USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot 180:sc= 0.192 USER MOD Set 1.2: A 102 ASN : amide:sc= 0.143 K(o=0.33,f=1.8) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.688 USER MOD Set 2.2: A 100 THR OG1 : rot -86:sc= 0.78 USER MOD Set 3.1: A 57 GLN : amide:sc= 0 K(o=-3.3,f=-0.2) USER MOD Set 3.2: A 59 ASN : amide:sc= -3.33! K(o=-3.3!,f=-0.2) USER MOD Single : A 13 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.646) USER MOD Single : A 17 MET CE :methyl 161:sc= 0 (180deg=-0.482) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0318 (180deg=-0.271) USER MOD Single : A 23 GLN : amide:sc= -2.87 K(o=-2.9,f=-0.76) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc=-0.00011 (180deg=-0.0789) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 38 GLN : amide:sc= -0.965 X(o=-0.96,f=-0.94) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.78) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 MET CE :methyl -158:sc= -0.0906 (180deg=-0.533) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0011 USER MOD Single : A 67 GLN : amide:sc= -0.703 K(o=-0.7,f=-2.2!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.685 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 0.802 (180deg=0.476) USER MOD Single : A 81 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.063) USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.451) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -15:sc= -0.0347 USER MOD Single : A 94 ASN : amide:sc= -5.01! C(o=-5!,f=-15!) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.344 USER MOD Single : A 101 CYS SG : rot 130:sc= -1.35 USER MOD Single : A 103 THR OG1 : rot 166:sc= -2.3! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 17.038 -17.102 7.117 1.00 61.53 N ATOM 198 CA LYS A 13 16.303 -16.110 6.315 1.00 20.33 C ATOM 199 C LYS A 13 14.877 -16.600 6.006 1.00 4.23 C ATOM 200 O LYS A 13 14.620 -17.805 5.955 1.00 10.52 O ATOM 201 CB LYS A 13 17.058 -15.796 5.014 1.00 4.31 C ATOM 202 CG LYS A 13 18.446 -15.202 5.248 1.00 21.15 C ATOM 203 CD LYS A 13 19.088 -14.688 3.960 1.00 63.33 C ATOM 204 CE LYS A 13 19.305 -15.796 2.933 1.00 65.24 C ATOM 205 NZ LYS A 13 20.054 -15.301 1.745 1.00 22.33 N ATOM 0 HA LYS A 13 16.228 -15.193 6.900 1.00 20.33 H new ATOM 0 HB2 LYS A 13 17.156 -16.711 4.429 1.00 4.31 H new ATOM 0 HB3 LYS A 13 16.468 -15.099 4.419 1.00 4.31 H new ATOM 0 HG2 LYS A 13 18.371 -14.384 5.964 1.00 21.15 H new ATOM 0 HG3 LYS A 13 19.091 -15.959 5.695 1.00 21.15 H new ATOM 0 HD2 LYS A 13 18.455 -13.914 3.526 1.00 63.33 H new ATOM 0 HD3 LYS A 13 20.045 -14.223 4.195 1.00 63.33 H new ATOM 0 HE2 LYS A 13 19.853 -16.618 3.393 1.00 65.24 H new ATOM 0 HE3 LYS A 13 18.341 -16.194 2.617 1.00 65.24 H new ATOM 0 HZ1 LYS A 13 19.579 -15.622 0.877 1.00 22.33 H new ATOM 0 HZ2 LYS A 13 20.082 -14.261 1.761 1.00 22.33 H new ATOM 0 HZ3 LYS A 13 21.025 -15.674 1.767 1.00 22.33 H new ATOM 219 N ARG A 14 13.955 -15.660 5.793 1.00 24.24 N ATOM 220 CA ARG A 14 12.532 -15.984 5.610 1.00 33.43 C ATOM 221 C ARG A 14 11.891 -15.181 4.458 1.00 33.32 C ATOM 222 O ARG A 14 12.041 -13.959 4.377 1.00 72.14 O ATOM 223 CB ARG A 14 11.776 -15.706 6.920 1.00 34.34 C ATOM 224 CG ARG A 14 10.263 -15.894 6.833 1.00 31.22 C ATOM 225 CD ARG A 14 9.880 -17.338 6.530 1.00 13.42 C ATOM 226 NE ARG A 14 8.436 -17.498 6.398 1.00 62.33 N ATOM 227 CZ ARG A 14 7.730 -18.381 7.054 1.00 54.31 C ATOM 228 NH1 ARG A 14 8.298 -19.179 7.903 1.00 44.32 N ATOM 229 NH2 ARG A 14 6.452 -18.457 6.863 1.00 30.44 N ATOM 0 H ARG A 14 14.166 -14.663 5.742 1.00 24.24 H new ATOM 0 HA ARG A 14 12.463 -17.039 5.347 1.00 33.43 H new ATOM 0 HB2 ARG A 14 12.167 -16.364 7.696 1.00 34.34 H new ATOM 0 HB3 ARG A 14 11.984 -14.683 7.234 1.00 34.34 H new ATOM 0 HG2 ARG A 14 9.806 -15.588 7.774 1.00 31.22 H new ATOM 0 HG3 ARG A 14 9.861 -15.243 6.057 1.00 31.22 H new ATOM 0 HD2 ARG A 14 10.367 -17.658 5.609 1.00 13.42 H new ATOM 0 HD3 ARG A 14 10.247 -17.986 7.326 1.00 13.42 H new ATOM 0 HE ARG A 14 7.945 -16.880 5.751 1.00 62.33 H new ATOM 0 HH11 ARG A 14 9.304 -19.121 8.064 1.00 44.32 H new ATOM 0 HH12 ARG A 14 7.739 -19.865 8.411 1.00 44.32 H new ATOM 0 HH21 ARG A 14 5.997 -17.828 6.201 1.00 30.44 H new ATOM 0 HH22 ARG A 14 5.900 -19.146 7.374 1.00 30.44 H new ATOM 243 N ALA A 15 11.167 -15.882 3.583 1.00 31.51 N ATOM 244 CA ALA A 15 10.437 -15.246 2.474 1.00 4.43 C ATOM 245 C ALA A 15 9.200 -14.466 2.973 1.00 12.50 C ATOM 246 O ALA A 15 8.586 -14.844 3.972 1.00 14.21 O ATOM 247 CB ALA A 15 10.026 -16.305 1.454 1.00 31.11 C ATOM 0 H ALA A 15 11.068 -16.897 3.618 1.00 31.51 H new ATOM 0 HA ALA A 15 11.103 -14.525 2.000 1.00 4.43 H new ATOM 0 HB1 ALA A 15 9.486 -15.831 0.635 1.00 31.11 H new ATOM 0 HB2 ALA A 15 10.916 -16.799 1.064 1.00 31.11 H new ATOM 0 HB3 ALA A 15 9.382 -17.042 1.934 1.00 31.11 H new ATOM 253 N PRO A 16 8.816 -13.374 2.274 1.00 1.42 N ATOM 254 CA PRO A 16 7.680 -12.519 2.680 1.00 54.51 C ATOM 255 C PRO A 16 6.303 -13.178 2.480 1.00 12.55 C ATOM 256 O PRO A 16 6.035 -13.800 1.449 1.00 61.03 O ATOM 257 CB PRO A 16 7.829 -11.293 1.770 1.00 12.44 C ATOM 258 CG PRO A 16 8.506 -11.817 0.550 1.00 21.52 C ATOM 259 CD PRO A 16 9.453 -12.883 1.036 1.00 53.41 C ATOM 0 HA PRO A 16 7.711 -12.298 3.747 1.00 54.51 H new ATOM 0 HB2 PRO A 16 6.860 -10.856 1.530 1.00 12.44 H new ATOM 0 HB3 PRO A 16 8.421 -10.513 2.248 1.00 12.44 H new ATOM 0 HG2 PRO A 16 7.782 -12.228 -0.154 1.00 21.52 H new ATOM 0 HG3 PRO A 16 9.043 -11.024 0.029 1.00 21.52 H new ATOM 0 HD2 PRO A 16 9.570 -13.680 0.302 1.00 53.41 H new ATOM 0 HD3 PRO A 16 10.447 -12.479 1.229 1.00 53.41 H new ATOM 267 N MET A 17 5.431 -13.016 3.477 1.00 32.53 N ATOM 268 CA MET A 17 4.071 -13.569 3.438 1.00 34.00 C ATOM 269 C MET A 17 3.028 -12.548 3.930 1.00 20.20 C ATOM 270 O MET A 17 3.138 -12.023 5.041 1.00 1.23 O ATOM 271 CB MET A 17 4.009 -14.844 4.298 1.00 53.20 C ATOM 272 CG MET A 17 2.596 -15.340 4.587 1.00 22.23 C ATOM 273 SD MET A 17 1.641 -15.652 3.089 1.00 51.05 S ATOM 274 CE MET A 17 0.057 -16.097 3.804 1.00 60.22 C ATOM 0 H MET A 17 5.644 -12.501 4.331 1.00 32.53 H new ATOM 0 HA MET A 17 3.832 -13.811 2.402 1.00 34.00 H new ATOM 0 HB2 MET A 17 4.563 -15.636 3.793 1.00 53.20 H new ATOM 0 HB3 MET A 17 4.515 -14.654 5.244 1.00 53.20 H new ATOM 0 HG2 MET A 17 2.651 -16.257 5.174 1.00 22.23 H new ATOM 0 HG3 MET A 17 2.075 -14.602 5.197 1.00 22.23 H new ATOM 0 HE1 MET A 17 -0.724 -15.993 3.051 1.00 60.22 H new ATOM 0 HE2 MET A 17 0.092 -17.130 4.151 1.00 60.22 H new ATOM 0 HE3 MET A 17 -0.160 -15.439 4.645 1.00 60.22 H new ATOM 284 N PHE A 18 2.021 -12.273 3.099 1.00 54.34 N ATOM 285 CA PHE A 18 0.906 -11.399 3.492 1.00 73.42 C ATOM 286 C PHE A 18 -0.016 -12.098 4.500 1.00 21.24 C ATOM 287 O PHE A 18 -0.787 -12.989 4.136 1.00 72.12 O ATOM 288 CB PHE A 18 0.073 -10.972 2.269 1.00 52.52 C ATOM 289 CG PHE A 18 0.654 -9.829 1.469 1.00 3.15 C ATOM 290 CD1 PHE A 18 0.362 -8.513 1.805 1.00 41.21 C ATOM 291 CD2 PHE A 18 1.469 -10.069 0.374 1.00 10.21 C ATOM 292 CE1 PHE A 18 0.873 -7.464 1.066 1.00 15.24 C ATOM 293 CE2 PHE A 18 1.985 -9.021 -0.367 1.00 12.11 C ATOM 294 CZ PHE A 18 1.686 -7.719 -0.022 1.00 25.23 C ATOM 0 H PHE A 18 1.952 -12.641 2.150 1.00 54.34 H new ATOM 0 HA PHE A 18 1.345 -10.515 3.955 1.00 73.42 H new ATOM 0 HB2 PHE A 18 -0.046 -11.833 1.611 1.00 52.52 H new ATOM 0 HB3 PHE A 18 -0.924 -10.689 2.608 1.00 52.52 H new ATOM 0 HD1 PHE A 18 -0.272 -8.308 2.655 1.00 41.21 H new ATOM 0 HD2 PHE A 18 1.704 -11.086 0.096 1.00 10.21 H new ATOM 0 HE1 PHE A 18 0.637 -6.446 1.338 1.00 15.24 H new ATOM 0 HE2 PHE A 18 2.622 -9.222 -1.216 1.00 12.11 H new ATOM 0 HZ PHE A 18 2.087 -6.900 -0.601 1.00 25.23 H new ATOM 304 N ILE A 19 0.068 -11.694 5.762 1.00 1.20 N ATOM 305 CA ILE A 19 -0.831 -12.218 6.796 1.00 20.44 C ATOM 306 C ILE A 19 -2.227 -11.590 6.651 1.00 0.32 C ATOM 307 O ILE A 19 -3.252 -12.236 6.884 1.00 24.02 O ATOM 308 CB ILE A 19 -0.282 -11.934 8.219 1.00 24.43 C ATOM 309 CG1 ILE A 19 1.201 -12.340 8.317 1.00 54.03 C ATOM 310 CG2 ILE A 19 -1.112 -12.679 9.269 1.00 42.43 C ATOM 311 CD1 ILE A 19 1.837 -12.006 9.652 1.00 63.41 C ATOM 0 H ILE A 19 0.745 -11.009 6.098 1.00 1.20 H new ATOM 0 HA ILE A 19 -0.898 -13.298 6.662 1.00 20.44 H new ATOM 0 HB ILE A 19 -0.359 -10.864 8.412 1.00 24.43 H new ATOM 0 HG12 ILE A 19 1.287 -13.412 8.141 1.00 54.03 H new ATOM 0 HG13 ILE A 19 1.758 -11.841 7.524 1.00 54.03 H new ATOM 0 HG21 ILE A 19 -0.715 -12.470 10.262 1.00 42.43 H new ATOM 0 HG22 ILE A 19 -2.149 -12.347 9.216 1.00 42.43 H new ATOM 0 HG23 ILE A 19 -1.064 -13.751 9.077 1.00 42.43 H new ATOM 0 HD11 ILE A 19 2.881 -12.321 9.647 1.00 63.41 H new ATOM 0 HD12 ILE A 19 1.783 -10.931 9.822 1.00 63.41 H new ATOM 0 HD13 ILE A 19 1.305 -12.526 10.449 1.00 63.41 H new ATOM 323 N TYR A 20 -2.245 -10.315 6.268 1.00 32.32 N ATOM 324 CA TYR A 20 -3.489 -9.597 5.964 1.00 61.00 C ATOM 325 C TYR A 20 -3.340 -8.824 4.651 1.00 41.31 C ATOM 326 O TYR A 20 -2.271 -8.279 4.367 1.00 53.22 O ATOM 327 CB TYR A 20 -3.846 -8.601 7.080 1.00 31.44 C ATOM 328 CG TYR A 20 -4.025 -9.215 8.455 1.00 42.04 C ATOM 329 CD1 TYR A 20 -5.268 -9.667 8.890 1.00 35.30 C ATOM 330 CD2 TYR A 20 -2.950 -9.327 9.326 1.00 1.31 C ATOM 331 CE1 TYR A 20 -5.427 -10.210 10.152 1.00 4.22 C ATOM 332 CE2 TYR A 20 -3.100 -9.870 10.584 1.00 73.41 C ATOM 333 CZ TYR A 20 -4.340 -10.310 10.994 1.00 51.24 C ATOM 334 OH TYR A 20 -4.490 -10.845 12.251 1.00 52.43 O ATOM 0 H TYR A 20 -1.403 -9.749 6.159 1.00 32.32 H new ATOM 0 HA TYR A 20 -4.284 -10.338 5.880 1.00 61.00 H new ATOM 0 HB2 TYR A 20 -3.063 -7.845 7.136 1.00 31.44 H new ATOM 0 HB3 TYR A 20 -4.767 -8.086 6.806 1.00 31.44 H new ATOM 0 HD1 TYR A 20 -6.121 -9.592 8.232 1.00 35.30 H new ATOM 0 HD2 TYR A 20 -1.976 -8.982 9.012 1.00 1.31 H new ATOM 0 HE1 TYR A 20 -6.398 -10.554 10.476 1.00 4.22 H new ATOM 0 HE2 TYR A 20 -2.250 -9.950 11.245 1.00 73.41 H new ATOM 0 HH TYR A 20 -3.626 -10.843 12.713 1.00 52.43 H new ATOM 344 N LYS A 21 -4.396 -8.785 3.851 1.00 61.54 N ATOM 345 CA LYS A 21 -4.430 -7.923 2.666 1.00 45.03 C ATOM 346 C LYS A 21 -5.139 -6.598 3.003 1.00 45.40 C ATOM 347 O LYS A 21 -6.144 -6.598 3.720 1.00 31.02 O ATOM 348 CB LYS A 21 -5.153 -8.626 1.503 1.00 3.51 C ATOM 349 CG LYS A 21 -6.648 -8.812 1.740 1.00 55.44 C ATOM 350 CD LYS A 21 -7.337 -9.552 0.601 1.00 55.24 C ATOM 351 CE LYS A 21 -8.842 -9.635 0.834 1.00 23.15 C ATOM 352 NZ LYS A 21 -9.172 -10.252 2.149 1.00 63.34 N ATOM 0 H LYS A 21 -5.242 -9.337 3.996 1.00 61.54 H new ATOM 0 HA LYS A 21 -3.405 -7.715 2.359 1.00 45.03 H new ATOM 0 HB2 LYS A 21 -5.007 -8.046 0.591 1.00 3.51 H new ATOM 0 HB3 LYS A 21 -4.695 -9.601 1.337 1.00 3.51 H new ATOM 0 HG2 LYS A 21 -6.799 -9.362 2.669 1.00 55.44 H new ATOM 0 HG3 LYS A 21 -7.115 -7.836 1.869 1.00 55.44 H new ATOM 0 HD2 LYS A 21 -7.139 -9.041 -0.341 1.00 55.24 H new ATOM 0 HD3 LYS A 21 -6.923 -10.557 0.512 1.00 55.24 H new ATOM 0 HE2 LYS A 21 -9.272 -8.634 0.785 1.00 23.15 H new ATOM 0 HE3 LYS A 21 -9.301 -10.218 0.035 1.00 23.15 H new ATOM 0 HZ1 LYS A 21 -10.190 -10.460 2.189 1.00 63.34 H new ATOM 0 HZ2 LYS A 21 -8.634 -11.135 2.263 1.00 63.34 H new ATOM 0 HZ3 LYS A 21 -8.923 -9.593 2.914 1.00 63.34 H new ATOM 366 N PRO A 22 -4.623 -5.451 2.519 1.00 44.42 N ATOM 367 CA PRO A 22 -5.248 -4.139 2.771 1.00 50.12 C ATOM 368 C PRO A 22 -6.731 -4.099 2.348 1.00 0.52 C ATOM 369 O PRO A 22 -7.107 -4.622 1.297 1.00 13.54 O ATOM 370 CB PRO A 22 -4.401 -3.156 1.938 1.00 63.44 C ATOM 371 CG PRO A 22 -3.589 -4.007 1.013 1.00 42.53 C ATOM 372 CD PRO A 22 -3.400 -5.328 1.707 1.00 20.21 C ATOM 0 HA PRO A 22 -5.261 -3.895 3.833 1.00 50.12 H new ATOM 0 HB2 PRO A 22 -5.036 -2.467 1.381 1.00 63.44 H new ATOM 0 HB3 PRO A 22 -3.759 -2.551 2.579 1.00 63.44 H new ATOM 0 HG2 PRO A 22 -4.099 -4.139 0.059 1.00 42.53 H new ATOM 0 HG3 PRO A 22 -2.628 -3.540 0.799 1.00 42.53 H new ATOM 0 HD2 PRO A 22 -3.303 -6.148 0.995 1.00 20.21 H new ATOM 0 HD3 PRO A 22 -2.502 -5.335 2.325 1.00 20.21 H new ATOM 380 N GLN A 23 -7.568 -3.463 3.168 1.00 4.24 N ATOM 381 CA GLN A 23 -9.021 -3.460 2.948 1.00 10.41 C ATOM 382 C GLN A 23 -9.462 -2.263 2.094 1.00 20.15 C ATOM 383 O GLN A 23 -9.009 -1.137 2.301 1.00 21.25 O ATOM 384 CB GLN A 23 -9.768 -3.427 4.297 1.00 23.11 C ATOM 385 CG GLN A 23 -9.491 -4.621 5.211 1.00 45.11 C ATOM 386 CD GLN A 23 -8.092 -4.621 5.824 1.00 3.41 C ATOM 387 OE1 GLN A 23 -7.518 -5.672 6.081 1.00 73.23 O ATOM 388 NE2 GLN A 23 -7.539 -3.450 6.093 1.00 32.04 N ATOM 0 H GLN A 23 -7.268 -2.942 3.992 1.00 4.24 H new ATOM 0 HA GLN A 23 -9.270 -4.376 2.412 1.00 10.41 H new ATOM 0 HB2 GLN A 23 -9.497 -2.513 4.825 1.00 23.11 H new ATOM 0 HB3 GLN A 23 -10.839 -3.377 4.102 1.00 23.11 H new ATOM 0 HG2 GLN A 23 -10.228 -4.630 6.014 1.00 45.11 H new ATOM 0 HG3 GLN A 23 -9.628 -5.541 4.642 1.00 45.11 H new ATOM 0 HE21 GLN A 23 -8.036 -2.588 5.870 1.00 32.04 H new ATOM 0 HE22 GLN A 23 -6.615 -3.409 6.524 1.00 32.04 H new ATOM 397 N SER A 24 -10.360 -2.514 1.142 1.00 62.14 N ATOM 398 CA SER A 24 -10.884 -1.460 0.260 1.00 43.44 C ATOM 399 C SER A 24 -11.805 -0.496 1.020 1.00 72.25 C ATOM 400 O SER A 24 -12.727 -0.920 1.719 1.00 65.33 O ATOM 401 CB SER A 24 -11.649 -2.075 -0.921 1.00 24.03 C ATOM 402 OG SER A 24 -12.756 -2.849 -0.478 1.00 71.14 O ATOM 0 H SER A 24 -10.744 -3.441 0.958 1.00 62.14 H new ATOM 0 HA SER A 24 -10.029 -0.897 -0.115 1.00 43.44 H new ATOM 0 HB2 SER A 24 -11.999 -1.282 -1.582 1.00 24.03 H new ATOM 0 HB3 SER A 24 -10.976 -2.702 -1.505 1.00 24.03 H new ATOM 0 HG SER A 24 -13.223 -3.225 -1.253 1.00 71.14 H new ATOM 408 N LYS A 25 -11.554 0.806 0.876 1.00 40.30 N ATOM 409 CA LYS A 25 -12.327 1.836 1.589 1.00 52.24 C ATOM 410 C LYS A 25 -12.804 2.950 0.644 1.00 14.21 C ATOM 411 O LYS A 25 -12.309 3.086 -0.476 1.00 5.11 O ATOM 412 CB LYS A 25 -11.489 2.434 2.734 1.00 43.23 C ATOM 413 CG LYS A 25 -11.140 1.427 3.828 1.00 62.23 C ATOM 414 CD LYS A 25 -12.396 0.863 4.487 1.00 72.11 C ATOM 415 CE LYS A 25 -12.071 -0.259 5.465 1.00 53.41 C ATOM 416 NZ LYS A 25 -13.296 -0.789 6.120 1.00 25.31 N ATOM 0 H LYS A 25 -10.821 1.177 0.272 1.00 40.30 H new ATOM 0 HA LYS A 25 -13.212 1.354 2.004 1.00 52.24 H new ATOM 0 HB2 LYS A 25 -10.567 2.844 2.322 1.00 43.23 H new ATOM 0 HB3 LYS A 25 -12.037 3.265 3.178 1.00 43.23 H new ATOM 0 HG2 LYS A 25 -10.554 0.613 3.402 1.00 62.23 H new ATOM 0 HG3 LYS A 25 -10.516 1.908 4.582 1.00 62.23 H new ATOM 0 HD2 LYS A 25 -12.920 1.662 5.012 1.00 72.11 H new ATOM 0 HD3 LYS A 25 -13.073 0.490 3.718 1.00 72.11 H new ATOM 0 HE2 LYS A 25 -11.562 -1.066 4.937 1.00 53.41 H new ATOM 0 HE3 LYS A 25 -11.382 0.109 6.225 1.00 53.41 H new ATOM 0 HZ1 LYS A 25 -13.036 -1.551 6.778 1.00 25.31 H new ATOM 0 HZ2 LYS A 25 -13.768 -0.025 6.644 1.00 25.31 H new ATOM 0 HZ3 LYS A 25 -13.943 -1.163 5.396 1.00 25.31 H new ATOM 430 N LYS A 26 -13.779 3.736 1.103 1.00 55.23 N ATOM 431 CA LYS A 26 -14.328 4.845 0.310 1.00 32.53 C ATOM 432 C LYS A 26 -14.233 6.182 1.071 1.00 1.04 C ATOM 433 O LYS A 26 -14.516 6.249 2.269 1.00 15.34 O ATOM 434 CB LYS A 26 -15.789 4.552 -0.062 1.00 22.54 C ATOM 435 CG LYS A 26 -16.706 4.356 1.141 1.00 71.50 C ATOM 436 CD LYS A 26 -18.112 3.937 0.723 1.00 21.30 C ATOM 437 CE LYS A 26 -19.030 3.739 1.925 1.00 4.21 C ATOM 438 NZ LYS A 26 -20.367 3.230 1.520 1.00 4.33 N ATOM 0 H LYS A 26 -14.208 3.627 2.022 1.00 55.23 H new ATOM 0 HA LYS A 26 -13.734 4.935 -0.600 1.00 32.53 H new ATOM 0 HB2 LYS A 26 -16.171 5.374 -0.668 1.00 22.54 H new ATOM 0 HB3 LYS A 26 -15.823 3.656 -0.682 1.00 22.54 H new ATOM 0 HG2 LYS A 26 -16.283 3.598 1.800 1.00 71.50 H new ATOM 0 HG3 LYS A 26 -16.758 5.283 1.712 1.00 71.50 H new ATOM 0 HD2 LYS A 26 -18.536 4.695 0.064 1.00 21.30 H new ATOM 0 HD3 LYS A 26 -18.059 3.011 0.151 1.00 21.30 H new ATOM 0 HE2 LYS A 26 -18.570 3.039 2.622 1.00 4.21 H new ATOM 0 HE3 LYS A 26 -19.146 4.685 2.454 1.00 4.21 H new ATOM 0 HZ1 LYS A 26 -20.962 3.108 2.364 1.00 4.33 H new ATOM 0 HZ2 LYS A 26 -20.817 3.910 0.874 1.00 4.33 H new ATOM 0 HZ3 LYS A 26 -20.259 2.315 1.038 1.00 4.33 H new ATOM 452 N VAL A 27 -13.819 7.239 0.374 1.00 73.44 N ATOM 453 CA VAL A 27 -13.707 8.579 0.973 1.00 12.11 C ATOM 454 C VAL A 27 -14.197 9.675 0.009 1.00 64.23 C ATOM 455 O VAL A 27 -14.454 9.414 -1.166 1.00 54.51 O ATOM 456 CB VAL A 27 -12.244 8.904 1.391 1.00 41.23 C ATOM 457 CG1 VAL A 27 -11.757 7.965 2.494 1.00 72.34 C ATOM 458 CG2 VAL A 27 -11.308 8.854 0.182 1.00 70.43 C ATOM 0 H VAL A 27 -13.553 7.198 -0.610 1.00 73.44 H new ATOM 0 HA VAL A 27 -14.341 8.567 1.860 1.00 12.11 H new ATOM 0 HB VAL A 27 -12.232 9.918 1.790 1.00 41.23 H new ATOM 0 HG11 VAL A 27 -10.732 8.220 2.762 1.00 72.34 H new ATOM 0 HG12 VAL A 27 -12.398 8.069 3.370 1.00 72.34 H new ATOM 0 HG13 VAL A 27 -11.794 6.935 2.138 1.00 72.34 H new ATOM 0 HG21 VAL A 27 -10.291 9.085 0.499 1.00 70.43 H new ATOM 0 HG22 VAL A 27 -11.334 7.857 -0.257 1.00 70.43 H new ATOM 0 HG23 VAL A 27 -11.631 9.585 -0.559 1.00 70.43 H new ATOM 468 N LEU A 28 -14.334 10.896 0.520 1.00 53.32 N ATOM 469 CA LEU A 28 -14.654 12.059 -0.317 1.00 74.12 C ATOM 470 C LEU A 28 -13.374 12.758 -0.790 1.00 45.32 C ATOM 471 O LEU A 28 -12.297 12.565 -0.220 1.00 43.34 O ATOM 472 CB LEU A 28 -15.533 13.065 0.452 1.00 2.55 C ATOM 473 CG LEU A 28 -16.980 12.618 0.727 1.00 51.35 C ATOM 474 CD1 LEU A 28 -17.700 13.637 1.609 1.00 5.01 C ATOM 475 CD2 LEU A 28 -17.743 12.418 -0.584 1.00 14.12 C ATOM 0 H LEU A 28 -14.229 11.110 1.512 1.00 53.32 H new ATOM 0 HA LEU A 28 -15.205 11.698 -1.185 1.00 74.12 H new ATOM 0 HB2 LEU A 28 -15.053 13.283 1.406 1.00 2.55 H new ATOM 0 HB3 LEU A 28 -15.562 13.998 -0.111 1.00 2.55 H new ATOM 0 HG LEU A 28 -16.946 11.665 1.255 1.00 51.35 H new ATOM 0 HD11 LEU A 28 -18.721 13.303 1.792 1.00 5.01 H new ATOM 0 HD12 LEU A 28 -17.174 13.732 2.559 1.00 5.01 H new ATOM 0 HD13 LEU A 28 -17.719 14.604 1.106 1.00 5.01 H new ATOM 0 HD21 LEU A 28 -18.763 12.102 -0.367 1.00 14.12 H new ATOM 0 HD22 LEU A 28 -17.764 13.356 -1.139 1.00 14.12 H new ATOM 0 HD23 LEU A 28 -17.246 11.653 -1.181 1.00 14.12 H new ATOM 487 N GLU A 29 -13.497 13.564 -1.838 1.00 72.33 N ATOM 488 CA GLU A 29 -12.361 14.332 -2.354 1.00 63.54 C ATOM 489 C GLU A 29 -11.755 15.240 -1.269 1.00 53.34 C ATOM 490 O GLU A 29 -12.473 15.892 -0.517 1.00 31.11 O ATOM 491 CB GLU A 29 -12.794 15.179 -3.557 1.00 75.24 C ATOM 492 CG GLU A 29 -13.284 14.360 -4.743 1.00 53.42 C ATOM 493 CD GLU A 29 -13.600 15.224 -5.951 1.00 34.23 C ATOM 494 OE1 GLU A 29 -14.639 15.914 -5.935 1.00 72.50 O ATOM 495 OE2 GLU A 29 -12.810 15.214 -6.920 1.00 44.33 O ATOM 0 H GLU A 29 -14.368 13.705 -2.349 1.00 72.33 H new ATOM 0 HA GLU A 29 -11.597 13.621 -2.668 1.00 63.54 H new ATOM 0 HB2 GLU A 29 -13.587 15.858 -3.244 1.00 75.24 H new ATOM 0 HB3 GLU A 29 -11.954 15.796 -3.876 1.00 75.24 H new ATOM 0 HG2 GLU A 29 -12.525 13.626 -5.013 1.00 53.42 H new ATOM 0 HG3 GLU A 29 -14.176 13.804 -4.454 1.00 53.42 H new ATOM 502 N GLY A 30 -10.429 15.269 -1.184 1.00 5.43 N ATOM 503 CA GLY A 30 -9.758 16.111 -0.199 1.00 34.00 C ATOM 504 C GLY A 30 -9.472 15.392 1.119 1.00 33.14 C ATOM 505 O GLY A 30 -8.582 15.798 1.874 1.00 20.44 O ATOM 0 H GLY A 30 -9.803 14.726 -1.778 1.00 5.43 H new ATOM 0 HA2 GLY A 30 -8.819 16.471 -0.619 1.00 34.00 H new ATOM 0 HA3 GLY A 30 -10.375 16.987 -0.000 1.00 34.00 H new ATOM 509 N ASP A 31 -10.224 14.330 1.403 1.00 21.11 N ATOM 510 CA ASP A 31 -10.030 13.541 2.625 1.00 13.34 C ATOM 511 C ASP A 31 -8.823 12.592 2.510 1.00 54.25 C ATOM 512 O ASP A 31 -8.216 12.453 1.441 1.00 5.24 O ATOM 513 CB ASP A 31 -11.304 12.750 2.946 1.00 32.43 C ATOM 514 CG ASP A 31 -12.457 13.657 3.336 1.00 55.42 C ATOM 515 OD1 ASP A 31 -13.025 14.323 2.451 1.00 53.22 O ATOM 516 OD2 ASP A 31 -12.797 13.714 4.540 1.00 34.41 O ATOM 0 H ASP A 31 -10.977 13.993 0.803 1.00 21.11 H new ATOM 0 HA ASP A 31 -9.821 14.235 3.439 1.00 13.34 H new ATOM 0 HB2 ASP A 31 -11.589 12.155 2.078 1.00 32.43 H new ATOM 0 HB3 ASP A 31 -11.102 12.052 3.758 1.00 32.43 H new ATOM 521 N SER A 32 -8.475 11.949 3.624 1.00 13.11 N ATOM 522 CA SER A 32 -7.324 11.034 3.671 1.00 54.43 C ATOM 523 C SER A 32 -7.750 9.597 4.004 1.00 12.51 C ATOM 524 O SER A 32 -8.684 9.368 4.777 1.00 64.31 O ATOM 525 CB SER A 32 -6.293 11.507 4.709 1.00 72.23 C ATOM 526 OG SER A 32 -6.808 11.428 6.030 1.00 73.30 O ATOM 0 H SER A 32 -8.972 12.042 4.510 1.00 13.11 H new ATOM 0 HA SER A 32 -6.875 11.041 2.678 1.00 54.43 H new ATOM 0 HB2 SER A 32 -5.392 10.898 4.632 1.00 72.23 H new ATOM 0 HB3 SER A 32 -6.002 12.535 4.492 1.00 72.23 H new ATOM 0 HG SER A 32 -6.127 11.734 6.665 1.00 73.30 H new ATOM 532 N VAL A 33 -7.053 8.629 3.419 1.00 13.00 N ATOM 533 CA VAL A 33 -7.287 7.210 3.708 1.00 73.32 C ATOM 534 C VAL A 33 -5.977 6.529 4.142 1.00 23.51 C ATOM 535 O VAL A 33 -4.883 7.007 3.828 1.00 34.33 O ATOM 536 CB VAL A 33 -7.870 6.472 2.475 1.00 1.43 C ATOM 537 CG1 VAL A 33 -6.839 6.400 1.352 1.00 54.11 C ATOM 538 CG2 VAL A 33 -8.374 5.077 2.856 1.00 1.41 C ATOM 0 H VAL A 33 -6.315 8.799 2.736 1.00 13.00 H new ATOM 0 HA VAL A 33 -8.013 7.154 4.520 1.00 73.32 H new ATOM 0 HB VAL A 33 -8.724 7.042 2.111 1.00 1.43 H new ATOM 0 HG11 VAL A 33 -7.268 5.878 0.497 1.00 54.11 H new ATOM 0 HG12 VAL A 33 -6.553 7.409 1.055 1.00 54.11 H new ATOM 0 HG13 VAL A 33 -5.958 5.861 1.701 1.00 54.11 H new ATOM 0 HG21 VAL A 33 -8.777 4.582 1.973 1.00 1.41 H new ATOM 0 HG22 VAL A 33 -7.548 4.489 3.256 1.00 1.41 H new ATOM 0 HG23 VAL A 33 -9.155 5.166 3.611 1.00 1.41 H new ATOM 548 N LYS A 34 -6.087 5.426 4.874 1.00 42.32 N ATOM 549 CA LYS A 34 -4.912 4.680 5.329 1.00 13.10 C ATOM 550 C LYS A 34 -5.099 3.170 5.124 1.00 64.41 C ATOM 551 O LYS A 34 -6.007 2.557 5.686 1.00 4.42 O ATOM 552 CB LYS A 34 -4.626 5.002 6.805 1.00 33.52 C ATOM 553 CG LYS A 34 -5.847 4.883 7.713 1.00 41.21 C ATOM 554 CD LYS A 34 -5.528 5.270 9.158 1.00 44.20 C ATOM 555 CE LYS A 34 -4.997 6.699 9.274 1.00 40.10 C ATOM 556 NZ LYS A 34 -5.942 7.706 8.717 1.00 43.44 N ATOM 0 H LYS A 34 -6.978 5.025 5.167 1.00 42.32 H new ATOM 0 HA LYS A 34 -4.055 4.987 4.730 1.00 13.10 H new ATOM 0 HB2 LYS A 34 -3.848 4.330 7.169 1.00 33.52 H new ATOM 0 HB3 LYS A 34 -4.231 6.015 6.875 1.00 33.52 H new ATOM 0 HG2 LYS A 34 -6.644 5.523 7.334 1.00 41.21 H new ATOM 0 HG3 LYS A 34 -6.220 3.859 7.686 1.00 41.21 H new ATOM 0 HD2 LYS A 34 -6.427 5.169 9.766 1.00 44.20 H new ATOM 0 HD3 LYS A 34 -4.790 4.577 9.563 1.00 44.20 H new ATOM 0 HE2 LYS A 34 -4.804 6.927 10.322 1.00 40.10 H new ATOM 0 HE3 LYS A 34 -4.043 6.772 8.751 1.00 40.10 H new ATOM 0 HZ1 LYS A 34 -5.592 8.663 8.925 1.00 43.44 H new ATOM 0 HZ2 LYS A 34 -6.016 7.581 7.687 1.00 43.44 H new ATOM 0 HZ3 LYS A 34 -6.879 7.579 9.149 1.00 43.44 H new ATOM 570 N LEU A 35 -4.235 2.581 4.303 1.00 70.42 N ATOM 571 CA LEU A 35 -4.282 1.143 4.027 1.00 23.44 C ATOM 572 C LEU A 35 -3.169 0.414 4.791 1.00 1.35 C ATOM 573 O LEU A 35 -1.986 0.600 4.506 1.00 63.43 O ATOM 574 CB LEU A 35 -4.142 0.896 2.517 1.00 23.33 C ATOM 575 CG LEU A 35 -5.214 1.571 1.641 1.00 63.02 C ATOM 576 CD1 LEU A 35 -4.943 1.319 0.158 1.00 22.31 C ATOM 577 CD2 LEU A 35 -6.614 1.090 2.026 1.00 44.32 C ATOM 0 H LEU A 35 -3.490 3.077 3.814 1.00 70.42 H new ATOM 0 HA LEU A 35 -5.242 0.752 4.362 1.00 23.44 H new ATOM 0 HB2 LEU A 35 -3.161 1.246 2.197 1.00 23.33 H new ATOM 0 HB3 LEU A 35 -4.172 -0.179 2.336 1.00 23.33 H new ATOM 0 HG LEU A 35 -5.165 2.646 1.816 1.00 63.02 H new ATOM 0 HD11 LEU A 35 -5.713 1.805 -0.440 1.00 22.31 H new ATOM 0 HD12 LEU A 35 -3.967 1.725 -0.108 1.00 22.31 H new ATOM 0 HD13 LEU A 35 -4.955 0.247 -0.037 1.00 22.31 H new ATOM 0 HD21 LEU A 35 -7.354 1.581 1.394 1.00 44.32 H new ATOM 0 HD22 LEU A 35 -6.678 0.011 1.889 1.00 44.32 H new ATOM 0 HD23 LEU A 35 -6.809 1.336 3.070 1.00 44.32 H new ATOM 589 N GLU A 36 -3.551 -0.413 5.759 1.00 33.43 N ATOM 590 CA GLU A 36 -2.577 -1.098 6.619 1.00 63.43 C ATOM 591 C GLU A 36 -2.716 -2.629 6.548 1.00 21.02 C ATOM 592 O GLU A 36 -3.823 -3.163 6.441 1.00 3.31 O ATOM 593 CB GLU A 36 -2.729 -0.608 8.068 1.00 1.32 C ATOM 594 CG GLU A 36 -4.132 -0.793 8.647 1.00 72.10 C ATOM 595 CD GLU A 36 -4.298 -0.143 10.013 1.00 72.34 C ATOM 596 OE1 GLU A 36 -3.919 -0.765 11.028 1.00 5.01 O ATOM 597 OE2 GLU A 36 -4.796 1.001 10.077 1.00 3.23 O ATOM 0 H GLU A 36 -4.525 -0.628 5.972 1.00 33.43 H new ATOM 0 HA GLU A 36 -1.579 -0.853 6.255 1.00 63.43 H new ATOM 0 HB2 GLU A 36 -2.015 -1.140 8.697 1.00 1.32 H new ATOM 0 HB3 GLU A 36 -2.466 0.449 8.112 1.00 1.32 H new ATOM 0 HG2 GLU A 36 -4.863 -0.370 7.958 1.00 72.10 H new ATOM 0 HG3 GLU A 36 -4.349 -1.858 8.728 1.00 72.10 H new ATOM 604 N CYS A 37 -1.576 -3.323 6.597 1.00 71.44 N ATOM 605 CA CYS A 37 -1.545 -4.792 6.548 1.00 0.15 C ATOM 606 C CYS A 37 -0.283 -5.350 7.229 1.00 23.51 C ATOM 607 O CYS A 37 0.605 -4.595 7.629 1.00 75.51 O ATOM 608 CB CYS A 37 -1.604 -5.275 5.094 1.00 44.10 C ATOM 609 SG CYS A 37 -0.205 -4.748 4.076 1.00 23.00 S ATOM 0 H CYS A 37 -0.655 -2.890 6.671 1.00 71.44 H new ATOM 0 HA CYS A 37 -2.416 -5.160 7.089 1.00 0.15 H new ATOM 0 HB2 CYS A 37 -1.653 -6.364 5.087 1.00 44.10 H new ATOM 0 HB3 CYS A 37 -2.526 -4.911 4.640 1.00 44.10 H new ATOM 0 HG CYS A 37 -0.349 -5.209 2.869 1.00 23.00 H new ATOM 615 N GLN A 38 -0.204 -6.678 7.357 1.00 23.41 N ATOM 616 CA GLN A 38 0.956 -7.333 7.987 1.00 74.23 C ATOM 617 C GLN A 38 1.659 -8.302 7.021 1.00 64.31 C ATOM 618 O GLN A 38 1.020 -9.175 6.428 1.00 65.13 O ATOM 619 CB GLN A 38 0.526 -8.108 9.241 1.00 44.30 C ATOM 620 CG GLN A 38 -0.056 -7.244 10.360 1.00 55.44 C ATOM 621 CD GLN A 38 0.961 -6.316 11.014 1.00 4.13 C ATOM 622 OE1 GLN A 38 0.620 -5.236 11.483 1.00 65.22 O ATOM 623 NE2 GLN A 38 2.212 -6.731 11.072 1.00 10.23 N ATOM 0 H GLN A 38 -0.926 -7.323 7.035 1.00 23.41 H new ATOM 0 HA GLN A 38 1.655 -6.543 8.261 1.00 74.23 H new ATOM 0 HB2 GLN A 38 -0.215 -8.854 8.954 1.00 44.30 H new ATOM 0 HB3 GLN A 38 1.388 -8.649 9.630 1.00 44.30 H new ATOM 0 HG2 GLN A 38 -0.873 -6.646 9.957 1.00 55.44 H new ATOM 0 HG3 GLN A 38 -0.484 -7.894 11.123 1.00 55.44 H new ATOM 0 HE21 GLN A 38 2.469 -7.634 10.674 1.00 10.23 H new ATOM 0 HE22 GLN A 38 2.922 -6.149 11.515 1.00 10.23 H new ATOM 632 N ILE A 39 2.976 -8.152 6.882 1.00 34.23 N ATOM 633 CA ILE A 39 3.795 -9.063 6.074 1.00 61.04 C ATOM 634 C ILE A 39 4.929 -9.664 6.921 1.00 14.24 C ATOM 635 O ILE A 39 5.746 -8.933 7.482 1.00 72.20 O ATOM 636 CB ILE A 39 4.422 -8.335 4.856 1.00 52.10 C ATOM 637 CG1 ILE A 39 3.331 -7.681 3.991 1.00 2.41 C ATOM 638 CG2 ILE A 39 5.269 -9.302 4.022 1.00 74.54 C ATOM 639 CD1 ILE A 39 3.875 -6.905 2.807 1.00 54.11 C ATOM 0 H ILE A 39 3.506 -7.400 7.323 1.00 34.23 H new ATOM 0 HA ILE A 39 3.135 -9.854 5.716 1.00 61.04 H new ATOM 0 HB ILE A 39 5.076 -7.548 5.231 1.00 52.10 H new ATOM 0 HG12 ILE A 39 2.656 -8.455 3.627 1.00 2.41 H new ATOM 0 HG13 ILE A 39 2.740 -7.009 4.614 1.00 2.41 H new ATOM 0 HG21 ILE A 39 5.699 -8.770 3.173 1.00 74.54 H new ATOM 0 HG22 ILE A 39 6.070 -9.709 4.639 1.00 74.54 H new ATOM 0 HG23 ILE A 39 4.641 -10.116 3.660 1.00 74.54 H new ATOM 0 HD11 ILE A 39 3.048 -6.473 2.244 1.00 54.11 H new ATOM 0 HD12 ILE A 39 4.527 -6.108 3.163 1.00 54.11 H new ATOM 0 HD13 ILE A 39 4.441 -7.576 2.161 1.00 54.11 H new ATOM 651 N SER A 40 4.984 -10.991 7.012 1.00 42.22 N ATOM 652 CA SER A 40 6.047 -11.661 7.780 1.00 4.42 C ATOM 653 C SER A 40 7.225 -12.043 6.873 1.00 21.22 C ATOM 654 O SER A 40 7.152 -13.007 6.112 1.00 51.12 O ATOM 655 CB SER A 40 5.500 -12.917 8.478 1.00 33.34 C ATOM 656 OG SER A 40 6.497 -13.556 9.259 1.00 12.23 O ATOM 0 H SER A 40 4.316 -11.623 6.571 1.00 42.22 H new ATOM 0 HA SER A 40 6.403 -10.960 8.535 1.00 4.42 H new ATOM 0 HB2 SER A 40 4.659 -12.643 9.114 1.00 33.34 H new ATOM 0 HB3 SER A 40 5.121 -13.614 7.730 1.00 33.34 H new ATOM 0 HG SER A 40 6.116 -14.349 9.690 1.00 12.23 H new ATOM 662 N ALA A 41 8.290 -11.243 6.925 1.00 0.33 N ATOM 663 CA ALA A 41 9.521 -11.520 6.175 1.00 32.43 C ATOM 664 C ALA A 41 10.773 -11.331 7.043 1.00 34.35 C ATOM 665 O ALA A 41 10.764 -10.549 7.995 1.00 45.20 O ATOM 666 CB ALA A 41 9.598 -10.623 4.951 1.00 53.35 C ATOM 0 H ALA A 41 8.327 -10.390 7.483 1.00 0.33 H new ATOM 0 HA ALA A 41 9.489 -12.564 5.862 1.00 32.43 H new ATOM 0 HB1 ALA A 41 10.515 -10.836 4.401 1.00 53.35 H new ATOM 0 HB2 ALA A 41 8.738 -10.810 4.308 1.00 53.35 H new ATOM 0 HB3 ALA A 41 9.597 -9.579 5.264 1.00 53.35 H new ATOM 672 N ILE A 42 11.855 -12.033 6.702 1.00 11.45 N ATOM 673 CA ILE A 42 13.147 -11.844 7.375 1.00 64.42 C ATOM 674 C ILE A 42 14.298 -11.891 6.352 1.00 22.33 C ATOM 675 O ILE A 42 14.625 -12.955 5.827 1.00 31.22 O ATOM 676 CB ILE A 42 13.392 -12.917 8.472 1.00 55.44 C ATOM 677 CG1 ILE A 42 12.261 -12.887 9.515 1.00 12.24 C ATOM 678 CG2 ILE A 42 14.752 -12.705 9.142 1.00 1.42 C ATOM 679 CD1 ILE A 42 12.399 -13.932 10.600 1.00 13.11 C ATOM 0 H ILE A 42 11.865 -12.738 5.965 1.00 11.45 H new ATOM 0 HA ILE A 42 13.118 -10.865 7.854 1.00 64.42 H new ATOM 0 HB ILE A 42 13.397 -13.899 7.998 1.00 55.44 H new ATOM 0 HG12 ILE A 42 12.232 -11.900 9.977 1.00 12.24 H new ATOM 0 HG13 ILE A 42 11.307 -13.029 9.007 1.00 12.24 H new ATOM 0 HG21 ILE A 42 14.904 -13.467 9.907 1.00 1.42 H new ATOM 0 HG22 ILE A 42 15.542 -12.779 8.394 1.00 1.42 H new ATOM 0 HG23 ILE A 42 14.781 -11.718 9.603 1.00 1.42 H new ATOM 0 HD11 ILE A 42 11.564 -13.846 11.296 1.00 13.11 H new ATOM 0 HD12 ILE A 42 12.397 -14.925 10.151 1.00 13.11 H new ATOM 0 HD13 ILE A 42 13.336 -13.778 11.136 1.00 13.11 H new ATOM 691 N PRO A 43 14.924 -10.740 6.029 1.00 22.55 N ATOM 692 CA PRO A 43 14.559 -9.418 6.581 1.00 32.52 C ATOM 693 C PRO A 43 13.334 -8.783 5.879 1.00 23.04 C ATOM 694 O PRO A 43 12.833 -9.317 4.889 1.00 43.31 O ATOM 695 CB PRO A 43 15.826 -8.598 6.312 1.00 72.14 C ATOM 696 CG PRO A 43 16.374 -9.171 5.049 1.00 23.12 C ATOM 697 CD PRO A 43 16.059 -10.645 5.086 1.00 14.35 C ATOM 0 HA PRO A 43 14.264 -9.471 7.629 1.00 32.52 H new ATOM 0 HB2 PRO A 43 15.598 -7.538 6.202 1.00 72.14 H new ATOM 0 HB3 PRO A 43 16.539 -8.687 7.132 1.00 72.14 H new ATOM 0 HG2 PRO A 43 15.921 -8.698 4.178 1.00 23.12 H new ATOM 0 HG3 PRO A 43 17.449 -9.004 4.980 1.00 23.12 H new ATOM 0 HD2 PRO A 43 15.791 -11.022 4.099 1.00 14.35 H new ATOM 0 HD3 PRO A 43 16.914 -11.228 5.429 1.00 14.35 H new ATOM 705 N PRO A 44 12.816 -7.649 6.401 1.00 0.43 N ATOM 706 CA PRO A 44 11.713 -6.910 5.754 1.00 34.51 C ATOM 707 C PRO A 44 11.968 -6.627 4.254 1.00 24.41 C ATOM 708 O PRO A 44 13.067 -6.218 3.865 1.00 32.40 O ATOM 709 CB PRO A 44 11.659 -5.604 6.555 1.00 72.32 C ATOM 710 CG PRO A 44 12.166 -5.977 7.906 1.00 14.41 C ATOM 711 CD PRO A 44 13.229 -7.019 7.671 1.00 32.12 C ATOM 0 HA PRO A 44 10.782 -7.477 5.763 1.00 34.51 H new ATOM 0 HB2 PRO A 44 12.277 -4.832 6.098 1.00 72.32 H new ATOM 0 HB3 PRO A 44 10.644 -5.211 6.606 1.00 72.32 H new ATOM 0 HG2 PRO A 44 12.576 -5.110 8.423 1.00 14.41 H new ATOM 0 HG3 PRO A 44 11.364 -6.370 8.530 1.00 14.41 H new ATOM 0 HD2 PRO A 44 14.220 -6.572 7.594 1.00 32.12 H new ATOM 0 HD3 PRO A 44 13.269 -7.743 8.485 1.00 32.12 H new ATOM 719 N PRO A 45 10.955 -6.842 3.389 1.00 12.20 N ATOM 720 CA PRO A 45 11.117 -6.737 1.931 1.00 51.10 C ATOM 721 C PRO A 45 10.893 -5.318 1.373 1.00 63.10 C ATOM 722 O PRO A 45 10.429 -4.416 2.078 1.00 34.41 O ATOM 723 CB PRO A 45 10.028 -7.688 1.433 1.00 1.24 C ATOM 724 CG PRO A 45 8.919 -7.531 2.425 1.00 11.12 C ATOM 725 CD PRO A 45 9.569 -7.207 3.752 1.00 63.45 C ATOM 0 HA PRO A 45 12.132 -6.976 1.613 1.00 51.10 H new ATOM 0 HB2 PRO A 45 9.701 -7.427 0.426 1.00 1.24 H new ATOM 0 HB3 PRO A 45 10.385 -8.717 1.395 1.00 1.24 H new ATOM 0 HG2 PRO A 45 8.238 -6.735 2.122 1.00 11.12 H new ATOM 0 HG3 PRO A 45 8.330 -8.445 2.495 1.00 11.12 H new ATOM 0 HD2 PRO A 45 9.059 -6.387 4.257 1.00 63.45 H new ATOM 0 HD3 PRO A 45 9.545 -8.062 4.428 1.00 63.45 H new ATOM 733 N LYS A 46 11.235 -5.131 0.097 1.00 22.34 N ATOM 734 CA LYS A 46 10.992 -3.864 -0.599 1.00 53.21 C ATOM 735 C LYS A 46 9.535 -3.787 -1.094 1.00 72.35 C ATOM 736 O LYS A 46 9.064 -4.682 -1.800 1.00 54.22 O ATOM 737 CB LYS A 46 11.959 -3.719 -1.782 1.00 4.31 C ATOM 738 CG LYS A 46 11.873 -2.370 -2.491 1.00 4.04 C ATOM 739 CD LYS A 46 12.288 -1.217 -1.579 1.00 40.03 C ATOM 740 CE LYS A 46 12.205 0.126 -2.295 1.00 61.03 C ATOM 741 NZ LYS A 46 12.682 1.243 -1.437 1.00 41.01 N ATOM 0 H LYS A 46 11.683 -5.844 -0.479 1.00 22.34 H new ATOM 0 HA LYS A 46 11.162 -3.047 0.102 1.00 53.21 H new ATOM 0 HB2 LYS A 46 12.978 -3.866 -1.425 1.00 4.31 H new ATOM 0 HB3 LYS A 46 11.756 -4.511 -2.503 1.00 4.31 H new ATOM 0 HG2 LYS A 46 12.513 -2.383 -3.373 1.00 4.04 H new ATOM 0 HG3 LYS A 46 10.853 -2.208 -2.839 1.00 4.04 H new ATOM 0 HD2 LYS A 46 11.646 -1.200 -0.698 1.00 40.03 H new ATOM 0 HD3 LYS A 46 13.307 -1.380 -1.227 1.00 40.03 H new ATOM 0 HE2 LYS A 46 12.801 0.089 -3.207 1.00 61.03 H new ATOM 0 HE3 LYS A 46 11.174 0.314 -2.596 1.00 61.03 H new ATOM 0 HZ1 LYS A 46 12.609 2.139 -1.961 1.00 41.01 H new ATOM 0 HZ2 LYS A 46 12.097 1.295 -0.579 1.00 41.01 H new ATOM 0 HZ3 LYS A 46 13.674 1.077 -1.171 1.00 41.01 H new ATOM 755 N LEU A 47 8.829 -2.723 -0.715 1.00 75.21 N ATOM 756 CA LEU A 47 7.410 -2.561 -1.062 1.00 44.22 C ATOM 757 C LEU A 47 7.216 -1.755 -2.359 1.00 71.55 C ATOM 758 O LEU A 47 7.868 -0.732 -2.570 1.00 63.20 O ATOM 759 CB LEU A 47 6.669 -1.863 0.087 1.00 70.34 C ATOM 760 CG LEU A 47 6.747 -2.566 1.449 1.00 73.23 C ATOM 761 CD1 LEU A 47 6.081 -1.715 2.525 1.00 10.44 C ATOM 762 CD2 LEU A 47 6.109 -3.953 1.382 1.00 34.22 C ATOM 0 H LEU A 47 9.214 -1.955 -0.165 1.00 75.21 H new ATOM 0 HA LEU A 47 7.000 -3.558 -1.225 1.00 44.22 H new ATOM 0 HB2 LEU A 47 7.070 -0.855 0.195 1.00 70.34 H new ATOM 0 HB3 LEU A 47 5.620 -1.761 -0.190 1.00 70.34 H new ATOM 0 HG LEU A 47 7.798 -2.692 1.711 1.00 73.23 H new ATOM 0 HD11 LEU A 47 6.145 -2.227 3.485 1.00 10.44 H new ATOM 0 HD12 LEU A 47 6.588 -0.752 2.593 1.00 10.44 H new ATOM 0 HD13 LEU A 47 5.034 -1.556 2.267 1.00 10.44 H new ATOM 0 HD21 LEU A 47 6.176 -4.432 2.359 1.00 34.22 H new ATOM 0 HD22 LEU A 47 5.062 -3.858 1.096 1.00 34.22 H new ATOM 0 HD23 LEU A 47 6.634 -4.559 0.644 1.00 34.22 H new ATOM 774 N PHE A 48 6.312 -2.223 -3.220 1.00 13.33 N ATOM 775 CA PHE A 48 5.954 -1.505 -4.451 1.00 52.50 C ATOM 776 C PHE A 48 4.430 -1.395 -4.604 1.00 61.43 C ATOM 777 O PHE A 48 3.734 -2.407 -4.690 1.00 14.54 O ATOM 778 CB PHE A 48 6.541 -2.214 -5.680 1.00 43.41 C ATOM 779 CG PHE A 48 8.046 -2.230 -5.710 1.00 61.52 C ATOM 780 CD1 PHE A 48 8.756 -1.093 -6.070 1.00 71.42 C ATOM 781 CD2 PHE A 48 8.750 -3.380 -5.383 1.00 51.14 C ATOM 782 CE1 PHE A 48 10.135 -1.104 -6.101 1.00 25.44 C ATOM 783 CE2 PHE A 48 10.128 -3.395 -5.415 1.00 25.34 C ATOM 784 CZ PHE A 48 10.821 -2.256 -5.773 1.00 4.15 C ATOM 0 H PHE A 48 5.810 -3.101 -3.089 1.00 13.33 H new ATOM 0 HA PHE A 48 6.373 -0.501 -4.380 1.00 52.50 H new ATOM 0 HB2 PHE A 48 6.175 -3.241 -5.705 1.00 43.41 H new ATOM 0 HB3 PHE A 48 6.174 -1.723 -6.581 1.00 43.41 H new ATOM 0 HD1 PHE A 48 8.223 -0.190 -6.329 1.00 71.42 H new ATOM 0 HD2 PHE A 48 8.213 -4.273 -5.100 1.00 51.14 H new ATOM 0 HE1 PHE A 48 10.677 -0.213 -6.381 1.00 25.44 H new ATOM 0 HE2 PHE A 48 10.665 -4.297 -5.160 1.00 25.34 H new ATOM 0 HZ PHE A 48 11.901 -2.266 -5.796 1.00 4.15 H new ATOM 794 N TRP A 49 3.918 -0.165 -4.630 1.00 41.41 N ATOM 795 CA TRP A 49 2.486 0.084 -4.847 1.00 41.22 C ATOM 796 C TRP A 49 2.235 0.687 -6.239 1.00 43.21 C ATOM 797 O TRP A 49 2.880 1.665 -6.632 1.00 52.34 O ATOM 798 CB TRP A 49 1.934 1.033 -3.771 1.00 44.11 C ATOM 799 CG TRP A 49 1.837 0.419 -2.402 1.00 14.50 C ATOM 800 CD1 TRP A 49 2.843 0.275 -1.491 1.00 41.55 C ATOM 801 CD2 TRP A 49 0.661 -0.126 -1.789 1.00 51.22 C ATOM 802 NE1 TRP A 49 2.364 -0.323 -0.349 1.00 41.10 N ATOM 803 CE2 TRP A 49 1.026 -0.577 -0.508 1.00 13.33 C ATOM 804 CE3 TRP A 49 -0.668 -0.271 -2.202 1.00 2.24 C ATOM 805 CZ2 TRP A 49 0.111 -1.166 0.365 1.00 24.43 C ATOM 806 CZ3 TRP A 49 -1.575 -0.856 -1.335 1.00 55.43 C ATOM 807 CH2 TRP A 49 -1.182 -1.294 -0.064 1.00 51.03 C ATOM 0 H TRP A 49 4.474 0.681 -4.503 1.00 41.41 H new ATOM 0 HA TRP A 49 1.970 -0.874 -4.781 1.00 41.22 H new ATOM 0 HB2 TRP A 49 2.572 1.915 -3.717 1.00 44.11 H new ATOM 0 HB3 TRP A 49 0.944 1.374 -4.076 1.00 44.11 H new ATOM 0 HD1 TRP A 49 3.866 0.585 -1.645 1.00 41.55 H new ATOM 0 HE1 TRP A 49 2.915 -0.542 0.481 1.00 41.10 H new ATOM 0 HE3 TRP A 49 -0.980 0.067 -3.179 1.00 2.24 H new ATOM 0 HZ2 TRP A 49 0.412 -1.509 1.344 1.00 24.43 H new ATOM 0 HZ3 TRP A 49 -2.603 -0.977 -1.644 1.00 55.43 H new ATOM 0 HH2 TRP A 49 -1.915 -1.742 0.591 1.00 51.03 H new ATOM 818 N LYS A 50 1.302 0.104 -6.987 1.00 3.15 N ATOM 819 CA LYS A 50 0.926 0.640 -8.298 1.00 72.01 C ATOM 820 C LYS A 50 -0.576 0.970 -8.345 1.00 42.53 C ATOM 821 O LYS A 50 -1.414 0.122 -8.055 1.00 11.22 O ATOM 822 CB LYS A 50 1.298 -0.371 -9.395 1.00 43.44 C ATOM 823 CG LYS A 50 1.059 0.132 -10.818 1.00 45.31 C ATOM 824 CD LYS A 50 1.605 -0.833 -11.874 1.00 53.20 C ATOM 825 CE LYS A 50 3.111 -1.053 -11.729 1.00 4.24 C ATOM 826 NZ LYS A 50 3.677 -1.823 -12.869 1.00 23.10 N ATOM 0 H LYS A 50 0.793 -0.736 -6.712 1.00 3.15 H new ATOM 0 HA LYS A 50 1.473 1.567 -8.471 1.00 72.01 H new ATOM 0 HB2 LYS A 50 2.350 -0.636 -9.287 1.00 43.44 H new ATOM 0 HB3 LYS A 50 0.722 -1.284 -9.243 1.00 43.44 H new ATOM 0 HG2 LYS A 50 -0.010 0.274 -10.976 1.00 45.31 H new ATOM 0 HG3 LYS A 50 1.531 1.107 -10.941 1.00 45.31 H new ATOM 0 HD2 LYS A 50 1.090 -1.790 -11.791 1.00 53.20 H new ATOM 0 HD3 LYS A 50 1.391 -0.441 -12.868 1.00 53.20 H new ATOM 0 HE2 LYS A 50 3.613 -0.088 -11.659 1.00 4.24 H new ATOM 0 HE3 LYS A 50 3.311 -1.584 -10.798 1.00 4.24 H new ATOM 0 HZ1 LYS A 50 4.700 -1.949 -12.729 1.00 23.10 H new ATOM 0 HZ2 LYS A 50 3.218 -2.755 -12.921 1.00 23.10 H new ATOM 0 HZ3 LYS A 50 3.510 -1.305 -13.755 1.00 23.10 H new ATOM 840 N ARG A 51 -0.901 2.201 -8.733 1.00 61.34 N ATOM 841 CA ARG A 51 -2.291 2.685 -8.759 1.00 71.51 C ATOM 842 C ARG A 51 -2.809 2.845 -10.192 1.00 34.42 C ATOM 843 O ARG A 51 -2.281 3.651 -10.958 1.00 1.11 O ATOM 844 CB ARG A 51 -2.382 4.040 -8.040 1.00 70.45 C ATOM 845 CG ARG A 51 -3.763 4.697 -8.113 1.00 31.00 C ATOM 846 CD ARG A 51 -3.741 6.134 -7.587 1.00 3.20 C ATOM 847 NE ARG A 51 -2.928 7.016 -8.425 1.00 32.54 N ATOM 848 CZ ARG A 51 -2.949 8.322 -8.353 1.00 45.44 C ATOM 849 NH1 ARG A 51 -3.658 8.918 -7.457 1.00 14.35 N ATOM 850 NH2 ARG A 51 -2.235 9.033 -9.164 1.00 75.22 N ATOM 0 H ARG A 51 -0.216 2.893 -9.038 1.00 61.34 H new ATOM 0 HA ARG A 51 -2.908 1.943 -8.252 1.00 71.51 H new ATOM 0 HB2 ARG A 51 -2.112 3.902 -6.993 1.00 70.45 H new ATOM 0 HB3 ARG A 51 -1.646 4.718 -8.472 1.00 70.45 H new ATOM 0 HG2 ARG A 51 -4.112 4.694 -9.146 1.00 31.00 H new ATOM 0 HG3 ARG A 51 -4.475 4.109 -7.534 1.00 31.00 H new ATOM 0 HD2 ARG A 51 -4.760 6.518 -7.540 1.00 3.20 H new ATOM 0 HD3 ARG A 51 -3.351 6.141 -6.569 1.00 3.20 H new ATOM 0 HE ARG A 51 -2.305 6.585 -9.109 1.00 32.54 H new ATOM 0 HH11 ARG A 51 -4.209 8.371 -6.796 1.00 14.35 H new ATOM 0 HH12 ARG A 51 -3.668 9.937 -7.409 1.00 14.35 H new ATOM 0 HH21 ARG A 51 -1.651 8.576 -9.865 1.00 75.22 H new ATOM 0 HH22 ARG A 51 -2.256 10.051 -9.103 1.00 75.22 H new ATOM 864 N ASN A 52 -3.842 2.083 -10.554 1.00 41.01 N ATOM 865 CA ASN A 52 -4.483 2.221 -11.871 1.00 2.52 C ATOM 866 C ASN A 52 -3.456 2.009 -13.004 1.00 3.22 C ATOM 867 O ASN A 52 -3.485 2.685 -14.033 1.00 0.20 O ATOM 868 CB ASN A 52 -5.151 3.611 -11.968 1.00 23.23 C ATOM 869 CG ASN A 52 -6.033 3.782 -13.194 1.00 24.20 C ATOM 870 OD1 ASN A 52 -5.606 4.297 -14.218 1.00 30.32 O ATOM 871 ND2 ASN A 52 -7.271 3.351 -13.097 1.00 43.33 N ATOM 0 H ASN A 52 -4.255 1.365 -9.959 1.00 41.01 H new ATOM 0 HA ASN A 52 -5.250 1.455 -11.984 1.00 2.52 H new ATOM 0 HB2 ASN A 52 -5.751 3.779 -11.074 1.00 23.23 H new ATOM 0 HB3 ASN A 52 -4.375 4.377 -11.980 1.00 23.23 H new ATOM 0 HD21 ASN A 52 -7.906 3.442 -13.890 1.00 43.33 H new ATOM 0 HD22 ASN A 52 -7.596 2.926 -12.229 1.00 43.33 H new ATOM 878 N ASN A 53 -2.545 1.052 -12.787 1.00 23.20 N ATOM 879 CA ASN A 53 -1.474 0.717 -13.743 1.00 43.45 C ATOM 880 C ASN A 53 -0.360 1.786 -13.772 1.00 63.34 C ATOM 881 O ASN A 53 0.609 1.668 -14.523 1.00 60.23 O ATOM 882 CB ASN A 53 -2.042 0.468 -15.150 1.00 4.12 C ATOM 883 CG ASN A 53 -3.074 -0.650 -15.157 1.00 25.04 C ATOM 884 OD1 ASN A 53 -3.023 -1.567 -14.339 1.00 4.31 O ATOM 885 ND2 ASN A 53 -4.015 -0.589 -16.074 1.00 3.24 N ATOM 0 H ASN A 53 -2.527 0.484 -11.940 1.00 23.20 H new ATOM 0 HA ASN A 53 -1.016 -0.209 -13.394 1.00 43.45 H new ATOM 0 HB2 ASN A 53 -2.498 1.385 -15.525 1.00 4.12 H new ATOM 0 HB3 ASN A 53 -1.229 0.215 -15.830 1.00 4.12 H new ATOM 0 HD21 ASN A 53 -4.730 -1.315 -16.121 1.00 3.24 H new ATOM 0 HD22 ASN A 53 -4.030 0.185 -16.738 1.00 3.24 H new ATOM 892 N GLU A 54 -0.496 2.815 -12.934 1.00 72.44 N ATOM 893 CA GLU A 54 0.548 3.835 -12.753 1.00 34.44 C ATOM 894 C GLU A 54 1.149 3.753 -11.339 1.00 65.23 C ATOM 895 O GLU A 54 0.436 3.908 -10.348 1.00 2.10 O ATOM 896 CB GLU A 54 -0.029 5.240 -12.973 1.00 65.44 C ATOM 897 CG GLU A 54 -0.502 5.513 -14.397 1.00 3.44 C ATOM 898 CD GLU A 54 -0.962 6.950 -14.583 1.00 34.23 C ATOM 899 OE1 GLU A 54 -0.195 7.870 -14.217 1.00 73.40 O ATOM 900 OE2 GLU A 54 -2.091 7.171 -15.077 1.00 15.23 O ATOM 0 H GLU A 54 -1.327 2.968 -12.363 1.00 72.44 H new ATOM 0 HA GLU A 54 1.331 3.645 -13.488 1.00 34.44 H new ATOM 0 HB2 GLU A 54 -0.867 5.386 -12.291 1.00 65.44 H new ATOM 0 HB3 GLU A 54 0.730 5.976 -12.708 1.00 65.44 H new ATOM 0 HG2 GLU A 54 0.308 5.299 -15.094 1.00 3.44 H new ATOM 0 HG3 GLU A 54 -1.321 4.836 -14.642 1.00 3.44 H new ATOM 907 N MET A 55 2.459 3.526 -11.243 1.00 13.53 N ATOM 908 CA MET A 55 3.127 3.390 -9.938 1.00 54.21 C ATOM 909 C MET A 55 2.946 4.642 -9.059 1.00 71.31 C ATOM 910 O MET A 55 3.046 5.774 -9.535 1.00 3.43 O ATOM 911 CB MET A 55 4.616 3.079 -10.129 1.00 73.11 C ATOM 912 CG MET A 55 5.416 3.051 -8.830 1.00 5.35 C ATOM 913 SD MET A 55 7.029 2.270 -9.020 1.00 12.44 S ATOM 914 CE MET A 55 6.546 0.560 -9.253 1.00 55.32 C ATOM 0 H MET A 55 3.081 3.432 -12.046 1.00 13.53 H new ATOM 0 HA MET A 55 2.653 2.558 -9.417 1.00 54.21 H new ATOM 0 HB2 MET A 55 4.714 2.113 -10.625 1.00 73.11 H new ATOM 0 HB3 MET A 55 5.050 3.825 -10.795 1.00 73.11 H new ATOM 0 HG2 MET A 55 5.551 4.071 -8.470 1.00 5.35 H new ATOM 0 HG3 MET A 55 4.846 2.517 -8.069 1.00 5.35 H new ATOM 0 HE1 MET A 55 7.382 -0.092 -8.999 1.00 55.32 H new ATOM 0 HE2 MET A 55 5.697 0.331 -8.608 1.00 55.32 H new ATOM 0 HE3 MET A 55 6.265 0.400 -10.294 1.00 55.32 H new ATOM 924 N VAL A 56 2.696 4.419 -7.768 1.00 33.50 N ATOM 925 CA VAL A 56 2.414 5.508 -6.826 1.00 55.31 C ATOM 926 C VAL A 56 3.683 6.314 -6.489 1.00 34.30 C ATOM 927 O VAL A 56 4.683 5.758 -6.029 1.00 33.14 O ATOM 928 CB VAL A 56 1.794 4.958 -5.515 1.00 72.14 C ATOM 929 CG1 VAL A 56 1.371 6.096 -4.587 1.00 24.23 C ATOM 930 CG2 VAL A 56 0.615 4.034 -5.817 1.00 71.42 C ATOM 0 H VAL A 56 2.683 3.490 -7.347 1.00 33.50 H new ATOM 0 HA VAL A 56 1.701 6.172 -7.314 1.00 55.31 H new ATOM 0 HB VAL A 56 2.559 4.375 -5.002 1.00 72.14 H new ATOM 0 HG11 VAL A 56 0.940 5.681 -3.676 1.00 24.23 H new ATOM 0 HG12 VAL A 56 2.241 6.701 -4.334 1.00 24.23 H new ATOM 0 HG13 VAL A 56 0.630 6.718 -5.089 1.00 24.23 H new ATOM 0 HG21 VAL A 56 0.197 3.661 -4.882 1.00 71.42 H new ATOM 0 HG22 VAL A 56 -0.150 4.587 -6.362 1.00 71.42 H new ATOM 0 HG23 VAL A 56 0.956 3.194 -6.423 1.00 71.42 H new ATOM 940 N GLN A 57 3.628 7.625 -6.718 1.00 42.41 N ATOM 941 CA GLN A 57 4.763 8.523 -6.452 1.00 12.45 C ATOM 942 C GLN A 57 4.675 9.155 -5.048 1.00 44.43 C ATOM 943 O GLN A 57 3.760 9.923 -4.753 1.00 0.43 O ATOM 944 CB GLN A 57 4.831 9.617 -7.532 1.00 30.35 C ATOM 945 CG GLN A 57 3.506 10.336 -7.778 1.00 32.21 C ATOM 946 CD GLN A 57 3.591 11.372 -8.887 1.00 21.24 C ATOM 947 OE1 GLN A 57 3.879 12.539 -8.647 1.00 52.25 O ATOM 948 NE2 GLN A 57 3.354 10.949 -10.113 1.00 54.34 N ATOM 0 H GLN A 57 2.804 8.097 -7.090 1.00 42.41 H new ATOM 0 HA GLN A 57 5.676 7.929 -6.484 1.00 12.45 H new ATOM 0 HB2 GLN A 57 5.582 10.352 -7.242 1.00 30.35 H new ATOM 0 HB3 GLN A 57 5.168 9.169 -8.467 1.00 30.35 H new ATOM 0 HG2 GLN A 57 2.742 9.601 -8.032 1.00 32.21 H new ATOM 0 HG3 GLN A 57 3.186 10.823 -6.857 1.00 32.21 H new ATOM 0 HE21 GLN A 57 3.117 9.971 -10.278 1.00 54.34 H new ATOM 0 HE22 GLN A 57 3.408 11.600 -10.896 1.00 54.34 H new ATOM 957 N PHE A 58 5.653 8.848 -4.195 1.00 0.42 N ATOM 958 CA PHE A 58 5.648 9.309 -2.794 1.00 1.34 C ATOM 959 C PHE A 58 6.425 10.629 -2.628 1.00 24.43 C ATOM 960 O PHE A 58 6.873 10.971 -1.533 1.00 0.22 O ATOM 961 CB PHE A 58 6.252 8.223 -1.895 1.00 31.35 C ATOM 962 CG PHE A 58 5.599 6.873 -2.062 1.00 42.30 C ATOM 963 CD1 PHE A 58 4.326 6.638 -1.566 1.00 25.41 C ATOM 964 CD2 PHE A 58 6.258 5.841 -2.717 1.00 55.13 C ATOM 965 CE1 PHE A 58 3.720 5.407 -1.725 1.00 51.33 C ATOM 966 CE2 PHE A 58 5.655 4.606 -2.876 1.00 15.43 C ATOM 967 CZ PHE A 58 4.386 4.390 -2.378 1.00 71.30 C ATOM 0 H PHE A 58 6.463 8.281 -4.445 1.00 0.42 H new ATOM 0 HA PHE A 58 4.615 9.497 -2.501 1.00 1.34 H new ATOM 0 HB2 PHE A 58 7.316 8.133 -2.113 1.00 31.35 H new ATOM 0 HB3 PHE A 58 6.165 8.534 -0.854 1.00 31.35 H new ATOM 0 HD1 PHE A 58 3.801 7.428 -1.049 1.00 25.41 H new ATOM 0 HD2 PHE A 58 7.252 6.004 -3.107 1.00 55.13 H new ATOM 0 HE1 PHE A 58 2.725 5.241 -1.338 1.00 51.33 H new ATOM 0 HE2 PHE A 58 6.177 3.812 -3.389 1.00 15.43 H new ATOM 0 HZ PHE A 58 3.915 3.426 -2.499 1.00 71.30 H new ATOM 977 N ASN A 59 6.558 11.370 -3.726 1.00 10.52 N ATOM 978 CA ASN A 59 7.313 12.640 -3.766 1.00 52.34 C ATOM 979 C ASN A 59 6.706 13.776 -2.902 1.00 50.42 C ATOM 980 O ASN A 59 7.199 14.906 -2.936 1.00 32.20 O ATOM 981 CB ASN A 59 7.413 13.117 -5.226 1.00 60.34 C ATOM 982 CG ASN A 59 6.074 13.567 -5.817 1.00 61.32 C ATOM 983 OD1 ASN A 59 6.035 14.419 -6.695 1.00 63.34 O ATOM 984 ND2 ASN A 59 4.967 13.020 -5.342 1.00 13.42 N ATOM 0 H ASN A 59 6.146 11.113 -4.623 1.00 10.52 H new ATOM 0 HA ASN A 59 8.293 12.426 -3.339 1.00 52.34 H new ATOM 0 HB2 ASN A 59 8.121 13.944 -5.282 1.00 60.34 H new ATOM 0 HB3 ASN A 59 7.817 12.309 -5.836 1.00 60.34 H new ATOM 0 HD21 ASN A 59 4.059 13.307 -5.708 1.00 13.42 H new ATOM 0 HD22 ASN A 59 5.022 12.312 -4.610 1.00 13.42 H new ATOM 991 N THR A 60 5.656 13.493 -2.131 1.00 25.24 N ATOM 992 CA THR A 60 4.965 14.543 -1.352 1.00 1.24 C ATOM 993 C THR A 60 4.457 14.027 0.001 1.00 45.31 C ATOM 994 O THR A 60 4.422 12.826 0.245 1.00 11.14 O ATOM 995 CB THR A 60 3.764 15.136 -2.139 1.00 54.52 C ATOM 996 OG1 THR A 60 2.988 16.001 -1.290 1.00 14.34 O ATOM 997 CG2 THR A 60 2.868 14.033 -2.691 1.00 15.50 C ATOM 0 H THR A 60 5.262 12.558 -2.024 1.00 25.24 H new ATOM 0 HA THR A 60 5.709 15.320 -1.175 1.00 1.24 H new ATOM 0 HB THR A 60 4.166 15.709 -2.974 1.00 54.52 H new ATOM 0 HG1 THR A 60 2.236 16.369 -1.798 1.00 14.34 H new ATOM 0 HG21 THR A 60 2.036 14.479 -3.237 1.00 15.50 H new ATOM 0 HG22 THR A 60 3.445 13.398 -3.364 1.00 15.50 H new ATOM 0 HG23 THR A 60 2.481 13.432 -1.868 1.00 15.50 H new ATOM 1005 N ASP A 61 4.061 14.949 0.879 1.00 12.13 N ATOM 1006 CA ASP A 61 3.468 14.584 2.171 1.00 71.44 C ATOM 1007 C ASP A 61 2.066 13.985 1.984 1.00 64.05 C ATOM 1008 O ASP A 61 1.612 13.169 2.789 1.00 50.10 O ATOM 1009 CB ASP A 61 3.392 15.811 3.090 1.00 21.22 C ATOM 1010 CG ASP A 61 2.752 15.483 4.430 1.00 22.34 C ATOM 1011 OD1 ASP A 61 3.450 14.941 5.308 1.00 45.11 O ATOM 1012 OD2 ASP A 61 1.543 15.752 4.608 1.00 2.25 O ATOM 0 H ASP A 61 4.139 15.954 0.722 1.00 12.13 H new ATOM 0 HA ASP A 61 4.107 13.831 2.632 1.00 71.44 H new ATOM 0 HB2 ASP A 61 4.396 16.203 3.254 1.00 21.22 H new ATOM 0 HB3 ASP A 61 2.819 16.597 2.598 1.00 21.22 H new ATOM 1017 N ARG A 62 1.389 14.389 0.910 1.00 30.25 N ATOM 1018 CA ARG A 62 0.025 13.928 0.645 1.00 73.11 C ATOM 1019 C ARG A 62 0.003 12.453 0.218 1.00 63.30 C ATOM 1020 O ARG A 62 -1.013 11.780 0.347 1.00 24.21 O ATOM 1021 CB ARG A 62 -0.649 14.820 -0.407 1.00 54.22 C ATOM 1022 CG ARG A 62 -0.674 16.296 -0.008 1.00 34.11 C ATOM 1023 CD ARG A 62 -1.596 17.128 -0.895 1.00 4.42 C ATOM 1024 NE ARG A 62 -1.241 17.059 -2.312 1.00 34.31 N ATOM 1025 CZ ARG A 62 -1.043 18.104 -3.068 1.00 50.33 C ATOM 1026 NH1 ARG A 62 -1.093 19.298 -2.573 1.00 3.03 N ATOM 1027 NH2 ARG A 62 -0.793 17.950 -4.324 1.00 24.41 N ATOM 0 H ARG A 62 1.760 15.032 0.211 1.00 30.25 H new ATOM 0 HA ARG A 62 -0.542 14.004 1.573 1.00 73.11 H new ATOM 0 HB2 ARG A 62 -0.124 14.714 -1.356 1.00 54.22 H new ATOM 0 HB3 ARG A 62 -1.670 14.475 -0.568 1.00 54.22 H new ATOM 0 HG2 ARG A 62 -0.998 16.383 1.029 1.00 34.11 H new ATOM 0 HG3 ARG A 62 0.337 16.700 -0.061 1.00 34.11 H new ATOM 0 HD2 ARG A 62 -2.622 16.784 -0.766 1.00 4.42 H new ATOM 0 HD3 ARG A 62 -1.564 18.167 -0.568 1.00 4.42 H new ATOM 0 HE ARG A 62 -1.142 16.137 -2.736 1.00 34.31 H new ATOM 0 HH11 ARG A 62 -1.289 19.431 -1.581 1.00 3.03 H new ATOM 0 HH12 ARG A 62 -0.936 20.107 -3.175 1.00 3.03 H new ATOM 0 HH21 ARG A 62 -0.750 17.013 -4.724 1.00 24.41 H new ATOM 0 HH22 ARG A 62 -0.638 18.765 -4.917 1.00 24.41 H new ATOM 1041 N ILE A 63 1.128 11.953 -0.279 1.00 73.24 N ATOM 1042 CA ILE A 63 1.274 10.523 -0.582 1.00 20.33 C ATOM 1043 C ILE A 63 2.469 9.945 0.194 1.00 45.21 C ATOM 1044 O ILE A 63 3.594 10.423 0.059 1.00 31.41 O ATOM 1045 CB ILE A 63 1.481 10.279 -2.102 1.00 35.23 C ATOM 1046 CG1 ILE A 63 0.310 10.859 -2.919 1.00 62.52 C ATOM 1047 CG2 ILE A 63 1.651 8.790 -2.389 1.00 61.33 C ATOM 1048 CD1 ILE A 63 -1.036 10.233 -2.605 1.00 64.33 C ATOM 0 H ILE A 63 1.956 12.512 -0.483 1.00 73.24 H new ATOM 0 HA ILE A 63 0.354 10.023 -0.278 1.00 20.33 H new ATOM 0 HB ILE A 63 2.392 10.795 -2.405 1.00 35.23 H new ATOM 0 HG12 ILE A 63 0.251 11.932 -2.737 1.00 62.52 H new ATOM 0 HG13 ILE A 63 0.521 10.727 -3.980 1.00 62.52 H new ATOM 0 HG21 ILE A 63 1.795 8.640 -3.459 1.00 61.33 H new ATOM 0 HG22 ILE A 63 2.520 8.412 -1.850 1.00 61.33 H new ATOM 0 HG23 ILE A 63 0.760 8.253 -2.064 1.00 61.33 H new ATOM 0 HD11 ILE A 63 -1.806 10.697 -3.222 1.00 64.33 H new ATOM 0 HD12 ILE A 63 -0.998 9.164 -2.815 1.00 64.33 H new ATOM 0 HD13 ILE A 63 -1.273 10.388 -1.552 1.00 64.33 H new ATOM 1060 N SER A 64 2.237 8.913 0.997 1.00 42.03 N ATOM 1061 CA SER A 64 3.291 8.387 1.882 1.00 33.31 C ATOM 1062 C SER A 64 3.182 6.874 2.098 1.00 12.43 C ATOM 1063 O SER A 64 2.095 6.301 2.060 1.00 14.33 O ATOM 1064 CB SER A 64 3.247 9.100 3.246 1.00 42.20 C ATOM 1065 OG SER A 64 3.472 10.500 3.118 1.00 43.43 O ATOM 0 H SER A 64 1.344 8.424 1.060 1.00 42.03 H new ATOM 0 HA SER A 64 4.241 8.582 1.385 1.00 33.31 H new ATOM 0 HB2 SER A 64 2.278 8.929 3.715 1.00 42.20 H new ATOM 0 HB3 SER A 64 4.000 8.670 3.906 1.00 42.20 H new ATOM 0 HG SER A 64 3.435 10.919 4.003 1.00 43.43 H new ATOM 1071 N LEU A 65 4.329 6.239 2.331 1.00 64.13 N ATOM 1072 CA LEU A 65 4.390 4.803 2.627 1.00 41.34 C ATOM 1073 C LEU A 65 5.473 4.508 3.676 1.00 50.04 C ATOM 1074 O LEU A 65 6.609 4.981 3.562 1.00 1.32 O ATOM 1075 CB LEU A 65 4.689 4.014 1.345 1.00 54.45 C ATOM 1076 CG LEU A 65 4.851 2.492 1.526 1.00 41.35 C ATOM 1077 CD1 LEU A 65 3.537 1.850 1.964 1.00 30.31 C ATOM 1078 CD2 LEU A 65 5.372 1.850 0.242 1.00 54.35 C ATOM 0 H LEU A 65 5.239 6.699 2.321 1.00 64.13 H new ATOM 0 HA LEU A 65 3.423 4.496 3.026 1.00 41.34 H new ATOM 0 HB2 LEU A 65 3.884 4.194 0.632 1.00 54.45 H new ATOM 0 HB3 LEU A 65 5.603 4.409 0.901 1.00 54.45 H new ATOM 0 HG LEU A 65 5.584 2.320 2.314 1.00 41.35 H new ATOM 0 HD11 LEU A 65 3.679 0.776 2.084 1.00 30.31 H new ATOM 0 HD12 LEU A 65 3.219 2.283 2.913 1.00 30.31 H new ATOM 0 HD13 LEU A 65 2.773 2.032 1.208 1.00 30.31 H new ATOM 0 HD21 LEU A 65 5.480 0.775 0.390 1.00 54.35 H new ATOM 0 HD22 LEU A 65 4.668 2.036 -0.569 1.00 54.35 H new ATOM 0 HD23 LEU A 65 6.341 2.280 -0.013 1.00 54.35 H new ATOM 1090 N TYR A 66 5.120 3.752 4.713 1.00 63.31 N ATOM 1091 CA TYR A 66 6.104 3.315 5.710 1.00 21.31 C ATOM 1092 C TYR A 66 5.813 1.892 6.216 1.00 53.24 C ATOM 1093 O TYR A 66 4.660 1.451 6.244 1.00 34.33 O ATOM 1094 CB TYR A 66 6.171 4.303 6.890 1.00 12.54 C ATOM 1095 CG TYR A 66 4.896 4.422 7.711 1.00 52.12 C ATOM 1096 CD1 TYR A 66 3.884 5.302 7.338 1.00 31.34 C ATOM 1097 CD2 TYR A 66 4.715 3.668 8.870 1.00 12.13 C ATOM 1098 CE1 TYR A 66 2.732 5.425 8.092 1.00 12.22 C ATOM 1099 CE2 TYR A 66 3.567 3.791 9.629 1.00 73.43 C ATOM 1100 CZ TYR A 66 2.578 4.670 9.235 1.00 1.13 C ATOM 1101 OH TYR A 66 1.430 4.797 9.993 1.00 64.03 O ATOM 0 H TYR A 66 4.168 3.429 4.887 1.00 63.31 H new ATOM 0 HA TYR A 66 7.075 3.298 5.216 1.00 21.31 H new ATOM 0 HB2 TYR A 66 6.982 3.999 7.551 1.00 12.54 H new ATOM 0 HB3 TYR A 66 6.428 5.289 6.503 1.00 12.54 H new ATOM 0 HD1 TYR A 66 4.001 5.898 6.445 1.00 31.34 H new ATOM 0 HD2 TYR A 66 5.485 2.977 9.179 1.00 12.13 H new ATOM 0 HE1 TYR A 66 1.955 6.110 7.787 1.00 12.22 H new ATOM 0 HE2 TYR A 66 3.444 3.202 10.526 1.00 73.43 H new ATOM 0 HH TYR A 66 1.479 4.194 10.764 1.00 64.03 H new ATOM 1111 N GLN A 67 6.869 1.176 6.603 1.00 12.12 N ATOM 1112 CA GLN A 67 6.731 -0.163 7.191 1.00 24.30 C ATOM 1113 C GLN A 67 7.553 -0.281 8.487 1.00 63.34 C ATOM 1114 O GLN A 67 8.693 0.186 8.560 1.00 72.11 O ATOM 1115 CB GLN A 67 7.176 -1.252 6.200 1.00 1.10 C ATOM 1116 CG GLN A 67 8.637 -1.144 5.772 1.00 40.25 C ATOM 1117 CD GLN A 67 9.158 -2.426 5.140 1.00 62.12 C ATOM 1118 OE1 GLN A 67 9.660 -3.305 5.829 1.00 72.02 O ATOM 1119 NE2 GLN A 67 9.062 -2.539 3.832 1.00 54.00 N ATOM 0 H GLN A 67 7.833 1.499 6.521 1.00 12.12 H new ATOM 0 HA GLN A 67 5.676 -0.309 7.424 1.00 24.30 H new ATOM 0 HB2 GLN A 67 7.012 -2.230 6.653 1.00 1.10 H new ATOM 0 HB3 GLN A 67 6.544 -1.202 5.313 1.00 1.10 H new ATOM 0 HG2 GLN A 67 8.744 -0.324 5.062 1.00 40.25 H new ATOM 0 HG3 GLN A 67 9.249 -0.896 6.640 1.00 40.25 H new ATOM 0 HE21 GLN A 67 8.639 -1.789 3.285 1.00 54.00 H new ATOM 0 HE22 GLN A 67 9.411 -3.376 3.365 1.00 54.00 H new ATOM 1128 N ASP A 68 6.971 -0.903 9.508 1.00 42.22 N ATOM 1129 CA ASP A 68 7.668 -1.110 10.786 1.00 35.32 C ATOM 1130 C ASP A 68 8.296 -2.516 10.861 1.00 52.51 C ATOM 1131 O ASP A 68 7.866 -3.435 10.164 1.00 70.35 O ATOM 1132 CB ASP A 68 6.695 -0.899 11.956 1.00 15.55 C ATOM 1133 CG ASP A 68 7.392 -0.972 13.304 1.00 22.00 C ATOM 1134 OD1 ASP A 68 7.999 0.031 13.719 1.00 62.21 O ATOM 1135 OD2 ASP A 68 7.363 -2.048 13.939 1.00 12.43 O ATOM 0 H ASP A 68 6.021 -1.274 9.482 1.00 42.22 H new ATOM 0 HA ASP A 68 8.474 -0.380 10.854 1.00 35.32 H new ATOM 0 HB2 ASP A 68 6.210 0.072 11.852 1.00 15.55 H new ATOM 0 HB3 ASP A 68 5.910 -1.654 11.914 1.00 15.55 H new ATOM 1140 N ASN A 69 9.297 -2.675 11.733 1.00 74.13 N ATOM 1141 CA ASN A 69 10.004 -3.957 11.906 1.00 15.34 C ATOM 1142 C ASN A 69 9.040 -5.107 12.263 1.00 74.44 C ATOM 1143 O ASN A 69 9.322 -6.273 11.991 1.00 71.42 O ATOM 1144 CB ASN A 69 11.075 -3.808 12.993 1.00 55.41 C ATOM 1145 CG ASN A 69 11.923 -5.056 13.167 1.00 54.35 C ATOM 1146 OD1 ASN A 69 11.596 -5.944 13.949 1.00 32.41 O ATOM 1147 ND2 ASN A 69 13.024 -5.131 12.451 1.00 74.23 N ATOM 0 H ASN A 69 9.641 -1.928 12.336 1.00 74.13 H new ATOM 0 HA ASN A 69 10.473 -4.212 10.956 1.00 15.34 H new ATOM 0 HB2 ASN A 69 11.723 -2.967 12.744 1.00 55.41 H new ATOM 0 HB3 ASN A 69 10.592 -3.569 13.940 1.00 55.41 H new ATOM 0 HD21 ASN A 69 13.634 -5.944 12.537 1.00 74.23 H new ATOM 0 HD22 ASN A 69 13.268 -4.376 11.810 1.00 74.23 H new ATOM 1154 N THR A 70 7.899 -4.772 12.869 1.00 60.32 N ATOM 1155 CA THR A 70 6.886 -5.780 13.228 1.00 51.42 C ATOM 1156 C THR A 70 6.169 -6.341 11.986 1.00 54.34 C ATOM 1157 O THR A 70 5.319 -7.230 12.096 1.00 24.30 O ATOM 1158 CB THR A 70 5.817 -5.211 14.199 1.00 34.11 C ATOM 1159 OG1 THR A 70 4.934 -6.258 14.643 1.00 61.23 O ATOM 1160 CG2 THR A 70 4.994 -4.110 13.535 1.00 22.55 C ATOM 0 H THR A 70 7.649 -3.816 13.123 1.00 60.32 H new ATOM 0 HA THR A 70 7.432 -6.582 13.724 1.00 51.42 H new ATOM 0 HB THR A 70 6.344 -4.788 15.054 1.00 34.11 H new ATOM 0 HG1 THR A 70 4.772 -6.883 13.906 1.00 61.23 H new ATOM 0 HG21 THR A 70 4.254 -3.733 14.241 1.00 22.55 H new ATOM 0 HG22 THR A 70 5.653 -3.297 13.230 1.00 22.55 H new ATOM 0 HG23 THR A 70 4.486 -4.513 12.659 1.00 22.55 H new ATOM 1168 N GLY A 71 6.512 -5.818 10.812 1.00 53.35 N ATOM 1169 CA GLY A 71 5.894 -6.265 9.570 1.00 2.35 C ATOM 1170 C GLY A 71 4.616 -5.508 9.225 1.00 20.10 C ATOM 1171 O GLY A 71 3.809 -5.980 8.428 1.00 12.52 O ATOM 0 H GLY A 71 7.213 -5.086 10.696 1.00 53.35 H new ATOM 0 HA2 GLY A 71 6.608 -6.149 8.755 1.00 2.35 H new ATOM 0 HA3 GLY A 71 5.668 -7.329 9.647 1.00 2.35 H new ATOM 1175 N ARG A 72 4.422 -4.333 9.824 1.00 43.33 N ATOM 1176 CA ARG A 72 3.217 -3.535 9.570 1.00 44.32 C ATOM 1177 C ARG A 72 3.436 -2.536 8.424 1.00 3.12 C ATOM 1178 O ARG A 72 4.223 -1.595 8.549 1.00 54.34 O ATOM 1179 CB ARG A 72 2.776 -2.782 10.835 1.00 44.02 C ATOM 1180 CG ARG A 72 1.430 -2.073 10.672 1.00 55.23 C ATOM 1181 CD ARG A 72 1.034 -1.275 11.913 1.00 75.42 C ATOM 1182 NE ARG A 72 -0.305 -0.694 11.783 1.00 61.31 N ATOM 1183 CZ ARG A 72 -0.557 0.588 11.728 1.00 4.45 C ATOM 1184 NH1 ARG A 72 0.399 1.458 11.807 1.00 1.34 N ATOM 1185 NH2 ARG A 72 -1.777 1.000 11.602 1.00 3.24 N ATOM 0 H ARG A 72 5.077 -3.913 10.484 1.00 43.33 H new ATOM 0 HA ARG A 72 2.429 -4.230 9.279 1.00 44.32 H new ATOM 0 HB2 ARG A 72 2.711 -3.485 11.665 1.00 44.02 H new ATOM 0 HB3 ARG A 72 3.537 -2.048 11.098 1.00 44.02 H new ATOM 0 HG2 ARG A 72 1.478 -1.403 9.813 1.00 55.23 H new ATOM 0 HG3 ARG A 72 0.658 -2.812 10.457 1.00 55.23 H new ATOM 0 HD2 ARG A 72 1.065 -1.925 12.788 1.00 75.42 H new ATOM 0 HD3 ARG A 72 1.760 -0.480 12.081 1.00 75.42 H new ATOM 0 HE ARG A 72 -1.097 -1.335 11.732 1.00 61.31 H new ATOM 0 HH11 ARG A 72 1.364 1.147 11.914 1.00 1.34 H new ATOM 0 HH12 ARG A 72 0.187 2.455 11.763 1.00 1.34 H new ATOM 0 HH21 ARG A 72 -2.540 0.325 11.546 1.00 3.24 H new ATOM 0 HH22 ARG A 72 -1.976 1.999 11.559 1.00 3.24 H new ATOM 1199 N VAL A 73 2.738 -2.754 7.315 1.00 33.31 N ATOM 1200 CA VAL A 73 2.782 -1.848 6.164 1.00 13.32 C ATOM 1201 C VAL A 73 1.624 -0.838 6.225 1.00 72.41 C ATOM 1202 O VAL A 73 0.485 -1.213 6.513 1.00 13.41 O ATOM 1203 CB VAL A 73 2.697 -2.638 4.833 1.00 30.43 C ATOM 1204 CG1 VAL A 73 2.698 -1.695 3.629 1.00 2.30 C ATOM 1205 CG2 VAL A 73 3.836 -3.654 4.738 1.00 5.22 C ATOM 0 H VAL A 73 2.126 -3.560 7.185 1.00 33.31 H new ATOM 0 HA VAL A 73 3.732 -1.314 6.202 1.00 13.32 H new ATOM 0 HB VAL A 73 1.753 -3.183 4.822 1.00 30.43 H new ATOM 0 HG11 VAL A 73 2.638 -2.278 2.710 1.00 2.30 H new ATOM 0 HG12 VAL A 73 1.840 -1.025 3.691 1.00 2.30 H new ATOM 0 HG13 VAL A 73 3.617 -1.109 3.627 1.00 2.30 H new ATOM 0 HG21 VAL A 73 3.760 -4.199 3.797 1.00 5.22 H new ATOM 0 HG22 VAL A 73 4.793 -3.133 4.779 1.00 5.22 H new ATOM 0 HG23 VAL A 73 3.769 -4.355 5.570 1.00 5.22 H new ATOM 1215 N THR A 74 1.912 0.439 5.977 1.00 4.03 N ATOM 1216 CA THR A 74 0.869 1.477 5.986 1.00 62.51 C ATOM 1217 C THR A 74 1.019 2.464 4.820 1.00 34.31 C ATOM 1218 O THR A 74 2.038 3.147 4.692 1.00 11.00 O ATOM 1219 CB THR A 74 0.866 2.270 7.316 1.00 20.41 C ATOM 1220 OG1 THR A 74 0.679 1.377 8.428 1.00 21.02 O ATOM 1221 CG2 THR A 74 -0.239 3.325 7.326 1.00 74.33 C ATOM 0 H THR A 74 2.849 0.783 5.768 1.00 4.03 H new ATOM 0 HA THR A 74 -0.078 0.948 5.876 1.00 62.51 H new ATOM 0 HB THR A 74 1.830 2.771 7.406 1.00 20.41 H new ATOM 0 HG1 THR A 74 0.680 1.890 9.263 1.00 21.02 H new ATOM 0 HG21 THR A 74 -0.217 3.866 8.272 1.00 74.33 H new ATOM 0 HG22 THR A 74 -0.082 4.024 6.504 1.00 74.33 H new ATOM 0 HG23 THR A 74 -1.207 2.839 7.209 1.00 74.33 H new ATOM 1229 N LEU A 75 -0.011 2.532 3.975 1.00 31.54 N ATOM 1230 CA LEU A 75 -0.067 3.489 2.866 1.00 64.11 C ATOM 1231 C LEU A 75 -0.985 4.674 3.216 1.00 11.10 C ATOM 1232 O LEU A 75 -2.171 4.489 3.502 1.00 75.13 O ATOM 1233 CB LEU A 75 -0.581 2.791 1.596 1.00 11.20 C ATOM 1234 CG LEU A 75 -0.691 3.685 0.347 1.00 41.42 C ATOM 1235 CD1 LEU A 75 0.687 4.167 -0.097 1.00 10.34 C ATOM 1236 CD2 LEU A 75 -1.402 2.951 -0.790 1.00 44.51 C ATOM 0 H LEU A 75 -0.829 1.927 4.039 1.00 31.54 H new ATOM 0 HA LEU A 75 0.939 3.869 2.688 1.00 64.11 H new ATOM 0 HB2 LEU A 75 0.082 1.957 1.367 1.00 11.20 H new ATOM 0 HB3 LEU A 75 -1.563 2.369 1.807 1.00 11.20 H new ATOM 0 HG LEU A 75 -1.288 4.558 0.609 1.00 41.42 H new ATOM 0 HD11 LEU A 75 0.585 4.797 -0.981 1.00 10.34 H new ATOM 0 HD12 LEU A 75 1.148 4.741 0.707 1.00 10.34 H new ATOM 0 HD13 LEU A 75 1.314 3.308 -0.334 1.00 10.34 H new ATOM 0 HD21 LEU A 75 -1.467 3.604 -1.660 1.00 44.51 H new ATOM 0 HD22 LEU A 75 -0.841 2.054 -1.051 1.00 44.51 H new ATOM 0 HD23 LEU A 75 -2.406 2.671 -0.471 1.00 44.51 H new ATOM 1248 N LEU A 76 -0.433 5.883 3.193 1.00 14.33 N ATOM 1249 CA LEU A 76 -1.192 7.095 3.522 1.00 2.24 C ATOM 1250 C LEU A 76 -1.494 7.923 2.264 1.00 13.33 C ATOM 1251 O LEU A 76 -0.581 8.381 1.575 1.00 71.52 O ATOM 1252 CB LEU A 76 -0.412 7.954 4.528 1.00 71.41 C ATOM 1253 CG LEU A 76 -0.063 7.264 5.857 1.00 63.30 C ATOM 1254 CD1 LEU A 76 0.719 8.214 6.763 1.00 14.35 C ATOM 1255 CD2 LEU A 76 -1.331 6.761 6.549 1.00 32.32 C ATOM 0 H LEU A 76 0.542 6.055 2.949 1.00 14.33 H new ATOM 0 HA LEU A 76 -2.138 6.784 3.965 1.00 2.24 H new ATOM 0 HB2 LEU A 76 0.513 8.285 4.056 1.00 71.41 H new ATOM 0 HB3 LEU A 76 -0.996 8.848 4.745 1.00 71.41 H new ATOM 0 HG LEU A 76 0.570 6.402 5.647 1.00 63.30 H new ATOM 0 HD11 LEU A 76 0.958 7.710 7.699 1.00 14.35 H new ATOM 0 HD12 LEU A 76 1.642 8.513 6.266 1.00 14.35 H new ATOM 0 HD13 LEU A 76 0.116 9.098 6.971 1.00 14.35 H new ATOM 0 HD21 LEU A 76 -1.065 6.275 7.488 1.00 32.32 H new ATOM 0 HD22 LEU A 76 -1.994 7.603 6.751 1.00 32.32 H new ATOM 0 HD23 LEU A 76 -1.839 6.046 5.902 1.00 32.32 H new ATOM 1267 N ILE A 77 -2.781 8.112 1.975 1.00 64.44 N ATOM 1268 CA ILE A 77 -3.215 8.921 0.828 1.00 52.23 C ATOM 1269 C ILE A 77 -4.075 10.109 1.292 1.00 62.33 C ATOM 1270 O ILE A 77 -5.180 9.927 1.799 1.00 5.24 O ATOM 1271 CB ILE A 77 -4.015 8.068 -0.186 1.00 12.13 C ATOM 1272 CG1 ILE A 77 -3.189 6.842 -0.618 1.00 64.40 C ATOM 1273 CG2 ILE A 77 -4.423 8.906 -1.401 1.00 24.31 C ATOM 1274 CD1 ILE A 77 -3.934 5.890 -1.524 1.00 13.35 C ATOM 0 H ILE A 77 -3.547 7.716 2.520 1.00 64.44 H new ATOM 0 HA ILE A 77 -2.318 9.299 0.337 1.00 52.23 H new ATOM 0 HB ILE A 77 -4.926 7.718 0.299 1.00 12.13 H new ATOM 0 HG12 ILE A 77 -2.289 7.184 -1.128 1.00 64.40 H new ATOM 0 HG13 ILE A 77 -2.865 6.303 0.272 1.00 64.40 H new ATOM 0 HG21 ILE A 77 -4.984 8.285 -2.099 1.00 24.31 H new ATOM 0 HG22 ILE A 77 -5.046 9.739 -1.076 1.00 24.31 H new ATOM 0 HG23 ILE A 77 -3.530 9.291 -1.894 1.00 24.31 H new ATOM 0 HD11 ILE A 77 -3.286 5.053 -1.784 1.00 13.35 H new ATOM 0 HD12 ILE A 77 -4.820 5.517 -1.010 1.00 13.35 H new ATOM 0 HD13 ILE A 77 -4.235 6.412 -2.432 1.00 13.35 H new ATOM 1286 N LYS A 78 -3.555 11.319 1.118 1.00 73.43 N ATOM 1287 CA LYS A 78 -4.223 12.544 1.579 1.00 4.33 C ATOM 1288 C LYS A 78 -4.685 13.401 0.390 1.00 13.11 C ATOM 1289 O LYS A 78 -4.121 13.309 -0.701 1.00 22.43 O ATOM 1290 CB LYS A 78 -3.257 13.379 2.436 1.00 63.44 C ATOM 1291 CG LYS A 78 -2.551 12.606 3.546 1.00 34.53 C ATOM 1292 CD LYS A 78 -1.574 13.502 4.309 1.00 33.42 C ATOM 1293 CE LYS A 78 -0.744 12.717 5.317 1.00 22.45 C ATOM 1294 NZ LYS A 78 0.200 13.596 6.060 1.00 32.24 N ATOM 0 H LYS A 78 -2.661 11.485 0.655 1.00 73.43 H new ATOM 0 HA LYS A 78 -5.091 12.248 2.168 1.00 4.33 H new ATOM 0 HB2 LYS A 78 -2.503 13.819 1.783 1.00 63.44 H new ATOM 0 HB3 LYS A 78 -3.812 14.204 2.884 1.00 63.44 H new ATOM 0 HG2 LYS A 78 -3.290 12.199 4.236 1.00 34.53 H new ATOM 0 HG3 LYS A 78 -2.014 11.759 3.118 1.00 34.53 H new ATOM 0 HD2 LYS A 78 -0.910 13.998 3.601 1.00 33.42 H new ATOM 0 HD3 LYS A 78 -2.129 14.284 4.828 1.00 33.42 H new ATOM 0 HE2 LYS A 78 -1.407 12.217 6.023 1.00 22.45 H new ATOM 0 HE3 LYS A 78 -0.184 11.938 4.799 1.00 22.45 H new ATOM 0 HZ1 LYS A 78 0.970 13.021 6.457 1.00 32.24 H new ATOM 0 HZ2 LYS A 78 0.597 14.306 5.412 1.00 32.24 H new ATOM 0 HZ3 LYS A 78 -0.307 14.076 6.831 1.00 32.24 H new ATOM 1308 N ASP A 79 -5.710 14.231 0.608 1.00 21.33 N ATOM 1309 CA ASP A 79 -6.150 15.220 -0.392 1.00 51.02 C ATOM 1310 C ASP A 79 -6.512 14.561 -1.746 1.00 35.50 C ATOM 1311 O ASP A 79 -6.511 15.211 -2.796 1.00 63.22 O ATOM 1312 CB ASP A 79 -5.045 16.280 -0.562 1.00 22.01 C ATOM 1313 CG ASP A 79 -5.466 17.466 -1.410 1.00 72.14 C ATOM 1314 OD1 ASP A 79 -6.403 18.191 -1.005 1.00 11.25 O ATOM 1315 OD2 ASP A 79 -4.861 17.693 -2.478 1.00 53.24 O ATOM 0 H ASP A 79 -6.255 14.240 1.470 1.00 21.33 H new ATOM 0 HA ASP A 79 -7.063 15.697 -0.035 1.00 51.02 H new ATOM 0 HB2 ASP A 79 -4.741 16.637 0.422 1.00 22.01 H new ATOM 0 HB3 ASP A 79 -4.171 15.812 -1.015 1.00 22.01 H new ATOM 1320 N VAL A 80 -6.862 13.279 -1.706 1.00 2.45 N ATOM 1321 CA VAL A 80 -7.158 12.510 -2.923 1.00 74.01 C ATOM 1322 C VAL A 80 -8.488 12.957 -3.564 1.00 63.21 C ATOM 1323 O VAL A 80 -9.441 13.295 -2.865 1.00 75.31 O ATOM 1324 CB VAL A 80 -7.213 10.987 -2.618 1.00 63.34 C ATOM 1325 CG1 VAL A 80 -8.477 10.627 -1.848 1.00 3.03 C ATOM 1326 CG2 VAL A 80 -7.114 10.160 -3.896 1.00 42.22 C ATOM 0 H VAL A 80 -6.949 12.743 -0.842 1.00 2.45 H new ATOM 0 HA VAL A 80 -6.351 12.704 -3.629 1.00 74.01 H new ATOM 0 HB VAL A 80 -6.352 10.749 -1.994 1.00 63.34 H new ATOM 0 HG11 VAL A 80 -8.489 9.555 -1.648 1.00 3.03 H new ATOM 0 HG12 VAL A 80 -8.496 11.172 -0.904 1.00 3.03 H new ATOM 0 HG13 VAL A 80 -9.352 10.895 -2.440 1.00 3.03 H new ATOM 0 HG21 VAL A 80 -7.156 9.100 -3.647 1.00 42.22 H new ATOM 0 HG22 VAL A 80 -7.944 10.411 -4.557 1.00 42.22 H new ATOM 0 HG23 VAL A 80 -6.172 10.378 -4.398 1.00 42.22 H new ATOM 1336 N ASN A 81 -8.543 12.974 -4.893 1.00 22.42 N ATOM 1337 CA ASN A 81 -9.772 13.346 -5.611 1.00 52.33 C ATOM 1338 C ASN A 81 -10.234 12.236 -6.574 1.00 14.42 C ATOM 1339 O ASN A 81 -9.593 11.192 -6.684 1.00 51.43 O ATOM 1340 CB ASN A 81 -9.575 14.681 -6.347 1.00 11.23 C ATOM 1341 CG ASN A 81 -8.253 14.755 -7.080 1.00 10.11 C ATOM 1342 OD1 ASN A 81 -7.248 15.187 -6.527 1.00 72.55 O ATOM 1343 ND2 ASN A 81 -8.241 14.357 -8.333 1.00 73.05 N ATOM 0 H ASN A 81 -7.757 12.736 -5.498 1.00 22.42 H new ATOM 0 HA ASN A 81 -10.566 13.471 -4.874 1.00 52.33 H new ATOM 0 HB2 ASN A 81 -10.389 14.822 -7.059 1.00 11.23 H new ATOM 0 HB3 ASN A 81 -9.634 15.499 -5.629 1.00 11.23 H new ATOM 0 HD21 ASN A 81 -7.378 14.403 -8.874 1.00 73.05 H new ATOM 0 HD22 ASN A 81 -9.095 14.002 -8.764 1.00 73.05 H new ATOM 1350 N LYS A 82 -11.355 12.473 -7.262 1.00 60.05 N ATOM 1351 CA LYS A 82 -11.982 11.461 -8.133 1.00 61.30 C ATOM 1352 C LYS A 82 -10.990 10.791 -9.104 1.00 65.14 C ATOM 1353 O LYS A 82 -10.933 9.563 -9.189 1.00 12.23 O ATOM 1354 CB LYS A 82 -13.132 12.099 -8.925 1.00 32.23 C ATOM 1355 CG LYS A 82 -14.326 12.496 -8.061 1.00 34.12 C ATOM 1356 CD LYS A 82 -15.019 11.276 -7.464 1.00 4.04 C ATOM 1357 CE LYS A 82 -15.786 10.485 -8.518 1.00 72.23 C ATOM 1358 NZ LYS A 82 -16.240 9.160 -8.010 1.00 24.14 N ATOM 0 H LYS A 82 -11.854 13.362 -7.235 1.00 60.05 H new ATOM 0 HA LYS A 82 -12.359 10.675 -7.478 1.00 61.30 H new ATOM 0 HB2 LYS A 82 -12.759 12.983 -9.442 1.00 32.23 H new ATOM 0 HB3 LYS A 82 -13.466 11.399 -9.691 1.00 32.23 H new ATOM 0 HG2 LYS A 82 -13.992 13.154 -7.259 1.00 34.12 H new ATOM 0 HG3 LYS A 82 -15.038 13.062 -8.662 1.00 34.12 H new ATOM 0 HD2 LYS A 82 -14.277 10.630 -6.995 1.00 4.04 H new ATOM 0 HD3 LYS A 82 -15.705 11.596 -6.680 1.00 4.04 H new ATOM 0 HE2 LYS A 82 -16.651 11.062 -8.845 1.00 72.23 H new ATOM 0 HE3 LYS A 82 -15.152 10.339 -9.392 1.00 72.23 H new ATOM 0 HZ1 LYS A 82 -15.785 8.403 -8.559 1.00 24.14 H new ATOM 0 HZ2 LYS A 82 -15.980 9.065 -7.008 1.00 24.14 H new ATOM 0 HZ3 LYS A 82 -17.273 9.086 -8.108 1.00 24.14 H new ATOM 1372 N LYS A 83 -10.217 11.598 -9.829 1.00 1.24 N ATOM 1373 CA LYS A 83 -9.260 11.082 -10.823 1.00 14.35 C ATOM 1374 C LYS A 83 -8.100 10.290 -10.183 1.00 64.05 C ATOM 1375 O LYS A 83 -7.358 9.600 -10.881 1.00 33.45 O ATOM 1376 CB LYS A 83 -8.699 12.240 -11.660 1.00 42.44 C ATOM 1377 CG LYS A 83 -9.762 13.017 -12.437 1.00 60.01 C ATOM 1378 CD LYS A 83 -10.521 12.125 -13.417 1.00 1.31 C ATOM 1379 CE LYS A 83 -11.533 12.917 -14.238 1.00 73.43 C ATOM 1380 NZ LYS A 83 -12.254 12.061 -15.216 1.00 35.24 N ATOM 0 H LYS A 83 -10.230 12.615 -9.751 1.00 1.24 H new ATOM 0 HA LYS A 83 -9.808 10.388 -11.461 1.00 14.35 H new ATOM 0 HB2 LYS A 83 -8.170 12.928 -11.001 1.00 42.44 H new ATOM 0 HB3 LYS A 83 -7.966 11.845 -12.363 1.00 42.44 H new ATOM 0 HG2 LYS A 83 -10.466 13.467 -11.737 1.00 60.01 H new ATOM 0 HG3 LYS A 83 -9.288 13.833 -12.982 1.00 60.01 H new ATOM 0 HD2 LYS A 83 -9.813 11.636 -14.086 1.00 1.31 H new ATOM 0 HD3 LYS A 83 -11.036 11.337 -12.867 1.00 1.31 H new ATOM 0 HE2 LYS A 83 -12.253 13.387 -13.569 1.00 73.43 H new ATOM 0 HE3 LYS A 83 -11.020 13.719 -14.768 1.00 73.43 H new ATOM 0 HZ1 LYS A 83 -12.931 12.641 -15.752 1.00 35.24 H new ATOM 0 HZ2 LYS A 83 -11.570 11.632 -15.872 1.00 35.24 H new ATOM 0 HZ3 LYS A 83 -12.766 11.310 -14.710 1.00 35.24 H new ATOM 1394 N ASP A 84 -7.946 10.391 -8.864 1.00 5.50 N ATOM 1395 CA ASP A 84 -6.871 9.686 -8.153 1.00 43.31 C ATOM 1396 C ASP A 84 -7.337 8.340 -7.568 1.00 43.21 C ATOM 1397 O ASP A 84 -6.555 7.629 -6.934 1.00 61.41 O ATOM 1398 CB ASP A 84 -6.292 10.572 -7.045 1.00 13.35 C ATOM 1399 CG ASP A 84 -5.468 11.723 -7.599 1.00 61.03 C ATOM 1400 OD1 ASP A 84 -6.044 12.781 -7.904 1.00 3.20 O ATOM 1401 OD2 ASP A 84 -4.233 11.568 -7.729 1.00 1.03 O ATOM 0 H ASP A 84 -8.549 10.953 -8.263 1.00 5.50 H new ATOM 0 HA ASP A 84 -6.094 9.468 -8.886 1.00 43.31 H new ATOM 0 HB2 ASP A 84 -7.106 10.969 -6.438 1.00 13.35 H new ATOM 0 HB3 ASP A 84 -5.670 9.966 -6.386 1.00 13.35 H new ATOM 1406 N ALA A 85 -8.606 7.989 -7.768 1.00 70.54 N ATOM 1407 CA ALA A 85 -9.115 6.700 -7.287 1.00 74.32 C ATOM 1408 C ALA A 85 -8.771 5.573 -8.272 1.00 4.44 C ATOM 1409 O ALA A 85 -8.779 5.773 -9.487 1.00 42.21 O ATOM 1410 CB ALA A 85 -10.623 6.777 -7.081 1.00 11.21 C ATOM 0 H ALA A 85 -9.294 8.567 -8.252 1.00 70.54 H new ATOM 0 HA ALA A 85 -8.636 6.477 -6.333 1.00 74.32 H new ATOM 0 HB1 ALA A 85 -10.991 5.815 -6.724 1.00 11.21 H new ATOM 0 HB2 ALA A 85 -10.851 7.548 -6.345 1.00 11.21 H new ATOM 0 HB3 ALA A 85 -11.107 7.023 -8.026 1.00 11.21 H new ATOM 1416 N GLY A 86 -8.483 4.383 -7.746 1.00 70.43 N ATOM 1417 CA GLY A 86 -8.109 3.262 -8.603 1.00 13.14 C ATOM 1418 C GLY A 86 -7.806 1.980 -7.834 1.00 55.23 C ATOM 1419 O GLY A 86 -8.031 1.897 -6.623 1.00 44.35 O ATOM 0 H GLY A 86 -8.501 4.173 -6.748 1.00 70.43 H new ATOM 0 HA2 GLY A 86 -8.917 3.070 -9.309 1.00 13.14 H new ATOM 0 HA3 GLY A 86 -7.233 3.540 -9.189 1.00 13.14 H new ATOM 1423 N TRP A 87 -7.306 0.974 -8.547 1.00 11.43 N ATOM 1424 CA TRP A 87 -6.836 -0.267 -7.927 1.00 31.53 C ATOM 1425 C TRP A 87 -5.331 -0.205 -7.624 1.00 23.03 C ATOM 1426 O TRP A 87 -4.515 0.065 -8.508 1.00 70.25 O ATOM 1427 CB TRP A 87 -7.142 -1.469 -8.832 1.00 53.51 C ATOM 1428 CG TRP A 87 -8.577 -1.904 -8.776 1.00 75.41 C ATOM 1429 CD1 TRP A 87 -9.647 -1.313 -9.385 1.00 61.34 C ATOM 1430 CD2 TRP A 87 -9.093 -3.027 -8.059 1.00 45.02 C ATOM 1431 NE1 TRP A 87 -10.798 -2.003 -9.086 1.00 33.12 N ATOM 1432 CE2 TRP A 87 -10.482 -3.061 -8.275 1.00 0.33 C ATOM 1433 CE3 TRP A 87 -8.510 -4.008 -7.252 1.00 5.41 C ATOM 1434 CZ2 TRP A 87 -11.297 -4.041 -7.715 1.00 51.23 C ATOM 1435 CZ3 TRP A 87 -9.320 -4.979 -6.697 1.00 3.22 C ATOM 1436 CH2 TRP A 87 -10.699 -4.989 -6.929 1.00 44.22 C ATOM 0 H TRP A 87 -7.215 0.993 -9.563 1.00 11.43 H new ATOM 0 HA TRP A 87 -7.368 -0.388 -6.983 1.00 31.53 H new ATOM 0 HB2 TRP A 87 -6.887 -1.215 -9.861 1.00 53.51 H new ATOM 0 HB3 TRP A 87 -6.505 -2.305 -8.542 1.00 53.51 H new ATOM 0 HD1 TRP A 87 -9.596 -0.433 -10.009 1.00 61.34 H new ATOM 0 HE1 TRP A 87 -11.734 -1.766 -9.414 1.00 33.12 H new ATOM 0 HE3 TRP A 87 -7.446 -4.007 -7.066 1.00 5.41 H new ATOM 0 HZ2 TRP A 87 -12.362 -4.053 -7.894 1.00 51.23 H new ATOM 0 HZ3 TRP A 87 -8.881 -5.744 -6.073 1.00 3.22 H new ATOM 0 HH2 TRP A 87 -11.305 -5.761 -6.479 1.00 44.22 H new ATOM 1447 N TYR A 88 -4.981 -0.446 -6.363 1.00 61.51 N ATOM 1448 CA TYR A 88 -3.586 -0.437 -5.913 1.00 73.35 C ATOM 1449 C TYR A 88 -3.030 -1.865 -5.805 1.00 52.03 C ATOM 1450 O TYR A 88 -3.444 -2.642 -4.944 1.00 13.22 O ATOM 1451 CB TYR A 88 -3.478 0.267 -4.552 1.00 70.02 C ATOM 1452 CG TYR A 88 -3.927 1.717 -4.571 1.00 44.53 C ATOM 1453 CD1 TYR A 88 -5.267 2.049 -4.757 1.00 14.40 C ATOM 1454 CD2 TYR A 88 -3.013 2.755 -4.409 1.00 50.21 C ATOM 1455 CE1 TYR A 88 -5.680 3.366 -4.781 1.00 1.20 C ATOM 1456 CE2 TYR A 88 -3.423 4.075 -4.429 1.00 44.32 C ATOM 1457 CZ TYR A 88 -4.758 4.374 -4.617 1.00 72.24 C ATOM 1458 OH TYR A 88 -5.173 5.687 -4.639 1.00 74.31 O ATOM 0 H TYR A 88 -5.652 -0.653 -5.624 1.00 61.51 H new ATOM 0 HA TYR A 88 -2.995 0.106 -6.651 1.00 73.35 H new ATOM 0 HB2 TYR A 88 -4.077 -0.279 -3.823 1.00 70.02 H new ATOM 0 HB3 TYR A 88 -2.443 0.222 -4.212 1.00 70.02 H new ATOM 0 HD1 TYR A 88 -5.996 1.262 -4.885 1.00 14.40 H new ATOM 0 HD2 TYR A 88 -1.968 2.525 -4.265 1.00 50.21 H new ATOM 0 HE1 TYR A 88 -6.723 3.604 -4.928 1.00 1.20 H new ATOM 0 HE2 TYR A 88 -2.703 4.869 -4.298 1.00 44.32 H new ATOM 0 HH TYR A 88 -6.078 5.738 -5.012 1.00 74.31 H new ATOM 1468 N THR A 89 -2.092 -2.201 -6.681 1.00 5.40 N ATOM 1469 CA THR A 89 -1.457 -3.525 -6.674 1.00 72.32 C ATOM 1470 C THR A 89 -0.099 -3.474 -5.959 1.00 44.21 C ATOM 1471 O THR A 89 0.846 -2.846 -6.444 1.00 20.11 O ATOM 1472 CB THR A 89 -1.263 -4.064 -8.116 1.00 24.13 C ATOM 1473 OG1 THR A 89 -2.534 -4.137 -8.790 1.00 20.31 O ATOM 1474 CG2 THR A 89 -0.614 -5.446 -8.106 1.00 31.21 C ATOM 0 H THR A 89 -1.749 -1.576 -7.411 1.00 5.40 H new ATOM 0 HA THR A 89 -2.121 -4.201 -6.135 1.00 72.32 H new ATOM 0 HB THR A 89 -0.604 -3.376 -8.645 1.00 24.13 H new ATOM 0 HG1 THR A 89 -2.403 -4.477 -9.700 1.00 20.31 H new ATOM 0 HG21 THR A 89 -0.491 -5.798 -9.130 1.00 31.21 H new ATOM 0 HG22 THR A 89 0.361 -5.386 -7.623 1.00 31.21 H new ATOM 0 HG23 THR A 89 -1.249 -6.142 -7.557 1.00 31.21 H new ATOM 1482 N VAL A 90 -0.013 -4.135 -4.807 1.00 63.30 N ATOM 1483 CA VAL A 90 1.196 -4.095 -3.970 1.00 41.51 C ATOM 1484 C VAL A 90 2.053 -5.367 -4.120 1.00 70.24 C ATOM 1485 O VAL A 90 1.536 -6.483 -4.186 1.00 52.11 O ATOM 1486 CB VAL A 90 0.833 -3.888 -2.472 1.00 55.51 C ATOM 1487 CG1 VAL A 90 -0.110 -4.985 -1.980 1.00 5.03 C ATOM 1488 CG2 VAL A 90 2.095 -3.820 -1.607 1.00 62.25 C ATOM 0 H VAL A 90 -0.766 -4.708 -4.426 1.00 63.30 H new ATOM 0 HA VAL A 90 1.784 -3.247 -4.320 1.00 41.51 H new ATOM 0 HB VAL A 90 0.313 -2.935 -2.382 1.00 55.51 H new ATOM 0 HG11 VAL A 90 -0.348 -4.816 -0.930 1.00 5.03 H new ATOM 0 HG12 VAL A 90 -1.028 -4.966 -2.567 1.00 5.03 H new ATOM 0 HG13 VAL A 90 0.372 -5.956 -2.091 1.00 5.03 H new ATOM 0 HG21 VAL A 90 1.814 -3.675 -0.564 1.00 62.25 H new ATOM 0 HG22 VAL A 90 2.654 -4.750 -1.706 1.00 62.25 H new ATOM 0 HG23 VAL A 90 2.716 -2.986 -1.935 1.00 62.25 H new ATOM 1498 N SER A 91 3.371 -5.180 -4.178 1.00 64.40 N ATOM 1499 CA SER A 91 4.325 -6.295 -4.235 1.00 14.52 C ATOM 1500 C SER A 91 5.459 -6.097 -3.222 1.00 70.23 C ATOM 1501 O SER A 91 5.985 -4.996 -3.072 1.00 25.54 O ATOM 1502 CB SER A 91 4.917 -6.437 -5.645 1.00 51.13 C ATOM 1503 OG SER A 91 3.926 -6.803 -6.595 1.00 62.45 O ATOM 0 H SER A 91 3.809 -4.259 -4.187 1.00 64.40 H new ATOM 0 HA SER A 91 3.781 -7.206 -3.985 1.00 14.52 H new ATOM 0 HB2 SER A 91 5.377 -5.495 -5.943 1.00 51.13 H new ATOM 0 HB3 SER A 91 5.707 -7.188 -5.635 1.00 51.13 H new ATOM 0 HG SER A 91 4.336 -6.883 -7.481 1.00 62.45 H new ATOM 1509 N ALA A 92 5.821 -7.167 -2.525 1.00 15.42 N ATOM 1510 CA ALA A 92 6.930 -7.138 -1.567 1.00 14.43 C ATOM 1511 C ALA A 92 8.032 -8.124 -1.977 1.00 42.43 C ATOM 1512 O ALA A 92 7.809 -9.339 -1.999 1.00 35.22 O ATOM 1513 CB ALA A 92 6.413 -7.461 -0.169 1.00 21.34 C ATOM 0 H ALA A 92 5.361 -8.074 -2.603 1.00 15.42 H new ATOM 0 HA ALA A 92 7.362 -6.137 -1.562 1.00 14.43 H new ATOM 0 HB1 ALA A 92 7.241 -7.438 0.539 1.00 21.34 H new ATOM 0 HB2 ALA A 92 5.666 -6.723 0.122 1.00 21.34 H new ATOM 0 HB3 ALA A 92 5.962 -8.453 -0.168 1.00 21.34 H new ATOM 1519 N VAL A 93 9.217 -7.605 -2.306 1.00 13.44 N ATOM 1520 CA VAL A 93 10.323 -8.448 -2.784 1.00 70.43 C ATOM 1521 C VAL A 93 11.478 -8.554 -1.766 1.00 5.15 C ATOM 1522 O VAL A 93 12.130 -7.565 -1.420 1.00 64.20 O ATOM 1523 CB VAL A 93 10.864 -7.947 -4.150 1.00 20.35 C ATOM 1524 CG1 VAL A 93 11.297 -6.485 -4.074 1.00 55.34 C ATOM 1525 CG2 VAL A 93 12.010 -8.833 -4.644 1.00 41.31 C ATOM 0 H VAL A 93 9.438 -6.611 -2.252 1.00 13.44 H new ATOM 0 HA VAL A 93 9.907 -9.447 -2.910 1.00 70.43 H new ATOM 0 HB VAL A 93 10.050 -8.014 -4.872 1.00 20.35 H new ATOM 0 HG11 VAL A 93 11.671 -6.165 -5.047 1.00 55.34 H new ATOM 0 HG12 VAL A 93 10.444 -5.867 -3.792 1.00 55.34 H new ATOM 0 HG13 VAL A 93 12.085 -6.377 -3.329 1.00 55.34 H new ATOM 0 HG21 VAL A 93 12.371 -8.460 -5.603 1.00 41.31 H new ATOM 0 HG22 VAL A 93 12.823 -8.815 -3.918 1.00 41.31 H new ATOM 0 HG23 VAL A 93 11.653 -9.856 -4.763 1.00 41.31 H new ATOM 1535 N ASN A 94 11.699 -9.771 -1.283 1.00 22.42 N ATOM 1536 CA ASN A 94 12.821 -10.097 -0.391 1.00 52.41 C ATOM 1537 C ASN A 94 13.821 -10.993 -1.140 1.00 25.42 C ATOM 1538 O ASN A 94 13.431 -11.744 -2.034 1.00 2.51 O ATOM 1539 CB ASN A 94 12.273 -10.806 0.866 1.00 14.13 C ATOM 1540 CG ASN A 94 13.329 -11.185 1.903 1.00 21.55 C ATOM 1541 OD1 ASN A 94 14.469 -11.481 1.585 1.00 53.31 O ATOM 1542 ND2 ASN A 94 12.948 -11.190 3.160 1.00 34.03 N ATOM 0 H ASN A 94 11.103 -10.571 -1.497 1.00 22.42 H new ATOM 0 HA ASN A 94 13.339 -9.189 -0.081 1.00 52.41 H new ATOM 0 HB2 ASN A 94 11.537 -10.157 1.339 1.00 14.13 H new ATOM 0 HB3 ASN A 94 11.749 -11.710 0.556 1.00 14.13 H new ATOM 0 HD21 ASN A 94 13.610 -11.445 3.893 1.00 34.03 H new ATOM 0 HD22 ASN A 94 11.990 -10.939 3.403 1.00 34.03 H new ATOM 1549 N GLU A 95 15.099 -10.915 -0.776 1.00 31.35 N ATOM 1550 CA GLU A 95 16.140 -11.752 -1.394 1.00 53.41 C ATOM 1551 C GLU A 95 15.764 -13.247 -1.360 1.00 23.03 C ATOM 1552 O GLU A 95 16.192 -14.027 -2.214 1.00 54.40 O ATOM 1553 CB GLU A 95 17.490 -11.533 -0.687 1.00 11.20 C ATOM 1554 CG GLU A 95 17.484 -11.881 0.801 1.00 65.42 C ATOM 1555 CD GLU A 95 18.848 -11.710 1.454 1.00 41.23 C ATOM 1556 OE1 GLU A 95 19.694 -12.618 1.318 1.00 70.40 O ATOM 1557 OE2 GLU A 95 19.086 -10.668 2.100 1.00 61.11 O ATOM 0 H GLU A 95 15.445 -10.281 -0.055 1.00 31.35 H new ATOM 0 HA GLU A 95 16.226 -11.452 -2.438 1.00 53.41 H new ATOM 0 HB2 GLU A 95 18.250 -12.134 -1.186 1.00 11.20 H new ATOM 0 HB3 GLU A 95 17.783 -10.489 -0.803 1.00 11.20 H new ATOM 0 HG2 GLU A 95 16.759 -11.249 1.314 1.00 65.42 H new ATOM 0 HG3 GLU A 95 17.153 -12.912 0.927 1.00 65.42 H new ATOM 1564 N ALA A 96 14.988 -13.639 -0.348 1.00 3.03 N ATOM 1565 CA ALA A 96 14.468 -15.008 -0.234 1.00 2.22 C ATOM 1566 C ALA A 96 13.362 -15.305 -1.272 1.00 71.02 C ATOM 1567 O ALA A 96 13.302 -16.402 -1.836 1.00 33.23 O ATOM 1568 CB ALA A 96 13.949 -15.251 1.179 1.00 64.53 C ATOM 0 H ALA A 96 14.702 -13.023 0.413 1.00 3.03 H new ATOM 0 HA ALA A 96 15.292 -15.690 -0.442 1.00 2.22 H new ATOM 0 HB1 ALA A 96 13.565 -16.268 1.256 1.00 64.53 H new ATOM 0 HB2 ALA A 96 14.761 -15.115 1.893 1.00 64.53 H new ATOM 0 HB3 ALA A 96 13.149 -14.544 1.400 1.00 64.53 H new ATOM 1574 N GLY A 97 12.496 -14.323 -1.524 1.00 33.33 N ATOM 1575 CA GLY A 97 11.365 -14.525 -2.433 1.00 0.01 C ATOM 1576 C GLY A 97 10.447 -13.306 -2.536 1.00 33.24 C ATOM 1577 O GLY A 97 10.673 -12.293 -1.873 1.00 11.35 O ATOM 0 H GLY A 97 12.553 -13.389 -1.117 1.00 33.33 H new ATOM 0 HA2 GLY A 97 11.744 -14.770 -3.425 1.00 0.01 H new ATOM 0 HA3 GLY A 97 10.783 -15.382 -2.093 1.00 0.01 H new ATOM 1581 N VAL A 98 9.393 -13.405 -3.351 1.00 43.14 N ATOM 1582 CA VAL A 98 8.484 -12.271 -3.590 1.00 40.41 C ATOM 1583 C VAL A 98 7.002 -12.652 -3.383 1.00 43.13 C ATOM 1584 O VAL A 98 6.615 -13.814 -3.532 1.00 11.30 O ATOM 1585 CB VAL A 98 8.675 -11.708 -5.027 1.00 53.01 C ATOM 1586 CG1 VAL A 98 8.316 -12.756 -6.081 1.00 70.12 C ATOM 1587 CG2 VAL A 98 7.867 -10.425 -5.235 1.00 14.23 C ATOM 0 H VAL A 98 9.145 -14.255 -3.857 1.00 43.14 H new ATOM 0 HA VAL A 98 8.741 -11.506 -2.857 1.00 40.41 H new ATOM 0 HB VAL A 98 9.730 -11.459 -5.145 1.00 53.01 H new ATOM 0 HG11 VAL A 98 8.459 -12.335 -7.076 1.00 70.12 H new ATOM 0 HG12 VAL A 98 8.958 -13.628 -5.960 1.00 70.12 H new ATOM 0 HG13 VAL A 98 7.274 -13.053 -5.959 1.00 70.12 H new ATOM 0 HG21 VAL A 98 8.023 -10.057 -6.249 1.00 14.23 H new ATOM 0 HG22 VAL A 98 6.808 -10.633 -5.083 1.00 14.23 H new ATOM 0 HG23 VAL A 98 8.194 -9.669 -4.521 1.00 14.23 H new ATOM 1597 N THR A 99 6.181 -11.665 -3.018 1.00 21.23 N ATOM 1598 CA THR A 99 4.727 -11.863 -2.843 1.00 34.21 C ATOM 1599 C THR A 99 3.925 -10.639 -3.328 1.00 3.51 C ATOM 1600 O THR A 99 4.371 -9.501 -3.180 1.00 72.12 O ATOM 1601 CB THR A 99 4.365 -12.158 -1.368 1.00 20.22 C ATOM 1602 OG1 THR A 99 2.948 -12.312 -1.228 1.00 64.12 O ATOM 1603 CG2 THR A 99 4.856 -11.051 -0.441 1.00 21.33 C ATOM 0 H THR A 99 6.494 -10.712 -2.835 1.00 21.23 H new ATOM 0 HA THR A 99 4.458 -12.726 -3.452 1.00 34.21 H new ATOM 0 HB THR A 99 4.862 -13.086 -1.084 1.00 20.22 H new ATOM 0 HG1 THR A 99 2.752 -12.800 -0.401 1.00 64.12 H new ATOM 0 HG21 THR A 99 4.585 -11.290 0.587 1.00 21.33 H new ATOM 0 HG22 THR A 99 5.940 -10.964 -0.520 1.00 21.33 H new ATOM 0 HG23 THR A 99 4.395 -10.106 -0.727 1.00 21.33 H new ATOM 1611 N THR A 100 2.750 -10.873 -3.923 1.00 12.13 N ATOM 1612 CA THR A 100 1.926 -9.782 -4.488 1.00 10.21 C ATOM 1613 C THR A 100 0.451 -9.870 -4.046 1.00 3.33 C ATOM 1614 O THR A 100 -0.061 -10.952 -3.759 1.00 11.42 O ATOM 1615 CB THR A 100 1.989 -9.792 -6.040 1.00 62.13 C ATOM 1616 OG1 THR A 100 3.351 -9.639 -6.479 1.00 51.15 O ATOM 1617 CG2 THR A 100 1.139 -8.678 -6.652 1.00 62.44 C ATOM 0 H THR A 100 2.344 -11.802 -4.029 1.00 12.13 H new ATOM 0 HA THR A 100 2.343 -8.851 -4.104 1.00 10.21 H new ATOM 0 HB THR A 100 1.591 -10.750 -6.375 1.00 62.13 H new ATOM 0 HG1 THR A 100 3.573 -8.686 -6.529 1.00 51.15 H new ATOM 0 HG21 THR A 100 1.211 -8.721 -7.739 1.00 62.44 H new ATOM 0 HG22 THR A 100 0.099 -8.807 -6.352 1.00 62.44 H new ATOM 0 HG23 THR A 100 1.500 -7.711 -6.302 1.00 62.44 H new ATOM 1625 N CYS A 101 -0.221 -8.714 -3.987 1.00 2.04 N ATOM 1626 CA CYS A 101 -1.661 -8.644 -3.677 1.00 54.35 C ATOM 1627 C CYS A 101 -2.305 -7.396 -4.311 1.00 53.15 C ATOM 1628 O CYS A 101 -1.615 -6.430 -4.639 1.00 33.01 O ATOM 1629 CB CYS A 101 -1.890 -8.629 -2.161 1.00 11.33 C ATOM 1630 SG CYS A 101 -3.634 -8.563 -1.681 1.00 14.24 S ATOM 0 H CYS A 101 0.211 -7.805 -4.151 1.00 2.04 H new ATOM 0 HA CYS A 101 -2.132 -9.532 -4.099 1.00 54.35 H new ATOM 0 HB2 CYS A 101 -1.438 -9.521 -1.727 1.00 11.33 H new ATOM 0 HB3 CYS A 101 -1.373 -7.769 -1.734 1.00 11.33 H new ATOM 0 HG CYS A 101 -3.878 -9.491 -0.804 1.00 14.24 H new ATOM 1636 N ASN A 102 -3.630 -7.415 -4.481 1.00 3.40 N ATOM 1637 CA ASN A 102 -4.355 -6.282 -5.090 1.00 73.33 C ATOM 1638 C ASN A 102 -5.268 -5.572 -4.073 1.00 24.40 C ATOM 1639 O ASN A 102 -5.791 -6.193 -3.146 1.00 32.21 O ATOM 1640 CB ASN A 102 -5.186 -6.757 -6.291 1.00 35.43 C ATOM 1641 CG ASN A 102 -4.335 -7.422 -7.359 1.00 71.35 C ATOM 1642 OD1 ASN A 102 -4.177 -8.638 -7.375 1.00 20.22 O ATOM 1643 ND2 ASN A 102 -3.759 -6.636 -8.249 1.00 32.01 N ATOM 0 H ASN A 102 -4.226 -8.197 -4.209 1.00 3.40 H new ATOM 0 HA ASN A 102 -3.607 -5.565 -5.428 1.00 73.33 H new ATOM 0 HB2 ASN A 102 -5.947 -7.458 -5.948 1.00 35.43 H new ATOM 0 HB3 ASN A 102 -5.710 -5.906 -6.726 1.00 35.43 H new ATOM 0 HD21 ASN A 102 -3.165 -7.037 -8.974 1.00 32.01 H new ATOM 0 HD22 ASN A 102 -3.908 -5.628 -8.211 1.00 32.01 H new ATOM 1650 N THR A 103 -5.462 -4.267 -4.268 1.00 32.24 N ATOM 1651 CA THR A 103 -6.264 -3.435 -3.353 1.00 55.42 C ATOM 1652 C THR A 103 -7.142 -2.448 -4.136 1.00 50.31 C ATOM 1653 O THR A 103 -6.776 -2.022 -5.229 1.00 25.21 O ATOM 1654 CB THR A 103 -5.359 -2.621 -2.392 1.00 75.11 C ATOM 1655 OG1 THR A 103 -4.328 -3.459 -1.853 1.00 43.12 O ATOM 1656 CG2 THR A 103 -6.171 -2.016 -1.249 1.00 5.01 C ATOM 0 H THR A 103 -5.072 -3.754 -5.059 1.00 32.24 H new ATOM 0 HA THR A 103 -6.891 -4.115 -2.777 1.00 55.42 H new ATOM 0 HB THR A 103 -4.909 -1.811 -2.966 1.00 75.11 H new ATOM 0 HG1 THR A 103 -3.639 -2.902 -1.435 1.00 43.12 H new ATOM 0 HG21 THR A 103 -5.510 -1.451 -0.592 1.00 5.01 H new ATOM 0 HG22 THR A 103 -6.933 -1.351 -1.656 1.00 5.01 H new ATOM 0 HG23 THR A 103 -6.651 -2.813 -0.682 1.00 5.01 H new ATOM 1664 N ARG A 104 -8.306 -2.093 -3.593 1.00 13.54 N ATOM 1665 CA ARG A 104 -9.188 -1.102 -4.236 1.00 55.33 C ATOM 1666 C ARG A 104 -9.423 0.125 -3.337 1.00 31.32 C ATOM 1667 O ARG A 104 -9.494 0.007 -2.114 1.00 75.13 O ATOM 1668 CB ARG A 104 -10.539 -1.736 -4.604 1.00 24.41 C ATOM 1669 CG ARG A 104 -11.534 -0.739 -5.194 1.00 23.13 C ATOM 1670 CD ARG A 104 -12.858 -1.387 -5.578 1.00 52.30 C ATOM 1671 NE ARG A 104 -13.822 -0.387 -6.024 1.00 22.53 N ATOM 1672 CZ ARG A 104 -14.367 -0.358 -7.208 1.00 10.12 C ATOM 1673 NH1 ARG A 104 -14.123 -1.289 -8.073 1.00 34.21 N ATOM 1674 NH2 ARG A 104 -15.171 0.602 -7.521 1.00 53.44 N ATOM 0 H ARG A 104 -8.664 -2.470 -2.716 1.00 13.54 H new ATOM 0 HA ARG A 104 -8.684 -0.768 -5.143 1.00 55.33 H new ATOM 0 HB2 ARG A 104 -10.372 -2.540 -5.321 1.00 24.41 H new ATOM 0 HB3 ARG A 104 -10.974 -2.189 -3.713 1.00 24.41 H new ATOM 0 HG2 ARG A 104 -11.719 0.055 -4.470 1.00 23.13 H new ATOM 0 HG3 ARG A 104 -11.094 -0.271 -6.075 1.00 23.13 H new ATOM 0 HD2 ARG A 104 -12.693 -2.117 -6.371 1.00 52.30 H new ATOM 0 HD3 ARG A 104 -13.262 -1.930 -4.724 1.00 52.30 H new ATOM 0 HE ARG A 104 -14.089 0.342 -5.362 1.00 22.53 H new ATOM 0 HH11 ARG A 104 -13.498 -2.058 -7.832 1.00 34.21 H new ATOM 0 HH12 ARG A 104 -14.556 -1.254 -8.996 1.00 34.21 H new ATOM 0 HH21 ARG A 104 -15.378 1.335 -6.843 1.00 53.44 H new ATOM 0 HH22 ARG A 104 -15.599 0.628 -8.447 1.00 53.44 H new ATOM 1688 N LEU A 105 -9.533 1.302 -3.956 1.00 73.02 N ATOM 1689 CA LEU A 105 -9.891 2.533 -3.237 1.00 5.13 C ATOM 1690 C LEU A 105 -10.965 3.322 -4.005 1.00 64.34 C ATOM 1691 O LEU A 105 -10.823 3.581 -5.205 1.00 42.41 O ATOM 1692 CB LEU A 105 -8.653 3.416 -3.026 1.00 64.24 C ATOM 1693 CG LEU A 105 -8.901 4.715 -2.236 1.00 41.12 C ATOM 1694 CD1 LEU A 105 -9.374 4.409 -0.819 1.00 52.44 C ATOM 1695 CD2 LEU A 105 -7.645 5.584 -2.212 1.00 3.22 C ATOM 0 H LEU A 105 -9.379 1.432 -4.956 1.00 73.02 H new ATOM 0 HA LEU A 105 -10.293 2.247 -2.265 1.00 5.13 H new ATOM 0 HB2 LEU A 105 -7.894 2.832 -2.505 1.00 64.24 H new ATOM 0 HB3 LEU A 105 -8.241 3.676 -4.001 1.00 64.24 H new ATOM 0 HG LEU A 105 -9.690 5.272 -2.742 1.00 41.12 H new ATOM 0 HD11 LEU A 105 -9.542 5.343 -0.282 1.00 52.44 H new ATOM 0 HD12 LEU A 105 -10.304 3.842 -0.860 1.00 52.44 H new ATOM 0 HD13 LEU A 105 -8.615 3.824 -0.300 1.00 52.44 H new ATOM 0 HD21 LEU A 105 -7.844 6.496 -1.649 1.00 3.22 H new ATOM 0 HD22 LEU A 105 -6.832 5.035 -1.738 1.00 3.22 H new ATOM 0 HD23 LEU A 105 -7.362 5.842 -3.232 1.00 3.22 H new ATOM 1707 N ASP A 106 -12.034 3.700 -3.309 1.00 51.40 N ATOM 1708 CA ASP A 106 -13.139 4.450 -3.911 1.00 64.51 C ATOM 1709 C ASP A 106 -13.176 5.903 -3.404 1.00 54.24 C ATOM 1710 O ASP A 106 -13.086 6.159 -2.201 1.00 63.12 O ATOM 1711 CB ASP A 106 -14.473 3.758 -3.599 1.00 21.02 C ATOM 1712 CG ASP A 106 -14.600 2.400 -4.268 1.00 52.11 C ATOM 1713 OD1 ASP A 106 -14.039 1.417 -3.746 1.00 31.02 O ATOM 1714 OD2 ASP A 106 -15.269 2.308 -5.323 1.00 50.31 O ATOM 0 H ASP A 106 -12.161 3.498 -2.317 1.00 51.40 H new ATOM 0 HA ASP A 106 -12.980 4.472 -4.989 1.00 64.51 H new ATOM 0 HB2 ASP A 106 -14.571 3.638 -2.520 1.00 21.02 H new ATOM 0 HB3 ASP A 106 -15.294 4.397 -3.925 1.00 21.02 H new ATOM 1719 N VAL A 107 -13.305 6.852 -4.329 1.00 42.11 N ATOM 1720 CA VAL A 107 -13.431 8.272 -3.976 1.00 15.53 C ATOM 1721 C VAL A 107 -14.709 8.876 -4.578 1.00 42.24 C ATOM 1722 O VAL A 107 -15.034 8.628 -5.741 1.00 72.33 O ATOM 1723 CB VAL A 107 -12.206 9.098 -4.453 1.00 23.31 C ATOM 1724 CG1 VAL A 107 -12.357 10.571 -4.064 1.00 31.42 C ATOM 1725 CG2 VAL A 107 -10.911 8.522 -3.881 1.00 73.32 C ATOM 0 H VAL A 107 -13.325 6.667 -5.332 1.00 42.11 H new ATOM 0 HA VAL A 107 -13.481 8.320 -2.888 1.00 15.53 H new ATOM 0 HB VAL A 107 -12.159 9.036 -5.540 1.00 23.31 H new ATOM 0 HG11 VAL A 107 -11.487 11.129 -4.409 1.00 31.42 H new ATOM 0 HG12 VAL A 107 -13.256 10.979 -4.526 1.00 31.42 H new ATOM 0 HG13 VAL A 107 -12.436 10.655 -2.980 1.00 31.42 H new ATOM 0 HG21 VAL A 107 -10.065 9.115 -4.227 1.00 73.32 H new ATOM 0 HG22 VAL A 107 -10.951 8.548 -2.792 1.00 73.32 H new ATOM 0 HG23 VAL A 107 -10.792 7.491 -4.215 1.00 73.32 H new ATOM 1735 N THR A 108 -15.426 9.667 -3.786 1.00 20.23 N ATOM 1736 CA THR A 108 -16.668 10.306 -4.233 1.00 23.31 C ATOM 1737 C THR A 108 -16.516 11.832 -4.303 1.00 13.42 C ATOM 1738 O THR A 108 -15.811 12.440 -3.495 1.00 41.04 O ATOM 1739 CB THR A 108 -17.857 9.925 -3.309 1.00 60.40 C ATOM 1740 OG1 THR A 108 -18.149 8.524 -3.451 1.00 15.25 O ATOM 1741 CG2 THR A 108 -19.112 10.735 -3.626 1.00 5.34 C ATOM 0 H THR A 108 -15.169 9.885 -2.823 1.00 20.23 H new ATOM 0 HA THR A 108 -16.880 9.938 -5.237 1.00 23.31 H new ATOM 0 HB THR A 108 -17.562 10.151 -2.284 1.00 60.40 H new ATOM 0 HG1 THR A 108 -18.898 8.285 -2.866 1.00 15.25 H new ATOM 0 HG21 THR A 108 -19.918 10.435 -2.956 1.00 5.34 H new ATOM 0 HG22 THR A 108 -18.904 11.796 -3.491 1.00 5.34 H new ATOM 0 HG23 THR A 108 -19.412 10.552 -4.658 1.00 5.34 H new ATOM 1749 N ALA A 109 -17.187 12.447 -5.274 1.00 31.23 N ATOM 1750 CA ALA A 109 -17.039 13.879 -5.531 1.00 70.41 C ATOM 1751 C ALA A 109 -17.763 14.724 -4.479 1.00 43.44 C ATOM 1752 O ALA A 109 -18.892 14.424 -4.087 1.00 20.01 O ATOM 1753 CB ALA A 109 -17.553 14.216 -6.927 1.00 62.12 C ATOM 0 H ALA A 109 -17.841 11.975 -5.898 1.00 31.23 H new ATOM 0 HA ALA A 109 -15.978 14.120 -5.470 1.00 70.41 H new ATOM 0 HB1 ALA A 109 -17.438 15.285 -7.109 1.00 62.12 H new ATOM 0 HB2 ALA A 109 -16.982 13.658 -7.669 1.00 62.12 H new ATOM 0 HB3 ALA A 109 -18.606 13.946 -7.002 1.00 62.12 H new