc= -0.958 K(o=-0.96,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.512 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 71 LYS NZ :NH3+ 163:sc= -0.0872 (180deg=-0.391) USER MOD Single : A 80 SER OG : rot 11:sc= 1.22 USER MOD Single : A 83 GLN : amide:sc= -1.04 K(o=-1,f=-0.067) USER MOD Single : A 84 MET CE :methyl 176:sc= -0.786 (180deg=-0.881) USER MOD Single : A 85 GLN : amide:sc= -0.728 K(o=-0.73,f=-1.4) USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= 2.21 (180deg=2.15) USER MOD Single : A 97 THR OG1 : rot -75:sc= 1.21 USER MOD Single : A 100 MET CE :methyl 171:sc= -1.57 (180deg=-1.68) USER MOD Single : A 101 SER OG : rot 166:sc= -1.51! USER MOD Single : A 108 SER OG : rot -70:sc= 0.59 USER MOD Single : A 116 THR OG1 : rot -170:sc= -0.625 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 6.385 18.761 2.306 1.00 10.52 N ATOM 72 CA PRO A 6 5.118 19.237 2.878 1.00 31.24 C ATOM 73 C PRO A 6 4.708 18.447 4.116 1.00 12.11 C ATOM 74 O PRO A 6 4.939 17.245 4.201 1.00 23.33 O ATOM 75 CB PRO A 6 4.107 19.014 1.747 1.00 45.52 C ATOM 76 CG PRO A 6 4.927 18.968 0.506 1.00 24.21 C ATOM 77 CD PRO A 6 6.234 18.350 0.903 1.00 14.22 C ATOM 0 HA PRO A 6 5.187 20.273 3.209 1.00 31.24 H new ATOM 0 HB2 PRO A 6 3.553 18.086 1.889 1.00 45.52 H new ATOM 0 HB3 PRO A 6 3.374 19.820 1.707 1.00 45.52 H new ATOM 0 HG2 PRO A 6 4.434 18.378 -0.267 1.00 24.21 H new ATOM 0 HG3 PRO A 6 5.075 19.968 0.098 1.00 24.21 H new ATOM 0 HD2 PRO A 6 6.214 17.265 0.801 1.00 14.22 H new ATOM 0 HD3 PRO A 6 7.056 18.713 0.286 1.00 14.22 H new ATOM 85 N ALA A 7 4.095 19.129 5.065 1.00 25.12 N ATOM 86 CA ALA A 7 3.656 18.499 6.295 1.00 30.21 C ATOM 87 C ALA A 7 2.440 17.623 6.044 1.00 11.13 C ATOM 88 O ALA A 7 2.150 16.707 6.816 1.00 42.15 O ATOM 89 CB ALA A 7 3.339 19.553 7.343 1.00 44.22 C ATOM 0 H ALA A 7 3.889 20.126 5.006 1.00 25.12 H new ATOM 0 HA ALA A 7 4.464 17.868 6.666 1.00 30.21 H new ATOM 0 HB1 ALA A 7 3.011 19.066 8.261 1.00 44.22 H new ATOM 0 HB2 ALA A 7 4.232 20.145 7.545 1.00 44.22 H new ATOM 0 HB3 ALA A 7 2.547 20.205 6.975 1.00 44.22 H new ATOM 95 N ARG A 8 1.726 17.918 4.966 1.00 31.51 N ATOM 96 CA ARG A 8 0.538 17.171 4.589 1.00 62.04 C ATOM 97 C ARG A 8 0.599 16.764 3.121 1.00 44.53 C ATOM 98 O ARG A 8 0.731 17.617 2.238 1.00 64.14 O ATOM 99 CB ARG A 8 -0.718 18.009 4.847 1.00 54.11 C ATOM 100 CG ARG A 8 -0.912 18.388 6.305 1.00 13.04 C ATOM 101 CD ARG A 8 -2.085 19.332 6.485 1.00 13.10 C ATOM 102 NE ARG A 8 -2.276 19.693 7.887 1.00 40.22 N ATOM 103 CZ ARG A 8 -3.073 20.669 8.315 1.00 44.23 C ATOM 104 NH1 ARG A 8 -3.750 21.413 7.443 1.00 20.14 N ATOM 105 NH2 ARG A 8 -3.188 20.909 9.619 1.00 2.32 N ATOM 0 H ARG A 8 1.955 18.682 4.330 1.00 31.51 H new ATOM 0 HA ARG A 8 0.495 16.268 5.198 1.00 62.04 H new ATOM 0 HB2 ARG A 8 -0.666 18.918 4.248 1.00 54.11 H new ATOM 0 HB3 ARG A 8 -1.591 17.453 4.506 1.00 54.11 H new ATOM 0 HG2 ARG A 8 -1.075 17.487 6.897 1.00 13.04 H new ATOM 0 HG3 ARG A 8 -0.004 18.858 6.683 1.00 13.04 H new ATOM 0 HD2 ARG A 8 -1.920 20.234 5.896 1.00 13.10 H new ATOM 0 HD3 ARG A 8 -2.992 18.863 6.103 1.00 13.10 H new ATOM 0 HE ARG A 8 -1.762 19.159 8.588 1.00 40.22 H new ATOM 0 HH11 ARG A 8 -3.659 21.236 6.443 1.00 20.14 H new ATOM 0 HH12 ARG A 8 -4.360 22.160 7.775 1.00 20.14 H new ATOM 0 HH21 ARG A 8 -2.665 20.345 10.289 1.00 2.32 H new ATOM 0 HH22 ARG A 8 -3.799 21.657 9.948 1.00 2.32 H new ATOM 119 N VAL A 9 0.514 15.469 2.869 1.00 11.33 N ATOM 120 CA VAL A 9 0.536 14.930 1.508 1.00 73.23 C ATOM 121 C VAL A 9 -0.525 13.853 1.360 1.00 32.21 C ATOM 122 O VAL A 9 -1.108 13.415 2.354 1.00 23.21 O ATOM 123 CB VAL A 9 1.921 14.329 1.136 1.00 71.30 C ATOM 124 CG1 VAL A 9 2.982 15.417 1.043 1.00 22.21 C ATOM 125 CG2 VAL A 9 2.337 13.261 2.141 1.00 51.31 C ATOM 0 H VAL A 9 0.428 14.758 3.596 1.00 11.33 H new ATOM 0 HA VAL A 9 0.334 15.760 0.831 1.00 73.23 H new ATOM 0 HB VAL A 9 1.829 13.860 0.156 1.00 71.30 H new ATOM 0 HG11 VAL A 9 3.941 14.969 0.782 1.00 22.21 H new ATOM 0 HG12 VAL A 9 2.697 16.138 0.277 1.00 22.21 H new ATOM 0 HG13 VAL A 9 3.069 15.924 2.004 1.00 22.21 H new ATOM 0 HG21 VAL A 9 3.309 12.855 1.860 1.00 51.31 H new ATOM 0 HG22 VAL A 9 2.402 13.703 3.135 1.00 51.31 H new ATOM 0 HG23 VAL A 9 1.598 12.460 2.148 1.00 51.31 H new ATOM 135 N ARG A 10 -0.779 13.423 0.134 1.00 54.22 N ATOM 136 CA ARG A 10 -1.781 12.397 -0.107 1.00 34.12 C ATOM 137 C ARG A 10 -1.167 11.163 -0.740 1.00 15.40 C ATOM 138 O ARG A 10 -0.596 11.228 -1.834 1.00 22.34 O ATOM 139 CB ARG A 10 -2.899 12.917 -0.999 1.00 41.34 C ATOM 140 CG ARG A 10 -3.951 11.869 -1.323 1.00 14.43 C ATOM 141 CD ARG A 10 -4.981 12.391 -2.300 1.00 32.25 C ATOM 142 NE ARG A 10 -5.911 11.342 -2.723 1.00 25.45 N ATOM 143 CZ ARG A 10 -6.500 11.283 -3.927 1.00 41.54 C ATOM 144 NH1 ARG A 10 -6.304 12.241 -4.822 1.00 23.33 N ATOM 145 NH2 ARG A 10 -7.308 10.275 -4.214 1.00 15.43 N ATOM 0 H ARG A 10 -0.309 13.766 -0.704 1.00 54.22 H new ATOM 0 HA ARG A 10 -2.197 12.126 0.863 1.00 34.12 H new ATOM 0 HB2 ARG A 10 -3.380 13.764 -0.510 1.00 41.34 H new ATOM 0 HB3 ARG A 10 -2.469 13.288 -1.929 1.00 41.34 H new ATOM 0 HG2 ARG A 10 -3.468 10.986 -1.741 1.00 14.43 H new ATOM 0 HG3 ARG A 10 -4.447 11.556 -0.404 1.00 14.43 H new ATOM 0 HD2 ARG A 10 -5.538 13.207 -1.839 1.00 32.25 H new ATOM 0 HD3 ARG A 10 -4.477 12.803 -3.174 1.00 32.25 H new ATOM 0 HE ARG A 10 -6.127 10.603 -2.054 1.00 25.45 H new ATOM 0 HH11 ARG A 10 -5.701 13.032 -4.598 1.00 23.33 H new ATOM 0 HH12 ARG A 10 -6.756 12.187 -5.735 1.00 23.33 H new ATOM 0 HH21 ARG A 10 -7.481 9.547 -3.521 1.00 15.43 H new ATOM 0 HH22 ARG A 10 -7.758 10.226 -5.128 1.00 15.43 H new ATOM 159 N CYS A 11 -1.299 10.045 -0.062 1.00 43.24 N ATOM 160 CA CYS A 11 -0.801 8.788 -0.563 1.00 35.10 C ATOM 161 C CYS A 11 -1.817 7.688 -0.319 1.00 73.53 C ATOM 162 O CYS A 11 -2.479 7.651 0.724 1.00 42.24 O ATOM 163 CB CYS A 11 0.531 8.417 0.098 1.00 53.30 C ATOM 164 SG CYS A 11 1.831 9.663 -0.064 1.00 23.54 S ATOM 0 H CYS A 11 -1.753 9.984 0.849 1.00 43.24 H new ATOM 0 HA CYS A 11 -0.635 8.897 -1.635 1.00 35.10 H new ATOM 0 HB2 CYS A 11 0.355 8.231 1.158 1.00 53.30 H new ATOM 0 HB3 CYS A 11 0.887 7.482 -0.335 1.00 53.30 H new ATOM 0 HG CYS A 11 1.932 10.332 1.046 1.00 23.54 H new ATOM 170 N SER A 12 -1.953 6.815 -1.281 1.00 61.13 N ATOM 171 CA SER A 12 -2.826 5.683 -1.163 1.00 61.24 C ATOM 172 C SER A 12 -1.996 4.475 -0.724 1.00 32.13 C ATOM 173 O SER A 12 -0.778 4.447 -0.942 1.00 34.11 O ATOM 174 CB SER A 12 -3.519 5.432 -2.501 1.00 30.20 C ATOM 175 OG SER A 12 -4.141 6.625 -2.974 1.00 32.21 O ATOM 0 H SER A 12 -1.458 6.871 -2.171 1.00 61.13 H new ATOM 0 HA SER A 12 -3.600 5.866 -0.418 1.00 61.24 H new ATOM 0 HB2 SER A 12 -2.792 5.079 -3.233 1.00 30.20 H new ATOM 0 HB3 SER A 12 -4.266 4.646 -2.389 1.00 30.20 H new ATOM 0 HG SER A 12 -4.554 7.099 -2.222 1.00 32.21 H new ATOM 181 N HIS A 13 -2.630 3.491 -0.108 1.00 33.34 N ATOM 182 CA HIS A 13 -1.889 2.356 0.432 1.00 35.44 C ATOM 183 C HIS A 13 -2.593 1.026 0.186 1.00 21.41 C ATOM 184 O HIS A 13 -3.814 0.920 0.301 1.00 52.50 O ATOM 185 CB HIS A 13 -1.616 2.550 1.943 1.00 2.12 C ATOM 186 CG HIS A 13 -2.848 2.559 2.821 1.00 44.31 C ATOM 187 ND1 HIS A 13 -2.867 2.041 4.094 1.00 53.24 N ATOM 188 CD2 HIS A 13 -4.096 3.039 2.604 1.00 72.44 C ATOM 189 CE1 HIS A 13 -4.063 2.198 4.619 1.00 22.54 C ATOM 190 NE2 HIS A 13 -4.828 2.802 3.735 1.00 21.21 N ATOM 0 H HIS A 13 -3.640 3.451 0.031 1.00 33.34 H new ATOM 0 HA HIS A 13 -0.939 2.319 -0.101 1.00 35.44 H new ATOM 0 HB2 HIS A 13 -0.953 1.754 2.282 1.00 2.12 H new ATOM 0 HB3 HIS A 13 -1.082 3.490 2.082 1.00 2.12 H new ATOM 0 HD1 HIS A 13 -2.074 1.601 4.561 1.00 53.24 H new ATOM 0 HD2 HIS A 13 -4.448 3.520 1.704 1.00 72.44 H new ATOM 0 HE1 HIS A 13 -4.365 1.885 5.607 1.00 22.54 H new ATOM 199 N LEU A 14 -1.807 0.024 -0.151 1.00 62.31 N ATOM 200 CA LEU A 14 -2.305 -1.324 -0.372 1.00 75.15 C ATOM 201 C LEU A 14 -1.649 -2.246 0.656 1.00 30.42 C ATOM 202 O LEU A 14 -0.439 -2.153 0.889 1.00 13.21 O ATOM 203 CB LEU A 14 -1.970 -1.770 -1.810 1.00 5.13 C ATOM 204 CG LEU A 14 -2.821 -2.906 -2.408 1.00 42.51 C ATOM 205 CD1 LEU A 14 -2.633 -2.965 -3.914 1.00 65.42 C ATOM 206 CD2 LEU A 14 -2.458 -4.247 -1.792 1.00 12.04 C ATOM 0 H LEU A 14 -0.800 0.119 -0.281 1.00 62.31 H new ATOM 0 HA LEU A 14 -3.388 -1.362 -0.254 1.00 75.15 H new ATOM 0 HB2 LEU A 14 -2.058 -0.902 -2.463 1.00 5.13 H new ATOM 0 HB3 LEU A 14 -0.926 -2.081 -1.833 1.00 5.13 H new ATOM 0 HG LEU A 14 -3.866 -2.696 -2.182 1.00 42.51 H new ATOM 0 HD11 LEU A 14 -3.240 -3.772 -4.325 1.00 65.42 H new ATOM 0 HD12 LEU A 14 -2.941 -2.018 -4.357 1.00 65.42 H new ATOM 0 HD13 LEU A 14 -1.583 -3.148 -4.143 1.00 65.42 H new ATOM 0 HD21 LEU A 14 -3.075 -5.029 -2.234 1.00 12.04 H new ATOM 0 HD22 LEU A 14 -1.407 -4.463 -1.983 1.00 12.04 H new ATOM 0 HD23 LEU A 14 -2.631 -4.212 -0.716 1.00 12.04 H new ATOM 218 N LEU A 15 -2.443 -3.107 1.287 1.00 52.54 N ATOM 219 CA LEU A 15 -1.929 -3.996 2.324 1.00 4.50 C ATOM 220 C LEU A 15 -2.012 -5.452 1.906 1.00 12.34 C ATOM 221 O LEU A 15 -3.053 -5.916 1.433 1.00 13.43 O ATOM 222 CB LEU A 15 -2.692 -3.802 3.651 1.00 3.22 C ATOM 223 CG LEU A 15 -2.460 -2.476 4.398 1.00 4.15 C ATOM 224 CD1 LEU A 15 -0.980 -2.207 4.572 1.00 54.12 C ATOM 225 CD2 LEU A 15 -3.142 -1.314 3.693 1.00 53.23 C ATOM 0 H LEU A 15 -3.441 -3.208 1.099 1.00 52.54 H new ATOM 0 HA LEU A 15 -0.881 -3.735 2.471 1.00 4.50 H new ATOM 0 HB2 LEU A 15 -3.759 -3.894 3.446 1.00 3.22 H new ATOM 0 HB3 LEU A 15 -2.424 -4.620 4.320 1.00 3.22 H new ATOM 0 HG LEU A 15 -2.908 -2.571 5.387 1.00 4.15 H new ATOM 0 HD11 LEU A 15 -0.841 -1.265 5.102 1.00 54.12 H new ATOM 0 HD12 LEU A 15 -0.528 -3.016 5.146 1.00 54.12 H new ATOM 0 HD13 LEU A 15 -0.504 -2.146 3.593 1.00 54.12 H new ATOM 0 HD21 LEU A 15 -2.958 -0.394 4.247 1.00 53.23 H new ATOM 0 HD22 LEU A 15 -2.743 -1.216 2.684 1.00 53.23 H new ATOM 0 HD23 LEU A 15 -4.215 -1.498 3.642 1.00 53.23 H new ATOM 237 N VAL A 16 -0.909 -6.164 2.072 1.00 44.42 N ATOM 238 CA VAL A 16 -0.854 -7.586 1.765 1.00 51.01 C ATOM 239 C VAL A 16 -0.199 -8.355 2.910 1.00 53.30 C ATOM 240 O VAL A 16 1.018 -8.299 3.087 1.00 1.25 O ATOM 241 CB VAL A 16 -0.056 -7.872 0.464 1.00 53.32 C ATOM 242 CG1 VAL A 16 -0.086 -9.357 0.126 1.00 33.21 C ATOM 243 CG2 VAL A 16 -0.588 -7.055 -0.695 1.00 4.31 C ATOM 0 H VAL A 16 -0.032 -5.777 2.421 1.00 44.42 H new ATOM 0 HA VAL A 16 -1.884 -7.915 1.625 1.00 51.01 H new ATOM 0 HB VAL A 16 0.979 -7.578 0.639 1.00 53.32 H new ATOM 0 HG11 VAL A 16 0.479 -9.533 -0.789 1.00 33.21 H new ATOM 0 HG12 VAL A 16 0.359 -9.925 0.943 1.00 33.21 H new ATOM 0 HG13 VAL A 16 -1.118 -9.677 -0.018 1.00 33.21 H new ATOM 0 HG21 VAL A 16 -0.010 -7.276 -1.592 1.00 4.31 H new ATOM 0 HG22 VAL A 16 -1.635 -7.306 -0.867 1.00 4.31 H new ATOM 0 HG23 VAL A 16 -0.503 -5.994 -0.461 1.00 4.31 H new ATOM 253 N LYS A 17 -1.006 -9.032 3.706 1.00 32.34 N ATOM 254 CA LYS A 17 -0.481 -9.863 4.787 1.00 50.34 C ATOM 255 C LYS A 17 0.168 -11.118 4.217 1.00 31.44 C ATOM 256 O LYS A 17 -0.078 -11.490 3.075 1.00 44.24 O ATOM 257 CB LYS A 17 -1.598 -10.276 5.756 1.00 0.45 C ATOM 258 CG LYS A 17 -2.307 -9.121 6.439 1.00 43.13 C ATOM 259 CD LYS A 17 -1.376 -8.335 7.342 1.00 3.10 C ATOM 260 CE LYS A 17 -2.101 -7.165 7.989 1.00 64.14 C ATOM 261 NZ LYS A 17 -2.589 -6.185 6.982 1.00 3.02 N ATOM 0 H LYS A 17 -2.023 -9.027 3.630 1.00 32.34 H new ATOM 0 HA LYS A 17 0.260 -9.275 5.329 1.00 50.34 H new ATOM 0 HB2 LYS A 17 -2.335 -10.864 5.209 1.00 0.45 H new ATOM 0 HB3 LYS A 17 -1.174 -10.927 6.521 1.00 0.45 H new ATOM 0 HG2 LYS A 17 -2.726 -8.456 5.684 1.00 43.13 H new ATOM 0 HG3 LYS A 17 -3.142 -9.504 7.025 1.00 43.13 H new ATOM 0 HD2 LYS A 17 -0.974 -8.990 8.115 1.00 3.10 H new ATOM 0 HD3 LYS A 17 -0.528 -7.967 6.764 1.00 3.10 H new ATOM 0 HE2 LYS A 17 -2.944 -7.538 8.570 1.00 64.14 H new ATOM 0 HE3 LYS A 17 -1.430 -6.664 8.687 1.00 64.14 H new ATOM 0 HZ1 LYS A 17 -2.684 -5.249 7.426 1.00 3.02 H new ATOM 0 HZ2 LYS A 17 -1.911 -6.128 6.196 1.00 3.02 H new ATOM 0 HZ3 LYS A 17 -3.514 -6.491 6.619 1.00 3.02 H new ATOM 275 N HIS A 18 0.999 -11.756 5.009 1.00 50.45 N ATOM 276 CA HIS A 18 1.621 -13.009 4.610 1.00 23.05 C ATOM 277 C HIS A 18 1.475 -14.041 5.712 1.00 21.01 C ATOM 278 O HIS A 18 1.310 -13.674 6.869 1.00 14.23 O ATOM 279 CB HIS A 18 3.100 -12.832 4.191 1.00 54.44 C ATOM 280 CG HIS A 18 3.923 -11.936 5.075 1.00 20.25 C ATOM 281 ND1 HIS A 18 4.161 -12.183 6.409 1.00 41.44 N ATOM 282 CD2 HIS A 18 4.585 -10.789 4.788 1.00 74.02 C ATOM 283 CE1 HIS A 18 4.932 -11.231 6.897 1.00 53.23 C ATOM 284 NE2 HIS A 18 5.204 -10.375 5.936 1.00 20.13 N ATOM 0 H HIS A 18 1.264 -11.430 5.939 1.00 50.45 H new ATOM 0 HA HIS A 18 1.097 -13.367 3.724 1.00 23.05 H new ATOM 0 HB2 HIS A 18 3.571 -13.815 4.161 1.00 54.44 H new ATOM 0 HB3 HIS A 18 3.126 -12.435 3.176 1.00 54.44 H new ATOM 0 HD1 HIS A 18 3.798 -12.977 6.936 1.00 41.44 H new ATOM 0 HD2 HIS A 18 4.618 -10.293 3.829 1.00 74.02 H new ATOM 0 HE1 HIS A 18 5.282 -11.165 7.917 1.00 53.23 H new ATOM 293 N SER A 19 1.527 -15.327 5.328 1.00 2.01 N ATOM 294 CA SER A 19 1.342 -16.474 6.246 1.00 21.44 C ATOM 295 C SER A 19 1.939 -16.216 7.632 1.00 3.21 C ATOM 296 O SER A 19 1.242 -16.333 8.644 1.00 31.41 O ATOM 297 CB SER A 19 1.942 -17.747 5.631 1.00 34.04 C ATOM 298 OG SER A 19 1.724 -18.875 6.459 1.00 43.20 O ATOM 0 H SER A 19 1.700 -15.607 4.363 1.00 2.01 H new ATOM 0 HA SER A 19 0.269 -16.609 6.382 1.00 21.44 H new ATOM 0 HB2 SER A 19 1.499 -17.923 4.651 1.00 34.04 H new ATOM 0 HB3 SER A 19 3.012 -17.609 5.477 1.00 34.04 H new ATOM 0 HG SER A 19 2.116 -19.669 6.040 1.00 43.20 H new ATOM 304 N GLN A 20 3.217 -15.875 7.676 1.00 23.33 N ATOM 305 CA GLN A 20 3.868 -15.544 8.933 1.00 15.01 C ATOM 306 C GLN A 20 3.414 -14.159 9.369 1.00 23.41 C ATOM 307 O GLN A 20 4.036 -13.157 9.022 1.00 61.52 O ATOM 308 CB GLN A 20 5.401 -15.569 8.791 1.00 54.10 C ATOM 309 CG GLN A 20 5.939 -16.702 7.925 1.00 43.03 C ATOM 310 CD GLN A 20 6.007 -16.325 6.452 1.00 44.35 C ATOM 311 OE1 GLN A 20 5.044 -16.495 5.703 1.00 4.22 O ATOM 312 NE2 GLN A 20 7.145 -15.815 6.033 1.00 5.35 N ATOM 0 H GLN A 20 3.823 -15.820 6.857 1.00 23.33 H new ATOM 0 HA GLN A 20 3.590 -16.287 9.680 1.00 15.01 H new ATOM 0 HB2 GLN A 20 5.729 -14.619 8.369 1.00 54.10 H new ATOM 0 HB3 GLN A 20 5.844 -15.646 9.784 1.00 54.10 H new ATOM 0 HG2 GLN A 20 6.934 -16.980 8.272 1.00 43.03 H new ATOM 0 HG3 GLN A 20 5.303 -17.579 8.044 1.00 43.03 H new ATOM 0 HE21 GLN A 20 7.919 -15.690 6.686 1.00 5.35 H new ATOM 0 HE22 GLN A 20 7.253 -15.544 5.056 1.00 5.35 H new ATOM 321 N SER A 21 2.316 -14.099 10.088 1.00 61.22 N ATOM 322 CA SER A 21 1.749 -12.832 10.485 1.00 20.11 C ATOM 323 C SER A 21 1.391 -12.828 11.959 1.00 42.35 C ATOM 324 O SER A 21 1.096 -13.874 12.540 1.00 72.43 O ATOM 325 CB SER A 21 0.500 -12.538 9.641 1.00 1.41 C ATOM 326 OG SER A 21 -0.057 -11.275 9.960 1.00 32.40 O ATOM 0 H SER A 21 1.797 -14.916 10.410 1.00 61.22 H new ATOM 0 HA SER A 21 2.495 -12.055 10.318 1.00 20.11 H new ATOM 0 HB2 SER A 21 0.760 -12.565 8.583 1.00 1.41 H new ATOM 0 HB3 SER A 21 -0.244 -13.317 9.807 1.00 1.41 H new ATOM 0 HG SER A 21 -0.849 -11.117 9.405 1.00 32.40 H new ATOM 332 N ARG A 22 1.423 -11.646 12.559 1.00 65.45 N ATOM 333 CA ARG A 22 1.046 -11.480 13.951 1.00 31.44 C ATOM 334 C ARG A 22 -0.466 -11.601 14.088 1.00 12.11 C ATOM 335 O ARG A 22 -0.987 -11.903 15.159 1.00 1.00 O ATOM 336 CB ARG A 22 1.538 -10.127 14.481 1.00 32.42 C ATOM 337 CG ARG A 22 0.959 -8.923 13.749 1.00 31.21 C ATOM 338 CD ARG A 22 1.761 -7.665 14.035 1.00 15.14 C ATOM 339 NE ARG A 22 3.139 -7.785 13.550 1.00 1.15 N ATOM 340 CZ ARG A 22 4.027 -6.792 13.536 1.00 51.14 C ATOM 341 NH1 ARG A 22 3.693 -5.586 13.979 1.00 14.12 N ATOM 342 NH2 ARG A 22 5.256 -7.011 13.072 1.00 34.23 N ATOM 0 H ARG A 22 1.709 -10.783 12.097 1.00 65.45 H new ATOM 0 HA ARG A 22 1.515 -12.263 14.547 1.00 31.44 H new ATOM 0 HB2 ARG A 22 1.287 -10.050 15.539 1.00 32.42 H new ATOM 0 HB3 ARG A 22 2.625 -10.094 14.408 1.00 32.42 H new ATOM 0 HG2 ARG A 22 0.952 -9.116 12.676 1.00 31.21 H new ATOM 0 HG3 ARG A 22 -0.077 -8.773 14.053 1.00 31.21 H new ATOM 0 HD2 ARG A 22 1.280 -6.810 13.560 1.00 15.14 H new ATOM 0 HD3 ARG A 22 1.767 -7.472 15.108 1.00 15.14 H new ATOM 0 HE ARG A 22 3.440 -8.694 13.198 1.00 1.15 H new ATOM 0 HH11 ARG A 22 2.752 -5.415 14.333 1.00 14.12 H new ATOM 0 HH12 ARG A 22 4.378 -4.830 13.966 1.00 14.12 H new ATOM 0 HH21 ARG A 22 5.514 -7.936 12.729 1.00 34.23 H new ATOM 0 HH22 ARG A 22 5.939 -6.253 13.059 1.00 34.23 H new ATOM 356 N ARG A 23 -1.159 -11.365 12.983 1.00 63.21 N ATOM 357 CA ARG A 23 -2.599 -11.493 12.926 1.00 42.12 C ATOM 358 C ARG A 23 -3.027 -11.968 11.538 1.00 2.21 C ATOM 359 O ARG A 23 -3.246 -11.160 10.629 1.00 74.23 O ATOM 360 CB ARG A 23 -3.285 -10.160 13.261 1.00 31.32 C ATOM 361 CG ARG A 23 -4.805 -10.215 13.182 1.00 55.44 C ATOM 362 CD ARG A 23 -5.418 -8.834 13.311 1.00 4.42 C ATOM 363 NE ARG A 23 -6.866 -8.856 13.088 1.00 23.34 N ATOM 364 CZ ARG A 23 -7.553 -7.872 12.495 1.00 43.12 C ATOM 365 NH1 ARG A 23 -6.923 -6.786 12.055 1.00 23.14 N ATOM 366 NH2 ARG A 23 -8.865 -7.982 12.342 1.00 51.32 N ATOM 0 H ARG A 23 -0.733 -11.079 12.102 1.00 63.21 H new ATOM 0 HA ARG A 23 -2.906 -12.230 13.669 1.00 42.12 H new ATOM 0 HB2 ARG A 23 -2.993 -9.854 14.266 1.00 31.32 H new ATOM 0 HB3 ARG A 23 -2.922 -9.393 12.577 1.00 31.32 H new ATOM 0 HG2 ARG A 23 -5.105 -10.660 12.234 1.00 55.44 H new ATOM 0 HG3 ARG A 23 -5.188 -10.860 13.973 1.00 55.44 H new ATOM 0 HD2 ARG A 23 -5.210 -8.436 14.304 1.00 4.42 H new ATOM 0 HD3 ARG A 23 -4.950 -8.161 12.593 1.00 4.42 H new ATOM 0 HE ARG A 23 -7.385 -9.675 13.405 1.00 23.34 H new ATOM 0 HH11 ARG A 23 -5.913 -6.701 12.169 1.00 23.14 H new ATOM 0 HH12 ARG A 23 -7.450 -6.038 11.604 1.00 23.14 H new ATOM 0 HH21 ARG A 23 -9.349 -8.815 12.676 1.00 51.32 H new ATOM 0 HH22 ARG A 23 -9.390 -7.233 11.890 1.00 51.32 H new ATOM 380 N PRO A 24 -3.097 -13.290 11.333 1.00 51.22 N ATOM 381 CA PRO A 24 -3.540 -13.866 10.070 1.00 12.03 C ATOM 382 C PRO A 24 -5.051 -13.712 9.889 1.00 51.52 C ATOM 383 O PRO A 24 -5.827 -14.614 10.210 1.00 24.23 O ATOM 384 CB PRO A 24 -3.156 -15.356 10.181 1.00 13.24 C ATOM 385 CG PRO A 24 -2.310 -15.456 11.411 1.00 35.23 C ATOM 386 CD PRO A 24 -2.729 -14.325 12.298 1.00 3.23 C ATOM 0 HA PRO A 24 -3.084 -13.374 9.211 1.00 12.03 H new ATOM 0 HB2 PRO A 24 -4.042 -15.985 10.261 1.00 13.24 H new ATOM 0 HB3 PRO A 24 -2.608 -15.688 9.299 1.00 13.24 H new ATOM 0 HG2 PRO A 24 -2.457 -16.415 11.908 1.00 35.23 H new ATOM 0 HG3 PRO A 24 -1.251 -15.384 11.162 1.00 35.23 H new ATOM 0 HD2 PRO A 24 -3.567 -14.600 12.939 1.00 3.23 H new ATOM 0 HD3 PRO A 24 -1.920 -14.001 12.953 1.00 3.23 H new ATOM 394 N SER A 25 -5.466 -12.548 9.423 1.00 54.43 N ATOM 395 CA SER A 25 -6.874 -12.260 9.216 1.00 2.13 C ATOM 396 C SER A 25 -7.053 -11.257 8.078 1.00 2.44 C ATOM 397 O SER A 25 -6.159 -10.451 7.803 1.00 41.21 O ATOM 398 CB SER A 25 -7.489 -11.711 10.508 1.00 1.03 C ATOM 399 OG SER A 25 -7.247 -12.593 11.595 1.00 52.12 O ATOM 0 H SER A 25 -4.841 -11.780 9.179 1.00 54.43 H new ATOM 0 HA SER A 25 -7.385 -13.184 8.944 1.00 2.13 H new ATOM 0 HB2 SER A 25 -7.068 -10.730 10.729 1.00 1.03 H new ATOM 0 HB3 SER A 25 -8.562 -11.575 10.376 1.00 1.03 H new ATOM 0 HG SER A 25 -7.646 -12.224 12.411 1.00 52.12 H new ATOM 405 N SER A 26 -8.191 -11.325 7.416 1.00 25.31 N ATOM 406 CA SER A 26 -8.507 -10.431 6.314 1.00 2.20 C ATOM 407 C SER A 26 -10.010 -10.152 6.265 1.00 13.32 C ATOM 408 O SER A 26 -10.805 -10.862 6.899 1.00 70.30 O ATOM 409 CB SER A 26 -8.039 -11.055 4.987 1.00 0.53 C ATOM 410 OG SER A 26 -8.593 -10.379 3.864 1.00 22.13 O ATOM 0 H SER A 26 -8.925 -12.002 7.625 1.00 25.31 H new ATOM 0 HA SER A 26 -7.987 -9.486 6.468 1.00 2.20 H new ATOM 0 HB2 SER A 26 -6.951 -11.021 4.932 1.00 0.53 H new ATOM 0 HB3 SER A 26 -8.327 -12.106 4.958 1.00 0.53 H new ATOM 0 HG SER A 26 -7.971 -10.436 3.108 1.00 22.13 H new ATOM 415 N TRP A 27 -10.398 -9.120 5.521 1.00 61.51 N ATOM 416 CA TRP A 27 -11.802 -8.784 5.361 1.00 31.31 C ATOM 417 C TRP A 27 -12.423 -9.694 4.309 1.00 71.12 C ATOM 418 O TRP A 27 -13.625 -9.970 4.332 1.00 60.34 O ATOM 419 CB TRP A 27 -11.973 -7.303 4.947 1.00 22.01 C ATOM 420 CG TRP A 27 -11.593 -7.006 3.514 1.00 71.44 C ATOM 421 CD1 TRP A 27 -10.353 -6.703 3.038 1.00 65.01 C ATOM 422 CD2 TRP A 27 -12.470 -6.984 2.376 1.00 31.23 C ATOM 423 NE1 TRP A 27 -10.401 -6.499 1.684 1.00 52.22 N ATOM 424 CE2 TRP A 27 -11.687 -6.663 1.252 1.00 2.41 C ATOM 425 CE3 TRP A 27 -13.839 -7.205 2.201 1.00 20.44 C ATOM 426 CZ2 TRP A 27 -12.226 -6.558 -0.027 1.00 34.24 C ATOM 427 CZ3 TRP A 27 -14.373 -7.101 0.932 1.00 62.54 C ATOM 428 CH2 TRP A 27 -13.567 -6.782 -0.167 1.00 54.50 C ATOM 0 H TRP A 27 -9.757 -8.504 5.021 1.00 61.51 H new ATOM 0 HA TRP A 27 -12.307 -8.929 6.316 1.00 31.31 H new ATOM 0 HB2 TRP A 27 -13.012 -7.013 5.102 1.00 22.01 H new ATOM 0 HB3 TRP A 27 -11.367 -6.682 5.607 1.00 22.01 H new ATOM 0 HD1 TRP A 27 -9.460 -6.634 3.642 1.00 65.01 H new ATOM 0 HE1 TRP A 27 -9.604 -6.262 1.093 1.00 52.22 H new ATOM 0 HE3 TRP A 27 -14.468 -7.453 3.043 1.00 20.44 H new ATOM 0 HZ2 TRP A 27 -11.608 -6.309 -0.877 1.00 34.24 H new ATOM 0 HZ3 TRP A 27 -15.430 -7.269 0.785 1.00 62.54 H new ATOM 0 HH2 TRP A 27 -14.015 -6.711 -1.147 1.00 54.50 H new ATOM 439 N ARG A 28 -11.584 -10.169 3.401 1.00 1.14 N ATOM 440 CA ARG A 28 -12.027 -11.017 2.311 1.00 60.44 C ATOM 441 C ARG A 28 -11.747 -12.481 2.605 1.00 54.21 C ATOM 442 O ARG A 28 -12.497 -13.361 2.184 1.00 4.11 O ATOM 443 CB ARG A 28 -11.350 -10.605 1.001 1.00 54.24 C ATOM 444 CG ARG A 28 -9.839 -10.476 1.109 1.00 43.23 C ATOM 445 CD ARG A 28 -9.185 -10.325 -0.243 1.00 31.44 C ATOM 446 NE ARG A 28 -9.250 -11.560 -1.031 1.00 73.22 N ATOM 447 CZ ARG A 28 -8.699 -11.708 -2.238 1.00 13.34 C ATOM 448 NH1 ARG A 28 -8.116 -10.678 -2.830 1.00 10.34 N ATOM 449 NH2 ARG A 28 -8.754 -12.879 -2.861 1.00 30.11 N ATOM 0 H ARG A 28 -10.582 -9.977 3.401 1.00 1.14 H new ATOM 0 HA ARG A 28 -13.105 -10.890 2.208 1.00 60.44 H new ATOM 0 HB2 ARG A 28 -11.589 -11.339 0.232 1.00 54.24 H new ATOM 0 HB3 ARG A 28 -11.765 -9.652 0.672 1.00 54.24 H new ATOM 0 HG2 ARG A 28 -9.592 -9.614 1.729 1.00 43.23 H new ATOM 0 HG3 ARG A 28 -9.435 -11.355 1.611 1.00 43.23 H new ATOM 0 HD2 ARG A 28 -9.672 -9.519 -0.792 1.00 31.44 H new ATOM 0 HD3 ARG A 28 -8.143 -10.035 -0.110 1.00 31.44 H new ATOM 0 HE ARG A 28 -9.747 -12.356 -0.632 1.00 73.22 H new ATOM 0 HH11 ARG A 28 -8.088 -9.771 -2.364 1.00 10.34 H new ATOM 0 HH12 ARG A 28 -7.695 -10.791 -3.752 1.00 10.34 H new ATOM 0 HH21 ARG A 28 -9.219 -13.671 -2.418 1.00 30.11 H new ATOM 0 HH22 ARG A 28 -8.331 -12.986 -3.783 1.00 30.11 H new ATOM 463 N GLN A 29 -10.665 -12.743 3.324 1.00 43.33 N ATOM 464 CA GLN A 29 -10.296 -14.107 3.665 1.00 12.31 C ATOM 465 C GLN A 29 -10.244 -14.292 5.172 1.00 31.22 C ATOM 466 O GLN A 29 -9.822 -13.399 5.901 1.00 13.20 O ATOM 467 CB GLN A 29 -8.945 -14.477 3.046 1.00 71.11 C ATOM 468 CG GLN A 29 -8.915 -14.390 1.531 1.00 0.41 C ATOM 469 CD GLN A 29 -7.634 -14.934 0.940 1.00 5.30 C ATOM 470 OE1 GLN A 29 -6.653 -14.212 0.775 1.00 54.44 O ATOM 471 NE2 GLN A 29 -7.641 -16.209 0.606 1.00 54.53 N ATOM 0 H GLN A 29 -10.029 -12.030 3.681 1.00 43.33 H new ATOM 0 HA GLN A 29 -11.060 -14.770 3.258 1.00 12.31 H new ATOM 0 HB2 GLN A 29 -8.178 -13.818 3.453 1.00 71.11 H new ATOM 0 HB3 GLN A 29 -8.685 -15.492 3.347 1.00 71.11 H new ATOM 0 HG2 GLN A 29 -9.762 -14.942 1.123 1.00 0.41 H new ATOM 0 HG3 GLN A 29 -9.037 -13.350 1.228 1.00 0.41 H new ATOM 0 HE21 GLN A 29 -8.477 -16.772 0.761 1.00 54.53 H new ATOM 0 HE22 GLN A 29 -6.810 -16.633 0.193 1.00 54.53 H new ATOM 480 N GLU A 30 -10.677 -15.446 5.635 1.00 14.35 N ATOM 481 CA GLU A 30 -10.660 -15.749 7.057 1.00 51.23 C ATOM 482 C GLU A 30 -9.329 -16.368 7.450 1.00 22.14 C ATOM 483 O GLU A 30 -9.089 -16.670 8.618 1.00 61.21 O ATOM 484 CB GLU A 30 -11.803 -16.688 7.423 1.00 4.41 C ATOM 485 CG GLU A 30 -13.178 -16.061 7.300 1.00 73.24 C ATOM 486 CD GLU A 30 -14.285 -17.028 7.642 1.00 61.13 C ATOM 487 OE1 GLU A 30 -14.455 -17.345 8.840 1.00 5.20 O ATOM 488 OE2 GLU A 30 -14.983 -17.488 6.715 1.00 65.11 O ATOM 0 H GLU A 30 -11.047 -16.194 5.048 1.00 14.35 H new ATOM 0 HA GLU A 30 -10.791 -14.816 7.605 1.00 51.23 H new ATOM 0 HB2 GLU A 30 -11.757 -17.568 6.781 1.00 4.41 H new ATOM 0 HB3 GLU A 30 -11.662 -17.033 8.447 1.00 4.41 H new ATOM 0 HG2 GLU A 30 -13.240 -15.195 7.959 1.00 73.24 H new ATOM 0 HG3 GLU A 30 -13.319 -15.697 6.282 1.00 73.24 H new ATOM 495 N LYS A 31 -8.472 -16.548 6.473 1.00 12.34 N ATOM 496 CA LYS A 31 -7.169 -17.123 6.695 1.00 33.22 C ATOM 497 C LYS A 31 -6.150 -16.465 5.789 1.00 43.00 C ATOM 498 O LYS A 31 -6.483 -16.019 4.690 1.00 33.20 O ATOM 499 CB LYS A 31 -7.200 -18.631 6.421 1.00 71.23 C ATOM 500 CG LYS A 31 -7.591 -18.980 4.992 1.00 12.44 C ATOM 501 CD LYS A 31 -7.480 -20.464 4.729 1.00 3.45 C ATOM 502 CE LYS A 31 -7.851 -20.800 3.295 1.00 41.22 C ATOM 503 NZ LYS A 31 -7.703 -22.248 3.015 1.00 35.04 N ATOM 0 H LYS A 31 -8.660 -16.299 5.502 1.00 12.34 H new ATOM 0 HA LYS A 31 -6.889 -16.955 7.735 1.00 33.22 H new ATOM 0 HB2 LYS A 31 -6.217 -19.051 6.633 1.00 71.23 H new ATOM 0 HB3 LYS A 31 -7.903 -19.103 7.107 1.00 71.23 H new ATOM 0 HG2 LYS A 31 -8.614 -18.653 4.804 1.00 12.44 H new ATOM 0 HG3 LYS A 31 -6.950 -18.438 4.297 1.00 12.44 H new ATOM 0 HD2 LYS A 31 -6.462 -20.796 4.931 1.00 3.45 H new ATOM 0 HD3 LYS A 31 -8.133 -21.006 5.412 1.00 3.45 H new ATOM 0 HE2 LYS A 31 -8.880 -20.496 3.105 1.00 41.22 H new ATOM 0 HE3 LYS A 31 -7.219 -20.231 2.613 1.00 41.22 H new ATOM 0 HZ1 LYS A 31 -7.965 -22.439 2.027 1.00 35.04 H new ATOM 0 HZ2 LYS A 31 -6.715 -22.533 3.172 1.00 35.04 H new ATOM 0 HZ3 LYS A 31 -8.325 -22.789 3.649 1.00 35.04 H new ATOM 517 N ILE A 32 -4.928 -16.380 6.250 1.00 0.12 N ATOM 518 CA ILE A 32 -3.860 -15.844 5.442 1.00 1.25 C ATOM 519 C ILE A 32 -2.900 -16.961 5.062 1.00 54.11 C ATOM 520 O ILE A 32 -1.952 -17.269 5.794 1.00 32.04 O ATOM 521 CB ILE A 32 -3.093 -14.698 6.154 1.00 12.34 C ATOM 522 CG1 ILE A 32 -4.047 -13.549 6.509 1.00 74.42 C ATOM 523 CG2 ILE A 32 -1.955 -14.187 5.280 1.00 20.33 C ATOM 524 CD1 ILE A 32 -4.716 -12.903 5.308 1.00 74.04 C ATOM 0 H ILE A 32 -4.646 -16.676 7.185 1.00 0.12 H new ATOM 0 HA ILE A 32 -4.309 -15.416 4.546 1.00 1.25 H new ATOM 0 HB ILE A 32 -2.669 -15.096 7.076 1.00 12.34 H new ATOM 0 HG12 ILE A 32 -4.818 -13.926 7.181 1.00 74.42 H new ATOM 0 HG13 ILE A 32 -3.492 -12.787 7.056 1.00 74.42 H new ATOM 0 HG21 ILE A 32 -1.431 -13.384 5.798 1.00 20.33 H new ATOM 0 HG22 ILE A 32 -1.260 -15.001 5.075 1.00 20.33 H new ATOM 0 HG23 ILE A 32 -2.359 -13.809 4.341 1.00 20.33 H new ATOM 0 HD11 ILE A 32 -5.373 -12.101 5.645 1.00 74.04 H new ATOM 0 HD12 ILE A 32 -3.955 -12.493 4.644 1.00 74.04 H new ATOM 0 HD13 ILE A 32 -5.301 -13.650 4.772 1.00 74.04 H new ATOM 536 N THR A 33 -3.179 -17.596 3.946 1.00 31.42 N ATOM 537 CA THR A 33 -2.359 -18.679 3.458 1.00 4.31 C ATOM 538 C THR A 33 -1.337 -18.181 2.450 1.00 44.12 C ATOM 539 O THR A 33 -0.400 -18.894 2.095 1.00 63.34 O ATOM 540 CB THR A 33 -3.222 -19.787 2.832 1.00 4.22 C ATOM 541 OG1 THR A 33 -4.356 -19.202 2.168 1.00 33.22 O ATOM 542 CG2 THR A 33 -3.703 -20.756 3.897 1.00 52.21 C ATOM 0 H THR A 33 -3.979 -17.376 3.353 1.00 31.42 H new ATOM 0 HA THR A 33 -1.826 -19.096 4.313 1.00 4.31 H new ATOM 0 HB THR A 33 -2.615 -20.333 2.110 1.00 4.22 H new ATOM 0 HG1 THR A 33 -4.903 -19.911 1.769 1.00 33.22 H new ATOM 0 HG21 THR A 33 -4.312 -21.533 3.434 1.00 52.21 H new ATOM 0 HG22 THR A 33 -2.844 -21.213 4.388 1.00 52.21 H new ATOM 0 HG23 THR A 33 -4.299 -20.219 4.635 1.00 52.21 H new ATOM 550 N ARG A 34 -1.526 -16.953 1.988 1.00 74.23 N ATOM 551 CA ARG A 34 -0.597 -16.338 1.060 1.00 42.34 C ATOM 552 C ARG A 34 0.759 -16.109 1.743 1.00 24.41 C ATOM 553 O ARG A 34 0.905 -15.229 2.588 1.00 52.25 O ATOM 554 CB ARG A 34 -1.170 -15.012 0.511 1.00 13.35 C ATOM 555 CG ARG A 34 -1.599 -14.023 1.591 1.00 22.43 C ATOM 556 CD ARG A 34 -2.017 -12.680 1.007 1.00 61.32 C ATOM 557 NE ARG A 34 -3.255 -12.759 0.229 1.00 64.31 N ATOM 558 CZ ARG A 34 -4.058 -11.713 -0.009 1.00 20.43 C ATOM 559 NH1 ARG A 34 -3.762 -10.512 0.490 1.00 23.52 N ATOM 560 NH2 ARG A 34 -5.153 -11.872 -0.735 1.00 71.44 N ATOM 0 H ARG A 34 -2.318 -16.364 2.244 1.00 74.23 H new ATOM 0 HA ARG A 34 -0.449 -17.012 0.216 1.00 42.34 H new ATOM 0 HB2 ARG A 34 -0.419 -14.539 -0.122 1.00 13.35 H new ATOM 0 HB3 ARG A 34 -2.028 -15.235 -0.124 1.00 13.35 H new ATOM 0 HG2 ARG A 34 -2.429 -14.445 2.159 1.00 22.43 H new ATOM 0 HG3 ARG A 34 -0.777 -13.873 2.291 1.00 22.43 H new ATOM 0 HD2 ARG A 34 -2.148 -11.962 1.817 1.00 61.32 H new ATOM 0 HD3 ARG A 34 -1.217 -12.301 0.371 1.00 61.32 H new ATOM 0 HE ARG A 34 -3.522 -13.665 -0.155 1.00 64.31 H new ATOM 0 HH11 ARG A 34 -2.922 -10.387 1.055 1.00 23.52 H new ATOM 0 HH12 ARG A 34 -4.376 -9.718 0.307 1.00 23.52 H new ATOM 0 HH21 ARG A 34 -5.385 -12.790 -1.113 1.00 71.44 H new ATOM 0 HH22 ARG A 34 -5.765 -11.076 -0.916 1.00 71.44 H new ATOM 574 N THR A 35 1.734 -16.930 1.405 1.00 71.03 N ATOM 575 CA THR A 35 3.052 -16.813 1.999 1.00 41.21 C ATOM 576 C THR A 35 3.858 -15.703 1.310 1.00 22.12 C ATOM 577 O THR A 35 3.349 -15.023 0.414 1.00 52.12 O ATOM 578 CB THR A 35 3.825 -18.163 1.945 1.00 72.11 C ATOM 579 OG1 THR A 35 5.062 -18.064 2.666 1.00 65.30 O ATOM 580 CG2 THR A 35 4.105 -18.583 0.508 1.00 64.30 C ATOM 0 H THR A 35 1.639 -17.684 0.724 1.00 71.03 H new ATOM 0 HA THR A 35 2.919 -16.549 3.048 1.00 41.21 H new ATOM 0 HB THR A 35 3.195 -18.921 2.411 1.00 72.11 H new ATOM 0 HG1 THR A 35 5.535 -18.921 2.624 1.00 65.30 H new ATOM 0 HG21 THR A 35 4.646 -19.529 0.504 1.00 64.30 H new ATOM 0 HG22 THR A 35 3.163 -18.702 -0.027 1.00 64.30 H new ATOM 0 HG23 THR A 35 4.707 -17.819 0.016 1.00 64.30 H new ATOM 588 N LYS A 36 5.107 -15.528 1.734 1.00 24.32 N ATOM 589 CA LYS A 36 5.984 -14.490 1.192 1.00 4.00 C ATOM 590 C LYS A 36 6.100 -14.606 -0.326 1.00 33.15 C ATOM 591 O LYS A 36 5.997 -13.614 -1.041 1.00 21.12 O ATOM 592 CB LYS A 36 7.374 -14.582 1.831 1.00 5.25 C ATOM 593 CG LYS A 36 8.357 -13.537 1.323 1.00 11.21 C ATOM 594 CD LYS A 36 9.746 -13.719 1.925 1.00 23.25 C ATOM 595 CE LYS A 36 9.740 -13.510 3.428 1.00 53.20 C ATOM 596 NZ LYS A 36 11.113 -13.475 3.984 1.00 30.11 N ATOM 0 H LYS A 36 5.540 -16.099 2.460 1.00 24.32 H new ATOM 0 HA LYS A 36 5.545 -13.521 1.429 1.00 4.00 H new ATOM 0 HB2 LYS A 36 7.274 -14.478 2.911 1.00 5.25 H new ATOM 0 HB3 LYS A 36 7.784 -15.574 1.643 1.00 5.25 H new ATOM 0 HG2 LYS A 36 8.422 -13.598 0.237 1.00 11.21 H new ATOM 0 HG3 LYS A 36 7.985 -12.541 1.565 1.00 11.21 H new ATOM 0 HD2 LYS A 36 10.112 -14.720 1.699 1.00 23.25 H new ATOM 0 HD3 LYS A 36 10.438 -13.015 1.463 1.00 23.25 H new ATOM 0 HE2 LYS A 36 9.229 -12.577 3.663 1.00 53.20 H new ATOM 0 HE3 LYS A 36 9.175 -14.311 3.904 1.00 53.20 H new ATOM 0 HZ1 LYS A 36 11.067 -13.331 5.013 1.00 30.11 H new ATOM 0 HZ2 LYS A 36 11.593 -14.375 3.782 1.00 30.11 H new ATOM 0 HZ3 LYS A 36 11.644 -12.694 3.548 1.00 30.11 H new ATOM 610 N GLU A 37 6.295 -15.825 -0.801 1.00 30.12 N ATOM 611 CA GLU A 37 6.435 -16.095 -2.228 1.00 21.34 C ATOM 612 C GLU A 37 5.196 -15.655 -2.998 1.00 12.31 C ATOM 613 O GLU A 37 5.298 -15.052 -4.068 1.00 60.34 O ATOM 614 CB GLU A 37 6.690 -17.579 -2.447 1.00 41.04 C ATOM 615 CG GLU A 37 7.934 -18.078 -1.743 1.00 74.40 C ATOM 616 CD GLU A 37 8.153 -19.558 -1.920 1.00 54.12 C ATOM 617 OE1 GLU A 37 8.556 -19.976 -3.027 1.00 64.43 O ATOM 618 OE2 GLU A 37 7.939 -20.313 -0.948 1.00 72.41 O ATOM 0 H GLU A 37 6.361 -16.655 -0.212 1.00 30.12 H new ATOM 0 HA GLU A 37 7.283 -15.522 -2.604 1.00 21.34 H new ATOM 0 HB2 GLU A 37 5.828 -18.146 -2.094 1.00 41.04 H new ATOM 0 HB3 GLU A 37 6.783 -17.772 -3.516 1.00 41.04 H new ATOM 0 HG2 GLU A 37 8.802 -17.539 -2.124 1.00 74.40 H new ATOM 0 HG3 GLU A 37 7.859 -17.851 -0.679 1.00 74.40 H new ATOM 625 N GLU A 38 4.035 -15.944 -2.438 1.00 51.32 N ATOM 626 CA GLU A 38 2.772 -15.584 -3.057 1.00 52.52 C ATOM 627 C GLU A 38 2.585 -14.077 -3.033 1.00 61.33 C ATOM 628 O GLU A 38 2.243 -13.468 -4.043 1.00 34.25 O ATOM 629 CB GLU A 38 1.618 -16.262 -2.325 1.00 50.42 C ATOM 630 CG GLU A 38 1.721 -17.775 -2.294 1.00 14.31 C ATOM 631 CD GLU A 38 1.720 -18.380 -3.675 1.00 64.32 C ATOM 632 OE1 GLU A 38 0.676 -18.325 -4.348 1.00 54.23 O ATOM 633 OE2 GLU A 38 2.766 -18.906 -4.097 1.00 4.14 O ATOM 0 H GLU A 38 3.941 -16.432 -1.547 1.00 51.32 H new ATOM 0 HA GLU A 38 2.783 -15.921 -4.094 1.00 52.52 H new ATOM 0 HB2 GLU A 38 1.579 -15.888 -1.302 1.00 50.42 H new ATOM 0 HB3 GLU A 38 0.680 -15.980 -2.804 1.00 50.42 H new ATOM 0 HG2 GLU A 38 2.635 -18.064 -1.775 1.00 14.31 H new ATOM 0 HG3 GLU A 38 0.887 -18.181 -1.722 1.00 14.31 H new ATOM 640 N ALA A 39 2.835 -13.484 -1.875 1.00 54.43 N ATOM 641 CA ALA A 39 2.693 -12.049 -1.694 1.00 25.43 C ATOM 642 C ALA A 39 3.636 -11.285 -2.616 1.00 22.41 C ATOM 643 O ALA A 39 3.252 -10.282 -3.211 1.00 11.25 O ATOM 644 CB ALA A 39 2.945 -11.676 -0.242 1.00 20.21 C ATOM 0 H ALA A 39 3.140 -13.982 -1.039 1.00 54.43 H new ATOM 0 HA ALA A 39 1.672 -11.770 -1.955 1.00 25.43 H new ATOM 0 HB1 ALA A 39 2.836 -10.598 -0.119 1.00 20.21 H new ATOM 0 HB2 ALA A 39 2.225 -12.189 0.396 1.00 20.21 H new ATOM 0 HB3 ALA A 39 3.955 -11.973 0.040 1.00 20.21 H new ATOM 650 N LEU A 40 4.861 -11.778 -2.741 1.00 41.21 N ATOM 651 CA LEU A 40 5.864 -11.150 -3.590 1.00 73.52 C ATOM 652 C LEU A 40 5.400 -11.131 -5.048 1.00 11.01 C ATOM 653 O LEU A 40 5.598 -10.144 -5.764 1.00 34.44 O ATOM 654 CB LEU A 40 7.200 -11.891 -3.462 1.00 2.15 C ATOM 655 CG LEU A 40 8.397 -11.245 -4.159 1.00 74.12 C ATOM 656 CD1 LEU A 40 8.698 -9.878 -3.559 1.00 31.35 C ATOM 657 CD2 LEU A 40 9.614 -12.149 -4.068 1.00 41.23 C ATOM 0 H LEU A 40 5.185 -12.617 -2.261 1.00 41.21 H new ATOM 0 HA LEU A 40 6.002 -10.119 -3.263 1.00 73.52 H new ATOM 0 HB2 LEU A 40 7.435 -11.994 -2.403 1.00 2.15 H new ATOM 0 HB3 LEU A 40 7.073 -12.898 -3.860 1.00 2.15 H new ATOM 0 HG LEU A 40 8.148 -11.106 -5.211 1.00 74.12 H new ATOM 0 HD11 LEU A 40 9.554 -9.437 -4.070 1.00 31.35 H new ATOM 0 HD12 LEU A 40 7.830 -9.229 -3.678 1.00 31.35 H new ATOM 0 HD13 LEU A 40 8.926 -9.988 -2.499 1.00 31.35 H new ATOM 0 HD21 LEU A 40 10.458 -11.675 -4.569 1.00 41.23 H new ATOM 0 HD22 LEU A 40 9.863 -12.320 -3.021 1.00 41.23 H new ATOM 0 HD23 LEU A 40 9.396 -13.103 -4.549 1.00 41.23 H new ATOM 669 N GLU A 41 4.774 -12.221 -5.474 1.00 41.41 N ATOM 670 CA GLU A 41 4.248 -12.319 -6.828 1.00 1.13 C ATOM 671 C GLU A 41 3.019 -11.433 -6.990 1.00 21.20 C ATOM 672 O GLU A 41 2.781 -10.876 -8.065 1.00 71.02 O ATOM 673 CB GLU A 41 3.922 -13.766 -7.181 1.00 52.24 C ATOM 674 CG GLU A 41 5.151 -14.643 -7.345 1.00 4.15 C ATOM 675 CD GLU A 41 6.064 -14.151 -8.446 1.00 11.14 C ATOM 676 OE1 GLU A 41 5.729 -14.347 -9.631 1.00 4.03 O ATOM 677 OE2 GLU A 41 7.122 -13.569 -8.136 1.00 1.31 O ATOM 0 H GLU A 41 4.619 -13.050 -4.900 1.00 41.41 H new ATOM 0 HA GLU A 41 5.016 -11.969 -7.518 1.00 1.13 H new ATOM 0 HB2 GLU A 41 3.287 -14.187 -6.402 1.00 52.24 H new ATOM 0 HB3 GLU A 41 3.346 -13.785 -8.106 1.00 52.24 H new ATOM 0 HG2 GLU A 41 5.702 -14.672 -6.405 1.00 4.15 H new ATOM 0 HG3 GLU A 41 4.839 -15.664 -7.564 1.00 4.15 H new ATOM 684 N LEU A 42 2.238 -11.304 -5.921 1.00 31.22 N ATOM 685 CA LEU A 42 1.083 -10.420 -5.927 1.00 2.12 C ATOM 686 C LEU A 42 1.543 -8.988 -6.122 1.00 35.44 C ATOM 687 O LEU A 42 0.985 -8.252 -6.937 1.00 43.45 O ATOM 688 CB LEU A 42 0.281 -10.546 -4.623 1.00 53.02 C ATOM 689 CG LEU A 42 -0.451 -11.875 -4.405 1.00 51.43 C ATOM 690 CD1 LEU A 42 -1.122 -11.897 -3.041 1.00 61.54 C ATOM 691 CD2 LEU A 42 -1.482 -12.106 -5.503 1.00 5.54 C ATOM 0 H LEU A 42 2.386 -11.801 -5.042 1.00 31.22 H new ATOM 0 HA LEU A 42 0.429 -10.709 -6.750 1.00 2.12 H new ATOM 0 HB2 LEU A 42 0.961 -10.388 -3.786 1.00 53.02 H new ATOM 0 HB3 LEU A 42 -0.454 -9.741 -4.593 1.00 53.02 H new ATOM 0 HG LEU A 42 0.284 -12.679 -4.444 1.00 51.43 H new ATOM 0 HD11 LEU A 42 -1.637 -12.848 -2.904 1.00 61.54 H new ATOM 0 HD12 LEU A 42 -0.368 -11.777 -2.263 1.00 61.54 H new ATOM 0 HD13 LEU A 42 -1.843 -11.082 -2.977 1.00 61.54 H new ATOM 0 HD21 LEU A 42 -1.991 -13.054 -5.331 1.00 5.54 H new ATOM 0 HD22 LEU A 42 -2.211 -11.296 -5.494 1.00 5.54 H new ATOM 0 HD23 LEU A 42 -0.982 -12.133 -6.471 1.00 5.54 H new ATOM 703 N ILE A 43 2.586 -8.602 -5.380 1.00 65.23 N ATOM 704 CA ILE A 43 3.172 -7.270 -5.500 1.00 5.51 C ATOM 705 C ILE A 43 3.613 -7.031 -6.939 1.00 42.20 C ATOM 706 O ILE A 43 3.348 -5.975 -7.514 1.00 2.31 O ATOM 707 CB ILE A 43 4.395 -7.089 -4.559 1.00 42.10 C ATOM 708 CG1 ILE A 43 4.004 -7.336 -3.094 1.00 21.25 C ATOM 709 CG2 ILE A 43 5.003 -5.698 -4.723 1.00 51.11 C ATOM 710 CD1 ILE A 43 2.922 -6.413 -2.575 1.00 52.52 C ATOM 0 H ILE A 43 3.041 -9.198 -4.688 1.00 65.23 H new ATOM 0 HA ILE A 43 2.409 -6.548 -5.210 1.00 5.51 H new ATOM 0 HB ILE A 43 5.145 -7.828 -4.840 1.00 42.10 H new ATOM 0 HG12 ILE A 43 3.667 -8.367 -2.989 1.00 21.25 H new ATOM 0 HG13 ILE A 43 4.891 -7.225 -2.470 1.00 21.25 H new ATOM 0 HG21 ILE A 43 5.858 -5.593 -4.055 1.00 51.11 H new ATOM 0 HG22 ILE A 43 5.330 -5.563 -5.754 1.00 51.11 H new ATOM 0 HG23 ILE A 43 4.256 -4.943 -4.477 1.00 51.11 H new ATOM 0 HD11 ILE A 43 2.706 -6.655 -1.534 1.00 52.52 H new ATOM 0 HD12 ILE A 43 3.261 -5.379 -2.645 1.00 52.52 H new ATOM 0 HD13 ILE A 43 2.019 -6.539 -3.172 1.00 52.52 H new ATOM 722 N ASN A 44 4.269 -8.037 -7.511 1.00 44.25 N ATOM 723 CA ASN A 44 4.732 -7.985 -8.896 1.00 54.34 C ATOM 724 C ASN A 44 3.557 -7.666 -9.818 1.00 2.10 C ATOM 725 O ASN A 44 3.642 -6.775 -10.672 1.00 43.30 O ATOM 726 CB ASN A 44 5.346 -9.337 -9.291 1.00 41.31 C ATOM 727 CG ASN A 44 6.139 -9.286 -10.588 1.00 42.04 C ATOM 728 OD1 ASN A 44 5.898 -8.446 -11.448 1.00 74.53 O ATOM 729 ND2 ASN A 44 7.080 -10.196 -10.735 1.00 55.03 N ATOM 0 H ASN A 44 4.494 -8.908 -7.030 1.00 44.25 H new ATOM 0 HA ASN A 44 5.489 -7.206 -8.992 1.00 54.34 H new ATOM 0 HB2 ASN A 44 5.999 -9.679 -8.488 1.00 41.31 H new ATOM 0 HB3 ASN A 44 4.549 -10.074 -9.390 1.00 41.31 H new ATOM 0 HD21 ASN A 44 7.639 -10.219 -11.588 1.00 55.03 H new ATOM 0 HD22 ASN A 44 7.250 -10.878 -9.996 1.00 55.03 H new ATOM 736 N GLY A 45 2.458 -8.388 -9.615 1.00 21.33 N ATOM 737 CA GLY A 45 1.264 -8.185 -10.408 1.00 21.05 C ATOM 738 C GLY A 45 0.741 -6.767 -10.310 1.00 45.12 C ATOM 739 O GLY A 45 0.437 -6.146 -11.329 1.00 64.03 O ATOM 0 H GLY A 45 2.376 -9.117 -8.906 1.00 21.33 H new ATOM 0 HA2 GLY A 45 1.479 -8.419 -11.451 1.00 21.05 H new ATOM 0 HA3 GLY A 45 0.490 -8.879 -10.079 1.00 21.05 H new ATOM 743 N TYR A 46 0.655 -6.243 -9.083 1.00 33.12 N ATOM 744 CA TYR A 46 0.171 -4.877 -8.869 1.00 61.00 C ATOM 745 C TYR A 46 1.048 -3.893 -9.619 1.00 24.02 C ATOM 746 O TYR A 46 0.552 -3.035 -10.348 1.00 13.41 O ATOM 747 CB TYR A 46 0.164 -4.505 -7.379 1.00 40.44 C ATOM 748 CG TYR A 46 -0.537 -5.496 -6.481 1.00 12.11 C ATOM 749 CD1 TYR A 46 -1.709 -6.133 -6.872 1.00 74.43 C ATOM 750 CD2 TYR A 46 -0.012 -5.801 -5.238 1.00 21.50 C ATOM 751 CE1 TYR A 46 -2.331 -7.044 -6.041 1.00 41.43 C ATOM 752 CE2 TYR A 46 -0.625 -6.708 -4.407 1.00 22.23 C ATOM 753 CZ TYR A 46 -1.781 -7.327 -4.809 1.00 52.21 C ATOM 754 OH TYR A 46 -2.390 -8.235 -3.974 1.00 10.33 O ATOM 0 H TYR A 46 0.912 -6.740 -8.230 1.00 33.12 H new ATOM 0 HA TYR A 46 -0.852 -4.830 -9.242 1.00 61.00 H new ATOM 0 HB2 TYR A 46 1.195 -4.396 -7.041 1.00 40.44 H new ATOM 0 HB3 TYR A 46 -0.313 -3.532 -7.264 1.00 40.44 H new ATOM 0 HD1 TYR A 46 -2.139 -5.913 -7.838 1.00 74.43 H new ATOM 0 HD2 TYR A 46 0.897 -5.317 -4.914 1.00 21.50 H new ATOM 0 HE1 TYR A 46 -3.242 -7.532 -6.354 1.00 41.43 H new ATOM 0 HE2 TYR A 46 -0.198 -6.933 -3.441 1.00 22.23 H new ATOM 0 HH TYR A 46 -1.871 -8.318 -3.147 1.00 10.33 H new ATOM 764 N ILE A 47 2.363 -4.038 -9.443 1.00 45.52 N ATOM 765 CA ILE A 47 3.332 -3.178 -10.106 1.00 14.43 C ATOM 766 C ILE A 47 3.124 -3.201 -11.615 1.00 4.50 C ATOM 767 O ILE A 47 3.042 -2.154 -12.252 1.00 43.15 O ATOM 768 CB ILE A 47 4.790 -3.602 -9.781 1.00 25.35 C ATOM 769 CG1 ILE A 47 5.059 -3.488 -8.274 1.00 11.40 C ATOM 770 CG2 ILE A 47 5.786 -2.757 -10.568 1.00 1.50 C ATOM 771 CD1 ILE A 47 6.444 -3.950 -7.863 1.00 35.04 C ATOM 0 H ILE A 47 2.778 -4.749 -8.842 1.00 45.52 H new ATOM 0 HA ILE A 47 3.175 -2.167 -9.731 1.00 14.43 H new ATOM 0 HB ILE A 47 4.918 -4.643 -10.077 1.00 25.35 H new ATOM 0 HG12 ILE A 47 4.927 -2.450 -7.968 1.00 11.40 H new ATOM 0 HG13 ILE A 47 4.315 -4.076 -7.736 1.00 11.40 H new ATOM 0 HG21 ILE A 47 6.801 -3.071 -10.325 1.00 1.50 H new ATOM 0 HG22 ILE A 47 5.611 -2.889 -11.636 1.00 1.50 H new ATOM 0 HG23 ILE A 47 5.659 -1.707 -10.306 1.00 1.50 H new ATOM 0 HD11 ILE A 47 6.559 -3.839 -6.785 1.00 35.04 H new ATOM 0 HD12 ILE A 47 6.574 -4.997 -8.136 1.00 35.04 H new ATOM 0 HD13 ILE A 47 7.195 -3.346 -8.372 1.00 35.04 H new ATOM 783 N GLN A 48 3.012 -4.399 -12.173 1.00 44.40 N ATOM 784 CA GLN A 48 2.802 -4.557 -13.606 1.00 72.34 C ATOM 785 C GLN A 48 1.523 -3.854 -14.060 1.00 53.33 C ATOM 786 O GLN A 48 1.528 -3.127 -15.049 1.00 63.24 O ATOM 787 CB GLN A 48 2.764 -6.037 -13.996 1.00 53.52 C ATOM 788 CG GLN A 48 4.094 -6.757 -13.821 1.00 21.22 C ATOM 789 CD GLN A 48 5.220 -6.088 -14.587 1.00 72.12 C ATOM 790 OE1 GLN A 48 5.450 -6.384 -15.759 1.00 13.55 O ATOM 791 NE2 GLN A 48 5.945 -5.201 -13.926 1.00 41.35 N ATOM 0 H GLN A 48 3.063 -5.276 -11.655 1.00 44.40 H new ATOM 0 HA GLN A 48 3.645 -4.089 -14.114 1.00 72.34 H new ATOM 0 HB2 GLN A 48 2.007 -6.541 -13.395 1.00 53.52 H new ATOM 0 HB3 GLN A 48 2.452 -6.120 -15.037 1.00 53.52 H new ATOM 0 HG2 GLN A 48 4.349 -6.791 -12.762 1.00 21.22 H new ATOM 0 HG3 GLN A 48 3.992 -7.789 -14.157 1.00 21.22 H new ATOM 0 HE21 GLN A 48 5.723 -4.982 -12.955 1.00 41.35 H new ATOM 0 HE22 GLN A 48 6.726 -4.735 -14.387 1.00 41.35 H new ATOM 800 N LYS A 49 0.441 -4.049 -13.313 1.00 34.02 N ATOM 801 CA LYS A 49 -0.839 -3.432 -13.643 1.00 10.40 C ATOM 802 C LYS A 49 -0.746 -1.910 -13.614 1.00 44.15 C ATOM 803 O LYS A 49 -1.169 -1.238 -14.552 1.00 2.12 O ATOM 804 CB LYS A 49 -1.929 -3.888 -12.674 1.00 41.35 C ATOM 805 CG LYS A 49 -2.264 -5.364 -12.753 1.00 73.14 C ATOM 806 CD LYS A 49 -3.347 -5.725 -11.752 1.00 33.42 C ATOM 807 CE LYS A 49 -3.750 -7.184 -11.855 1.00 51.52 C ATOM 808 NZ LYS A 49 -4.241 -7.531 -13.211 1.00 35.34 N ATOM 0 H LYS A 49 0.425 -4.630 -12.475 1.00 34.02 H new ATOM 0 HA LYS A 49 -1.098 -3.750 -14.653 1.00 10.40 H new ATOM 0 HB2 LYS A 49 -1.614 -3.654 -11.657 1.00 41.35 H new ATOM 0 HB3 LYS A 49 -2.834 -3.312 -12.868 1.00 41.35 H new ATOM 0 HG2 LYS A 49 -2.596 -5.613 -13.761 1.00 73.14 H new ATOM 0 HG3 LYS A 49 -1.370 -5.956 -12.557 1.00 73.14 H new ATOM 0 HD2 LYS A 49 -2.992 -5.517 -10.743 1.00 33.42 H new ATOM 0 HD3 LYS A 49 -4.220 -5.095 -11.919 1.00 33.42 H new ATOM 0 HE2 LYS A 49 -2.896 -7.814 -11.606 1.00 51.52 H new ATOM 0 HE3 LYS A 49 -4.528 -7.398 -11.122 1.00 51.52 H new ATOM 0 HZ1 LYS A 49 -4.837 -8.382 -13.157 1.00 35.34 H new ATOM 0 HZ2 LYS A 49 -4.800 -6.740 -13.591 1.00 35.34 H new ATOM 0 HZ3 LYS A 49 -3.431 -7.714 -13.837 1.00 35.34 H new ATOM 822 N ILE A 50 -0.183 -1.381 -12.542 1.00 62.31 N ATOM 823 CA ILE A 50 -0.087 0.060 -12.353 1.00 13.42 C ATOM 824 C ILE A 50 0.871 0.704 -13.357 1.00 33.24 C ATOM 825 O ILE A 50 0.526 1.686 -14.011 1.00 12.40 O ATOM 826 CB ILE A 50 0.362 0.408 -10.915 1.00 21.33 C ATOM 827 CG1 ILE A 50 -0.620 -0.187 -9.902 1.00 74.13 C ATOM 828 CG2 ILE A 50 0.470 1.921 -10.732 1.00 33.11 C ATOM 829 CD1 ILE A 50 -0.166 -0.067 -8.467 1.00 72.34 C ATOM 0 H ILE A 50 0.218 -1.931 -11.782 1.00 62.31 H new ATOM 0 HA ILE A 50 -1.086 0.463 -12.522 1.00 13.42 H new ATOM 0 HB ILE A 50 1.348 -0.023 -10.745 1.00 21.33 H new ATOM 0 HG12 ILE A 50 -1.584 0.310 -10.011 1.00 74.13 H new ATOM 0 HG13 ILE A 50 -0.776 -1.240 -10.137 1.00 74.13 H new ATOM 0 HG21 ILE A 50 0.787 2.143 -9.713 1.00 33.11 H new ATOM 0 HG22 ILE A 50 1.201 2.321 -11.435 1.00 33.11 H new ATOM 0 HG23 ILE A 50 -0.501 2.380 -10.918 1.00 33.11 H new ATOM 0 HD11 ILE A 50 -0.914 -0.511 -7.810 1.00 72.34 H new ATOM 0 HD12 ILE A 50 0.783 -0.588 -8.341 1.00 72.34 H new ATOM 0 HD13 ILE A 50 -0.038 0.985 -8.213 1.00 72.34 H new ATOM 841 N LYS A 51 2.061 0.140 -13.495 1.00 22.11 N ATOM 842 CA LYS A 51 3.070 0.706 -14.388 1.00 12.40 C ATOM 843 C LYS A 51 2.642 0.634 -15.852 1.00 74.34 C ATOM 844 O LYS A 51 3.030 1.477 -16.659 1.00 40.42 O ATOM 845 CB LYS A 51 4.427 0.021 -14.191 1.00 14.33 C ATOM 846 CG LYS A 51 5.043 0.227 -12.806 1.00 12.12 C ATOM 847 CD LYS A 51 5.171 1.708 -12.451 1.00 65.45 C ATOM 848 CE LYS A 51 6.010 2.462 -13.473 1.00 10.41 C ATOM 849 NZ LYS A 51 6.063 3.916 -13.186 1.00 60.51 N ATOM 0 H LYS A 51 2.354 -0.705 -13.005 1.00 22.11 H new ATOM 0 HA LYS A 51 3.172 1.759 -14.126 1.00 12.40 H new ATOM 0 HB2 LYS A 51 4.310 -1.048 -14.368 1.00 14.33 H new ATOM 0 HB3 LYS A 51 5.122 0.394 -14.944 1.00 14.33 H new ATOM 0 HG2 LYS A 51 4.428 -0.273 -12.058 1.00 12.12 H new ATOM 0 HG3 LYS A 51 6.027 -0.240 -12.774 1.00 12.12 H new ATOM 0 HD2 LYS A 51 4.179 2.155 -12.394 1.00 65.45 H new ATOM 0 HD3 LYS A 51 5.623 1.808 -11.464 1.00 65.45 H new ATOM 0 HE2 LYS A 51 7.022 2.057 -13.481 1.00 10.41 H new ATOM 0 HE3 LYS A 51 5.596 2.304 -14.469 1.00 10.41 H new ATOM 0 HZ1 LYS A 51 6.644 4.391 -13.906 1.00 60.51 H new ATOM 0 HZ2 LYS A 51 5.100 4.309 -13.204 1.00 60.51 H new ATOM 0 HZ3 LYS A 51 6.482 4.069 -12.247 1.00 60.51 H new ATOM 863 N SER A 52 1.846 -0.360 -16.191 1.00 14.20 N ATOM 864 CA SER A 52 1.373 -0.513 -17.555 1.00 64.22 C ATOM 865 C SER A 52 0.079 0.282 -17.777 1.00 72.03 C ATOM 866 O SER A 52 -0.313 0.554 -18.913 1.00 35.12 O ATOM 867 CB SER A 52 1.156 -1.997 -17.870 1.00 65.32 C ATOM 868 OG SER A 52 0.798 -2.194 -19.226 1.00 72.30 O ATOM 0 H SER A 52 1.513 -1.074 -15.543 1.00 14.20 H new ATOM 0 HA SER A 52 2.130 -0.117 -18.232 1.00 64.22 H new ATOM 0 HB2 SER A 52 2.067 -2.554 -17.649 1.00 65.32 H new ATOM 0 HB3 SER A 52 0.374 -2.396 -17.225 1.00 65.32 H new ATOM 0 HG SER A 52 0.668 -3.151 -19.394 1.00 72.30 H new ATOM 874 N GLY A 53 -0.569 0.666 -16.686 1.00 63.20 N ATOM 875 CA GLY A 53 -1.810 1.412 -16.788 1.00 41.23 C ATOM 876 C GLY A 53 -2.988 0.512 -17.094 1.00 23.23 C ATOM 877 O GLY A 53 -3.946 0.923 -17.749 1.00 65.15 O ATOM 0 H GLY A 53 -0.259 0.475 -15.733 1.00 63.20 H new ATOM 0 HA2 GLY A 53 -1.992 1.943 -15.853 1.00 41.23 H new ATOM 0 HA3 GLY A 53 -1.717 2.166 -17.570 1.00 41.23 H new ATOM 881 N GLU A 54 -2.906 -0.719 -16.615 1.00 75.41 N ATOM 882 CA GLU A 54 -3.945 -1.709 -16.831 1.00 40.24 C ATOM 883 C GLU A 54 -5.114 -1.481 -15.889 1.00 62.33 C ATOM 884 O GLU A 54 -6.163 -0.979 -16.289 1.00 61.32 O ATOM 885 CB GLU A 54 -3.381 -3.112 -16.621 1.00 61.52 C ATOM 886 CG GLU A 54 -2.404 -3.545 -17.688 1.00 31.45 C ATOM 887 CD GLU A 54 -3.073 -3.744 -19.022 1.00 71.43 C ATOM 888 OE1 GLU A 54 -3.742 -4.781 -19.202 1.00 2.13 O ATOM 889 OE2 GLU A 54 -2.939 -2.872 -19.898 1.00 32.30 O ATOM 0 H GLU A 54 -2.116 -1.059 -16.066 1.00 75.41 H new ATOM 0 HA GLU A 54 -4.302 -1.611 -17.856 1.00 40.24 H new ATOM 0 HB2 GLU A 54 -2.886 -3.152 -15.651 1.00 61.52 H new ATOM 0 HB3 GLU A 54 -4.206 -3.823 -16.588 1.00 61.52 H new ATOM 0 HG2 GLU A 54 -1.618 -2.796 -17.785 1.00 31.45 H new ATOM 0 HG3 GLU A 54 -1.922 -4.474 -17.382 1.00 31.45 H new ATOM 896 N GLU A 55 -4.923 -1.843 -14.640 1.00 44.33 N ATOM 897 CA GLU A 55 -5.948 -1.689 -13.635 1.00 21.44 C ATOM 898 C GLU A 55 -5.611 -0.517 -12.738 1.00 2.41 C ATOM 899 O GLU A 55 -4.502 0.018 -12.804 1.00 0.53 O ATOM 900 CB GLU A 55 -6.100 -2.972 -12.802 1.00 63.14 C ATOM 901 CG GLU A 55 -6.833 -4.117 -13.511 1.00 71.10 C ATOM 902 CD GLU A 55 -6.119 -4.630 -14.749 1.00 61.50 C ATOM 903 OE1 GLU A 55 -5.139 -5.387 -14.608 1.00 40.41 O ATOM 904 OE2 GLU A 55 -6.548 -4.288 -15.876 1.00 50.03 O ATOM 0 H GLU A 55 -4.055 -2.251 -14.294 1.00 44.33 H new ATOM 0 HA GLU A 55 -6.898 -1.499 -14.134 1.00 21.44 H new ATOM 0 HB2 GLU A 55 -5.108 -3.319 -12.511 1.00 63.14 H new ATOM 0 HB3 GLU A 55 -6.635 -2.731 -11.884 1.00 63.14 H new ATOM 0 HG2 GLU A 55 -6.963 -4.942 -12.810 1.00 71.10 H new ATOM 0 HG3 GLU A 55 -7.830 -3.778 -13.793 1.00 71.10 H new ATOM 911 N ASP A 56 -6.552 -0.115 -11.915 1.00 35.14 N ATOM 912 CA ASP A 56 -6.344 1.007 -11.017 1.00 65.43 C ATOM 913 C ASP A 56 -5.918 0.514 -9.651 1.00 20.45 C ATOM 914 O ASP A 56 -6.318 -0.577 -9.220 1.00 30.31 O ATOM 915 CB ASP A 56 -7.617 1.852 -10.885 1.00 42.01 C ATOM 916 CG ASP A 56 -8.063 2.466 -12.198 1.00 54.23 C ATOM 917 OD1 ASP A 56 -8.842 1.818 -12.928 1.00 61.23 O ATOM 918 OD2 ASP A 56 -7.644 3.600 -12.506 1.00 4.10 O ATOM 0 H ASP A 56 -7.473 -0.547 -11.846 1.00 35.14 H new ATOM 0 HA ASP A 56 -5.556 1.631 -11.439 1.00 65.43 H new ATOM 0 HB2 ASP A 56 -8.420 1.229 -10.491 1.00 42.01 H new ATOM 0 HB3 ASP A 56 -7.445 2.647 -10.159 1.00 42.01 H new ATOM 923 N PHE A 57 -5.115 1.316 -8.968 1.00 41.43 N ATOM 924 CA PHE A 57 -4.643 0.987 -7.629 1.00 32.44 C ATOM 925 C PHE A 57 -5.833 0.851 -6.699 1.00 73.43 C ATOM 926 O PHE A 57 -5.840 0.012 -5.793 1.00 34.12 O ATOM 927 CB PHE A 57 -3.699 2.088 -7.126 1.00 74.30 C ATOM 928 CG PHE A 57 -3.103 1.836 -5.764 1.00 54.31 C ATOM 929 CD1 PHE A 57 -3.744 2.277 -4.616 1.00 52.22 C ATOM 930 CD2 PHE A 57 -1.896 1.172 -5.635 1.00 51.50 C ATOM 931 CE1 PHE A 57 -3.192 2.055 -3.371 1.00 43.10 C ATOM 932 CE2 PHE A 57 -1.341 0.947 -4.393 1.00 3.31 C ATOM 933 CZ PHE A 57 -1.990 1.391 -3.262 1.00 3.01 C ATOM 0 H PHE A 57 -4.773 2.209 -9.323 1.00 41.43 H new ATOM 0 HA PHE A 57 -4.097 0.044 -7.654 1.00 32.44 H new ATOM 0 HB2 PHE A 57 -2.889 2.209 -7.845 1.00 74.30 H new ATOM 0 HB3 PHE A 57 -4.245 3.031 -7.099 1.00 74.30 H new ATOM 0 HD1 PHE A 57 -4.685 2.800 -4.697 1.00 52.22 H new ATOM 0 HD2 PHE A 57 -1.382 0.825 -6.519 1.00 51.50 H new ATOM 0 HE1 PHE A 57 -3.701 2.401 -2.484 1.00 43.10 H new ATOM 0 HE2 PHE A 57 -0.400 0.424 -4.307 1.00 3.31 H new ATOM 0 HZ PHE A 57 -1.556 1.218 -2.288 1.00 3.01 H new ATOM 943 N GLU A 58 -6.845 1.674 -6.951 1.00 74.21 N ATOM 944 CA GLU A 58 -8.069 1.673 -6.173 1.00 1.12 C ATOM 945 C GLU A 58 -8.703 0.288 -6.155 1.00 13.34 C ATOM 946 O GLU A 58 -9.021 -0.242 -5.094 1.00 44.44 O ATOM 947 CB GLU A 58 -9.055 2.688 -6.743 1.00 14.54 C ATOM 948 CG GLU A 58 -8.540 4.115 -6.735 1.00 32.32 C ATOM 949 CD GLU A 58 -9.566 5.100 -7.241 1.00 45.11 C ATOM 950 OE1 GLU A 58 -9.746 5.199 -8.467 1.00 53.43 O ATOM 951 OE2 GLU A 58 -10.198 5.789 -6.411 1.00 50.53 O ATOM 0 H GLU A 58 -6.835 2.361 -7.704 1.00 74.21 H new ATOM 0 HA GLU A 58 -7.820 1.950 -5.149 1.00 1.12 H new ATOM 0 HB2 GLU A 58 -9.300 2.406 -7.767 1.00 14.54 H new ATOM 0 HB3 GLU A 58 -9.981 2.643 -6.169 1.00 14.54 H new ATOM 0 HG2 GLU A 58 -8.248 4.387 -5.721 1.00 32.32 H new ATOM 0 HG3 GLU A 58 -7.644 4.178 -7.352 1.00 32.32 H new ATOM 958 N SER A 59 -8.864 -0.302 -7.333 1.00 53.10 N ATOM 959 CA SER A 59 -9.477 -1.617 -7.450 1.00 35.01 C ATOM 960 C SER A 59 -8.621 -2.675 -6.756 1.00 5.42 C ATOM 961 O SER A 59 -9.141 -3.587 -6.112 1.00 75.15 O ATOM 962 CB SER A 59 -9.690 -1.985 -8.927 1.00 61.43 C ATOM 963 OG SER A 59 -10.495 -3.148 -9.059 1.00 32.50 O ATOM 0 H SER A 59 -8.578 0.111 -8.221 1.00 53.10 H new ATOM 0 HA SER A 59 -10.449 -1.584 -6.958 1.00 35.01 H new ATOM 0 HB2 SER A 59 -10.163 -1.152 -9.447 1.00 61.43 H new ATOM 0 HB3 SER A 59 -8.725 -2.152 -9.405 1.00 61.43 H new ATOM 0 HG SER A 59 -10.614 -3.357 -10.009 1.00 32.50 H new ATOM 969 N LEU A 60 -7.312 -2.532 -6.871 1.00 20.40 N ATOM 970 CA LEU A 60 -6.389 -3.470 -6.259 1.00 70.21 C ATOM 971 C LEU A 60 -6.478 -3.400 -4.735 1.00 32.31 C ATOM 972 O LEU A 60 -6.492 -4.426 -4.053 1.00 41.14 O ATOM 973 CB LEU A 60 -4.959 -3.190 -6.723 1.00 55.40 C ATOM 974 CG LEU A 60 -4.729 -3.244 -8.236 1.00 23.34 C ATOM 975 CD1 LEU A 60 -3.283 -2.915 -8.571 1.00 63.21 C ATOM 976 CD2 LEU A 60 -5.108 -4.610 -8.789 1.00 54.12 C ATOM 0 H LEU A 60 -6.864 -1.773 -7.384 1.00 20.40 H new ATOM 0 HA LEU A 60 -6.666 -4.477 -6.572 1.00 70.21 H new ATOM 0 HB2 LEU A 60 -4.667 -2.203 -6.365 1.00 55.40 H new ATOM 0 HB3 LEU A 60 -4.294 -3.911 -6.247 1.00 55.40 H new ATOM 0 HG LEU A 60 -5.368 -2.496 -8.704 1.00 23.34 H new ATOM 0 HD11 LEU A 60 -3.141 -2.959 -9.651 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -3.046 -1.913 -8.214 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -2.624 -3.637 -8.089 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -4.937 -4.627 -9.865 1.00 54.12 H new ATOM 0 HD22 LEU A 60 -4.498 -5.377 -8.313 1.00 54.12 H new ATOM 0 HD23 LEU A 60 -6.161 -4.805 -8.586 1.00 54.12 H new ATOM 988 N ALA A 61 -6.566 -2.188 -4.213 1.00 45.22 N ATOM 989 CA ALA A 61 -6.644 -1.975 -2.776 1.00 41.41 C ATOM 990 C ALA A 61 -8.043 -2.274 -2.236 1.00 50.45 C ATOM 991 O ALA A 61 -8.237 -2.404 -1.029 1.00 54.51 O ATOM 992 CB ALA A 61 -6.231 -0.556 -2.431 1.00 5.52 C ATOM 0 H ALA A 61 -6.585 -1.331 -4.766 1.00 45.22 H new ATOM 0 HA ALA A 61 -5.953 -2.670 -2.299 1.00 41.41 H new ATOM 0 HB1 ALA A 61 -6.294 -0.411 -1.353 1.00 5.52 H new ATOM 0 HB2 ALA A 61 -5.206 -0.385 -2.761 1.00 5.52 H new ATOM 0 HB3 ALA A 61 -6.896 0.148 -2.931 1.00 5.52 H new ATOM 998 N SER A 62 -9.005 -2.389 -3.129 1.00 35.11 N ATOM 999 CA SER A 62 -10.374 -2.667 -2.739 1.00 11.25 C ATOM 1000 C SER A 62 -10.725 -4.143 -2.915 1.00 30.14 C ATOM 1001 O SER A 62 -11.844 -4.559 -2.622 1.00 33.15 O ATOM 1002 CB SER A 62 -11.338 -1.802 -3.547 1.00 31.11 C ATOM 1003 OG SER A 62 -11.034 -0.424 -3.394 1.00 54.14 O ATOM 0 H SER A 62 -8.864 -2.294 -4.135 1.00 35.11 H new ATOM 0 HA SER A 62 -10.470 -2.426 -1.680 1.00 11.25 H new ATOM 0 HB2 SER A 62 -11.282 -2.076 -4.601 1.00 31.11 H new ATOM 0 HB3 SER A 62 -12.361 -1.991 -3.222 1.00 31.11 H new ATOM 0 HG SER A 62 -10.272 -0.192 -3.964 1.00 54.14 H new ATOM 1009 N GLN A 63 -9.777 -4.934 -3.395 1.00 53.33 N ATOM 1010 CA GLN A 63 -10.034 -6.351 -3.617 1.00 0.53 C ATOM 1011 C GLN A 63 -8.885 -7.218 -3.128 1.00 64.53 C ATOM 1012 O GLN A 63 -9.085 -8.128 -2.334 1.00 42.12 O ATOM 1013 CB GLN A 63 -10.303 -6.631 -5.103 1.00 12.15 C ATOM 1014 CG GLN A 63 -11.517 -5.902 -5.668 1.00 62.24 C ATOM 1015 CD GLN A 63 -11.762 -6.202 -7.137 1.00 11.10 C ATOM 1016 OE1 GLN A 63 -12.902 -6.186 -7.602 1.00 12.24 O ATOM 1017 NE2 GLN A 63 -10.700 -6.470 -7.876 1.00 4.42 N ATOM 0 H GLN A 63 -8.835 -4.626 -3.636 1.00 53.33 H new ATOM 0 HA GLN A 63 -10.921 -6.609 -3.039 1.00 0.53 H new ATOM 0 HB2 GLN A 63 -9.422 -6.347 -5.680 1.00 12.15 H new ATOM 0 HB3 GLN A 63 -10.442 -7.704 -5.240 1.00 12.15 H new ATOM 0 HG2 GLN A 63 -12.401 -6.181 -5.094 1.00 62.24 H new ATOM 0 HG3 GLN A 63 -11.380 -4.828 -5.541 1.00 62.24 H new ATOM 0 HE21 GLN A 63 -9.772 -6.473 -7.453 1.00 4.42 H new ATOM 0 HE22 GLN A 63 -10.808 -6.673 -8.870 1.00 4.42 H new ATOM 1026 N PHE A 64 -7.686 -6.935 -3.603 1.00 72.40 N ATOM 1027 CA PHE A 64 -6.516 -7.729 -3.250 1.00 41.12 C ATOM 1028 C PHE A 64 -6.013 -7.385 -1.855 1.00 21.32 C ATOM 1029 O PHE A 64 -5.521 -8.258 -1.128 1.00 24.14 O ATOM 1030 CB PHE A 64 -5.409 -7.533 -4.282 1.00 14.34 C ATOM 1031 CG PHE A 64 -5.732 -8.102 -5.640 1.00 34.24 C ATOM 1032 CD1 PHE A 64 -6.521 -7.399 -6.537 1.00 1.32 C ATOM 1033 CD2 PHE A 64 -5.239 -9.343 -6.018 1.00 32.34 C ATOM 1034 CE1 PHE A 64 -6.811 -7.920 -7.782 1.00 21.33 C ATOM 1035 CE2 PHE A 64 -5.528 -9.868 -7.263 1.00 32.33 C ATOM 1036 CZ PHE A 64 -6.315 -9.156 -8.146 1.00 72.35 C ATOM 0 H PHE A 64 -7.493 -6.159 -4.237 1.00 72.40 H new ATOM 0 HA PHE A 64 -6.811 -8.778 -3.248 1.00 41.12 H new ATOM 0 HB2 PHE A 64 -5.206 -6.467 -4.385 1.00 14.34 H new ATOM 0 HB3 PHE A 64 -4.495 -7.997 -3.912 1.00 14.34 H new ATOM 0 HD1 PHE A 64 -6.914 -6.432 -6.259 1.00 1.32 H new ATOM 0 HD2 PHE A 64 -4.623 -9.905 -5.332 1.00 32.34 H new ATOM 0 HE1 PHE A 64 -7.426 -7.361 -8.471 1.00 21.33 H new ATOM 0 HE2 PHE A 64 -5.138 -10.835 -7.545 1.00 32.33 H new ATOM 0 HZ PHE A 64 -6.542 -9.565 -9.119 1.00 72.35 H new ATOM 1046 N SER A 65 -6.137 -6.119 -1.489 1.00 44.33 N ATOM 1047 CA SER A 65 -5.727 -5.653 -0.175 1.00 53.15 C ATOM 1048 C SER A 65 -6.629 -6.249 0.899 1.00 64.24 C ATOM 1049 O SER A 65 -7.849 -6.318 0.729 1.00 44.05 O ATOM 1050 CB SER A 65 -5.768 -4.121 -0.129 1.00 11.51 C ATOM 1051 OG SER A 65 -5.386 -3.614 1.141 1.00 75.30 O ATOM 0 H SER A 65 -6.522 -5.390 -2.090 1.00 44.33 H new ATOM 0 HA SER A 65 -4.705 -5.979 0.017 1.00 53.15 H new ATOM 0 HB2 SER A 65 -5.105 -3.718 -0.894 1.00 11.51 H new ATOM 0 HB3 SER A 65 -6.775 -3.778 -0.368 1.00 11.51 H new ATOM 0 HG SER A 65 -5.424 -2.635 1.127 1.00 75.30 H new ATOM 1057 N ASP A 66 -6.026 -6.677 1.995 1.00 2.04 N ATOM 1058 CA ASP A 66 -6.760 -7.299 3.101 1.00 73.14 C ATOM 1059 C ASP A 66 -7.208 -6.262 4.123 1.00 32.10 C ATOM 1060 O ASP A 66 -7.788 -6.603 5.161 1.00 2.41 O ATOM 1061 CB ASP A 66 -5.892 -8.358 3.792 1.00 12.34 C ATOM 1062 CG ASP A 66 -4.587 -7.795 4.330 1.00 73.11 C ATOM 1063 OD1 ASP A 66 -4.597 -7.151 5.415 1.00 73.41 O ATOM 1064 OD2 ASP A 66 -3.544 -8.002 3.683 1.00 1.11 O ATOM 0 H ASP A 66 -5.020 -6.607 2.150 1.00 2.04 H new ATOM 0 HA ASP A 66 -7.646 -7.774 2.680 1.00 73.14 H new ATOM 0 HB2 ASP A 66 -6.455 -8.803 4.612 1.00 12.34 H new ATOM 0 HB3 ASP A 66 -5.672 -9.158 3.085 1.00 12.34 H new ATOM 1069 N ALA A 67 -6.952 -5.006 3.828 1.00 15.34 N ATOM 1070 CA ALA A 67 -7.290 -3.929 4.737 1.00 73.42 C ATOM 1071 C ALA A 67 -8.675 -3.363 4.461 1.00 45.22 C ATOM 1072 O ALA A 67 -9.217 -3.516 3.366 1.00 51.55 O ATOM 1073 CB ALA A 67 -6.250 -2.829 4.651 1.00 70.52 C ATOM 0 H ALA A 67 -6.508 -4.703 2.961 1.00 15.34 H new ATOM 0 HA ALA A 67 -7.300 -4.342 5.746 1.00 73.42 H new ATOM 0 HB1 ALA A 67 -6.513 -2.025 5.338 1.00 70.52 H new ATOM 0 HB2 ALA A 67 -5.273 -3.230 4.920 1.00 70.52 H new ATOM 0 HB3 ALA A 67 -6.215 -2.440 3.633 1.00 70.52 H new ATOM 1079 N SER A 68 -9.224 -2.680 5.459 1.00 64.21 N ATOM 1080 CA SER A 68 -10.535 -2.053 5.361 1.00 25.54 C ATOM 1081 C SER A 68 -10.492 -0.842 4.428 1.00 73.45 C ATOM 1082 O SER A 68 -11.525 -0.238 4.115 1.00 13.12 O ATOM 1083 CB SER A 68 -11.011 -1.639 6.752 1.00 20.45 C ATOM 1084 OG SER A 68 -9.981 -0.959 7.459 1.00 61.54 O ATOM 0 H SER A 68 -8.770 -2.546 6.362 1.00 64.21 H new ATOM 0 HA SER A 68 -11.237 -2.773 4.942 1.00 25.54 H new ATOM 0 HB2 SER A 68 -11.885 -0.993 6.665 1.00 20.45 H new ATOM 0 HB3 SER A 68 -11.321 -2.521 7.312 1.00 20.45 H new ATOM 0 HG SER A 68 -10.308 -0.702 8.346 1.00 61.54 H new ATOM 1090 N SER A 69 -9.284 -0.499 3.986 1.00 24.42 N ATOM 1091 CA SER A 69 -9.052 0.618 3.083 1.00 51.15 C ATOM 1092 C SER A 69 -9.885 0.489 1.801 1.00 65.04 C ATOM 1093 O SER A 69 -10.099 1.472 1.099 1.00 5.24 O ATOM 1094 CB SER A 69 -7.571 0.691 2.744 1.00 41.51 C ATOM 1095 OG SER A 69 -6.791 0.664 3.926 1.00 30.22 O ATOM 0 H SER A 69 -8.433 -0.996 4.249 1.00 24.42 H new ATOM 0 HA SER A 69 -9.362 1.536 3.583 1.00 51.15 H new ATOM 0 HB2 SER A 69 -7.297 -0.145 2.101 1.00 41.51 H new ATOM 0 HB3 SER A 69 -7.364 1.604 2.185 1.00 41.51 H new ATOM 0 HG SER A 69 -6.228 1.465 3.965 1.00 30.22 H new ATOM 1101 N ALA A 70 -10.349 -0.732 1.512 1.00 71.53 N ATOM 1102 CA ALA A 70 -11.204 -1.004 0.359 1.00 1.10 C ATOM 1103 C ALA A 70 -12.424 -0.076 0.334 1.00 62.24 C ATOM 1104 O ALA A 70 -12.944 0.254 -0.732 1.00 11.33 O ATOM 1105 CB ALA A 70 -11.655 -2.456 0.387 1.00 53.23 C ATOM 0 H ALA A 70 -10.140 -1.558 2.073 1.00 71.53 H new ATOM 0 HA ALA A 70 -10.625 -0.817 -0.545 1.00 1.10 H new ATOM 0 HB1 ALA A 70 -12.293 -2.656 -0.474 1.00 53.23 H new ATOM 0 HB2 ALA A 70 -10.783 -3.109 0.352 1.00 53.23 H new ATOM 0 HB3 ALA A 70 -12.213 -2.646 1.304 1.00 53.23 H new ATOM 1111 N LYS A 71 -12.865 0.347 1.512 1.00 1.44 N ATOM 1112 CA LYS A 71 -14.013 1.245 1.632 1.00 31.22 C ATOM 1113 C LYS A 71 -13.683 2.633 1.076 1.00 75.51 C ATOM 1114 O LYS A 71 -14.567 3.368 0.646 1.00 14.24 O ATOM 1115 CB LYS A 71 -14.440 1.363 3.095 1.00 34.31 C ATOM 1116 CG LYS A 71 -14.899 0.055 3.720 1.00 71.22 C ATOM 1117 CD LYS A 71 -16.185 -0.449 3.082 1.00 72.32 C ATOM 1118 CE LYS A 71 -16.684 -1.713 3.763 1.00 13.05 C ATOM 1119 NZ LYS A 71 -16.936 -1.500 5.209 1.00 52.14 N ATOM 0 H LYS A 71 -12.445 0.083 2.403 1.00 1.44 H new ATOM 0 HA LYS A 71 -14.833 0.825 1.050 1.00 31.22 H new ATOM 0 HB2 LYS A 71 -13.605 1.756 3.675 1.00 34.31 H new ATOM 0 HB3 LYS A 71 -15.248 2.090 3.168 1.00 34.31 H new ATOM 0 HG2 LYS A 71 -14.118 -0.697 3.608 1.00 71.22 H new ATOM 0 HG3 LYS A 71 -15.054 0.197 4.790 1.00 71.22 H new ATOM 0 HD2 LYS A 71 -16.950 0.325 3.142 1.00 72.32 H new ATOM 0 HD3 LYS A 71 -16.015 -0.647 2.024 1.00 72.32 H new ATOM 0 HE2 LYS A 71 -17.602 -2.047 3.280 1.00 13.05 H new ATOM 0 HE3 LYS A 71 -15.949 -2.508 3.636 1.00 13.05 H new ATOM 0 HZ1 LYS A 71 -17.533 -2.269 5.574 1.00 52.14 H new ATOM 0 HZ2 LYS A 71 -16.031 -1.491 5.721 1.00 52.14 H new ATOM 0 HZ3 LYS A 71 -17.421 -0.590 5.347 1.00 52.14 H new ATOM 1133 N ALA A 72 -12.409 2.975 1.085 1.00 53.40 N ATOM 1134 CA ALA A 72 -11.953 4.267 0.600 1.00 2.13 C ATOM 1135 C ALA A 72 -11.096 4.100 -0.646 1.00 5.54 C ATOM 1136 O ALA A 72 -10.341 4.999 -1.018 1.00 32.02 O ATOM 1137 CB ALA A 72 -11.174 4.982 1.691 1.00 5.31 C ATOM 0 H ALA A 72 -11.663 2.370 1.427 1.00 53.40 H new ATOM 0 HA ALA A 72 -12.822 4.869 0.335 1.00 2.13 H new ATOM 0 HB1 ALA A 72 -10.835 5.950 1.321 1.00 5.31 H new ATOM 0 HB2 ALA A 72 -11.816 5.130 2.559 1.00 5.31 H new ATOM 0 HB3 ALA A 72 -10.311 4.380 1.976 1.00 5.31 H new ATOM 1143 N ARG A 73 -11.220 2.929 -1.285 1.00 32.33 N ATOM 1144 CA ARG A 73 -10.470 2.599 -2.513 1.00 22.45 C ATOM 1145 C ARG A 73 -8.967 2.484 -2.250 1.00 34.21 C ATOM 1146 O ARG A 73 -8.173 2.411 -3.178 1.00 32.30 O ATOM 1147 CB ARG A 73 -10.729 3.624 -3.634 1.00 14.05 C ATOM 1148 CG ARG A 73 -12.080 3.485 -4.339 1.00 10.14 C ATOM 1149 CD ARG A 73 -13.240 3.893 -3.444 1.00 11.55 C ATOM 1150 NE ARG A 73 -13.144 5.293 -3.022 1.00 5.05 N ATOM 1151 CZ ARG A 73 -14.141 5.979 -2.457 1.00 1.24 C ATOM 1152 NH1 ARG A 73 -15.319 5.398 -2.247 1.00 31.24 N ATOM 1153 NH2 ARG A 73 -13.955 7.245 -2.101 1.00 54.23 N ATOM 0 H ARG A 73 -11.840 2.183 -0.970 1.00 32.33 H new ATOM 0 HA ARG A 73 -10.836 1.627 -2.843 1.00 22.45 H new ATOM 0 HB2 ARG A 73 -10.658 4.627 -3.212 1.00 14.05 H new ATOM 0 HB3 ARG A 73 -9.937 3.534 -4.378 1.00 14.05 H new ATOM 0 HG2 ARG A 73 -12.083 4.101 -5.239 1.00 10.14 H new ATOM 0 HG3 ARG A 73 -12.216 2.452 -4.659 1.00 10.14 H new ATOM 0 HD2 ARG A 73 -14.179 3.738 -3.975 1.00 11.55 H new ATOM 0 HD3 ARG A 73 -13.262 3.250 -2.564 1.00 11.55 H new ATOM 0 HE ARG A 73 -12.257 5.775 -3.169 1.00 5.05 H new ATOM 0 HH11 ARG A 73 -15.463 4.425 -2.518 1.00 31.24 H new ATOM 0 HH12 ARG A 73 -16.078 5.925 -1.815 1.00 31.24 H new ATOM 0 HH21 ARG A 73 -13.052 7.692 -2.259 1.00 54.23 H new ATOM 0 HH22 ARG A 73 -14.715 7.770 -1.669 1.00 54.23 H new ATOM 1167 N GLY A 74 -8.590 2.456 -0.985 1.00 24.21 N ATOM 1168 CA GLY A 74 -7.192 2.346 -0.636 1.00 34.01 C ATOM 1169 C GLY A 74 -6.533 3.692 -0.419 1.00 72.42 C ATOM 1170 O GLY A 74 -5.353 3.763 -0.078 1.00 24.01 O ATOM 0 H GLY A 74 -9.228 2.508 -0.191 1.00 24.21 H new ATOM 0 HA2 GLY A 74 -7.095 1.749 0.271 1.00 34.01 H new ATOM 0 HA3 GLY A 74 -6.666 1.812 -1.427 1.00 34.01 H new ATOM 1174 N ASP A 75 -7.286 4.761 -0.604 1.00 43.50 N ATOM 1175 CA ASP A 75 -6.742 6.103 -0.444 1.00 14.30 C ATOM 1176 C ASP A 75 -6.923 6.607 0.982 1.00 33.44 C ATOM 1177 O ASP A 75 -7.924 6.306 1.640 1.00 73.54 O ATOM 1178 CB ASP A 75 -7.383 7.076 -1.442 1.00 33.42 C ATOM 1179 CG ASP A 75 -6.796 8.475 -1.350 1.00 41.13 C ATOM 1180 OD1 ASP A 75 -5.561 8.600 -1.243 1.00 10.21 O ATOM 1181 OD2 ASP A 75 -7.570 9.458 -1.405 1.00 14.41 O ATOM 0 H ASP A 75 -8.272 4.730 -0.864 1.00 43.50 H new ATOM 0 HA ASP A 75 -5.673 6.051 -0.651 1.00 14.30 H new ATOM 0 HB2 ASP A 75 -7.248 6.695 -2.454 1.00 33.42 H new ATOM 0 HB3 ASP A 75 -8.457 7.123 -1.260 1.00 33.42 H new ATOM 1186 N LEU A 76 -5.943 7.354 1.460 1.00 14.55 N ATOM 1187 CA LEU A 76 -5.984 7.923 2.803 1.00 21.30 C ATOM 1188 C LEU A 76 -6.279 9.408 2.741 1.00 35.53 C ATOM 1189 O LEU A 76 -6.758 10.002 3.714 1.00 42.53 O ATOM 1190 CB LEU A 76 -4.648 7.702 3.519 1.00 41.12 C ATOM 1191 CG LEU A 76 -4.353 6.272 3.961 1.00 40.14 C ATOM 1192 CD1 LEU A 76 -2.913 6.149 4.423 1.00 63.32 C ATOM 1193 CD2 LEU A 76 -5.302 5.859 5.078 1.00 13.43 C ATOM 0 H LEU A 76 -5.100 7.584 0.935 1.00 14.55 H new ATOM 0 HA LEU A 76 -6.777 7.422 3.358 1.00 21.30 H new ATOM 0 HB2 LEU A 76 -3.846 8.029 2.858 1.00 41.12 H new ATOM 0 HB3 LEU A 76 -4.619 8.346 4.398 1.00 41.12 H new ATOM 0 HG LEU A 76 -4.504 5.607 3.111 1.00 40.14 H new ATOM 0 HD11 LEU A 76 -2.717 5.123 4.735 1.00 63.32 H new ATOM 0 HD12 LEU A 76 -2.244 6.413 3.604 1.00 63.32 H new ATOM 0 HD13 LEU A 76 -2.741 6.823 5.262 1.00 63.32 H new ATOM 0 HD21 LEU A 76 -5.081 4.837 5.384 1.00 13.43 H new ATOM 0 HD22 LEU A 76 -5.175 6.528 5.929 1.00 13.43 H new ATOM 0 HD23 LEU A 76 -6.330 5.916 4.721 1.00 13.43 H new ATOM 1205 N GLY A 77 -6.004 10.003 1.597 1.00 60.42 N ATOM 1206 CA GLY A 77 -6.196 11.417 1.453 1.00 11.51 C ATOM 1207 C GLY A 77 -5.009 12.182 1.980 1.00 22.53 C ATOM 1208 O GLY A 77 -3.901 11.651 2.039 1.00 63.15 O ATOM 0 H GLY A 77 -5.651 9.528 0.766 1.00 60.42 H new ATOM 0 HA2 GLY A 77 -6.352 11.661 0.402 1.00 11.51 H new ATOM 0 HA3 GLY A 77 -7.096 11.721 1.988 1.00 11.51 H new ATOM 1212 N ALA A 78 -5.236 13.416 2.375 1.00 32.14 N ATOM 1213 CA ALA A 78 -4.173 14.247 2.897 1.00 54.42 C ATOM 1214 C ALA A 78 -3.901 13.913 4.356 1.00 10.23 C ATOM 1215 O ALA A 78 -4.760 14.106 5.220 1.00 53.42 O ATOM 1216 CB ALA A 78 -4.528 15.719 2.743 1.00 43.33 C ATOM 0 H ALA A 78 -6.150 13.867 2.344 1.00 32.14 H new ATOM 0 HA ALA A 78 -3.266 14.048 2.326 1.00 54.42 H new ATOM 0 HB1 ALA A 78 -3.719 16.332 3.140 1.00 43.33 H new ATOM 0 HB2 ALA A 78 -4.674 15.950 1.688 1.00 43.33 H new ATOM 0 HB3 ALA A 78 -5.446 15.931 3.291 1.00 43.33 H new ATOM 1222 N PHE A 79 -2.720 13.402 4.622 1.00 14.43 N ATOM 1223 CA PHE A 79 -2.317 13.065 5.974 1.00 3.13 C ATOM 1224 C PHE A 79 -1.069 13.842 6.348 1.00 35.11 C ATOM 1225 O PHE A 79 -0.420 14.434 5.486 1.00 33.13 O ATOM 1226 CB PHE A 79 -2.073 11.553 6.117 1.00 43.30 C ATOM 1227 CG PHE A 79 -0.989 11.015 5.219 1.00 54.51 C ATOM 1228 CD1 PHE A 79 0.336 11.002 5.633 1.00 43.31 C ATOM 1229 CD2 PHE A 79 -1.297 10.524 3.963 1.00 33.31 C ATOM 1230 CE1 PHE A 79 1.328 10.511 4.809 1.00 41.52 C ATOM 1231 CE2 PHE A 79 -0.310 10.032 3.139 1.00 61.24 C ATOM 1232 CZ PHE A 79 1.005 10.025 3.561 1.00 32.54 C ATOM 0 H PHE A 79 -2.013 13.208 3.913 1.00 14.43 H new ATOM 0 HA PHE A 79 -3.124 13.338 6.654 1.00 3.13 H new ATOM 0 HB2 PHE A 79 -1.813 11.335 7.153 1.00 43.30 H new ATOM 0 HB3 PHE A 79 -3.002 11.025 5.903 1.00 43.30 H new ATOM 0 HD1 PHE A 79 0.593 11.381 6.611 1.00 43.31 H new ATOM 0 HD2 PHE A 79 -2.323 10.527 3.625 1.00 33.31 H new ATOM 0 HE1 PHE A 79 2.355 10.508 5.142 1.00 41.52 H new ATOM 0 HE2 PHE A 79 -0.564 9.651 2.161 1.00 61.24 H new ATOM 0 HZ PHE A 79 1.779 9.639 2.914 1.00 32.54 H new ATOM 1242 N SER A 80 -0.730 13.838 7.615 1.00 71.24 N ATOM 1243 CA SER A 80 0.427 14.558 8.073 1.00 11.22 C ATOM 1244 C SER A 80 1.487 13.588 8.602 1.00 12.42 C ATOM 1245 O SER A 80 1.222 12.396 8.768 1.00 53.32 O ATOM 1246 CB SER A 80 0.026 15.575 9.144 1.00 12.53 C ATOM 1247 OG SER A 80 0.975 16.626 9.236 1.00 51.14 O ATOM 0 H SER A 80 -1.241 13.343 8.345 1.00 71.24 H new ATOM 0 HA SER A 80 0.860 15.101 7.233 1.00 11.22 H new ATOM 0 HB2 SER A 80 -0.955 15.987 8.908 1.00 12.53 H new ATOM 0 HB3 SER A 80 -0.062 15.075 10.109 1.00 12.53 H new ATOM 0 HG SER A 80 1.595 16.574 8.479 1.00 51.14 H new ATOM 1253 N ARG A 81 2.675 14.114 8.871 1.00 34.42 N ATOM 1254 CA ARG A 81 3.811 13.312 9.342 1.00 63.10 C ATOM 1255 C ARG A 81 3.500 12.627 10.667 1.00 42.32 C ATOM 1256 O ARG A 81 3.777 11.443 10.842 1.00 71.14 O ATOM 1257 CB ARG A 81 5.036 14.201 9.497 1.00 63.44 C ATOM 1258 CG ARG A 81 5.419 14.930 8.227 1.00 72.32 C ATOM 1259 CD ARG A 81 6.348 16.087 8.516 1.00 14.24 C ATOM 1260 NE ARG A 81 5.717 17.084 9.383 1.00 63.24 N ATOM 1261 CZ ARG A 81 6.053 18.371 9.418 1.00 33.23 C ATOM 1262 NH1 ARG A 81 7.027 18.831 8.637 1.00 40.54 N ATOM 1263 NH2 ARG A 81 5.408 19.201 10.229 1.00 63.25 N ATOM 0 H ARG A 81 2.884 15.107 8.771 1.00 34.42 H new ATOM 0 HA ARG A 81 4.008 12.537 8.601 1.00 63.10 H new ATOM 0 HB2 ARG A 81 4.847 14.932 10.283 1.00 63.44 H new ATOM 0 HB3 ARG A 81 5.878 13.591 9.824 1.00 63.44 H new ATOM 0 HG2 ARG A 81 5.902 14.236 7.539 1.00 72.32 H new ATOM 0 HG3 ARG A 81 4.521 15.297 7.731 1.00 72.32 H new ATOM 0 HD2 ARG A 81 7.256 15.715 8.990 1.00 14.24 H new ATOM 0 HD3 ARG A 81 6.647 16.557 7.579 1.00 14.24 H new ATOM 0 HE ARG A 81 4.969 16.771 10.002 1.00 63.24 H new ATOM 0 HH11 ARG A 81 7.519 18.196 8.008 1.00 40.54 H new ATOM 0 HH12 ARG A 81 7.281 19.818 8.667 1.00 40.54 H new ATOM 0 HH21 ARG A 81 4.657 18.852 10.824 1.00 63.25 H new ATOM 0 HH22 ARG A 81 5.664 20.188 10.257 1.00 63.25 H new ATOM 1277 N GLY A 82 2.910 13.377 11.590 1.00 5.24 N ATOM 1278 CA GLY A 82 2.564 12.822 12.892 1.00 55.11 C ATOM 1279 C GLY A 82 1.344 11.920 12.832 1.00 22.23 C ATOM 1280 O GLY A 82 0.903 11.386 13.848 1.00 12.43 O ATOM 0 H GLY A 82 2.664 14.359 11.464 1.00 5.24 H new ATOM 0 HA2 GLY A 82 3.412 12.257 13.280 1.00 55.11 H new ATOM 0 HA3 GLY A 82 2.377 13.636 13.592 1.00 55.11 H new ATOM 1284 N GLN A 83 0.806 11.752 11.638 1.00 30.54 N ATOM 1285 CA GLN A 83 -0.356 10.912 11.418 1.00 12.14 C ATOM 1286 C GLN A 83 0.019 9.731 10.538 1.00 21.04 C ATOM 1287 O GLN A 83 -0.841 9.119 9.903 1.00 15.24 O ATOM 1288 CB GLN A 83 -1.472 11.723 10.744 1.00 23.23 C ATOM 1289 CG GLN A 83 -2.040 12.835 11.611 1.00 43.12 C ATOM 1290 CD GLN A 83 -2.752 12.313 12.847 1.00 1.42 C ATOM 1291 OE1 GLN A 83 -2.758 12.965 13.890 1.00 41.12 O ATOM 1292 NE2 GLN A 83 -3.366 11.149 12.737 1.00 21.10 N ATOM 0 H GLN A 83 1.164 12.195 10.792 1.00 30.54 H new ATOM 0 HA GLN A 83 -0.713 10.545 12.380 1.00 12.14 H new ATOM 0 HB2 GLN A 83 -1.085 12.157 9.822 1.00 23.23 H new ATOM 0 HB3 GLN A 83 -2.280 11.047 10.464 1.00 23.23 H new ATOM 0 HG2 GLN A 83 -1.232 13.500 11.916 1.00 43.12 H new ATOM 0 HG3 GLN A 83 -2.736 13.430 11.020 1.00 43.12 H new ATOM 0 HE21 GLN A 83 -3.338 10.639 11.854 1.00 21.10 H new ATOM 0 HE22 GLN A 83 -3.869 10.760 13.535 1.00 21.10 H new ATOM 1301 N MET A 84 1.301 9.409 10.509 1.00 22.33 N ATOM 1302 CA MET A 84 1.791 8.337 9.668 1.00 33.34 C ATOM 1303 C MET A 84 3.082 7.749 10.240 1.00 12.43 C ATOM 1304 O MET A 84 3.713 8.352 11.105 1.00 10.51 O ATOM 1305 CB MET A 84 2.027 8.880 8.252 1.00 14.43 C ATOM 1306 CG MET A 84 2.360 7.820 7.227 1.00 71.41 C ATOM 1307 SD MET A 84 1.131 6.500 7.171 1.00 3.32 S ATOM 1308 CE MET A 84 -0.351 7.427 6.768 1.00 14.14 C ATOM 0 H MET A 84 2.020 9.877 11.060 1.00 22.33 H new ATOM 0 HA MET A 84 1.050 7.539 9.632 1.00 33.34 H new ATOM 0 HB2 MET A 84 1.135 9.415 7.927 1.00 14.43 H new ATOM 0 HB3 MET A 84 2.840 9.606 8.284 1.00 14.43 H new ATOM 0 HG2 MET A 84 2.436 8.282 6.243 1.00 71.41 H new ATOM 0 HG3 MET A 84 3.337 7.393 7.455 1.00 71.41 H new ATOM 0 HE1 MET A 84 -1.184 6.738 6.629 1.00 14.14 H new ATOM 0 HE2 MET A 84 -0.581 8.116 7.581 1.00 14.14 H new ATOM 0 HE3 MET A 84 -0.189 7.991 5.849 1.00 14.14 H new ATOM 1318 N GLN A 85 3.453 6.561 9.769 1.00 73.32 N ATOM 1319 CA GLN A 85 4.687 5.911 10.197 1.00 72.31 C ATOM 1320 C GLN A 85 5.880 6.554 9.495 1.00 11.33 C ATOM 1321 O GLN A 85 5.755 7.020 8.362 1.00 1.51 O ATOM 1322 CB GLN A 85 4.654 4.399 9.900 1.00 44.31 C ATOM 1323 CG GLN A 85 3.582 3.612 10.660 1.00 11.55 C ATOM 1324 CD GLN A 85 2.182 3.824 10.116 1.00 74.24 C ATOM 1325 OE1 GLN A 85 1.459 4.717 10.549 1.00 33.43 O ATOM 1326 NE2 GLN A 85 1.790 2.999 9.167 1.00 2.14 N ATOM 0 H GLN A 85 2.913 6.027 9.088 1.00 73.32 H new ATOM 0 HA GLN A 85 4.785 6.041 11.275 1.00 72.31 H new ATOM 0 HB2 GLN A 85 4.497 4.258 8.831 1.00 44.31 H new ATOM 0 HB3 GLN A 85 5.630 3.976 10.138 1.00 44.31 H new ATOM 0 HG2 GLN A 85 3.823 2.550 10.618 1.00 11.55 H new ATOM 0 HG3 GLN A 85 3.604 3.903 11.710 1.00 11.55 H new ATOM 0 HE21 GLN A 85 2.420 2.269 8.833 1.00 2.14 H new ATOM 0 HE22 GLN A 85 0.857 3.090 8.766 1.00 2.14 H new ATOM 1335 N LYS A 86 7.033 6.554 10.155 1.00 32.51 N ATOM 1336 CA LYS A 86 8.237 7.204 9.617 1.00 22.21 C ATOM 1337 C LYS A 86 8.661 6.651 8.230 1.00 52.23 C ATOM 1338 O LYS A 86 8.885 7.432 7.309 1.00 71.14 O ATOM 1339 CB LYS A 86 9.406 7.122 10.609 1.00 23.14 C ATOM 1340 CG LYS A 86 10.525 8.111 10.314 1.00 61.35 C ATOM 1341 CD LYS A 86 10.111 9.533 10.667 1.00 44.51 C ATOM 1342 CE LYS A 86 11.190 10.539 10.301 1.00 21.31 C ATOM 1343 NZ LYS A 86 11.263 10.775 8.838 1.00 51.45 N ATOM 0 H LYS A 86 7.166 6.112 11.065 1.00 32.51 H new ATOM 0 HA LYS A 86 7.972 8.251 9.471 1.00 22.21 H new ATOM 0 HB2 LYS A 86 9.030 7.301 11.616 1.00 23.14 H new ATOM 0 HB3 LYS A 86 9.813 6.111 10.596 1.00 23.14 H new ATOM 0 HG2 LYS A 86 11.415 7.837 10.881 1.00 61.35 H new ATOM 0 HG3 LYS A 86 10.791 8.059 9.258 1.00 61.35 H new ATOM 0 HD2 LYS A 86 9.188 9.784 10.145 1.00 44.51 H new ATOM 0 HD3 LYS A 86 9.901 9.597 11.735 1.00 44.51 H new ATOM 0 HE2 LYS A 86 10.993 11.482 10.810 1.00 21.31 H new ATOM 0 HE3 LYS A 86 12.155 10.180 10.658 1.00 21.31 H new ATOM 0 HZ1 LYS A 86 12.223 11.083 8.584 1.00 51.45 H new ATOM 0 HZ2 LYS A 86 11.037 9.895 8.333 1.00 51.45 H new ATOM 0 HZ3 LYS A 86 10.580 11.513 8.571 1.00 51.45 H new ATOM 1357 N PRO A 87 8.777 5.294 8.049 1.00 73.30 N ATOM 1358 CA PRO A 87 9.169 4.710 6.750 1.00 34.15 C ATOM 1359 C PRO A 87 8.214 5.113 5.628 1.00 32.21 C ATOM 1360 O PRO A 87 8.617 5.260 4.471 1.00 4.00 O ATOM 1361 CB PRO A 87 9.091 3.197 6.993 1.00 30.44 C ATOM 1362 CG PRO A 87 9.226 3.043 8.467 1.00 1.43 C ATOM 1363 CD PRO A 87 8.559 4.242 9.069 1.00 42.24 C ATOM 0 HA PRO A 87 10.154 5.052 6.433 1.00 34.15 H new ATOM 0 HB2 PRO A 87 8.146 2.787 6.637 1.00 30.44 H new ATOM 0 HB3 PRO A 87 9.886 2.670 6.465 1.00 30.44 H new ATOM 0 HG2 PRO A 87 8.754 2.121 8.808 1.00 1.43 H new ATOM 0 HG3 PRO A 87 10.275 2.992 8.760 1.00 1.43 H new ATOM 0 HD2 PRO A 87 7.498 4.066 9.247 1.00 42.24 H new ATOM 0 HD3 PRO A 87 9.003 4.511 10.027 1.00 42.24 H new ATOM 1371 N PHE A 88 6.954 5.302 5.989 1.00 62.21 N ATOM 1372 CA PHE A 88 5.922 5.700 5.045 1.00 31.50 C ATOM 1373 C PHE A 88 6.055 7.201 4.756 1.00 1.51 C ATOM 1374 O PHE A 88 5.898 7.649 3.616 1.00 1.51 O ATOM 1375 CB PHE A 88 4.541 5.384 5.648 1.00 25.21 C ATOM 1376 CG PHE A 88 3.387 5.373 4.669 1.00 53.30 C ATOM 1377 CD1 PHE A 88 2.960 6.538 4.050 1.00 42.21 C ATOM 1378 CD2 PHE A 88 2.716 4.191 4.391 1.00 1.10 C ATOM 1379 CE1 PHE A 88 1.892 6.523 3.174 1.00 43.20 C ATOM 1380 CE2 PHE A 88 1.649 4.171 3.511 1.00 10.31 C ATOM 1381 CZ PHE A 88 1.237 5.339 2.903 1.00 43.34 C ATOM 0 H PHE A 88 6.618 5.184 6.945 1.00 62.21 H new ATOM 0 HA PHE A 88 6.032 5.152 4.109 1.00 31.50 H new ATOM 0 HB2 PHE A 88 4.591 4.410 6.134 1.00 25.21 H new ATOM 0 HB3 PHE A 88 4.327 6.117 6.426 1.00 25.21 H new ATOM 0 HD1 PHE A 88 3.469 7.468 4.255 1.00 42.21 H new ATOM 0 HD2 PHE A 88 3.031 3.275 4.868 1.00 1.10 H new ATOM 0 HE1 PHE A 88 1.569 7.439 2.701 1.00 43.20 H new ATOM 0 HE2 PHE A 88 1.139 3.243 3.300 1.00 10.31 H new ATOM 0 HZ PHE A 88 0.404 5.327 2.216 1.00 43.34 H new ATOM 1391 N GLU A 89 6.359 7.960 5.807 1.00 12.54 N ATOM 1392 CA GLU A 89 6.543 9.406 5.724 1.00 3.00 C ATOM 1393 C GLU A 89 7.664 9.760 4.746 1.00 72.12 C ATOM 1394 O GLU A 89 7.442 10.466 3.756 1.00 24.25 O ATOM 1395 CB GLU A 89 6.884 9.962 7.110 1.00 22.12 C ATOM 1396 CG GLU A 89 7.115 11.460 7.139 1.00 45.42 C ATOM 1397 CD GLU A 89 7.890 11.904 8.358 1.00 54.02 C ATOM 1398 OE1 GLU A 89 7.299 11.990 9.445 1.00 13.21 O ATOM 1399 OE2 GLU A 89 9.103 12.163 8.233 1.00 54.41 O ATOM 0 H GLU A 89 6.485 7.585 6.747 1.00 12.54 H new ATOM 0 HA GLU A 89 5.615 9.849 5.364 1.00 3.00 H new ATOM 0 HB2 GLU A 89 6.074 9.717 7.797 1.00 22.12 H new ATOM 0 HB3 GLU A 89 7.778 9.461 7.480 1.00 22.12 H new ATOM 0 HG2 GLU A 89 7.656 11.758 6.241 1.00 45.42 H new ATOM 0 HG3 GLU A 89 6.153 11.973 7.117 1.00 45.42 H new ATOM 1406 N ASP A 90 8.865 9.250 5.029 1.00 63.25 N ATOM 1407 CA ASP A 90 10.044 9.525 4.201 1.00 23.35 C ATOM 1408 C ASP A 90 9.810 9.133 2.758 1.00 32.42 C ATOM 1409 O ASP A 90 10.186 9.862 1.838 1.00 33.31 O ATOM 1410 CB ASP A 90 11.282 8.793 4.736 1.00 75.51 C ATOM 1411 CG ASP A 90 11.839 9.412 5.999 1.00 33.41 C ATOM 1412 OD1 ASP A 90 12.521 10.460 5.905 1.00 14.41 O ATOM 1413 OD2 ASP A 90 11.618 8.850 7.088 1.00 0.22 O ATOM 0 H ASP A 90 9.048 8.642 5.828 1.00 63.25 H new ATOM 0 HA ASP A 90 10.220 10.600 4.248 1.00 23.35 H new ATOM 0 HB2 ASP A 90 11.025 7.752 4.932 1.00 75.51 H new ATOM 0 HB3 ASP A 90 12.055 8.791 3.968 1.00 75.51 H new ATOM 1418 N ALA A 91 9.179 7.984 2.563 1.00 43.31 N ATOM 1419 CA ALA A 91 8.893 7.489 1.231 1.00 35.45 C ATOM 1420 C ALA A 91 7.962 8.434 0.482 1.00 75.12 C ATOM 1421 O ALA A 91 8.207 8.763 -0.666 1.00 20.23 O ATOM 1422 CB ALA A 91 8.292 6.095 1.298 1.00 52.32 C ATOM 0 H ALA A 91 8.855 7.377 3.316 1.00 43.31 H new ATOM 0 HA ALA A 91 9.834 7.437 0.683 1.00 35.45 H new ATOM 0 HB1 ALA A 91 8.084 5.740 0.289 1.00 52.32 H new ATOM 0 HB2 ALA A 91 8.996 5.418 1.783 1.00 52.32 H new ATOM 0 HB3 ALA A 91 7.365 6.126 1.870 1.00 52.32 H new ATOM 1428 N SER A 92 6.914 8.890 1.157 1.00 21.22 N ATOM 1429 CA SER A 92 5.935 9.788 0.549 1.00 73.34 C ATOM 1430 C SER A 92 6.585 11.079 0.045 1.00 3.41 C ATOM 1431 O SER A 92 6.233 11.590 -1.021 1.00 50.41 O ATOM 1432 CB SER A 92 4.828 10.115 1.548 1.00 21.34 C ATOM 1433 OG SER A 92 4.135 8.939 1.935 1.00 61.14 O ATOM 0 H SER A 92 6.718 8.653 2.129 1.00 21.22 H new ATOM 0 HA SER A 92 5.506 9.274 -0.311 1.00 73.34 H new ATOM 0 HB2 SER A 92 5.256 10.596 2.427 1.00 21.34 H new ATOM 0 HB3 SER A 92 4.130 10.825 1.104 1.00 21.34 H new ATOM 0 HG SER A 92 3.293 8.877 1.438 1.00 61.14 H new ATOM 1439 N PHE A 93 7.540 11.593 0.802 1.00 61.43 N ATOM 1440 CA PHE A 93 8.220 12.823 0.426 1.00 41.54 C ATOM 1441 C PHE A 93 9.267 12.568 -0.647 1.00 75.34 C ATOM 1442 O PHE A 93 9.622 13.472 -1.409 1.00 5.21 O ATOM 1443 CB PHE A 93 8.859 13.484 1.643 1.00 51.53 C ATOM 1444 CG PHE A 93 7.885 13.807 2.743 1.00 31.40 C ATOM 1445 CD1 PHE A 93 6.563 14.114 2.454 1.00 30.24 C ATOM 1446 CD2 PHE A 93 8.291 13.806 4.065 1.00 52.14 C ATOM 1447 CE1 PHE A 93 5.671 14.405 3.459 1.00 11.03 C ATOM 1448 CE2 PHE A 93 7.400 14.100 5.075 1.00 22.00 C ATOM 1449 CZ PHE A 93 6.088 14.399 4.772 1.00 1.40 C ATOM 0 H PHE A 93 7.862 11.180 1.678 1.00 61.43 H new ATOM 0 HA PHE A 93 7.472 13.501 0.016 1.00 41.54 H new ATOM 0 HB2 PHE A 93 9.632 12.825 2.038 1.00 51.53 H new ATOM 0 HB3 PHE A 93 9.353 14.403 1.327 1.00 51.53 H new ATOM 0 HD1 PHE A 93 6.230 14.124 1.427 1.00 30.24 H new ATOM 0 HD2 PHE A 93 9.317 13.572 4.309 1.00 52.14 H new ATOM 0 HE1 PHE A 93 4.644 14.638 3.219 1.00 11.03 H new ATOM 0 HE2 PHE A 93 7.729 14.096 6.104 1.00 22.00 H new ATOM 0 HZ PHE A 93 5.389 14.628 5.563 1.00 1.40 H new ATOM 1459 N ALA A 94 9.754 11.337 -0.707 1.00 50.15 N ATOM 1460 CA ALA A 94 10.740 10.953 -1.705 1.00 25.34 C ATOM 1461 C ALA A 94 10.053 10.613 -3.022 1.00 30.52 C ATOM 1462 O ALA A 94 10.665 10.674 -4.094 1.00 61.22 O ATOM 1463 CB ALA A 94 11.563 9.772 -1.212 1.00 23.23 C ATOM 0 H ALA A 94 9.481 10.585 -0.074 1.00 50.15 H new ATOM 0 HA ALA A 94 11.413 11.794 -1.872 1.00 25.34 H new ATOM 0 HB1 ALA A 94 12.296 9.497 -1.971 1.00 23.23 H new ATOM 0 HB2 ALA A 94 12.079 10.047 -0.292 1.00 23.23 H new ATOM 0 HB3 ALA A 94 10.905 8.925 -1.020 1.00 23.23 H new ATOM 1469 N LEU A 95 8.785 10.249 -2.932 1.00 64.30 N ATOM 1470 CA LEU A 95 7.990 9.930 -4.103 1.00 52.12 C ATOM 1471 C LEU A 95 7.493 11.195 -4.761 1.00 54.33 C ATOM 1472 O LEU A 95 7.278 12.212 -4.098 1.00 64.33 O ATOM 1473 CB LEU A 95 6.782 9.062 -3.725 1.00 61.43 C ATOM 1474 CG LEU A 95 7.085 7.671 -3.178 1.00 20.53 C ATOM 1475 CD1 LEU A 95 5.793 6.956 -2.820 1.00 71.10 C ATOM 1476 CD2 LEU A 95 7.879 6.862 -4.183 1.00 61.24 C ATOM 0 H LEU A 95 8.281 10.167 -2.049 1.00 64.30 H new ATOM 0 HA LEU A 95 8.627 9.379 -4.795 1.00 52.12 H new ATOM 0 HB2 LEU A 95 6.195 9.600 -2.981 1.00 61.43 H new ATOM 0 HB3 LEU A 95 6.152 8.951 -4.608 1.00 61.43 H new ATOM 0 HG LEU A 95 7.687 7.777 -2.276 1.00 20.53 H new ATOM 0 HD11 LEU A 95 6.022 5.964 -2.431 1.00 71.10 H new ATOM 0 HD12 LEU A 95 5.258 7.529 -2.062 1.00 71.10 H new ATOM 0 HD13 LEU A 95 5.171 6.862 -3.710 1.00 71.10 H new ATOM 0 HD21 LEU A 95 8.085 5.873 -3.773 1.00 61.24 H new ATOM 0 HD22 LEU A 95 7.305 6.761 -5.104 1.00 61.24 H new ATOM 0 HD23 LEU A 95 8.820 7.369 -4.396 1.00 61.24 H new ATOM 1488 N ARG A 96 7.321 11.139 -6.058 1.00 41.53 N ATOM 1489 CA ARG A 96 6.774 12.254 -6.799 1.00 33.23 C ATOM 1490 C ARG A 96 5.262 12.138 -6.826 1.00 10.21 C ATOM 1491 O ARG A 96 4.707 11.109 -6.430 1.00 70.32 O ATOM 1492 CB ARG A 96 7.307 12.258 -8.232 1.00 31.54 C ATOM 1493 CG ARG A 96 8.808 12.436 -8.349 1.00 64.44 C ATOM 1494 CD ARG A 96 9.269 12.255 -9.788 1.00 1.12 C ATOM 1495 NE ARG A 96 8.955 10.912 -10.296 1.00 14.24 N ATOM 1496 CZ ARG A 96 8.895 10.586 -11.591 1.00 42.32 C ATOM 1497 NH1 ARG A 96 9.139 11.497 -12.529 1.00 5.22 N ATOM 1498 NH2 ARG A 96 8.591 9.345 -11.948 1.00 24.43 N ATOM 0 H ARG A 96 7.553 10.326 -6.629 1.00 41.53 H new ATOM 0 HA ARG A 96 7.071 13.183 -6.312 1.00 33.23 H new ATOM 0 HB2 ARG A 96 7.028 11.320 -8.712 1.00 31.54 H new ATOM 0 HB3 ARG A 96 6.816 13.058 -8.786 1.00 31.54 H new ATOM 0 HG2 ARG A 96 9.089 13.428 -7.996 1.00 64.44 H new ATOM 0 HG3 ARG A 96 9.314 11.714 -7.708 1.00 64.44 H new ATOM 0 HD2 ARG A 96 8.791 13.004 -10.420 1.00 1.12 H new ATOM 0 HD3 ARG A 96 10.344 12.425 -9.850 1.00 1.12 H new ATOM 0 HE ARG A 96 8.770 10.178 -9.613 1.00 14.24 H new ATOM 0 HH11 ARG A 96 9.374 12.453 -12.262 1.00 5.22 H new ATOM 0 HH12 ARG A 96 9.091 11.239 -13.515 1.00 5.22 H new ATOM 0 HH21 ARG A 96 8.403 8.641 -11.235 1.00 24.43 H new ATOM 0 HH22 ARG A 96 8.545 9.095 -12.936 1.00 24.43 H new ATOM 1512 N THR A 97 4.600 13.177 -7.271 1.00 44.24 N ATOM 1513 CA THR A 97 3.167 13.150 -7.406 1.00 64.25 C ATOM 1514 C THR A 97 2.783 12.181 -8.524 1.00 41.42 C ATOM 1515 O THR A 97 3.030 12.445 -9.704 1.00 22.23 O ATOM 1516 CB THR A 97 2.623 14.556 -7.700 1.00 4.01 C ATOM 1517 OG1 THR A 97 2.980 15.435 -6.619 1.00 60.44 O ATOM 1518 CG2 THR A 97 1.112 14.535 -7.862 1.00 40.20 C ATOM 0 H THR A 97 5.035 14.057 -7.547 1.00 44.24 H new ATOM 0 HA THR A 97 2.726 12.811 -6.469 1.00 64.25 H new ATOM 0 HB THR A 97 3.060 14.911 -8.633 1.00 4.01 H new ATOM 0 HG1 THR A 97 2.411 15.247 -5.843 1.00 60.44 H new ATOM 0 HG21 THR A 97 0.754 15.544 -8.069 1.00 40.20 H new ATOM 0 HG22 THR A 97 0.844 13.878 -8.689 1.00 40.20 H new ATOM 0 HG23 THR A 97 0.653 14.169 -6.944 1.00 40.20 H new ATOM 1526 N GLY A 98 2.218 11.052 -8.141 1.00 31.11 N ATOM 1527 CA GLY A 98 1.869 10.033 -9.096 1.00 14.15 C ATOM 1528 C GLY A 98 2.949 8.975 -9.192 1.00 30.12 C ATOM 1529 O GLY A 98 3.177 8.401 -10.259 1.00 30.51 O ATOM 0 H GLY A 98 1.993 10.823 -7.173 1.00 31.11 H new ATOM 0 HA2 GLY A 98 0.926 9.568 -8.807 1.00 14.15 H new ATOM 0 HA3 GLY A 98 1.714 10.487 -10.075 1.00 14.15 H new ATOM 1533 N GLU A 99 3.624 8.723 -8.077 1.00 70.31 N ATOM 1534 CA GLU A 99 4.699 7.748 -8.040 1.00 13.13 C ATOM 1535 C GLU A 99 4.450 6.702 -6.951 1.00 43.44 C ATOM 1536 O GLU A 99 3.826 6.994 -5.923 1.00 31.50 O ATOM 1537 CB GLU A 99 6.042 8.451 -7.814 1.00 45.55 C ATOM 1538 CG GLU A 99 7.248 7.537 -7.935 1.00 30.53 C ATOM 1539 CD GLU A 99 7.328 6.870 -9.286 1.00 40.13 C ATOM 1540 OE1 GLU A 99 6.683 5.813 -9.474 1.00 2.25 O ATOM 1541 OE2 GLU A 99 8.031 7.396 -10.173 1.00 65.33 O ATOM 0 H GLU A 99 3.443 9.184 -7.185 1.00 70.31 H new ATOM 0 HA GLU A 99 4.730 7.233 -9.000 1.00 13.13 H new ATOM 0 HB2 GLU A 99 6.141 9.263 -8.535 1.00 45.55 H new ATOM 0 HB3 GLU A 99 6.041 8.904 -6.822 1.00 45.55 H new ATOM 0 HG2 GLU A 99 8.157 8.114 -7.763 1.00 30.53 H new ATOM 0 HG3 GLU A 99 7.202 6.774 -7.158 1.00 30.53 H new ATOM 1548 N MET A 100 4.940 5.493 -7.183 1.00 2.13 N ATOM 1549 CA MET A 100 4.755 4.390 -6.253 1.00 55.44 C ATOM 1550 C MET A 100 6.093 3.934 -5.675 1.00 53.05 C ATOM 1551 O MET A 100 7.115 3.927 -6.373 1.00 10.04 O ATOM 1552 CB MET A 100 4.069 3.219 -6.963 1.00 43.14 C ATOM 1553 CG MET A 100 3.779 2.027 -6.063 1.00 33.54 C ATOM 1554 SD MET A 100 3.026 0.648 -6.946 1.00 3.33 S ATOM 1555 CE MET A 100 4.311 0.259 -8.134 1.00 44.42 C ATOM 0 H MET A 100 5.474 5.250 -8.017 1.00 2.13 H new ATOM 0 HA MET A 100 4.126 4.735 -5.433 1.00 55.44 H new ATOM 0 HB2 MET A 100 3.132 3.570 -7.396 1.00 43.14 H new ATOM 0 HB3 MET A 100 4.699 2.891 -7.790 1.00 43.14 H new ATOM 0 HG2 MET A 100 4.708 1.692 -5.601 1.00 33.54 H new ATOM 0 HG3 MET A 100 3.117 2.340 -5.256 1.00 33.54 H new ATOM 0 HE1 MET A 100 4.064 -0.671 -8.646 1.00 44.42 H new ATOM 0 HE2 MET A 100 4.388 1.065 -8.863 1.00 44.42 H new ATOM 0 HE3 MET A 100 5.263 0.146 -7.616 1.00 44.42 H new ATOM 1565 N SER A 101 6.088 3.567 -4.404 1.00 54.34 N ATOM 1566 CA SER A 101 7.287 3.089 -3.739 1.00 51.53 C ATOM 1567 C SER A 101 7.531 1.618 -4.059 1.00 21.12 C ATOM 1568 O SER A 101 8.580 1.247 -4.588 1.00 0.32 O ATOM 1569 CB SER A 101 7.151 3.275 -2.226 1.00 44.04 C ATOM 1570 OG SER A 101 5.957 2.659 -1.745 1.00 51.22 O ATOM 0 H SER A 101 5.260 3.592 -3.809 1.00 54.34 H new ATOM 0 HA SER A 101 8.137 3.668 -4.100 1.00 51.53 H new ATOM 0 HB2 SER A 101 8.016 2.844 -1.723 1.00 44.04 H new ATOM 0 HB3 SER A 101 7.140 4.338 -1.985 1.00 44.04 H new ATOM 0 HG SER A 101 5.995 2.589 -0.768 1.00 51.22 H new ATOM 1576 N GLY A 102 6.553 0.800 -3.742 1.00 4.45 N ATOM 1577 CA GLY A 102 6.664 -0.618 -3.944 1.00 24.31 C ATOM 1578 C GLY A 102 6.328 -1.361 -2.673 1.00 72.11 C ATOM 1579 O GLY A 102 5.524 -0.879 -1.878 1.00 40.31 O ATOM 0 H GLY A 102 5.665 1.101 -3.340 1.00 4.45 H new ATOM 0 HA2 GLY A 102 5.993 -0.931 -4.744 1.00 24.31 H new ATOM 0 HA3 GLY A 102 7.676 -0.868 -4.262 1.00 24.31 H new ATOM 1583 N PRO A 103 6.930 -2.532 -2.442 1.00 34.14 N ATOM 1584 CA PRO A 103 6.678 -3.313 -1.244 1.00 61.51 C ATOM 1585 C PRO A 103 7.477 -2.808 -0.036 1.00 14.25 C ATOM 1586 O PRO A 103 8.683 -3.045 0.073 1.00 2.34 O ATOM 1587 CB PRO A 103 7.126 -4.720 -1.638 1.00 43.15 C ATOM 1588 CG PRO A 103 8.189 -4.512 -2.670 1.00 74.34 C ATOM 1589 CD PRO A 103 7.900 -3.188 -3.341 1.00 0.33 C ATOM 0 HA PRO A 103 5.635 -3.256 -0.932 1.00 61.51 H new ATOM 0 HB2 PRO A 103 7.512 -5.267 -0.778 1.00 43.15 H new ATOM 0 HB3 PRO A 103 6.295 -5.301 -2.038 1.00 43.15 H new ATOM 0 HG2 PRO A 103 9.177 -4.504 -2.210 1.00 74.34 H new ATOM 0 HG3 PRO A 103 8.183 -5.323 -3.398 1.00 74.34 H new ATOM 0 HD2 PRO A 103 8.806 -2.592 -3.453 1.00 0.33 H new ATOM 0 HD3 PRO A 103 7.486 -3.329 -4.339 1.00 0.33 H new ATOM 1597 N VAL A 104 6.809 -2.085 0.843 1.00 1.23 N ATOM 1598 CA VAL A 104 7.433 -1.581 2.054 1.00 64.51 C ATOM 1599 C VAL A 104 7.020 -2.443 3.245 1.00 13.35 C ATOM 1600 O VAL A 104 5.828 -2.593 3.530 1.00 34.44 O ATOM 1601 CB VAL A 104 7.047 -0.103 2.323 1.00 10.21 C ATOM 1602 CG1 VAL A 104 7.745 0.423 3.571 1.00 2.14 C ATOM 1603 CG2 VAL A 104 7.382 0.765 1.117 1.00 54.50 C ATOM 0 H VAL A 104 5.826 -1.831 0.740 1.00 1.23 H new ATOM 0 HA VAL A 104 8.513 -1.628 1.918 1.00 64.51 H new ATOM 0 HB VAL A 104 5.971 -0.059 2.493 1.00 10.21 H new ATOM 0 HG11 VAL A 104 7.458 1.461 3.738 1.00 2.14 H new ATOM 0 HG12 VAL A 104 7.452 -0.178 4.432 1.00 2.14 H new ATOM 0 HG13 VAL A 104 8.825 0.362 3.437 1.00 2.14 H new ATOM 0 HG21 VAL A 104 7.104 1.798 1.324 1.00 54.50 H new ATOM 0 HG22 VAL A 104 8.452 0.710 0.915 1.00 54.50 H new ATOM 0 HG23 VAL A 104 6.830 0.408 0.247 1.00 54.50 H new ATOM 1613 N PHE A 105 7.990 -3.014 3.923 1.00 54.21 N ATOM 1614 CA PHE A 105 7.717 -3.886 5.050 1.00 44.20 C ATOM 1615 C PHE A 105 7.887 -3.142 6.369 1.00 34.43 C ATOM 1616 O PHE A 105 8.996 -2.759 6.739 1.00 70.23 O ATOM 1617 CB PHE A 105 8.652 -5.103 5.021 1.00 72.14 C ATOM 1618 CG PHE A 105 8.581 -5.904 3.749 1.00 61.40 C ATOM 1619 CD1 PHE A 105 9.411 -5.607 2.677 1.00 53.01 C ATOM 1620 CD2 PHE A 105 7.688 -6.955 3.625 1.00 74.03 C ATOM 1621 CE1 PHE A 105 9.352 -6.342 1.510 1.00 62.42 C ATOM 1622 CE2 PHE A 105 7.623 -7.693 2.459 1.00 12.11 C ATOM 1623 CZ PHE A 105 8.457 -7.387 1.400 1.00 63.13 C ATOM 0 H PHE A 105 8.981 -2.891 3.714 1.00 54.21 H new ATOM 0 HA PHE A 105 6.683 -4.223 4.971 1.00 44.20 H new ATOM 0 HB2 PHE A 105 9.677 -4.763 5.167 1.00 72.14 H new ATOM 0 HB3 PHE A 105 8.410 -5.754 5.861 1.00 72.14 H new ATOM 0 HD1 PHE A 105 10.113 -4.790 2.757 1.00 53.01 H new ATOM 0 HD2 PHE A 105 7.035 -7.201 4.449 1.00 74.03 H new ATOM 0 HE1 PHE A 105 10.005 -6.100 0.685 1.00 62.42 H new ATOM 0 HE2 PHE A 105 6.921 -8.509 2.375 1.00 12.11 H new ATOM 0 HZ PHE A 105 8.408 -7.964 0.489 1.00 63.13 H new ATOM 1633 N THR A 106 6.786 -2.927 7.065 1.00 14.15 N ATOM 1634 CA THR A 106 6.817 -2.273 8.365 1.00 52.24 C ATOM 1635 C THR A 106 6.281 -3.207 9.443 1.00 53.33 C ATOM 1636 O THR A 106 6.525 -3.012 10.637 1.00 14.32 O ATOM 1637 CB THR A 106 5.979 -0.976 8.356 1.00 22.34 C ATOM 1638 OG1 THR A 106 4.666 -1.247 7.844 1.00 30.23 O ATOM 1639 CG2 THR A 106 6.644 0.095 7.503 1.00 64.00 C ATOM 0 H THR A 106 5.853 -3.196 6.752 1.00 14.15 H new ATOM 0 HA THR A 106 7.855 -2.021 8.582 1.00 52.24 H new ATOM 0 HB THR A 106 5.906 -0.611 9.380 1.00 22.34 H new ATOM 0 HG1 THR A 106 4.190 -1.840 8.462 1.00 30.23 H new ATOM 0 HG21 THR A 106 6.034 0.998 7.513 1.00 64.00 H new ATOM 0 HG22 THR A 106 7.632 0.319 7.906 1.00 64.00 H new ATOM 0 HG23 THR A 106 6.743 -0.265 6.479 1.00 64.00 H new ATOM 1647 N ASP A 107 5.565 -4.228 9.007 1.00 62.25 N ATOM 1648 CA ASP A 107 4.944 -5.187 9.899 1.00 24.14 C ATOM 1649 C ASP A 107 4.615 -6.456 9.130 1.00 42.04 C ATOM 1650 O ASP A 107 5.204 -6.710 8.077 1.00 51.33 O ATOM 1651 CB ASP A 107 3.672 -4.589 10.530 1.00 74.43 C ATOM 1652 CG ASP A 107 2.679 -4.102 9.499 1.00 35.33 C ATOM 1653 OD1 ASP A 107 2.761 -2.921 9.107 1.00 2.33 O ATOM 1654 OD2 ASP A 107 1.812 -4.891 9.080 1.00 4.31 O ATOM 0 H ASP A 107 5.398 -4.415 8.018 1.00 62.25 H new ATOM 0 HA ASP A 107 5.638 -5.430 10.704 1.00 24.14 H new ATOM 0 HB2 ASP A 107 3.196 -5.341 11.159 1.00 74.43 H new ATOM 0 HB3 ASP A 107 3.950 -3.759 11.180 1.00 74.43 H new ATOM 1659 N SER A 108 3.679 -7.244 9.648 1.00 14.13 N ATOM 1660 CA SER A 108 3.285 -8.502 9.023 1.00 14.53 C ATOM 1661 C SER A 108 2.627 -8.290 7.652 1.00 50.10 C ATOM 1662 O SER A 108 2.471 -9.236 6.872 1.00 71.14 O ATOM 1663 CB SER A 108 2.343 -9.259 9.944 1.00 34.41 C ATOM 1664 OG SER A 108 2.975 -9.549 11.183 1.00 75.12 O ATOM 0 H SER A 108 3.174 -7.031 10.508 1.00 14.13 H new ATOM 0 HA SER A 108 4.190 -9.086 8.858 1.00 14.53 H new ATOM 0 HB2 SER A 108 1.444 -8.667 10.119 1.00 34.41 H new ATOM 0 HB3 SER A 108 2.027 -10.186 9.466 1.00 34.41 H new ATOM 0 HG SER A 108 3.671 -10.225 11.045 1.00 75.12 H new ATOM 1670 N GLY A 109 2.232 -7.065 7.369 1.00 1.42 N ATOM 1671 CA GLY A 109 1.641 -6.771 6.096 1.00 61.13 C ATOM 1672 C GLY A 109 2.547 -5.936 5.231 1.00 13.33 C ATOM 1673 O GLY A 109 3.318 -5.112 5.733 1.00 22.23 O ATOM 0 H GLY A 109 2.312 -6.269 8.002 1.00 1.42 H new ATOM 0 HA2 GLY A 109 1.407 -7.703 5.581 1.00 61.13 H new ATOM 0 HA3 GLY A 109 0.698 -6.245 6.247 1.00 61.13 H new ATOM 1677 N ILE A 110 2.479 -6.162 3.937 1.00 44.01 N ATOM 1678 CA ILE A 110 3.252 -5.394 2.987 1.00 11.32 C ATOM 1679 C ILE A 110 2.513 -4.107 2.673 1.00 2.34 C ATOM 1680 O ILE A 110 1.310 -4.126 2.414 1.00 22.21 O ATOM 1681 CB ILE A 110 3.491 -6.180 1.678 1.00 33.15 C ATOM 1682 CG1 ILE A 110 4.113 -7.547 1.982 1.00 73.42 C ATOM 1683 CG2 ILE A 110 4.384 -5.382 0.736 1.00 20.21 C ATOM 1684 CD1 ILE A 110 4.336 -8.406 0.756 1.00 12.13 C ATOM 0 H ILE A 110 1.889 -6.880 3.516 1.00 44.01 H new ATOM 0 HA ILE A 110 4.224 -5.180 3.432 1.00 11.32 H new ATOM 0 HB ILE A 110 2.531 -6.341 1.188 1.00 33.15 H new ATOM 0 HG12 ILE A 110 5.067 -7.397 2.487 1.00 73.42 H new ATOM 0 HG13 ILE A 110 3.466 -8.083 2.676 1.00 73.42 H new ATOM 0 HG21 ILE A 110 4.543 -5.949 -0.181 1.00 20.21 H new ATOM 0 HG22 ILE A 110 3.905 -4.432 0.498 1.00 20.21 H new ATOM 0 HG23 ILE A 110 5.344 -5.193 1.217 1.00 20.21 H new ATOM 0 HD11 ILE A 110 4.779 -9.357 1.053 1.00 12.13 H new ATOM 0 HD12 ILE A 110 3.382 -8.589 0.261 1.00 12.13 H new ATOM 0 HD13 ILE A 110 5.008 -7.892 0.069 1.00 12.13 H new ATOM 1696 N HIS A 111 3.221 -2.998 2.721 1.00 21.43 N ATOM 1697 CA HIS A 111 2.623 -1.701 2.473 1.00 40.34 C ATOM 1698 C HIS A 111 3.090 -1.138 1.152 1.00 34.41 C ATOM 1699 O HIS A 111 4.285 -0.988 0.927 1.00 62.25 O ATOM 1700 CB HIS A 111 2.989 -0.713 3.591 1.00 14.03 C ATOM 1701 CG HIS A 111 2.451 -1.074 4.939 1.00 33.31 C ATOM 1702 ND1 HIS A 111 1.668 -0.229 5.683 1.00 14.55 N ATOM 1703 CD2 HIS A 111 2.603 -2.189 5.684 1.00 24.11 C ATOM 1704 CE1 HIS A 111 1.364 -0.807 6.825 1.00 71.42 C ATOM 1705 NE2 HIS A 111 1.917 -1.997 6.850 1.00 43.53 N ATOM 0 H HIS A 111 4.219 -2.968 2.931 1.00 21.43 H new ATOM 0 HA HIS A 111 1.542 -1.838 2.446 1.00 40.34 H new ATOM 0 HB2 HIS A 111 4.075 -0.642 3.654 1.00 14.03 H new ATOM 0 HB3 HIS A 111 2.620 0.276 3.320 1.00 14.03 H new ATOM 0 HD2 HIS A 111 3.163 -3.070 5.409 1.00 24.11 H new ATOM 0 HE1 HIS A 111 0.761 -0.375 7.610 1.00 71.42 H new ATOM 0 HE2 HIS A 111 1.846 -2.668 7.615 1.00 43.53 H new ATOM 1714 N ILE A 112 2.158 -0.841 0.281 1.00 72.31 N ATOM 1715 CA ILE A 112 2.486 -0.210 -0.982 1.00 43.22 C ATOM 1716 C ILE A 112 2.049 1.235 -0.929 1.00 43.31 C ATOM 1717 O ILE A 112 0.886 1.527 -0.644 1.00 34.41 O ATOM 1718 CB ILE A 112 1.795 -0.895 -2.171 1.00 44.43 C ATOM 1719 CG1 ILE A 112 2.046 -2.406 -2.144 1.00 5.13 C ATOM 1720 CG2 ILE A 112 2.284 -0.292 -3.486 1.00 32.23 C ATOM 1721 CD1 ILE A 112 1.381 -3.155 -3.279 1.00 64.24 C ATOM 0 H ILE A 112 1.164 -1.024 0.419 1.00 72.31 H new ATOM 0 HA ILE A 112 3.563 -0.294 -1.130 1.00 43.22 H new ATOM 0 HB ILE A 112 0.721 -0.728 -2.091 1.00 44.43 H new ATOM 0 HG12 ILE A 112 3.120 -2.587 -2.181 1.00 5.13 H new ATOM 0 HG13 ILE A 112 1.687 -2.808 -1.196 1.00 5.13 H new ATOM 0 HG21 ILE A 112 1.786 -0.786 -4.320 1.00 32.23 H new ATOM 0 HG22 ILE A 112 2.054 0.773 -3.506 1.00 32.23 H new ATOM 0 HG23 ILE A 112 3.362 -0.432 -3.572 1.00 32.23 H new ATOM 0 HD11 ILE A 112 1.604 -4.219 -3.193 1.00 64.24 H new ATOM 0 HD12 ILE A 112 0.302 -3.005 -3.231 1.00 64.24 H new ATOM 0 HD13 ILE A 112 1.757 -2.781 -4.231 1.00 64.24 H new ATOM 1733 N ILE A 113 2.974 2.131 -1.181 1.00 55.11 N ATOM 1734 CA ILE A 113 2.700 3.547 -1.097 1.00 53.35 C ATOM 1735 C ILE A 113 2.593 4.163 -2.484 1.00 54.41 C ATOM 1736 O ILE A 113 3.525 4.071 -3.292 1.00 41.04 O ATOM 1737 CB ILE A 113 3.820 4.268 -0.324 1.00 4.45 C ATOM 1738 CG1 ILE A 113 4.068 3.580 1.022 1.00 30.31 C ATOM 1739 CG2 ILE A 113 3.477 5.741 -0.124 1.00 23.51 C ATOM 1740 CD1 ILE A 113 5.275 4.110 1.765 1.00 51.21 C ATOM 0 H ILE A 113 3.931 1.902 -1.448 1.00 55.11 H new ATOM 0 HA ILE A 113 1.752 3.667 -0.573 1.00 53.35 H new ATOM 0 HB ILE A 113 4.736 4.212 -0.913 1.00 4.45 H new ATOM 0 HG12 ILE A 113 3.185 3.701 1.649 1.00 30.31 H new ATOM 0 HG13 ILE A 113 4.197 2.511 0.855 1.00 30.31 H new ATOM 0 HG21 ILE A 113 4.282 6.231 0.424 1.00 23.51 H new ATOM 0 HG22 ILE A 113 3.355 6.221 -1.095 1.00 23.51 H new ATOM 0 HG23 ILE A 113 2.549 5.825 0.442 1.00 23.51 H new ATOM 0 HD11 ILE A 113 5.386 3.575 2.708 1.00 51.21 H new ATOM 0 HD12 ILE A 113 6.169 3.965 1.158 1.00 51.21 H new ATOM 0 HD13 ILE A 113 5.141 5.173 1.965 1.00 51.21 H new ATOM 1752 N LEU A 114 1.462 4.771 -2.762 1.00 14.11 N ATOM 1753 CA LEU A 114 1.255 5.459 -4.018 1.00 23.44 C ATOM 1754 C LEU A 114 0.862 6.900 -3.756 1.00 5.30 C ATOM 1755 O LEU A 114 -0.277 7.180 -3.383 1.00 63.23 O ATOM 1756 CB LEU A 114 0.174 4.765 -4.857 1.00 71.02 C ATOM 1757 CG LEU A 114 -0.175 5.452 -6.187 1.00 31.12 C ATOM 1758 CD1 LEU A 114 1.004 5.420 -7.143 1.00 22.43 C ATOM 1759 CD2 LEU A 114 -1.390 4.803 -6.821 1.00 41.54 C ATOM 0 H LEU A 114 0.663 4.803 -2.128 1.00 14.11 H new ATOM 0 HA LEU A 114 2.189 5.433 -4.580 1.00 23.44 H new ATOM 0 HB2 LEU A 114 0.501 3.747 -5.069 1.00 71.02 H new ATOM 0 HB3 LEU A 114 -0.734 4.690 -4.258 1.00 71.02 H new ATOM 0 HG LEU A 114 -0.411 6.495 -5.975 1.00 31.12 H new ATOM 0 HD11 LEU A 114 0.730 5.913 -8.076 1.00 22.43 H new ATOM 0 HD12 LEU A 114 1.851 5.939 -6.694 1.00 22.43 H new ATOM 0 HD13 LEU A 114 1.279 4.385 -7.347 1.00 22.43 H new ATOM 0 HD21 LEU A 114 -1.621 5.304 -7.761 1.00 41.54 H new ATOM 0 HD22 LEU A 114 -1.182 3.750 -7.012 1.00 41.54 H new ATOM 0 HD23 LEU A 114 -2.242 4.888 -6.146 1.00 41.54 H new ATOM 1771 N ARG A 115 1.802 7.805 -3.925 1.00 3.54 N ATOM 1772 CA ARG A 115 1.533 9.214 -3.706 1.00 42.42 C ATOM 1773 C ARG A 115 0.725 9.771 -4.861 1.00 23.32 C ATOM 1774 O ARG A 115 1.213 9.853 -5.983 1.00 41.42 O ATOM 1775 CB ARG A 115 2.832 10.003 -3.541 1.00 30.21 C ATOM 1776 CG ARG A 115 2.615 11.503 -3.400 1.00 20.22 C ATOM 1777 CD ARG A 115 3.923 12.242 -3.219 1.00 34.21 C ATOM 1778 NE ARG A 115 3.741 13.692 -3.267 1.00 32.15 N ATOM 1779 CZ ARG A 115 4.680 14.577 -2.942 1.00 61.31 C ATOM 1780 NH1 ARG A 115 5.852 14.165 -2.465 1.00 2.35 N ATOM 1781 NH2 ARG A 115 4.442 15.876 -3.083 1.00 75.45 N ATOM 0 H ARG A 115 2.757 7.593 -4.213 1.00 3.54 H new ATOM 0 HA ARG A 115 0.959 9.314 -2.785 1.00 42.42 H new ATOM 0 HB2 ARG A 115 3.362 9.636 -2.662 1.00 30.21 H new ATOM 0 HB3 ARG A 115 3.474 9.816 -4.402 1.00 30.21 H new ATOM 0 HG2 ARG A 115 2.102 11.881 -4.284 1.00 20.22 H new ATOM 0 HG3 ARG A 115 1.965 11.698 -2.547 1.00 20.22 H new ATOM 0 HD2 ARG A 115 4.368 11.963 -2.264 1.00 34.21 H new ATOM 0 HD3 ARG A 115 4.623 11.938 -3.998 1.00 34.21 H new ATOM 0 HE ARG A 115 2.835 14.049 -3.570 1.00 32.15 H new ATOM 0 HH11 ARG A 115 6.033 13.168 -2.348 1.00 2.35 H new ATOM 0 HH12 ARG A 115 6.570 14.846 -2.217 1.00 2.35 H new ATOM 0 HH21 ARG A 115 3.541 16.194 -3.440 1.00 75.45 H new ATOM 0 HH22 ARG A 115 5.160 16.556 -2.834 1.00 75.45 H new ATOM 1795 N THR A 116 -0.503 10.140 -4.587 1.00 51.14 N ATOM 1796 CA THR A 116 -1.382 10.666 -5.606 1.00 74.11 C ATOM 1797 C THR A 116 -1.251 12.185 -5.726 1.00 25.11 C ATOM 1798 O THR A 116 -1.398 12.746 -6.817 1.00 73.22 O ATOM 1799 CB THR A 116 -2.837 10.279 -5.316 1.00 3.11 C ATOM 1800 OG1 THR A 116 -3.068 10.334 -3.905 1.00 14.13 O ATOM 1801 CG2 THR A 116 -3.132 8.874 -5.821 1.00 21.52 C ATOM 0 H THR A 116 -0.920 10.085 -3.658 1.00 51.14 H new ATOM 0 HA THR A 116 -1.085 10.226 -6.558 1.00 74.11 H new ATOM 0 HB THR A 116 -3.494 10.979 -5.831 1.00 3.11 H new ATOM 0 HG1 THR A 116 -3.941 9.939 -3.701 1.00 14.13 H new ATOM 0 HG21 THR A 116 -4.170 8.620 -5.605 1.00 21.52 H new ATOM 0 HG22 THR A 116 -2.965 8.832 -6.897 1.00 21.52 H new ATOM 0 HG23 THR A 116 -2.473 8.163 -5.323 1.00 21.52 H new ATOM 1809 N GLU A 117 -0.961 12.842 -4.608 1.00 31.21 N ATOM 1810 CA GLU A 117 -0.783 14.287 -4.586 1.00 42.31 C ATOM 1811 C GLU A 117 0.451 14.657 -3.771 1.00 14.15 C ATOM 1812 O GLU A 117 0.359 14.679 -2.526 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.024 14.992 -4.019 1.00 74.23 C ATOM 1814 CG GLU A 117 -3.279 14.823 -4.862 1.00 22.02 C ATOM 1815 CD GLU A 117 -4.514 15.393 -4.198 1.00 24.20 C ATOM 1816 OE1 GLU A 117 -4.440 16.494 -3.616 1.00 41.33 O ATOM 1817 OE2 GLU A 117 -5.568 14.734 -4.239 1.00 24.44 O ATOM 1818 OXT GLU A 117 1.512 14.927 -4.384 1.00 0.00 O ATOM 0 H GLU A 117 -0.844 12.392 -3.700 1.00 31.21 H new ATOM 0 HA GLU A 117 -0.643 14.623 -5.613 1.00 42.31 H new ATOM 0 HB2 GLU A 117 -2.219 14.609 -3.017 1.00 74.23 H new ATOM 0 HB3 GLU A 117 -1.809 16.056 -3.918 1.00 74.23 H new ATOM 0 HG2 GLU A 117 -3.132 15.311 -5.825 1.00 22.02 H new ATOM 0 HG3 GLU A 117 -3.436 13.763 -5.062 1.00 22.02 H new