USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot -88:sc= 0.953 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.838 USER MOD Set 2.1: A 67 THR OG1 : rot -111:sc= 1.32 USER MOD Set 2.2: A 73 GLN : amide:sc= -1.52 X(o=-0.2,f=0.2) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0569 (180deg=-0.232) USER MOD Single : A 17 TYR OH : rot -112:sc= -0.919 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.0624 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= -0.763! (180deg=-3.02!) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.19) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 1.32 (180deg=0.943) USER MOD Single : A 41 GLN : amide:sc=-0.00192 K(o=-0.0019,f=-0.88) USER MOD Single : A 43 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.0024) USER MOD Single : A 44 THR OG1 : rot -83:sc= 0.00603! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.412 K(o=-0.41,f=-3.6!) USER MOD Single : A 49 GLN : amide:sc= -0.0553 K(o=-0.055,f=-4!) USER MOD Single : A 52 GLN : amide:sc= -0.0385 K(o=-0.039,f=-5.1!) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.536) USER MOD Single : A 65 THR OG1 : rot -31:sc= -1.12 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= -0.0379 (180deg=-0.363) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 43:sc= 1.25 USER MOD Single : A 86 TYR OH : rot 0:sc= 0.909 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -19:sc= -1.22! USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 2.175 5.980 -8.795 1.00 0.00 N ATOM 65 CA TYR A 6 2.437 4.617 -8.669 1.00 0.00 C ATOM 66 C TYR A 6 3.538 4.323 -9.638 1.00 0.00 C ATOM 67 O TYR A 6 3.677 5.008 -10.647 1.00 0.00 O ATOM 68 CB TYR A 6 1.184 3.751 -8.981 1.00 0.00 C ATOM 69 CG TYR A 6 0.594 3.874 -10.388 1.00 0.00 C ATOM 70 CD1 TYR A 6 1.064 3.089 -11.435 1.00 0.00 C ATOM 71 CD2 TYR A 6 -0.445 4.754 -10.653 1.00 0.00 C ATOM 72 CE1 TYR A 6 0.525 3.185 -12.700 1.00 0.00 C ATOM 73 CE2 TYR A 6 -0.995 4.854 -11.920 1.00 0.00 C ATOM 74 CZ TYR A 6 -0.504 4.069 -12.938 1.00 0.00 C ATOM 75 OH TYR A 6 -1.042 4.171 -14.206 1.00 0.00 O ATOM 0 HA TYR A 6 2.718 4.372 -7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.442 2.706 -8.811 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.406 4.008 -8.262 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.867 2.390 -11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.832 5.372 -9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.908 2.570 -13.501 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.804 5.544 -12.108 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.759 4.839 -14.204 1.00 0.00 H new ATOM 85 N LEU A 7 4.330 3.395 -9.313 1.00 0.00 N ATOM 86 CA LEU A 7 5.377 2.951 -10.180 1.00 0.00 C ATOM 87 C LEU A 7 4.850 1.768 -10.978 1.00 0.00 C ATOM 88 O LEU A 7 3.737 1.294 -10.720 1.00 0.00 O ATOM 89 CB LEU A 7 6.624 2.578 -9.372 1.00 0.00 C ATOM 90 CG LEU A 7 7.224 3.706 -8.508 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.413 3.207 -7.707 1.00 0.00 C ATOM 92 CD2 LEU A 7 7.622 4.906 -9.365 1.00 0.00 C ATOM 0 H LEU A 7 4.286 2.899 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 7 5.674 3.747 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.375 1.740 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.391 2.228 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 7 6.453 4.029 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.816 4.023 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.095 2.397 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.183 2.842 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.042 5.685 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.366 4.598 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.743 5.293 -9.880 1.00 0.00 H new ATOM 104 N THR A 8 5.620 1.285 -11.899 1.00 0.00 N ATOM 105 CA THR A 8 5.183 0.247 -12.790 1.00 0.00 C ATOM 106 C THR A 8 6.246 -0.831 -12.886 1.00 0.00 C ATOM 107 O THR A 8 7.408 -0.597 -12.512 1.00 0.00 O ATOM 108 CB THR A 8 4.872 0.832 -14.192 1.00 0.00 C ATOM 109 OG1 THR A 8 5.924 1.733 -14.594 1.00 0.00 O ATOM 110 CG2 THR A 8 3.541 1.572 -14.200 1.00 0.00 C ATOM 0 H THR A 8 6.577 1.599 -12.059 1.00 0.00 H new ATOM 0 HA THR A 8 4.268 -0.196 -12.396 1.00 0.00 H new ATOM 0 HB THR A 8 4.809 0.001 -14.895 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.722 2.097 -15.481 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.352 1.970 -15.197 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.741 0.884 -13.926 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.576 2.392 -13.483 1.00 0.00 H new ATOM 118 N VAL A 9 5.861 -2.009 -13.340 1.00 0.00 N ATOM 119 CA VAL A 9 6.803 -3.101 -13.482 1.00 0.00 C ATOM 120 C VAL A 9 7.783 -2.857 -14.591 1.00 0.00 C ATOM 121 O VAL A 9 7.479 -2.178 -15.587 1.00 0.00 O ATOM 122 CB VAL A 9 6.141 -4.475 -13.695 1.00 0.00 C ATOM 123 CG1 VAL A 9 5.362 -4.866 -12.489 1.00 0.00 C ATOM 124 CG2 VAL A 9 5.271 -4.495 -14.938 1.00 0.00 C ATOM 0 H VAL A 9 4.905 -2.233 -13.616 1.00 0.00 H new ATOM 0 HA VAL A 9 7.326 -3.130 -12.526 1.00 0.00 H new ATOM 0 HB VAL A 9 6.934 -5.207 -13.849 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.900 -5.839 -12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.028 -4.922 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.587 -4.123 -12.300 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.822 -5.482 -15.052 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.484 -3.747 -14.843 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.881 -4.270 -15.813 1.00 0.00 H new ATOM 134 N GLY A 10 8.943 -3.388 -14.407 1.00 0.00 N ATOM 135 CA GLY A 10 9.967 -3.284 -15.411 1.00 0.00 C ATOM 136 C GLY A 10 11.013 -2.238 -15.106 1.00 0.00 C ATOM 137 O GLY A 10 12.023 -2.138 -15.814 1.00 0.00 O ATOM 0 H GLY A 10 9.215 -3.903 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.455 -4.252 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.502 -3.051 -16.369 1.00 0.00 H new ATOM 141 N THR A 11 10.807 -1.450 -14.082 1.00 0.00 N ATOM 142 CA THR A 11 11.790 -0.465 -13.753 1.00 0.00 C ATOM 143 C THR A 11 12.603 -0.949 -12.552 1.00 0.00 C ATOM 144 O THR A 11 12.183 -1.879 -11.838 1.00 0.00 O ATOM 145 CB THR A 11 11.185 0.954 -13.529 1.00 0.00 C ATOM 146 OG1 THR A 11 12.233 1.926 -13.434 1.00 0.00 O ATOM 147 CG2 THR A 11 10.357 1.007 -12.271 1.00 0.00 C ATOM 0 H THR A 11 9.986 -1.473 -13.477 1.00 0.00 H new ATOM 0 HA THR A 11 12.455 -0.349 -14.608 1.00 0.00 H new ATOM 0 HB THR A 11 10.543 1.175 -14.382 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.844 2.814 -13.295 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.950 2.010 -12.145 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.539 0.290 -12.343 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.982 0.759 -11.413 1.00 0.00 H new ATOM 155 N ASP A 12 13.719 -0.330 -12.326 1.00 0.00 N ATOM 156 CA ASP A 12 14.660 -0.778 -11.325 1.00 0.00 C ATOM 157 C ASP A 12 14.795 0.287 -10.278 1.00 0.00 C ATOM 158 O ASP A 12 15.027 1.457 -10.600 1.00 0.00 O ATOM 159 CB ASP A 12 16.015 -1.069 -11.973 1.00 0.00 C ATOM 160 CG ASP A 12 16.995 -1.757 -11.049 1.00 0.00 C ATOM 161 OD1 ASP A 12 17.768 -1.067 -10.352 1.00 0.00 O ATOM 162 OD2 ASP A 12 17.046 -3.021 -11.069 1.00 0.00 O ATOM 0 H ASP A 12 14.013 0.507 -12.830 1.00 0.00 H new ATOM 0 HA ASP A 12 14.301 -1.697 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.860 -1.692 -12.854 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.451 -0.132 -12.319 1.00 0.00 H new ATOM 167 N VAL A 13 14.642 -0.089 -9.047 1.00 0.00 N ATOM 168 CA VAL A 13 14.662 0.850 -7.961 1.00 0.00 C ATOM 169 C VAL A 13 15.624 0.402 -6.899 1.00 0.00 C ATOM 170 O VAL A 13 16.196 -0.687 -6.958 1.00 0.00 O ATOM 171 CB VAL A 13 13.260 1.012 -7.287 1.00 0.00 C ATOM 172 CG1 VAL A 13 12.222 1.497 -8.257 1.00 0.00 C ATOM 173 CG2 VAL A 13 12.801 -0.276 -6.638 1.00 0.00 C ATOM 0 H VAL A 13 14.499 -1.058 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 13 14.965 1.805 -8.391 1.00 0.00 H new ATOM 0 HB VAL A 13 13.378 1.768 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.264 1.595 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.521 2.466 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.126 0.782 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.823 -0.125 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.731 -1.059 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.518 -0.573 -5.873 1.00 0.00 H new ATOM 183 N SER A 14 15.805 1.231 -5.947 1.00 0.00 N ATOM 184 CA SER A 14 16.558 0.888 -4.808 1.00 0.00 C ATOM 185 C SER A 14 15.571 0.778 -3.639 1.00 0.00 C ATOM 186 O SER A 14 14.819 1.718 -3.367 1.00 0.00 O ATOM 187 CB SER A 14 17.604 1.962 -4.565 1.00 0.00 C ATOM 188 OG SER A 14 18.327 2.234 -5.769 1.00 0.00 O ATOM 0 H SER A 14 15.430 2.179 -5.936 1.00 0.00 H new ATOM 0 HA SER A 14 17.085 -0.058 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 14 17.123 2.873 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.293 1.638 -3.785 1.00 0.00 H new ATOM 0 HG SER A 14 18.997 2.929 -5.599 1.00 0.00 H new ATOM 194 N ALA A 15 15.523 -0.360 -3.016 1.00 0.00 N ATOM 195 CA ALA A 15 14.617 -0.599 -1.911 1.00 0.00 C ATOM 196 C ALA A 15 15.422 -0.639 -0.627 1.00 0.00 C ATOM 197 O ALA A 15 16.572 -1.081 -0.637 1.00 0.00 O ATOM 198 CB ALA A 15 13.878 -1.911 -2.130 1.00 0.00 C ATOM 0 H ALA A 15 16.110 -1.159 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 15 13.877 0.199 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.197 -2.088 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.310 -1.858 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.597 -2.728 -2.191 1.00 0.00 H new ATOM 204 N LYS A 16 14.864 -0.144 0.451 1.00 0.00 N ATOM 205 CA LYS A 16 15.596 -0.106 1.713 1.00 0.00 C ATOM 206 C LYS A 16 15.247 -1.307 2.585 1.00 0.00 C ATOM 207 O LYS A 16 14.073 -1.575 2.848 1.00 0.00 O ATOM 208 CB LYS A 16 15.300 1.186 2.476 1.00 0.00 C ATOM 209 CG LYS A 16 16.269 1.484 3.615 1.00 0.00 C ATOM 210 CD LYS A 16 15.924 2.785 4.354 1.00 0.00 C ATOM 211 CE LYS A 16 15.029 2.577 5.593 1.00 0.00 C ATOM 212 NZ LYS A 16 13.687 2.018 5.295 1.00 0.00 N ATOM 0 H LYS A 16 13.918 0.236 0.490 1.00 0.00 H new ATOM 0 HA LYS A 16 16.659 -0.142 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.317 2.020 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.289 1.131 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.260 0.655 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.282 1.553 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.849 3.273 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.421 3.462 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.540 1.910 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.906 3.533 6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.093 2.067 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.244 2.568 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.782 1.026 4.997 1.00 0.00 H new ATOM 226 N TYR A 17 16.261 -2.012 3.018 1.00 0.00 N ATOM 227 CA TYR A 17 16.121 -3.150 3.901 1.00 0.00 C ATOM 228 C TYR A 17 17.109 -2.977 5.018 1.00 0.00 C ATOM 229 O TYR A 17 18.302 -2.814 4.755 1.00 0.00 O ATOM 230 CB TYR A 17 16.452 -4.455 3.181 1.00 0.00 C ATOM 231 CG TYR A 17 15.653 -4.704 1.946 1.00 0.00 C ATOM 232 CD1 TYR A 17 14.410 -5.301 2.007 1.00 0.00 C ATOM 233 CD2 TYR A 17 16.149 -4.336 0.714 1.00 0.00 C ATOM 234 CE1 TYR A 17 13.684 -5.525 0.867 1.00 0.00 C ATOM 235 CE2 TYR A 17 15.436 -4.554 -0.427 1.00 0.00 C ATOM 236 CZ TYR A 17 14.201 -5.150 -0.350 1.00 0.00 C ATOM 237 OH TYR A 17 13.489 -5.383 -1.494 1.00 0.00 O ATOM 0 H TYR A 17 17.228 -1.810 2.764 1.00 0.00 H new ATOM 0 HA TYR A 17 15.092 -3.200 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.510 -4.451 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.297 -5.284 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 17 14.005 -5.595 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.120 -3.867 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.712 -5.993 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.839 -4.260 -1.385 1.00 0.00 H new ATOM 0 HH TYR A 17 13.944 -6.067 -2.029 1.00 0.00 H new ATOM 247 N ARG A 18 16.626 -2.954 6.252 1.00 0.00 N ATOM 248 CA ARG A 18 17.477 -2.796 7.444 1.00 0.00 C ATOM 249 C ARG A 18 18.267 -1.484 7.412 1.00 0.00 C ATOM 250 O ARG A 18 19.324 -1.363 8.023 1.00 0.00 O ATOM 251 CB ARG A 18 18.428 -3.999 7.651 1.00 0.00 C ATOM 252 CG ARG A 18 17.789 -5.237 8.277 1.00 0.00 C ATOM 253 CD ARG A 18 16.750 -5.910 7.398 1.00 0.00 C ATOM 254 NE ARG A 18 16.087 -6.996 8.126 1.00 0.00 N ATOM 255 CZ ARG A 18 15.382 -7.993 7.590 1.00 0.00 C ATOM 256 NH1 ARG A 18 15.253 -8.110 6.280 1.00 0.00 N ATOM 257 NH2 ARG A 18 14.810 -8.884 8.383 1.00 0.00 N ATOM 0 H ARG A 18 15.633 -3.044 6.465 1.00 0.00 H new ATOM 0 HA ARG A 18 16.800 -2.761 8.297 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.850 -4.277 6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.258 -3.680 8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.572 -5.958 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.323 -4.954 9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.011 -5.178 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.225 -6.304 6.499 1.00 0.00 H new ATOM 0 HE ARG A 18 16.173 -6.988 9.142 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.697 -7.431 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.710 -8.879 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.910 -8.805 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.269 -9.650 7.982 1.00 0.00 H new ATOM 271 N GLY A 19 17.731 -0.498 6.721 1.00 0.00 N ATOM 272 CA GLY A 19 18.389 0.788 6.629 1.00 0.00 C ATOM 273 C GLY A 19 19.417 0.842 5.514 1.00 0.00 C ATOM 274 O GLY A 19 20.063 1.864 5.308 1.00 0.00 O ATOM 0 H GLY A 19 16.846 -0.562 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.641 1.563 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.877 1.011 7.578 1.00 0.00 H new ATOM 278 N ALA A 20 19.566 -0.241 4.804 1.00 0.00 N ATOM 279 CA ALA A 20 20.510 -0.324 3.719 1.00 0.00 C ATOM 280 C ALA A 20 19.745 -0.356 2.419 1.00 0.00 C ATOM 281 O ALA A 20 18.624 -0.848 2.381 1.00 0.00 O ATOM 282 CB ALA A 20 21.374 -1.571 3.868 1.00 0.00 C ATOM 0 H ALA A 20 19.034 -1.097 4.961 1.00 0.00 H new ATOM 0 HA ALA A 20 21.171 0.543 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 20 22.084 -1.623 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.918 -1.526 4.812 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.739 -2.457 3.857 1.00 0.00 H new ATOM 288 N PHE A 21 20.314 0.173 1.381 1.00 0.00 N ATOM 289 CA PHE A 21 19.645 0.208 0.101 1.00 0.00 C ATOM 290 C PHE A 21 20.106 -0.946 -0.747 1.00 0.00 C ATOM 291 O PHE A 21 21.303 -1.227 -0.829 1.00 0.00 O ATOM 292 CB PHE A 21 19.900 1.533 -0.623 1.00 0.00 C ATOM 293 CG PHE A 21 19.354 2.731 0.093 1.00 0.00 C ATOM 294 CD1 PHE A 21 18.047 3.136 -0.114 1.00 0.00 C ATOM 295 CD2 PHE A 21 20.145 3.452 0.973 1.00 0.00 C ATOM 296 CE1 PHE A 21 17.541 4.237 0.541 1.00 0.00 C ATOM 297 CE2 PHE A 21 19.643 4.553 1.631 1.00 0.00 C ATOM 298 CZ PHE A 21 18.343 4.945 1.415 1.00 0.00 C ATOM 0 H PHE A 21 21.245 0.591 1.387 1.00 0.00 H new ATOM 0 HA PHE A 21 18.572 0.123 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.974 1.661 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 21 19.457 1.483 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.418 2.583 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 21 21.167 3.147 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 21 16.520 4.546 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.269 5.107 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.948 5.808 1.930 1.00 0.00 H new ATOM 308 N CYS A 22 19.189 -1.625 -1.341 1.00 0.00 N ATOM 309 CA CYS A 22 19.497 -2.730 -2.196 1.00 0.00 C ATOM 310 C CYS A 22 18.776 -2.545 -3.515 1.00 0.00 C ATOM 311 O CYS A 22 17.636 -2.066 -3.539 1.00 0.00 O ATOM 312 CB CYS A 22 19.085 -4.028 -1.515 1.00 0.00 C ATOM 313 SG CYS A 22 19.824 -4.233 0.127 1.00 0.00 S ATOM 0 H CYS A 22 18.192 -1.432 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 22 20.569 -2.777 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.999 -4.055 -1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 22 19.374 -4.870 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 22 19.427 -5.357 0.644 1.00 0.00 H new ATOM 319 N GLU A 23 19.443 -2.865 -4.591 1.00 0.00 N ATOM 320 CA GLU A 23 18.932 -2.729 -5.885 1.00 0.00 C ATOM 321 C GLU A 23 17.947 -3.836 -6.151 1.00 0.00 C ATOM 322 O GLU A 23 18.227 -5.005 -5.886 1.00 0.00 O ATOM 323 CB GLU A 23 20.078 -2.835 -6.834 1.00 0.00 C ATOM 324 CG GLU A 23 19.679 -2.702 -8.237 1.00 0.00 C ATOM 325 CD GLU A 23 20.804 -2.939 -9.202 1.00 0.00 C ATOM 326 OE1 GLU A 23 21.656 -2.049 -9.383 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.864 -4.030 -9.798 1.00 0.00 O ATOM 0 H GLU A 23 20.391 -3.240 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 23 18.424 -1.772 -6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 23 20.811 -2.064 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.571 -3.797 -6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.875 -3.408 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.276 -1.702 -8.399 1.00 0.00 H new ATOM 334 N ALA A 24 16.838 -3.474 -6.670 1.00 0.00 N ATOM 335 CA ALA A 24 15.783 -4.411 -6.947 1.00 0.00 C ATOM 336 C ALA A 24 14.901 -3.901 -8.064 1.00 0.00 C ATOM 337 O ALA A 24 14.650 -2.709 -8.177 1.00 0.00 O ATOM 338 CB ALA A 24 14.975 -4.685 -5.694 1.00 0.00 C ATOM 0 H ALA A 24 16.619 -2.511 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 24 16.228 -5.351 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.181 -5.396 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.626 -5.102 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.537 -3.755 -5.333 1.00 0.00 H new ATOM 344 N LYS A 25 14.430 -4.786 -8.870 1.00 0.00 N ATOM 345 CA LYS A 25 13.644 -4.425 -10.003 1.00 0.00 C ATOM 346 C LYS A 25 12.193 -4.769 -9.737 1.00 0.00 C ATOM 347 O LYS A 25 11.894 -5.840 -9.231 1.00 0.00 O ATOM 348 CB LYS A 25 14.194 -5.144 -11.228 1.00 0.00 C ATOM 349 CG LYS A 25 13.590 -4.730 -12.552 1.00 0.00 C ATOM 350 CD LYS A 25 14.321 -5.362 -13.744 1.00 0.00 C ATOM 351 CE LYS A 25 15.719 -4.740 -14.034 1.00 0.00 C ATOM 352 NZ LYS A 25 16.745 -4.954 -12.970 1.00 0.00 N ATOM 0 H LYS A 25 14.579 -5.789 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 25 13.695 -3.352 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.270 -4.979 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.041 -6.215 -11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.539 -5.020 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.623 -3.644 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.441 -6.429 -13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.699 -5.261 -14.633 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.096 -5.155 -14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.597 -3.668 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.687 -5.021 -13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.727 -4.155 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.536 -5.835 -12.459 1.00 0.00 H new ATOM 366 N ILE A 26 11.309 -3.851 -10.028 1.00 0.00 N ATOM 367 CA ILE A 26 9.891 -4.038 -9.782 1.00 0.00 C ATOM 368 C ILE A 26 9.328 -5.158 -10.639 1.00 0.00 C ATOM 369 O ILE A 26 9.224 -5.038 -11.871 1.00 0.00 O ATOM 370 CB ILE A 26 9.076 -2.747 -10.011 1.00 0.00 C ATOM 371 CG1 ILE A 26 9.708 -1.581 -9.243 1.00 0.00 C ATOM 372 CG2 ILE A 26 7.637 -2.963 -9.558 1.00 0.00 C ATOM 373 CD1 ILE A 26 8.942 -0.280 -9.335 1.00 0.00 C ATOM 0 H ILE A 26 11.545 -2.950 -10.443 1.00 0.00 H new ATOM 0 HA ILE A 26 9.798 -4.309 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 26 9.080 -2.503 -11.073 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.799 -1.861 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.718 -1.420 -9.619 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.064 -2.050 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.193 -3.777 -10.131 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.623 -3.216 -8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.461 0.489 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.873 0.029 -10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.939 -0.419 -8.931 1.00 0.00 H new ATOM 385 N LYS A 27 8.985 -6.239 -9.978 1.00 0.00 N ATOM 386 CA LYS A 27 8.449 -7.403 -10.619 1.00 0.00 C ATOM 387 C LYS A 27 6.930 -7.369 -10.589 1.00 0.00 C ATOM 388 O LYS A 27 6.279 -7.719 -11.566 1.00 0.00 O ATOM 389 CB LYS A 27 8.979 -8.669 -9.934 1.00 0.00 C ATOM 390 CG LYS A 27 8.394 -9.966 -10.466 1.00 0.00 C ATOM 391 CD LYS A 27 8.990 -11.166 -9.756 1.00 0.00 C ATOM 392 CE LYS A 27 8.342 -12.459 -10.215 1.00 0.00 C ATOM 393 NZ LYS A 27 8.919 -13.635 -9.538 1.00 0.00 N ATOM 0 H LYS A 27 9.074 -6.329 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 27 8.768 -7.414 -11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.063 -8.701 -10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.771 -8.603 -8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.312 -9.962 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.584 -10.042 -11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.063 -11.207 -9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.861 -11.055 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.271 -12.417 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.465 -12.564 -11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.415 -14.492 -9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.926 -13.719 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.824 -13.524 -8.508 1.00 0.00 H new ATOM 407 N THR A 28 6.369 -6.951 -9.482 1.00 0.00 N ATOM 408 CA THR A 28 4.930 -6.877 -9.351 1.00 0.00 C ATOM 409 C THR A 28 4.526 -5.529 -8.745 1.00 0.00 C ATOM 410 O THR A 28 5.224 -4.988 -7.876 1.00 0.00 O ATOM 411 CB THR A 28 4.415 -8.016 -8.457 1.00 0.00 C ATOM 412 OG1 THR A 28 4.968 -9.268 -8.908 1.00 0.00 O ATOM 413 CG2 THR A 28 2.892 -8.111 -8.495 1.00 0.00 C ATOM 0 H THR A 28 6.886 -6.655 -8.654 1.00 0.00 H new ATOM 0 HA THR A 28 4.488 -6.975 -10.342 1.00 0.00 H new ATOM 0 HB THR A 28 4.725 -7.805 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.641 -9.995 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.562 -8.927 -7.852 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.460 -7.174 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.565 -8.300 -9.517 1.00 0.00 H new ATOM 421 N VAL A 29 3.424 -5.007 -9.214 1.00 0.00 N ATOM 422 CA VAL A 29 2.872 -3.754 -8.761 1.00 0.00 C ATOM 423 C VAL A 29 1.472 -3.977 -8.289 1.00 0.00 C ATOM 424 O VAL A 29 0.647 -4.537 -9.006 1.00 0.00 O ATOM 425 CB VAL A 29 2.859 -2.678 -9.885 1.00 0.00 C ATOM 426 CG1 VAL A 29 2.078 -1.429 -9.467 1.00 0.00 C ATOM 427 CG2 VAL A 29 4.259 -2.290 -10.222 1.00 0.00 C ATOM 0 H VAL A 29 2.868 -5.454 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 29 3.504 -3.387 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 29 2.365 -3.112 -10.754 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.093 -0.702 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.047 -1.703 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.538 -0.992 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.248 -1.536 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.747 -1.883 -9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.807 -3.167 -10.567 1.00 0.00 H new ATOM 437 N LYS A 30 1.220 -3.598 -7.091 1.00 0.00 N ATOM 438 CA LYS A 30 -0.092 -3.672 -6.549 1.00 0.00 C ATOM 439 C LYS A 30 -0.581 -2.295 -6.189 1.00 0.00 C ATOM 440 O LYS A 30 -0.035 -1.643 -5.293 1.00 0.00 O ATOM 441 CB LYS A 30 -0.142 -4.608 -5.349 1.00 0.00 C ATOM 442 CG LYS A 30 0.073 -6.064 -5.698 1.00 0.00 C ATOM 443 CD LYS A 30 0.005 -6.943 -4.472 1.00 0.00 C ATOM 444 CE LYS A 30 0.022 -8.406 -4.859 1.00 0.00 C ATOM 445 NZ LYS A 30 0.057 -9.285 -3.683 1.00 0.00 N ATOM 0 H LYS A 30 1.921 -3.224 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.756 -4.086 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.617 -4.301 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.109 -4.501 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.682 -6.382 -6.417 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.043 -6.184 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.848 -6.726 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.902 -6.721 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.861 -8.634 -5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.891 -8.605 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.068 -10.278 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.913 -9.086 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.785 -9.114 -3.097 1.00 0.00 H new ATOM 459 N ARG A 31 -1.573 -1.837 -6.907 1.00 0.00 N ATOM 460 CA ARG A 31 -2.179 -0.548 -6.664 1.00 0.00 C ATOM 461 C ARG A 31 -3.095 -0.625 -5.472 1.00 0.00 C ATOM 462 O ARG A 31 -4.225 -1.097 -5.576 1.00 0.00 O ATOM 463 CB ARG A 31 -2.949 -0.077 -7.900 1.00 0.00 C ATOM 464 CG ARG A 31 -2.095 0.592 -8.959 1.00 0.00 C ATOM 465 CD ARG A 31 -2.047 2.102 -8.742 1.00 0.00 C ATOM 466 NE ARG A 31 -1.485 2.472 -7.434 1.00 0.00 N ATOM 467 CZ ARG A 31 -1.643 3.663 -6.829 1.00 0.00 C ATOM 468 NH1 ARG A 31 -2.314 4.645 -7.413 1.00 0.00 N ATOM 469 NH2 ARG A 31 -1.107 3.856 -5.654 1.00 0.00 N ATOM 0 H ARG A 31 -1.989 -2.350 -7.684 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.391 0.175 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.453 -0.934 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.725 0.620 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.085 0.184 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.498 0.375 -9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.450 2.559 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.054 2.509 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.931 1.768 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.722 4.505 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.423 5.541 -6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.576 3.109 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.219 4.754 -5.184 1.00 0.00 H new ATOM 483 N LEU A 32 -2.582 -0.238 -4.334 1.00 0.00 N ATOM 484 CA LEU A 32 -3.359 -0.239 -3.129 1.00 0.00 C ATOM 485 C LEU A 32 -3.414 1.085 -2.511 1.00 0.00 C ATOM 486 O LEU A 32 -2.399 1.617 -2.047 1.00 0.00 O ATOM 487 CB LEU A 32 -2.876 -1.212 -2.062 1.00 0.00 C ATOM 488 CG LEU A 32 -3.335 -2.643 -2.156 1.00 0.00 C ATOM 489 CD1 LEU A 32 -2.651 -3.376 -3.269 1.00 0.00 C ATOM 490 CD2 LEU A 32 -3.148 -3.315 -0.827 1.00 0.00 C ATOM 0 H LEU A 32 -1.621 0.084 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.344 -0.559 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.786 -1.209 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.185 -0.824 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.397 -2.659 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.010 -4.404 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.870 -2.884 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.574 -3.373 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.480 -4.351 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.094 -3.289 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.734 -2.794 -0.070 1.00 0.00 H new ATOM 502 N VAL A 33 -4.560 1.604 -2.488 1.00 0.00 N ATOM 503 CA VAL A 33 -4.826 2.779 -1.761 1.00 0.00 C ATOM 504 C VAL A 33 -5.803 2.388 -0.693 1.00 0.00 C ATOM 505 O VAL A 33 -6.902 1.931 -0.991 1.00 0.00 O ATOM 506 CB VAL A 33 -5.402 3.927 -2.642 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.741 5.144 -1.785 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.403 4.325 -3.720 1.00 0.00 C ATOM 0 H VAL A 33 -5.367 1.223 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.899 3.178 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.313 3.563 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.142 5.935 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.484 4.867 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.840 5.500 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.822 5.128 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.480 4.667 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.191 3.465 -4.355 1.00 0.00 H new ATOM 518 N LYS A 34 -5.379 2.472 0.534 1.00 0.00 N ATOM 519 CA LYS A 34 -6.240 2.175 1.625 1.00 0.00 C ATOM 520 C LYS A 34 -7.126 3.340 1.879 1.00 0.00 C ATOM 521 O LYS A 34 -6.697 4.396 2.339 1.00 0.00 O ATOM 522 CB LYS A 34 -5.495 1.717 2.882 1.00 0.00 C ATOM 523 CG LYS A 34 -4.880 0.328 2.753 1.00 0.00 C ATOM 524 CD LYS A 34 -4.342 -0.176 4.085 1.00 0.00 C ATOM 525 CE LYS A 34 -3.848 -1.614 3.970 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.398 -2.160 5.270 1.00 0.00 N ATOM 0 H LYS A 34 -4.433 2.747 0.798 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.853 1.317 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.707 2.435 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.185 1.723 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.629 -0.368 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.073 0.354 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.526 0.466 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.124 -0.116 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.647 -2.240 3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.025 -1.657 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.072 -3.139 5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.617 -1.580 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.189 -2.145 5.945 1.00 0.00 H new ATOM 540 N VAL A 35 -8.330 3.161 1.496 1.00 0.00 N ATOM 541 CA VAL A 35 -9.323 4.141 1.588 1.00 0.00 C ATOM 542 C VAL A 35 -10.031 3.968 2.908 1.00 0.00 C ATOM 543 O VAL A 35 -10.454 2.857 3.270 1.00 0.00 O ATOM 544 CB VAL A 35 -10.317 4.017 0.403 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.405 5.059 0.489 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.583 4.141 -0.929 1.00 0.00 C ATOM 0 H VAL A 35 -8.660 2.284 1.092 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.879 5.135 1.537 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.780 3.032 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.085 4.946 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.958 4.932 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.959 6.053 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.297 4.051 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.089 5.111 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.838 3.349 -1.009 1.00 0.00 H new ATOM 556 N LYS A 36 -10.106 5.026 3.641 1.00 0.00 N ATOM 557 CA LYS A 36 -10.747 5.005 4.892 1.00 0.00 C ATOM 558 C LYS A 36 -12.123 5.518 4.674 1.00 0.00 C ATOM 559 O LYS A 36 -12.304 6.566 4.054 1.00 0.00 O ATOM 560 CB LYS A 36 -10.007 5.871 5.912 1.00 0.00 C ATOM 561 CG LYS A 36 -10.404 5.581 7.352 1.00 0.00 C ATOM 562 CD LYS A 36 -9.544 6.330 8.370 1.00 0.00 C ATOM 563 CE LYS A 36 -9.764 7.833 8.320 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.916 8.545 9.294 1.00 0.00 N ATOM 0 H LYS A 36 -9.718 5.932 3.379 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.761 3.993 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.934 5.714 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.200 6.921 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.449 5.854 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.325 4.510 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.771 5.965 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.492 6.113 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.549 8.198 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.812 8.054 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.096 9.567 9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.139 8.215 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.915 8.355 9.086 1.00 0.00 H new ATOM 578 N VAL A 37 -13.073 4.786 5.111 1.00 0.00 N ATOM 579 CA VAL A 37 -14.433 5.164 4.959 1.00 0.00 C ATOM 580 C VAL A 37 -15.080 5.273 6.301 1.00 0.00 C ATOM 581 O VAL A 37 -14.578 4.746 7.289 1.00 0.00 O ATOM 582 CB VAL A 37 -15.243 4.174 4.094 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.675 4.072 2.693 1.00 0.00 C ATOM 584 CG2 VAL A 37 -15.327 2.813 4.759 1.00 0.00 C ATOM 0 H VAL A 37 -12.933 3.897 5.590 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.433 6.126 4.446 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.258 4.563 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.268 3.367 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.704 5.052 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.643 3.724 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.903 2.135 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.322 2.414 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.816 2.911 5.728 1.00 0.00 H new ATOM 594 N LEU A 38 -16.155 5.957 6.330 1.00 0.00 N ATOM 595 CA LEU A 38 -16.948 6.129 7.494 1.00 0.00 C ATOM 596 C LEU A 38 -18.339 5.640 7.191 1.00 0.00 C ATOM 597 O LEU A 38 -18.994 6.128 6.257 1.00 0.00 O ATOM 598 CB LEU A 38 -16.944 7.603 7.933 1.00 0.00 C ATOM 599 CG LEU A 38 -17.956 8.012 9.029 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.755 7.205 10.301 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.862 9.506 9.331 1.00 0.00 C ATOM 0 H LEU A 38 -16.529 6.436 5.511 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.539 5.552 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.943 7.848 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.130 8.219 7.053 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.953 7.797 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.483 7.518 11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.890 6.145 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.748 7.372 10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.584 9.767 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.856 9.745 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.078 10.074 8.426 1.00 0.00 H new ATOM 613 N LEU A 39 -18.760 4.634 7.919 1.00 0.00 N ATOM 614 CA LEU A 39 -20.076 4.086 7.760 1.00 0.00 C ATOM 615 C LEU A 39 -21.113 5.065 8.230 1.00 0.00 C ATOM 616 O LEU A 39 -21.107 5.482 9.384 1.00 0.00 O ATOM 617 CB LEU A 39 -20.228 2.720 8.446 1.00 0.00 C ATOM 618 CG LEU A 39 -19.504 1.548 7.772 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.568 0.310 8.644 1.00 0.00 C ATOM 620 CD2 LEU A 39 -20.145 1.244 6.428 1.00 0.00 C ATOM 0 H LEU A 39 -18.197 4.176 8.636 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.232 3.909 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -19.864 2.807 9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.290 2.481 8.505 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.461 1.830 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.049 -0.511 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.092 0.515 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.610 0.034 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.624 0.410 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.192 0.981 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -20.079 2.123 5.786 1.00 0.00 H new ATOM 632 N LYS A 40 -21.999 5.406 7.324 1.00 0.00 N ATOM 633 CA LYS A 40 -23.042 6.422 7.540 1.00 0.00 C ATOM 634 C LYS A 40 -23.889 6.095 8.751 1.00 0.00 C ATOM 635 O LYS A 40 -24.164 6.948 9.583 1.00 0.00 O ATOM 636 CB LYS A 40 -23.985 6.437 6.346 1.00 0.00 C ATOM 637 CG LYS A 40 -23.311 6.489 4.997 1.00 0.00 C ATOM 638 CD LYS A 40 -24.332 6.396 3.875 1.00 0.00 C ATOM 639 CE LYS A 40 -25.249 7.608 3.822 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.369 7.401 2.885 1.00 0.00 N ATOM 0 H LYS A 40 -22.029 4.987 6.395 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.539 7.379 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.612 5.546 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -24.647 7.298 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.746 7.417 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -22.596 5.671 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -23.812 6.295 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.932 5.496 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.641 7.812 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.677 8.485 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -26.801 8.318 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.016 6.954 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -27.081 6.785 3.326 1.00 0.00 H new ATOM 654 N GLN A 41 -24.254 4.844 8.841 1.00 0.00 N ATOM 655 CA GLN A 41 -25.176 4.383 9.868 1.00 0.00 C ATOM 656 C GLN A 41 -24.485 4.161 11.190 1.00 0.00 C ATOM 657 O GLN A 41 -24.758 4.829 12.168 1.00 0.00 O ATOM 658 CB GLN A 41 -25.788 3.059 9.437 1.00 0.00 C ATOM 659 CG GLN A 41 -26.471 3.102 8.105 1.00 0.00 C ATOM 660 CD GLN A 41 -26.969 1.745 7.671 1.00 0.00 C ATOM 661 OE1 GLN A 41 -26.375 0.725 7.998 1.00 0.00 O ATOM 662 NE2 GLN A 41 -28.063 1.713 6.967 1.00 0.00 N ATOM 0 H GLN A 41 -23.927 4.111 8.211 1.00 0.00 H new ATOM 0 HA GLN A 41 -25.935 5.155 9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.004 2.302 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.508 2.742 10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -27.310 3.796 8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -25.779 3.489 7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -28.531 2.583 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -28.452 0.818 6.670 1.00 0.00 H new ATOM 671 N ASP A 42 -23.546 3.261 11.181 1.00 0.00 N ATOM 672 CA ASP A 42 -22.913 2.800 12.421 1.00 0.00 C ATOM 673 C ASP A 42 -21.830 3.749 12.922 1.00 0.00 C ATOM 674 O ASP A 42 -21.502 3.746 14.107 1.00 0.00 O ATOM 675 CB ASP A 42 -22.377 1.371 12.248 1.00 0.00 C ATOM 676 CG ASP A 42 -21.781 0.790 13.519 1.00 0.00 C ATOM 677 OD1 ASP A 42 -22.521 0.514 14.471 1.00 0.00 O ATOM 678 OD2 ASP A 42 -20.553 0.593 13.579 1.00 0.00 O ATOM 0 H ASP A 42 -23.188 2.819 10.334 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.683 2.792 13.193 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.187 0.726 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.618 1.368 11.466 1.00 0.00 H new ATOM 683 N ASN A 43 -21.282 4.564 12.010 1.00 0.00 N ATOM 684 CA ASN A 43 -20.250 5.553 12.331 1.00 0.00 C ATOM 685 C ASN A 43 -18.902 4.929 12.576 1.00 0.00 C ATOM 686 O ASN A 43 -17.998 5.561 13.118 1.00 0.00 O ATOM 687 CB ASN A 43 -20.662 6.535 13.450 1.00 0.00 C ATOM 688 CG ASN A 43 -21.416 7.769 12.945 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.321 8.849 13.543 1.00 0.00 O ATOM 690 ND2 ASN A 43 -22.153 7.640 11.864 1.00 0.00 N ATOM 0 H ASN A 43 -21.545 4.554 11.025 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.148 6.163 11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.288 6.008 14.170 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.768 6.860 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.665 8.442 11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.213 6.738 11.392 1.00 0.00 H new ATOM 697 N THR A 44 -18.735 3.723 12.107 1.00 0.00 N ATOM 698 CA THR A 44 -17.480 3.074 12.185 1.00 0.00 C ATOM 699 C THR A 44 -16.619 3.526 11.046 1.00 0.00 C ATOM 700 O THR A 44 -17.110 3.758 9.932 1.00 0.00 O ATOM 701 CB THR A 44 -17.657 1.577 12.116 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.979 1.290 11.617 1.00 0.00 O ATOM 703 CG2 THR A 44 -17.479 0.962 13.471 1.00 0.00 C ATOM 0 H THR A 44 -19.471 3.174 11.663 1.00 0.00 H new ATOM 0 HA THR A 44 -17.007 3.329 13.133 1.00 0.00 H new ATOM 0 HB THR A 44 -16.905 1.155 11.449 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.622 1.327 12.355 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.610 -0.118 13.401 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.478 1.182 13.842 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.219 1.374 14.157 1.00 0.00 H new ATOM 711 N THR A 45 -15.382 3.685 11.307 1.00 0.00 N ATOM 712 CA THR A 45 -14.475 4.087 10.310 1.00 0.00 C ATOM 713 C THR A 45 -13.605 2.888 10.004 1.00 0.00 C ATOM 714 O THR A 45 -13.177 2.181 10.914 1.00 0.00 O ATOM 715 CB THR A 45 -13.632 5.234 10.812 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.475 6.129 11.563 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.035 5.997 9.656 1.00 0.00 C ATOM 0 H THR A 45 -14.966 3.539 12.227 1.00 0.00 H new ATOM 0 HA THR A 45 -14.996 4.427 9.415 1.00 0.00 H new ATOM 0 HB THR A 45 -12.828 4.839 11.433 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.940 6.879 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.431 6.820 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.408 5.330 9.065 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.834 6.393 9.030 1.00 0.00 H new ATOM 725 N GLN A 46 -13.358 2.667 8.773 1.00 0.00 N ATOM 726 CA GLN A 46 -12.674 1.469 8.339 1.00 0.00 C ATOM 727 C GLN A 46 -11.636 1.865 7.303 1.00 0.00 C ATOM 728 O GLN A 46 -11.904 2.734 6.492 1.00 0.00 O ATOM 729 CB GLN A 46 -13.712 0.536 7.702 1.00 0.00 C ATOM 730 CG GLN A 46 -13.405 -0.952 7.800 1.00 0.00 C ATOM 731 CD GLN A 46 -13.564 -1.500 9.219 1.00 0.00 C ATOM 732 OE1 GLN A 46 -13.349 -0.805 10.217 1.00 0.00 O ATOM 733 NE2 GLN A 46 -13.961 -2.734 9.319 1.00 0.00 N ATOM 0 H GLN A 46 -13.617 3.302 8.017 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.186 0.966 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.678 0.721 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.814 0.799 6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.066 -1.499 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.385 -1.131 7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.131 -3.285 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.102 -3.151 10.239 1.00 0.00 H new ATOM 742 N LEU A 47 -10.477 1.253 7.337 1.00 0.00 N ATOM 743 CA LEU A 47 -9.403 1.576 6.398 1.00 0.00 C ATOM 744 C LEU A 47 -9.064 0.319 5.597 1.00 0.00 C ATOM 745 O LEU A 47 -8.385 -0.585 6.096 1.00 0.00 O ATOM 746 CB LEU A 47 -8.159 2.080 7.181 1.00 0.00 C ATOM 747 CG LEU A 47 -6.938 2.553 6.359 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.228 3.842 5.598 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.725 2.737 7.258 1.00 0.00 C ATOM 0 H LEU A 47 -10.242 0.521 8.007 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.719 2.365 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.475 2.906 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.829 1.277 7.840 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.723 1.776 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.344 4.138 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.059 3.680 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.489 4.630 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.876 3.070 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.947 3.484 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.481 1.789 7.738 1.00 0.00 H new ATOM 761 N VAL A 48 -9.543 0.248 4.370 1.00 0.00 N ATOM 762 CA VAL A 48 -9.369 -0.941 3.536 1.00 0.00 C ATOM 763 C VAL A 48 -8.968 -0.484 2.137 1.00 0.00 C ATOM 764 O VAL A 48 -9.293 0.621 1.743 1.00 0.00 O ATOM 765 CB VAL A 48 -10.695 -1.787 3.444 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.443 -3.138 2.782 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.332 -1.994 4.818 1.00 0.00 C ATOM 0 H VAL A 48 -10.061 1.003 3.920 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.602 -1.574 3.982 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.390 -1.217 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.376 -3.699 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.059 -2.983 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.713 -3.699 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.244 -2.582 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.634 -2.522 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.574 -1.026 5.257 1.00 0.00 H new ATOM 777 N GLN A 49 -8.257 -1.304 1.400 1.00 0.00 N ATOM 778 CA GLN A 49 -7.808 -0.925 0.091 1.00 0.00 C ATOM 779 C GLN A 49 -8.945 -0.872 -0.924 1.00 0.00 C ATOM 780 O GLN A 49 -9.954 -1.594 -0.810 1.00 0.00 O ATOM 781 CB GLN A 49 -6.630 -1.779 -0.399 1.00 0.00 C ATOM 782 CG GLN A 49 -6.927 -3.250 -0.677 1.00 0.00 C ATOM 783 CD GLN A 49 -7.330 -4.055 0.534 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.949 -3.748 1.660 1.00 0.00 O ATOM 785 NE2 GLN A 49 -8.051 -5.106 0.313 1.00 0.00 N ATOM 0 H GLN A 49 -7.978 -2.241 1.691 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.431 0.093 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.240 -1.331 -1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.836 -1.726 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.724 -3.311 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.043 -3.707 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.349 -5.329 -0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.321 -5.711 1.088 1.00 0.00 H new ATOM 794 N ASP A 50 -8.731 -0.045 -1.924 1.00 0.00 N ATOM 795 CA ASP A 50 -9.678 0.304 -3.007 1.00 0.00 C ATOM 796 C ASP A 50 -10.212 -0.902 -3.789 1.00 0.00 C ATOM 797 O ASP A 50 -11.158 -0.788 -4.544 1.00 0.00 O ATOM 798 CB ASP A 50 -9.012 1.292 -3.976 1.00 0.00 C ATOM 799 CG ASP A 50 -7.811 0.699 -4.680 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.703 0.633 -4.071 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.935 0.282 -5.849 1.00 0.00 O ATOM 0 H ASP A 50 -7.841 0.442 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.542 0.756 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.742 1.613 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.704 2.181 -3.427 1.00 0.00 H new ATOM 806 N ASP A 51 -9.623 -2.043 -3.597 1.00 0.00 N ATOM 807 CA ASP A 51 -10.073 -3.256 -4.261 1.00 0.00 C ATOM 808 C ASP A 51 -11.321 -3.813 -3.574 1.00 0.00 C ATOM 809 O ASP A 51 -12.147 -4.489 -4.186 1.00 0.00 O ATOM 810 CB ASP A 51 -8.957 -4.292 -4.284 1.00 0.00 C ATOM 811 CG ASP A 51 -9.375 -5.612 -4.878 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.670 -5.670 -6.081 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.358 -6.627 -4.155 1.00 0.00 O ATOM 0 H ASP A 51 -8.820 -2.173 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.335 -3.013 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.116 -3.896 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.603 -4.456 -3.266 1.00 0.00 H new ATOM 818 N GLN A 52 -11.471 -3.506 -2.304 1.00 0.00 N ATOM 819 CA GLN A 52 -12.625 -3.971 -1.534 1.00 0.00 C ATOM 820 C GLN A 52 -13.574 -2.825 -1.276 1.00 0.00 C ATOM 821 O GLN A 52 -14.624 -2.978 -0.657 1.00 0.00 O ATOM 822 CB GLN A 52 -12.162 -4.589 -0.241 1.00 0.00 C ATOM 823 CG GLN A 52 -11.283 -5.795 -0.452 1.00 0.00 C ATOM 824 CD GLN A 52 -12.040 -6.986 -1.027 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.580 -7.794 -0.283 1.00 0.00 O ATOM 826 NE2 GLN A 52 -12.067 -7.122 -2.327 1.00 0.00 N ATOM 0 H GLN A 52 -10.812 -2.936 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.158 -4.730 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.616 -3.844 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.031 -4.877 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.467 -5.531 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.833 -6.081 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.608 -6.432 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.547 -7.918 -2.747 1.00 0.00 H new ATOM 835 N VAL A 53 -13.169 -1.683 -1.722 1.00 0.00 N ATOM 836 CA VAL A 53 -13.988 -0.499 -1.670 1.00 0.00 C ATOM 837 C VAL A 53 -14.569 -0.276 -3.041 1.00 0.00 C ATOM 838 O VAL A 53 -13.859 -0.015 -3.998 1.00 0.00 O ATOM 839 CB VAL A 53 -13.190 0.744 -1.230 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.096 1.959 -1.135 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.560 0.473 0.097 1.00 0.00 C ATOM 0 H VAL A 53 -12.250 -1.535 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.773 -0.648 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.419 0.953 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.512 2.825 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.544 2.156 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.883 1.770 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.993 1.348 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.336 0.256 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.890 -0.383 0.014 1.00 0.00 H new ATOM 851 N LYS A 54 -15.834 -0.413 -3.138 1.00 0.00 N ATOM 852 CA LYS A 54 -16.488 -0.321 -4.413 1.00 0.00 C ATOM 853 C LYS A 54 -16.987 1.071 -4.670 1.00 0.00 C ATOM 854 O LYS A 54 -18.037 1.478 -4.155 1.00 0.00 O ATOM 855 CB LYS A 54 -17.622 -1.349 -4.550 1.00 0.00 C ATOM 856 CG LYS A 54 -17.176 -2.793 -4.357 1.00 0.00 C ATOM 857 CD LYS A 54 -16.000 -3.139 -5.258 1.00 0.00 C ATOM 858 CE LYS A 54 -15.574 -4.576 -5.080 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.359 -4.882 -5.847 1.00 0.00 N ATOM 0 H LYS A 54 -16.456 -0.592 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.743 -0.556 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.398 -1.118 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.073 -1.248 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.897 -2.952 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.009 -3.464 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.274 -2.965 -6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.162 -2.479 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.397 -4.775 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.381 -5.237 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.293 -5.909 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.399 -4.399 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.524 -4.555 -5.320 1.00 0.00 H new ATOM 873 N GLY A 55 -16.215 1.812 -5.412 1.00 0.00 N ATOM 874 CA GLY A 55 -16.596 3.135 -5.795 1.00 0.00 C ATOM 875 C GLY A 55 -15.379 3.994 -6.067 1.00 0.00 C ATOM 876 O GLY A 55 -14.275 3.452 -6.223 1.00 0.00 O ATOM 0 H GLY A 55 -15.306 1.514 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.222 3.093 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.196 3.587 -5.005 1.00 0.00 H new ATOM 880 N PRO A 56 -15.538 5.319 -6.168 1.00 0.00 N ATOM 881 CA PRO A 56 -14.426 6.238 -6.407 1.00 0.00 C ATOM 882 C PRO A 56 -13.631 6.530 -5.134 1.00 0.00 C ATOM 883 O PRO A 56 -14.191 6.613 -4.040 1.00 0.00 O ATOM 884 CB PRO A 56 -15.110 7.537 -6.882 1.00 0.00 C ATOM 885 CG PRO A 56 -16.575 7.229 -6.971 1.00 0.00 C ATOM 886 CD PRO A 56 -16.813 6.042 -6.075 1.00 0.00 C ATOM 0 HA PRO A 56 -13.717 5.819 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.925 8.353 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.719 7.852 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.172 8.083 -6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -16.863 7.005 -7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.036 6.343 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.651 5.435 -6.418 1.00 0.00 H new ATOM 894 N LEU A 57 -12.348 6.726 -5.282 1.00 0.00 N ATOM 895 CA LEU A 57 -11.509 7.076 -4.171 1.00 0.00 C ATOM 896 C LEU A 57 -11.307 8.566 -4.179 1.00 0.00 C ATOM 897 O LEU A 57 -10.356 9.111 -4.752 1.00 0.00 O ATOM 898 CB LEU A 57 -10.172 6.271 -4.105 1.00 0.00 C ATOM 899 CG LEU A 57 -9.249 6.228 -5.350 1.00 0.00 C ATOM 900 CD1 LEU A 57 -7.855 5.805 -4.927 1.00 0.00 C ATOM 901 CD2 LEU A 57 -9.758 5.221 -6.386 1.00 0.00 C ATOM 0 H LEU A 57 -11.858 6.648 -6.173 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.016 6.787 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.588 6.674 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.422 5.242 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.240 7.223 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.204 5.774 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.461 6.521 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.898 4.816 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.089 5.215 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.788 4.226 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.760 5.505 -6.707 1.00 0.00 H new ATOM 913 N ARG A 58 -12.295 9.210 -3.630 1.00 0.00 N ATOM 914 CA ARG A 58 -12.378 10.639 -3.519 1.00 0.00 C ATOM 915 C ARG A 58 -12.961 10.946 -2.180 1.00 0.00 C ATOM 916 O ARG A 58 -14.067 10.539 -1.928 1.00 0.00 O ATOM 917 CB ARG A 58 -13.272 11.193 -4.641 1.00 0.00 C ATOM 918 CG ARG A 58 -13.295 12.706 -4.756 1.00 0.00 C ATOM 919 CD ARG A 58 -11.950 13.237 -5.213 1.00 0.00 C ATOM 920 NE ARG A 58 -11.916 14.698 -5.298 1.00 0.00 N ATOM 921 CZ ARG A 58 -10.985 15.396 -5.970 1.00 0.00 C ATOM 922 NH1 ARG A 58 -10.096 14.764 -6.749 1.00 0.00 N ATOM 923 NH2 ARG A 58 -10.969 16.715 -5.897 1.00 0.00 N ATOM 0 H ARG A 58 -13.102 8.732 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.395 11.101 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.937 10.777 -5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.291 10.841 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.068 13.009 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.554 13.144 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.178 12.900 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -11.711 12.815 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.647 15.221 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.124 13.748 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.392 15.299 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.663 17.203 -5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.263 17.245 -6.407 1.00 0.00 H new ATOM 937 N VAL A 59 -12.231 11.632 -1.318 1.00 0.00 N ATOM 938 CA VAL A 59 -12.734 11.925 0.019 1.00 0.00 C ATOM 939 C VAL A 59 -14.061 12.663 -0.078 1.00 0.00 C ATOM 940 O VAL A 59 -14.165 13.702 -0.751 1.00 0.00 O ATOM 941 CB VAL A 59 -11.722 12.707 0.891 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.274 12.912 2.294 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.400 11.958 0.965 1.00 0.00 C ATOM 0 H VAL A 59 -11.298 11.995 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.887 10.971 0.523 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.555 13.681 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.549 13.463 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.205 13.477 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.464 11.943 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.698 12.519 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.563 10.974 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.990 11.843 -0.039 1.00 0.00 H new ATOM 953 N GLY A 60 -15.072 12.103 0.544 1.00 0.00 N ATOM 954 CA GLY A 60 -16.385 12.632 0.433 1.00 0.00 C ATOM 955 C GLY A 60 -17.237 11.893 -0.598 1.00 0.00 C ATOM 956 O GLY A 60 -18.344 12.348 -0.913 1.00 0.00 O ATOM 0 H GLY A 60 -14.995 11.274 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.875 12.582 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.325 13.686 0.160 1.00 0.00 H new ATOM 960 N ALA A 61 -16.752 10.773 -1.151 1.00 0.00 N ATOM 961 CA ALA A 61 -17.573 10.037 -2.106 1.00 0.00 C ATOM 962 C ALA A 61 -18.293 8.920 -1.397 1.00 0.00 C ATOM 963 O ALA A 61 -17.829 8.444 -0.355 1.00 0.00 O ATOM 964 CB ALA A 61 -16.744 9.497 -3.266 1.00 0.00 C ATOM 0 H ALA A 61 -15.833 10.374 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.304 10.725 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.392 8.955 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.269 10.326 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.978 8.823 -2.883 1.00 0.00 H new ATOM 970 N ILE A 62 -19.418 8.530 -1.920 1.00 0.00 N ATOM 971 CA ILE A 62 -20.195 7.473 -1.353 1.00 0.00 C ATOM 972 C ILE A 62 -19.836 6.186 -2.050 1.00 0.00 C ATOM 973 O ILE A 62 -19.997 6.055 -3.269 1.00 0.00 O ATOM 974 CB ILE A 62 -21.684 7.761 -1.519 1.00 0.00 C ATOM 975 CG1 ILE A 62 -21.997 9.115 -0.900 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.525 6.660 -0.872 1.00 0.00 C ATOM 977 CD1 ILE A 62 -23.401 9.556 -1.102 1.00 0.00 C ATOM 0 H ILE A 62 -19.824 8.942 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.981 7.391 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.933 7.782 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.790 9.072 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -21.327 9.862 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.583 6.886 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.297 5.704 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.295 6.604 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -23.548 10.529 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -23.608 9.633 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -24.079 8.830 -0.652 1.00 0.00 H new ATOM 989 N VAL A 63 -19.352 5.261 -1.298 1.00 0.00 N ATOM 990 CA VAL A 63 -18.870 4.013 -1.823 1.00 0.00 C ATOM 991 C VAL A 63 -19.408 2.883 -1.022 1.00 0.00 C ATOM 992 O VAL A 63 -19.980 3.088 0.035 1.00 0.00 O ATOM 993 CB VAL A 63 -17.329 3.933 -1.773 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.720 4.976 -2.665 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.830 4.102 -0.339 1.00 0.00 C ATOM 0 H VAL A 63 -19.275 5.342 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.203 3.951 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.024 2.950 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.633 4.906 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.050 4.815 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.034 5.966 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.742 4.043 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.146 5.072 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.245 3.312 0.286 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.226 1.704 -1.500 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.621 0.570 -0.738 1.00 0.00 C ATOM 1007 C GLU A 64 -18.378 -0.164 -0.320 1.00 0.00 C ATOM 1008 O GLU A 64 -17.594 -0.591 -1.149 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.575 -0.346 -1.505 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.847 0.342 -2.010 1.00 0.00 C ATOM 1011 CD GLU A 64 -21.666 1.041 -3.351 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -21.761 0.359 -4.399 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -21.462 2.262 -3.403 1.00 0.00 O ATOM 0 H GLU A 64 -18.810 1.498 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.176 0.905 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.044 -0.771 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.858 -1.177 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.641 -0.399 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -22.175 1.072 -1.270 1.00 0.00 H new ATOM 1020 N THR A 65 -18.186 -0.293 0.940 1.00 0.00 N ATOM 1021 CA THR A 65 -17.034 -0.883 1.462 1.00 0.00 C ATOM 1022 C THR A 65 -17.370 -2.255 1.994 1.00 0.00 C ATOM 1023 O THR A 65 -18.486 -2.481 2.480 1.00 0.00 O ATOM 1024 CB THR A 65 -16.571 -0.015 2.590 1.00 0.00 C ATOM 1025 OG1 THR A 65 -16.540 1.335 2.126 1.00 0.00 O ATOM 1026 CG2 THR A 65 -15.214 -0.421 3.043 1.00 0.00 C ATOM 0 H THR A 65 -18.850 0.021 1.647 1.00 0.00 H new ATOM 0 HA THR A 65 -16.263 -0.981 0.698 1.00 0.00 H new ATOM 0 HB THR A 65 -17.253 -0.116 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 65 -16.332 1.347 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.897 0.223 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.238 -1.456 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.511 -0.327 2.215 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.436 -3.160 1.885 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.628 -4.495 2.377 1.00 0.00 C ATOM 1036 C ARG A 66 -16.687 -4.514 3.888 1.00 0.00 C ATOM 1037 O ARG A 66 -15.732 -4.128 4.580 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.538 -5.441 1.905 1.00 0.00 C ATOM 1039 CG ARG A 66 -15.772 -6.861 2.383 1.00 0.00 C ATOM 1040 CD ARG A 66 -14.690 -7.793 1.932 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.932 -9.149 2.405 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.636 -10.257 1.730 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -14.042 -10.188 0.538 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.921 -11.436 2.253 1.00 0.00 N ATOM 0 H ARG A 66 -15.526 -2.994 1.455 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.580 -4.840 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.493 -5.428 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.572 -5.091 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.829 -6.872 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.733 -7.215 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.634 -7.789 0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.727 -7.442 2.302 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.361 -9.258 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.810 -9.280 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.819 -11.043 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.365 -11.493 3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.697 -12.289 1.741 1.00 0.00 H new ATOM 1058 N THR A 67 -17.783 -4.960 4.388 1.00 0.00 N ATOM 1059 CA THR A 67 -17.957 -5.113 5.772 1.00 0.00 C ATOM 1060 C THR A 67 -17.556 -6.532 6.137 1.00 0.00 C ATOM 1061 O THR A 67 -17.521 -7.414 5.266 1.00 0.00 O ATOM 1062 CB THR A 67 -19.414 -4.800 6.196 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.583 -4.941 7.607 1.00 0.00 O ATOM 1064 CG2 THR A 67 -20.389 -5.679 5.476 1.00 0.00 C ATOM 0 H THR A 67 -18.593 -5.231 3.830 1.00 0.00 H new ATOM 0 HA THR A 67 -17.328 -4.404 6.310 1.00 0.00 H new ATOM 0 HB THR A 67 -19.613 -3.764 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.152 -5.717 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 67 -21.403 -5.436 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 67 -20.298 -5.519 4.402 1.00 0.00 H new ATOM 0 HG23 THR A 67 -20.177 -6.723 5.707 1.00 0.00 H new ATOM 1072 N SER A 68 -17.297 -6.767 7.395 1.00 0.00 N ATOM 1073 CA SER A 68 -16.853 -8.062 7.876 1.00 0.00 C ATOM 1074 C SER A 68 -18.010 -9.089 7.904 1.00 0.00 C ATOM 1075 O SER A 68 -17.864 -10.212 8.375 1.00 0.00 O ATOM 1076 CB SER A 68 -16.212 -7.876 9.237 1.00 0.00 C ATOM 1077 OG SER A 68 -15.156 -6.908 9.140 1.00 0.00 O ATOM 0 H SER A 68 -17.387 -6.063 8.128 1.00 0.00 H new ATOM 0 HA SER A 68 -16.113 -8.474 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.958 -7.545 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.817 -8.826 9.598 1.00 0.00 H new ATOM 0 HG SER A 68 -14.742 -6.786 10.020 1.00 0.00 H new ATOM 1083 N ASP A 69 -19.150 -8.675 7.371 1.00 0.00 N ATOM 1084 CA ASP A 69 -20.301 -9.542 7.193 1.00 0.00 C ATOM 1085 C ASP A 69 -20.152 -10.261 5.851 1.00 0.00 C ATOM 1086 O ASP A 69 -20.940 -11.141 5.503 1.00 0.00 O ATOM 1087 CB ASP A 69 -21.614 -8.730 7.190 1.00 0.00 C ATOM 1088 CG ASP A 69 -21.839 -7.913 8.450 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -22.441 -8.430 9.434 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.417 -6.719 8.487 1.00 0.00 O ATOM 0 H ASP A 69 -19.302 -7.720 7.048 1.00 0.00 H new ATOM 0 HA ASP A 69 -20.344 -10.254 8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.612 -8.060 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.452 -9.415 7.059 1.00 0.00 H new ATOM 1095 N GLY A 70 -19.148 -9.838 5.080 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.830 -10.455 3.804 1.00 0.00 C ATOM 1097 C GLY A 70 -19.326 -9.656 2.621 1.00 0.00 C ATOM 1098 O GLY A 70 -18.816 -9.786 1.511 1.00 0.00 O ATOM 0 H GLY A 70 -18.538 -9.059 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.750 -10.578 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.267 -11.453 3.770 1.00 0.00 H new ATOM 1102 N SER A 71 -20.300 -8.832 2.857 1.00 0.00 N ATOM 1103 CA SER A 71 -20.899 -8.041 1.809 1.00 0.00 C ATOM 1104 C SER A 71 -20.333 -6.612 1.815 1.00 0.00 C ATOM 1105 O SER A 71 -19.417 -6.300 2.585 1.00 0.00 O ATOM 1106 CB SER A 71 -22.400 -8.038 2.022 1.00 0.00 C ATOM 1107 OG SER A 71 -22.871 -9.373 2.181 1.00 0.00 O ATOM 0 H SER A 71 -20.708 -8.684 3.780 1.00 0.00 H new ATOM 0 HA SER A 71 -20.667 -8.470 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.650 -7.448 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.895 -7.567 1.173 1.00 0.00 H new ATOM 0 HG SER A 71 -23.841 -9.363 2.320 1.00 0.00 H new ATOM 1113 N PHE A 72 -20.856 -5.758 0.968 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.427 -4.375 0.922 1.00 0.00 C ATOM 1115 C PHE A 72 -21.563 -3.489 1.418 1.00 0.00 C ATOM 1116 O PHE A 72 -22.716 -3.725 1.069 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.042 -3.965 -0.516 1.00 0.00 C ATOM 1118 CG PHE A 72 -18.969 -4.816 -1.156 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -17.633 -4.536 -0.963 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -19.308 -5.893 -1.953 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -16.653 -5.317 -1.550 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -18.335 -6.676 -2.544 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.006 -6.387 -2.340 1.00 0.00 C ATOM 0 H PHE A 72 -21.585 -5.996 0.295 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.550 -4.256 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -20.935 -4.002 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -19.704 -2.929 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.348 -3.697 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.350 -6.126 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.610 -5.087 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.618 -7.513 -3.165 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.242 -6.998 -2.798 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.254 -2.506 2.242 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.261 -1.569 2.721 1.00 0.00 C ATOM 1135 C GLN A 73 -21.878 -0.133 2.410 1.00 0.00 C ATOM 1136 O GLN A 73 -20.682 0.183 2.254 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.652 -1.768 4.204 1.00 0.00 C ATOM 1138 CG GLN A 73 -21.522 -1.803 5.213 1.00 0.00 C ATOM 1139 CD GLN A 73 -22.055 -1.903 6.643 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.144 -1.418 6.943 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -21.317 -2.526 7.532 1.00 0.00 N ATOM 0 H GLN A 73 -20.313 -2.333 2.596 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.169 -1.797 2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -23.333 -0.965 4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -23.208 -2.702 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -20.872 -2.653 5.005 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -20.914 -0.904 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -20.416 -2.921 7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -21.644 -2.615 8.494 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.887 0.712 2.311 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.742 2.095 1.902 1.00 0.00 C ATOM 1152 C GLU A 74 -22.009 2.929 2.969 1.00 0.00 C ATOM 1153 O GLU A 74 -22.428 3.009 4.140 1.00 0.00 O ATOM 1154 CB GLU A 74 -24.126 2.684 1.610 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.103 4.011 0.875 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.484 4.584 0.663 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.410 3.834 0.279 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.683 5.792 0.904 1.00 0.00 O ATOM 0 H GLU A 74 -23.851 0.450 2.517 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.134 2.127 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.695 1.966 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.658 2.814 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.501 4.724 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.617 3.878 -0.092 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.934 3.534 2.556 1.00 0.00 N ATOM 1166 CA ALA A 75 -20.110 4.353 3.412 1.00 0.00 C ATOM 1167 C ALA A 75 -19.613 5.572 2.661 1.00 0.00 C ATOM 1168 O ALA A 75 -19.795 5.676 1.447 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.930 3.556 3.916 1.00 0.00 C ATOM 0 H ALA A 75 -20.594 3.474 1.596 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.714 4.679 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.315 4.184 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.287 2.695 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.335 3.213 3.070 1.00 0.00 H new ATOM 1175 N ILE A 76 -19.007 6.494 3.367 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.440 7.688 2.724 1.00 0.00 C ATOM 1177 C ILE A 76 -16.934 7.636 2.879 1.00 0.00 C ATOM 1178 O ILE A 76 -16.451 7.186 3.908 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.876 9.027 3.395 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.362 9.011 3.802 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.593 10.208 2.433 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -21.312 8.739 2.670 1.00 0.00 C ATOM 0 H ILE A 76 -18.886 6.456 4.379 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.790 7.675 1.692 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.293 9.151 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.507 8.254 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.614 9.973 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.898 11.142 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.527 10.247 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -19.154 10.067 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.336 8.746 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -21.200 9.510 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.091 7.764 2.236 1.00 0.00 H new ATOM 1194 N ILE A 77 -16.205 8.080 1.888 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.749 8.167 1.979 1.00 0.00 C ATOM 1196 C ILE A 77 -14.398 9.230 3.023 1.00 0.00 C ATOM 1197 O ILE A 77 -14.860 10.375 2.912 1.00 0.00 O ATOM 1198 CB ILE A 77 -14.133 8.693 0.678 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -14.705 8.032 -0.567 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.609 8.571 0.718 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -14.342 6.636 -0.779 1.00 0.00 C ATOM 0 H ILE A 77 -16.589 8.392 0.996 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.377 7.170 2.213 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.402 9.747 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.792 8.100 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.385 8.605 -1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.189 8.949 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.219 9.152 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.331 7.524 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.808 6.274 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -13.259 6.551 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -14.688 6.038 0.064 1.00 0.00 H new ATOM 1213 N SER A 78 -13.612 8.883 3.993 1.00 0.00 N ATOM 1214 CA SER A 78 -13.164 9.834 4.971 1.00 0.00 C ATOM 1215 C SER A 78 -11.682 10.176 4.764 1.00 0.00 C ATOM 1216 O SER A 78 -11.221 11.265 5.123 1.00 0.00 O ATOM 1217 CB SER A 78 -13.423 9.305 6.378 1.00 0.00 C ATOM 1218 OG SER A 78 -12.930 7.985 6.541 1.00 0.00 O ATOM 0 H SER A 78 -13.261 7.935 4.133 1.00 0.00 H new ATOM 0 HA SER A 78 -13.731 10.756 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.950 9.963 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.494 9.321 6.582 1.00 0.00 H new ATOM 0 HG SER A 78 -12.966 7.737 7.488 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.951 9.258 4.172 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.533 9.441 3.923 1.00 0.00 C ATOM 1226 C LYS A 79 -9.090 8.426 2.883 1.00 0.00 C ATOM 1227 O LYS A 79 -9.815 7.497 2.586 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.732 9.202 5.231 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.288 9.697 5.230 1.00 0.00 C ATOM 1230 CD LYS A 79 -7.206 11.209 5.059 1.00 0.00 C ATOM 1231 CE LYS A 79 -5.774 11.710 5.196 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.207 11.423 6.533 1.00 0.00 N ATOM 0 H LYS A 79 -11.319 8.363 3.849 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.352 10.456 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.261 9.687 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.729 8.133 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.805 9.411 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.738 9.210 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.598 11.487 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.835 11.695 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.153 11.243 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.748 12.785 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.366 12.015 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.917 11.632 7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.939 10.420 6.588 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.940 8.637 2.332 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.297 7.705 1.452 1.00 0.00 C ATOM 1248 C LEU A 80 -5.791 7.773 1.673 1.00 0.00 C ATOM 1249 O LEU A 80 -5.219 8.851 1.788 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.742 7.845 -0.044 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.195 9.232 -0.556 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.121 10.297 -0.404 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.616 9.137 -2.007 1.00 0.00 C ATOM 0 H LEU A 80 -7.401 9.489 2.484 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.626 6.697 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.911 7.517 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.562 7.146 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.040 9.536 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.496 11.249 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.858 10.401 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.237 10.006 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.933 10.119 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.775 8.791 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.443 8.433 -2.101 1.00 0.00 H new ATOM 1265 N THR A 81 -5.195 6.637 1.865 1.00 0.00 N ATOM 1266 CA THR A 81 -3.790 6.518 2.155 1.00 0.00 C ATOM 1267 C THR A 81 -3.157 5.531 1.185 1.00 0.00 C ATOM 1268 O THR A 81 -3.616 4.403 1.059 1.00 0.00 O ATOM 1269 CB THR A 81 -3.643 6.029 3.606 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.376 6.934 4.446 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.188 6.003 4.047 1.00 0.00 C ATOM 0 H THR A 81 -5.680 5.741 1.824 1.00 0.00 H new ATOM 0 HA THR A 81 -3.286 7.478 2.042 1.00 0.00 H new ATOM 0 HB THR A 81 -4.026 5.011 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.302 6.646 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.126 5.652 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.624 5.331 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.770 7.007 3.980 1.00 0.00 H new ATOM 1301 N SER A 84 0.385 0.713 -1.816 1.00 0.00 N ATOM 1302 CA SER A 84 0.975 0.149 -3.006 1.00 0.00 C ATOM 1303 C SER A 84 2.139 -0.800 -2.732 1.00 0.00 C ATOM 1304 O SER A 84 3.252 -0.393 -2.409 1.00 0.00 O ATOM 1305 CB SER A 84 1.344 1.246 -3.964 1.00 0.00 C ATOM 1306 OG SER A 84 0.211 2.039 -4.216 1.00 0.00 O ATOM 0 HA SER A 84 0.217 -0.483 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.144 1.856 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.720 0.821 -4.895 1.00 0.00 H new ATOM 0 HG SER A 84 -0.263 2.209 -3.375 1.00 0.00 H new ATOM 1312 N TRP A 85 1.868 -2.049 -2.875 1.00 0.00 N ATOM 1313 CA TRP A 85 2.865 -3.054 -2.642 1.00 0.00 C ATOM 1314 C TRP A 85 3.643 -3.320 -3.912 1.00 0.00 C ATOM 1315 O TRP A 85 3.067 -3.659 -4.957 1.00 0.00 O ATOM 1316 CB TRP A 85 2.249 -4.345 -2.092 1.00 0.00 C ATOM 1317 CG TRP A 85 1.574 -4.170 -0.759 1.00 0.00 C ATOM 1318 CD1 TRP A 85 0.236 -4.178 -0.516 1.00 0.00 C ATOM 1319 CD2 TRP A 85 2.209 -3.945 0.510 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -0.004 -3.976 0.823 1.00 0.00 N ATOM 1321 CE2 TRP A 85 1.191 -3.831 1.473 1.00 0.00 C ATOM 1322 CE3 TRP A 85 3.539 -3.832 0.925 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 1.460 -3.608 2.820 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 3.805 -3.613 2.261 1.00 0.00 C ATOM 1325 CH2 TRP A 85 2.771 -3.503 3.195 1.00 0.00 C ATOM 0 H TRP A 85 0.956 -2.410 -3.155 1.00 0.00 H new ATOM 0 HA TRP A 85 3.552 -2.679 -1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.523 -4.726 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.030 -5.099 -1.998 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.528 -4.322 -1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.925 -3.940 1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.345 -3.915 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 0.662 -3.521 3.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.830 -3.525 2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 85 3.012 -3.332 4.234 1.00 0.00 H new ATOM 1336 N TYR A 86 4.920 -3.106 -3.844 1.00 0.00 N ATOM 1337 CA TYR A 86 5.792 -3.352 -4.943 1.00 0.00 C ATOM 1338 C TYR A 86 6.696 -4.474 -4.587 1.00 0.00 C ATOM 1339 O TYR A 86 7.531 -4.353 -3.683 1.00 0.00 O ATOM 1340 CB TYR A 86 6.606 -2.104 -5.321 1.00 0.00 C ATOM 1341 CG TYR A 86 5.755 -0.979 -5.837 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.144 -0.106 -4.971 1.00 0.00 C ATOM 1343 CD2 TYR A 86 5.533 -0.816 -7.191 1.00 0.00 C ATOM 1344 CE1 TYR A 86 4.328 0.886 -5.437 1.00 0.00 C ATOM 1345 CE2 TYR A 86 4.727 0.182 -7.653 1.00 0.00 C ATOM 1346 CZ TYR A 86 4.124 1.023 -6.773 1.00 0.00 C ATOM 1347 OH TYR A 86 3.292 1.997 -7.236 1.00 0.00 O ATOM 0 H TYR A 86 5.390 -2.751 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 86 5.192 -3.612 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.160 -1.761 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.341 -2.373 -6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.310 -0.205 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.004 -1.488 -7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.846 1.560 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.569 0.303 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 86 2.927 2.502 -6.480 1.00 0.00 H new ATOM 1357 N THR A 87 6.497 -5.567 -5.226 1.00 0.00 N ATOM 1358 CA THR A 87 7.311 -6.675 -5.028 1.00 0.00 C ATOM 1359 C THR A 87 8.455 -6.568 -6.002 1.00 0.00 C ATOM 1360 O THR A 87 8.281 -6.671 -7.235 1.00 0.00 O ATOM 1361 CB THR A 87 6.531 -7.979 -5.194 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.353 -7.926 -4.355 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.380 -9.138 -4.756 1.00 0.00 C ATOM 0 H THR A 87 5.750 -5.705 -5.907 1.00 0.00 H new ATOM 0 HA THR A 87 7.694 -6.693 -4.008 1.00 0.00 H new ATOM 0 HB THR A 87 6.252 -8.105 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.572 -8.265 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.820 -10.065 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.283 -9.178 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.654 -9.013 -3.708 1.00 0.00 H new ATOM 1371 N VAL A 88 9.584 -6.277 -5.465 1.00 0.00 N ATOM 1372 CA VAL A 88 10.756 -6.056 -6.227 1.00 0.00 C ATOM 1373 C VAL A 88 11.682 -7.249 -6.087 1.00 0.00 C ATOM 1374 O VAL A 88 11.826 -7.831 -4.999 1.00 0.00 O ATOM 1375 CB VAL A 88 11.459 -4.724 -5.812 1.00 0.00 C ATOM 1376 CG1 VAL A 88 10.631 -3.524 -6.218 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.676 -4.682 -4.323 1.00 0.00 C ATOM 0 H VAL A 88 9.721 -6.184 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 88 10.484 -5.950 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 88 12.420 -4.688 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.143 -2.610 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.495 -3.525 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.658 -3.572 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.167 -3.747 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.715 -4.748 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.304 -5.521 -4.023 1.00 0.00 H new ATOM 1387 N VAL A 89 12.288 -7.590 -7.168 1.00 0.00 N ATOM 1388 CA VAL A 89 13.115 -8.758 -7.286 1.00 0.00 C ATOM 1389 C VAL A 89 14.566 -8.343 -7.403 1.00 0.00 C ATOM 1390 O VAL A 89 14.883 -7.353 -8.049 1.00 0.00 O ATOM 1391 CB VAL A 89 12.678 -9.633 -8.520 1.00 0.00 C ATOM 1392 CG1 VAL A 89 12.835 -8.898 -9.858 1.00 0.00 C ATOM 1393 CG2 VAL A 89 13.384 -10.981 -8.546 1.00 0.00 C ATOM 0 H VAL A 89 12.225 -7.050 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 89 12.994 -9.369 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 89 11.613 -9.821 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.518 -9.551 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.219 -7.999 -9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.880 -8.621 -10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.051 -11.549 -9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.461 -10.826 -8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.146 -11.534 -7.637 1.00 0.00 H new ATOM 1403 N PHE A 90 15.428 -9.059 -6.763 1.00 0.00 N ATOM 1404 CA PHE A 90 16.829 -8.743 -6.817 1.00 0.00 C ATOM 1405 C PHE A 90 17.463 -9.494 -7.947 1.00 0.00 C ATOM 1406 O PHE A 90 16.845 -10.396 -8.533 1.00 0.00 O ATOM 1407 CB PHE A 90 17.537 -9.167 -5.537 1.00 0.00 C ATOM 1408 CG PHE A 90 16.977 -8.600 -4.290 1.00 0.00 C ATOM 1409 CD1 PHE A 90 17.110 -7.259 -3.998 1.00 0.00 C ATOM 1410 CD2 PHE A 90 16.339 -9.418 -3.392 1.00 0.00 C ATOM 1411 CE1 PHE A 90 16.613 -6.748 -2.832 1.00 0.00 C ATOM 1412 CE2 PHE A 90 15.843 -8.918 -2.234 1.00 0.00 C ATOM 1413 CZ PHE A 90 15.978 -7.581 -1.947 1.00 0.00 C ATOM 0 H PHE A 90 15.193 -9.871 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 90 16.922 -7.665 -6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 90 17.508 -10.254 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 90 18.586 -8.880 -5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 90 17.612 -6.606 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 90 16.231 -10.470 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.720 -5.697 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.341 -9.571 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 90 15.583 -7.186 -1.023 1.00 0.00 H new ATOM 1423 N ASP A 91 18.709 -9.185 -8.202 1.00 0.00 N ATOM 1424 CA ASP A 91 19.525 -9.903 -9.184 1.00 0.00 C ATOM 1425 C ASP A 91 19.783 -11.344 -8.718 1.00 0.00 C ATOM 1426 O ASP A 91 20.246 -12.189 -9.483 1.00 0.00 O ATOM 1427 CB ASP A 91 20.853 -9.174 -9.435 1.00 0.00 C ATOM 1428 CG ASP A 91 21.671 -8.968 -8.181 1.00 0.00 C ATOM 1429 OD1 ASP A 91 22.461 -9.856 -7.803 1.00 0.00 O ATOM 1430 OD2 ASP A 91 21.536 -7.902 -7.546 1.00 0.00 O ATOM 0 H ASP A 91 19.202 -8.423 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 91 18.973 -9.934 -10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 91 21.441 -9.744 -10.154 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.647 -8.205 -9.889 1.00 0.00 H new ATOM 1435 N ASP A 92 19.465 -11.601 -7.447 1.00 0.00 N ATOM 1436 CA ASP A 92 19.555 -12.936 -6.846 1.00 0.00 C ATOM 1437 C ASP A 92 18.388 -13.808 -7.319 1.00 0.00 C ATOM 1438 O ASP A 92 18.440 -15.022 -7.250 1.00 0.00 O ATOM 1439 CB ASP A 92 19.523 -12.816 -5.303 1.00 0.00 C ATOM 1440 CG ASP A 92 19.500 -14.163 -4.575 1.00 0.00 C ATOM 1441 OD1 ASP A 92 20.565 -14.820 -4.474 1.00 0.00 O ATOM 1442 OD2 ASP A 92 18.434 -14.568 -4.065 1.00 0.00 O ATOM 0 H ASP A 92 19.135 -10.884 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 92 20.492 -13.400 -7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.396 -12.252 -4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.644 -12.242 -5.011 1.00 0.00 H new ATOM 1447 N GLY A 93 17.354 -13.175 -7.836 1.00 0.00 N ATOM 1448 CA GLY A 93 16.209 -13.913 -8.328 1.00 0.00 C ATOM 1449 C GLY A 93 15.093 -14.013 -7.310 1.00 0.00 C ATOM 1450 O GLY A 93 13.996 -14.463 -7.626 1.00 0.00 O ATOM 0 H GLY A 93 17.283 -12.161 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.831 -13.429 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.525 -14.916 -8.614 1.00 0.00 H new ATOM 1454 N ASP A 94 15.377 -13.630 -6.085 1.00 0.00 N ATOM 1455 CA ASP A 94 14.375 -13.649 -5.021 1.00 0.00 C ATOM 1456 C ASP A 94 13.782 -12.244 -4.879 1.00 0.00 C ATOM 1457 O ASP A 94 14.402 -11.270 -5.338 1.00 0.00 O ATOM 1458 CB ASP A 94 15.003 -14.150 -3.715 1.00 0.00 C ATOM 1459 CG ASP A 94 14.006 -14.421 -2.603 1.00 0.00 C ATOM 1460 OD1 ASP A 94 12.788 -14.484 -2.849 1.00 0.00 O ATOM 1461 OD2 ASP A 94 14.433 -14.566 -1.443 1.00 0.00 O ATOM 0 H ASP A 94 16.296 -13.299 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 94 13.567 -14.338 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.557 -15.066 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 94 15.725 -13.412 -3.367 1.00 0.00 H new ATOM 1466 N GLU A 95 12.629 -12.119 -4.249 1.00 0.00 N ATOM 1467 CA GLU A 95 11.908 -10.859 -4.230 1.00 0.00 C ATOM 1468 C GLU A 95 11.321 -10.530 -2.846 1.00 0.00 C ATOM 1469 O GLU A 95 11.177 -11.416 -1.993 1.00 0.00 O ATOM 1470 CB GLU A 95 10.804 -10.938 -5.290 1.00 0.00 C ATOM 1471 CG GLU A 95 9.774 -12.032 -5.028 1.00 0.00 C ATOM 1472 CD GLU A 95 8.955 -12.374 -6.246 1.00 0.00 C ATOM 1473 OE1 GLU A 95 7.892 -11.773 -6.485 1.00 0.00 O ATOM 1474 OE2 GLU A 95 9.359 -13.279 -6.988 1.00 0.00 O ATOM 0 H GLU A 95 12.170 -12.876 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 95 12.603 -10.049 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.293 -9.976 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.261 -11.109 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.286 -12.928 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.108 -11.712 -4.227 1.00 0.00 H new ATOM 1481 N ARG A 96 11.067 -9.243 -2.612 1.00 0.00 N ATOM 1482 CA ARG A 96 10.379 -8.742 -1.393 1.00 0.00 C ATOM 1483 C ARG A 96 9.253 -7.825 -1.777 1.00 0.00 C ATOM 1484 O ARG A 96 9.319 -7.159 -2.803 1.00 0.00 O ATOM 1485 CB ARG A 96 11.282 -7.956 -0.413 1.00 0.00 C ATOM 1486 CG ARG A 96 12.170 -8.772 0.490 1.00 0.00 C ATOM 1487 CD ARG A 96 13.226 -9.456 -0.281 1.00 0.00 C ATOM 1488 NE ARG A 96 14.101 -10.240 0.561 1.00 0.00 N ATOM 1489 CZ ARG A 96 14.339 -11.530 0.386 1.00 0.00 C ATOM 1490 NH1 ARG A 96 13.597 -12.228 -0.465 1.00 0.00 N ATOM 1491 NH2 ARG A 96 15.266 -12.138 1.110 1.00 0.00 N ATOM 0 H ARG A 96 11.330 -8.501 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 96 10.037 -9.643 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.913 -7.285 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.644 -7.331 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.624 -8.125 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.571 -9.509 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.766 -10.105 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.815 -8.715 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 96 14.564 -9.770 1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.846 -11.770 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.778 -13.222 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.798 -11.612 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.448 -13.132 0.974 1.00 0.00 H new ATOM 1505 N THR A 97 8.252 -7.773 -0.951 1.00 0.00 N ATOM 1506 CA THR A 97 7.126 -6.922 -1.147 1.00 0.00 C ATOM 1507 C THR A 97 7.252 -5.690 -0.227 1.00 0.00 C ATOM 1508 O THR A 97 7.259 -5.806 1.008 1.00 0.00 O ATOM 1509 CB THR A 97 5.845 -7.715 -0.866 1.00 0.00 C ATOM 1510 OG1 THR A 97 5.834 -8.876 -1.726 1.00 0.00 O ATOM 1511 CG2 THR A 97 4.617 -6.880 -1.148 1.00 0.00 C ATOM 0 H THR A 97 8.198 -8.336 -0.102 1.00 0.00 H new ATOM 0 HA THR A 97 7.086 -6.567 -2.177 1.00 0.00 H new ATOM 0 HB THR A 97 5.828 -8.005 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.022 -9.398 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 97 3.722 -7.467 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.625 -5.994 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.616 -6.576 -2.195 1.00 0.00 H new ATOM 1519 N LEU A 98 7.416 -4.543 -0.840 1.00 0.00 N ATOM 1520 CA LEU A 98 7.640 -3.280 -0.146 1.00 0.00 C ATOM 1521 C LEU A 98 6.472 -2.334 -0.351 1.00 0.00 C ATOM 1522 O LEU A 98 5.626 -2.564 -1.205 1.00 0.00 O ATOM 1523 CB LEU A 98 8.878 -2.576 -0.719 1.00 0.00 C ATOM 1524 CG LEU A 98 10.282 -3.093 -0.408 1.00 0.00 C ATOM 1525 CD1 LEU A 98 10.586 -3.030 1.082 1.00 0.00 C ATOM 1526 CD2 LEU A 98 10.500 -4.485 -0.928 1.00 0.00 C ATOM 0 H LEU A 98 7.399 -4.450 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 98 7.766 -3.512 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.771 -2.571 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.838 -1.538 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 98 10.976 -2.432 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.593 -3.406 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.517 -1.997 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.866 -3.642 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.511 -4.810 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.780 -5.162 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.367 -4.494 -2.010 1.00 0.00 H new ATOM 1538 N ARG A 99 6.454 -1.263 0.419 1.00 0.00 N ATOM 1539 CA ARG A 99 5.485 -0.196 0.245 1.00 0.00 C ATOM 1540 C ARG A 99 6.113 0.789 -0.747 1.00 0.00 C ATOM 1541 O ARG A 99 7.340 0.808 -0.865 1.00 0.00 O ATOM 1542 CB ARG A 99 5.233 0.519 1.600 1.00 0.00 C ATOM 1543 CG ARG A 99 4.157 1.597 1.541 1.00 0.00 C ATOM 1544 CD ARG A 99 4.042 2.408 2.824 1.00 0.00 C ATOM 1545 NE ARG A 99 2.964 3.410 2.712 1.00 0.00 N ATOM 1546 CZ ARG A 99 3.022 4.695 3.119 1.00 0.00 C ATOM 1547 NH1 ARG A 99 4.100 5.168 3.754 1.00 0.00 N ATOM 1548 NH2 ARG A 99 1.989 5.498 2.891 1.00 0.00 N ATOM 0 H ARG A 99 7.111 -1.107 1.184 1.00 0.00 H new ATOM 0 HA ARG A 99 4.531 -0.580 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.947 -0.225 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.165 0.969 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.374 2.271 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.196 1.129 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.841 1.743 3.664 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.989 2.907 3.031 1.00 0.00 H new ATOM 0 HE ARG A 99 2.090 3.101 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.894 4.555 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.128 6.142 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.162 5.142 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.023 6.471 3.195 1.00 0.00 H new ATOM 1562 N ARG A 100 5.307 1.600 -1.437 1.00 0.00 N ATOM 1563 CA ARG A 100 5.808 2.586 -2.430 1.00 0.00 C ATOM 1564 C ARG A 100 6.947 3.454 -1.843 1.00 0.00 C ATOM 1565 O ARG A 100 7.926 3.770 -2.525 1.00 0.00 O ATOM 1566 CB ARG A 100 4.623 3.480 -2.934 1.00 0.00 C ATOM 1567 CG ARG A 100 4.924 4.395 -4.150 1.00 0.00 C ATOM 1568 CD ARG A 100 5.755 5.621 -3.784 1.00 0.00 C ATOM 1569 NE ARG A 100 6.240 6.347 -4.958 1.00 0.00 N ATOM 1570 CZ ARG A 100 7.540 6.431 -5.313 1.00 0.00 C ATOM 1571 NH1 ARG A 100 8.479 5.764 -4.625 1.00 0.00 N ATOM 1572 NH2 ARG A 100 7.902 7.151 -6.370 1.00 0.00 N ATOM 0 H ARG A 100 4.292 1.601 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 100 6.224 2.040 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.789 2.828 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.292 4.108 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.453 3.818 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.983 4.720 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.154 6.292 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.606 5.310 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 100 5.553 6.819 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.213 5.188 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.459 5.833 -4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.196 7.644 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.886 7.211 -6.634 1.00 0.00 H new ATOM 1586 N THR A 101 6.814 3.801 -0.597 1.00 0.00 N ATOM 1587 CA THR A 101 7.746 4.669 0.082 1.00 0.00 C ATOM 1588 C THR A 101 9.045 3.921 0.530 1.00 0.00 C ATOM 1589 O THR A 101 9.964 4.533 1.039 1.00 0.00 O ATOM 1590 CB THR A 101 7.028 5.297 1.292 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.716 5.705 0.862 1.00 0.00 O ATOM 1592 CG2 THR A 101 7.766 6.530 1.810 1.00 0.00 C ATOM 0 H THR A 101 6.043 3.486 -0.008 1.00 0.00 H new ATOM 0 HA THR A 101 8.071 5.444 -0.612 1.00 0.00 H new ATOM 0 HB THR A 101 6.987 4.561 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.235 6.108 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.229 6.944 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.773 6.249 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.824 7.278 1.020 1.00 0.00 H new ATOM 1600 N SER A 102 9.125 2.605 0.320 1.00 0.00 N ATOM 1601 CA SER A 102 10.309 1.884 0.681 1.00 0.00 C ATOM 1602 C SER A 102 11.162 1.700 -0.573 1.00 0.00 C ATOM 1603 O SER A 102 12.205 1.030 -0.559 1.00 0.00 O ATOM 1604 CB SER A 102 9.913 0.552 1.282 1.00 0.00 C ATOM 1605 OG SER A 102 8.961 0.741 2.327 1.00 0.00 O ATOM 0 H SER A 102 8.385 2.039 -0.094 1.00 0.00 H new ATOM 0 HA SER A 102 10.891 2.430 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.492 -0.092 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.796 0.045 1.673 1.00 0.00 H new ATOM 0 HG SER A 102 8.713 -0.129 2.705 1.00 0.00 H new ATOM 1611 N LEU A 103 10.699 2.327 -1.640 1.00 0.00 N ATOM 1612 CA LEU A 103 11.347 2.331 -2.915 1.00 0.00 C ATOM 1613 C LEU A 103 11.832 3.711 -3.223 1.00 0.00 C ATOM 1614 O LEU A 103 11.200 4.703 -2.856 1.00 0.00 O ATOM 1615 CB LEU A 103 10.390 1.921 -4.048 1.00 0.00 C ATOM 1616 CG LEU A 103 10.109 0.434 -4.273 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.405 -0.189 -3.112 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.307 0.245 -5.537 1.00 0.00 C ATOM 0 H LEU A 103 9.831 2.862 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 103 12.168 1.616 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.435 2.414 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 103 10.787 2.326 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 103 11.070 -0.070 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.227 -1.244 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.021 -0.093 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.452 0.315 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.112 -0.817 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.361 0.779 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.868 0.636 -6.386 1.00 0.00 H new ATOM 1630 N CYS A 104 12.935 3.771 -3.872 1.00 0.00 N ATOM 1631 CA CYS A 104 13.451 4.991 -4.371 1.00 0.00 C ATOM 1632 C CYS A 104 13.894 4.795 -5.803 1.00 0.00 C ATOM 1633 O CYS A 104 14.951 4.212 -6.082 1.00 0.00 O ATOM 1634 CB CYS A 104 14.529 5.597 -3.450 1.00 0.00 C ATOM 1635 SG CYS A 104 15.819 4.464 -2.889 1.00 0.00 S ATOM 0 H CYS A 104 13.516 2.958 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 104 12.662 5.743 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 104 15.004 6.425 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 104 14.036 6.017 -2.573 1.00 0.00 H new ATOM 0 HG CYS A 104 15.413 3.238 -3.036 1.00 0.00 H new