USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=28 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 -88:sc= 1.13 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 0.959 F(o=-0.14,f=2.1) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.616 USER MOD Set 2.2: A 100 THR OG1 : rot -99:sc= 0.701 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 GLN : amide:sc= -1.15 K(o=-1.1,f=-3!) USER MOD Set 4.2: A 70 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 13 LYS NZ :NH3+ -112:sc= 1.24 (180deg=-0.452) USER MOD Single : A 17 MET CE :methyl 167:sc= 0 (180deg=-0.212) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0591 (180deg=-0.372) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= -0.921! (180deg=-1.99!) 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+ 179:sc= 1.03 (180deg=1.03) USER MOD Single : A 37 CYS SG : rot 136:sc= -0.361! 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= -0.321 K(o=-0.32,f=-5.8!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 55 MET CE :methyl -148:sc= -1.61 (180deg=-3.12!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 0.979 (180deg=0.661) USER MOD Single : A 81 ASN : amide:sc= -0.5 K(o=-0.5,f=-2.4) USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 0.569 (180deg=0.126) USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.134) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.454 USER MOD Single : A 94 ASN : amide:sc= -2.87! C(o=-2.9!,f=-12!) USER MOD Single : A 99 THR OG1 : rot -95:sc= 0.566 USER MOD Single : A 101 CYS SG : rot -49:sc= 0.0875 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.947 -17.183 6.909 1.00 51.30 N ATOM 198 CA LYS A 13 16.267 -16.581 5.751 1.00 74.55 C ATOM 199 C LYS A 13 14.762 -16.928 5.747 1.00 63.32 C ATOM 200 O LYS A 13 14.390 -18.102 5.740 1.00 4.33 O ATOM 201 CB LYS A 13 16.926 -17.062 4.449 1.00 2.21 C ATOM 202 CG LYS A 13 18.400 -16.674 4.330 1.00 61.32 C ATOM 203 CD LYS A 13 19.035 -17.214 3.050 1.00 1.23 C ATOM 204 CE LYS A 13 18.363 -16.656 1.801 1.00 64.12 C ATOM 205 NZ LYS A 13 19.032 -17.122 0.560 1.00 60.42 N ATOM 0 HA LYS A 13 16.363 -15.498 5.823 1.00 74.55 H new ATOM 0 HB2 LYS A 13 16.838 -18.147 4.386 1.00 2.21 H new ATOM 0 HB3 LYS A 13 16.380 -16.648 3.601 1.00 2.21 H new ATOM 0 HG2 LYS A 13 18.491 -15.588 4.349 1.00 61.32 H new ATOM 0 HG3 LYS A 13 18.946 -17.055 5.193 1.00 61.32 H new ATOM 0 HD2 LYS A 13 20.095 -16.960 3.036 1.00 1.23 H new ATOM 0 HD3 LYS A 13 18.968 -18.302 3.043 1.00 1.23 H new ATOM 0 HE2 LYS A 13 17.316 -16.959 1.785 1.00 64.12 H new ATOM 0 HE3 LYS A 13 18.379 -15.567 1.835 1.00 64.12 H new ATOM 0 HZ1 LYS A 13 19.499 -16.318 0.095 1.00 60.42 H new ATOM 0 HZ2 LYS A 13 19.741 -17.844 0.798 1.00 60.42 H new ATOM 0 HZ3 LYS A 13 18.324 -17.531 -0.083 1.00 60.42 H new ATOM 219 N ARG A 14 13.905 -15.906 5.745 1.00 35.42 N ATOM 220 CA ARG A 14 12.446 -16.100 5.759 1.00 13.52 C ATOM 221 C ARG A 14 11.773 -15.374 4.576 1.00 3.23 C ATOM 222 O ARG A 14 12.019 -14.187 4.342 1.00 64.41 O ATOM 223 CB ARG A 14 11.863 -15.582 7.087 1.00 73.50 C ATOM 224 CG ARG A 14 10.339 -15.667 7.185 1.00 24.11 C ATOM 225 CD ARG A 14 9.845 -17.105 7.313 1.00 3.00 C ATOM 226 NE ARG A 14 10.255 -17.724 8.575 1.00 5.53 N ATOM 227 CZ ARG A 14 9.430 -18.044 9.540 1.00 33.21 C ATOM 228 NH1 ARG A 14 8.155 -17.842 9.415 1.00 13.32 N ATOM 229 NH2 ARG A 14 9.881 -18.578 10.624 1.00 64.51 N ATOM 0 H ARG A 14 14.194 -14.928 5.734 1.00 35.42 H new ATOM 0 HA ARG A 14 12.246 -17.167 5.661 1.00 13.52 H new ATOM 0 HB2 ARG A 14 12.300 -16.151 7.908 1.00 73.50 H new ATOM 0 HB3 ARG A 14 12.166 -14.544 7.222 1.00 73.50 H new ATOM 0 HG2 ARG A 14 10.000 -15.091 8.046 1.00 24.11 H new ATOM 0 HG3 ARG A 14 9.894 -15.210 6.301 1.00 24.11 H new ATOM 0 HD2 ARG A 14 8.758 -17.121 7.240 1.00 3.00 H new ATOM 0 HD3 ARG A 14 10.229 -17.694 6.480 1.00 3.00 H new ATOM 0 HE ARG A 14 11.247 -17.918 8.711 1.00 5.53 H new ATOM 0 HH11 ARG A 14 7.786 -17.430 8.558 1.00 13.32 H new ATOM 0 HH12 ARG A 14 7.522 -18.095 10.173 1.00 13.32 H new ATOM 0 HH21 ARG A 14 10.881 -18.751 10.730 1.00 64.51 H new ATOM 0 HH22 ARG A 14 9.238 -18.827 11.376 1.00 64.51 H new ATOM 243 N ALA A 15 10.917 -16.092 3.845 1.00 21.25 N ATOM 244 CA ALA A 15 10.170 -15.513 2.718 1.00 55.11 C ATOM 245 C ALA A 15 8.989 -14.648 3.209 1.00 63.12 C ATOM 246 O ALA A 15 8.365 -14.961 4.223 1.00 50.22 O ATOM 247 CB ALA A 15 9.674 -16.625 1.796 1.00 12.24 C ATOM 0 H ALA A 15 10.721 -17.079 4.012 1.00 21.25 H new ATOM 0 HA ALA A 15 10.844 -14.862 2.161 1.00 55.11 H new ATOM 0 HB1 ALA A 15 9.122 -16.188 0.964 1.00 12.24 H new ATOM 0 HB2 ALA A 15 10.526 -17.186 1.412 1.00 12.24 H new ATOM 0 HB3 ALA A 15 9.020 -17.295 2.354 1.00 12.24 H new ATOM 253 N PRO A 16 8.657 -13.555 2.487 1.00 20.40 N ATOM 254 CA PRO A 16 7.597 -12.618 2.906 1.00 21.43 C ATOM 255 C PRO A 16 6.182 -13.226 2.856 1.00 55.40 C ATOM 256 O PRO A 16 5.862 -14.042 1.985 1.00 25.33 O ATOM 257 CB PRO A 16 7.730 -11.459 1.908 1.00 70.44 C ATOM 258 CG PRO A 16 8.366 -12.064 0.703 1.00 74.10 C ATOM 259 CD PRO A 16 9.278 -13.150 1.212 1.00 33.11 C ATOM 0 HA PRO A 16 7.719 -12.322 3.948 1.00 21.43 H new ATOM 0 HB2 PRO A 16 6.757 -11.030 1.668 1.00 70.44 H new ATOM 0 HB3 PRO A 16 8.342 -10.654 2.316 1.00 70.44 H new ATOM 0 HG2 PRO A 16 7.613 -12.472 0.028 1.00 74.10 H new ATOM 0 HG3 PRO A 16 8.926 -11.316 0.141 1.00 74.10 H new ATOM 0 HD2 PRO A 16 9.338 -13.984 0.513 1.00 33.11 H new ATOM 0 HD3 PRO A 16 10.294 -12.784 1.359 1.00 33.11 H new ATOM 267 N MET A 17 5.339 -12.807 3.800 1.00 12.01 N ATOM 268 CA MET A 17 3.966 -13.318 3.916 1.00 31.43 C ATOM 269 C MET A 17 2.998 -12.235 4.429 1.00 54.40 C ATOM 270 O MET A 17 3.249 -11.610 5.461 1.00 20.05 O ATOM 271 CB MET A 17 3.949 -14.527 4.869 1.00 14.13 C ATOM 272 CG MET A 17 2.554 -15.004 5.258 1.00 13.43 C ATOM 273 SD MET A 17 1.523 -15.392 3.829 1.00 44.35 S ATOM 274 CE MET A 17 -0.025 -15.800 4.637 1.00 73.23 C ATOM 0 H MET A 17 5.583 -12.109 4.503 1.00 12.01 H new ATOM 0 HA MET A 17 3.631 -13.620 2.924 1.00 31.43 H new ATOM 0 HB2 MET A 17 4.484 -15.352 4.399 1.00 14.13 H new ATOM 0 HB3 MET A 17 4.497 -14.268 5.775 1.00 14.13 H new ATOM 0 HG2 MET A 17 2.640 -15.889 5.889 1.00 13.43 H new ATOM 0 HG3 MET A 17 2.065 -14.234 5.855 1.00 13.43 H new ATOM 0 HE1 MET A 17 -0.823 -15.838 3.896 1.00 73.23 H new ATOM 0 HE2 MET A 17 0.064 -16.771 5.124 1.00 73.23 H new ATOM 0 HE3 MET A 17 -0.258 -15.040 5.383 1.00 73.23 H new ATOM 284 N PHE A 18 1.898 -12.019 3.703 1.00 73.14 N ATOM 285 CA PHE A 18 0.844 -11.095 4.153 1.00 51.41 C ATOM 286 C PHE A 18 -0.069 -11.769 5.190 1.00 12.40 C ATOM 287 O PHE A 18 -0.904 -12.606 4.846 1.00 72.05 O ATOM 288 CB PHE A 18 -0.012 -10.609 2.969 1.00 24.50 C ATOM 289 CG PHE A 18 0.666 -9.604 2.068 1.00 21.30 C ATOM 290 CD1 PHE A 18 0.699 -8.259 2.412 1.00 44.24 C ATOM 291 CD2 PHE A 18 1.250 -9.997 0.873 1.00 22.32 C ATOM 292 CE1 PHE A 18 1.302 -7.332 1.583 1.00 11.41 C ATOM 293 CE2 PHE A 18 1.857 -9.072 0.043 1.00 31.32 C ATOM 294 CZ PHE A 18 1.882 -7.738 0.399 1.00 12.33 C ATOM 0 H PHE A 18 1.711 -12.467 2.806 1.00 73.14 H new ATOM 0 HA PHE A 18 1.339 -10.238 4.610 1.00 51.41 H new ATOM 0 HB2 PHE A 18 -0.304 -11.473 2.372 1.00 24.50 H new ATOM 0 HB3 PHE A 18 -0.928 -10.166 3.359 1.00 24.50 H new ATOM 0 HD1 PHE A 18 0.248 -7.934 3.338 1.00 44.24 H new ATOM 0 HD2 PHE A 18 1.231 -11.038 0.587 1.00 22.32 H new ATOM 0 HE1 PHE A 18 1.319 -6.289 1.862 1.00 11.41 H new ATOM 0 HE2 PHE A 18 2.311 -9.393 -0.883 1.00 31.32 H new ATOM 0 HZ PHE A 18 2.355 -7.014 -0.248 1.00 12.33 H new ATOM 304 N ILE A 19 0.092 -11.401 6.458 1.00 1.45 N ATOM 305 CA ILE A 19 -0.750 -11.938 7.535 1.00 14.30 C ATOM 306 C ILE A 19 -2.178 -11.370 7.453 1.00 33.32 C ATOM 307 O ILE A 19 -3.153 -12.043 7.792 1.00 3.33 O ATOM 308 CB ILE A 19 -0.143 -11.626 8.926 1.00 1.25 C ATOM 309 CG1 ILE A 19 1.322 -12.095 8.988 1.00 1.22 C ATOM 310 CG2 ILE A 19 -0.963 -12.289 10.032 1.00 20.34 C ATOM 311 CD1 ILE A 19 2.014 -11.779 10.301 1.00 5.25 C ATOM 0 H ILE A 19 0.797 -10.733 6.770 1.00 1.45 H new ATOM 0 HA ILE A 19 -0.793 -13.020 7.407 1.00 14.30 H new ATOM 0 HB ILE A 19 -0.170 -10.547 9.079 1.00 1.25 H new ATOM 0 HG12 ILE A 19 1.356 -13.172 8.821 1.00 1.22 H new ATOM 0 HG13 ILE A 19 1.877 -11.628 8.174 1.00 1.22 H new ATOM 0 HG21 ILE A 19 -0.521 -12.058 11.001 1.00 20.34 H new ATOM 0 HG22 ILE A 19 -1.986 -11.914 10.001 1.00 20.34 H new ATOM 0 HG23 ILE A 19 -0.968 -13.369 9.884 1.00 20.34 H new ATOM 0 HD11 ILE A 19 3.042 -12.141 10.267 1.00 5.25 H new ATOM 0 HD12 ILE A 19 2.014 -10.701 10.462 1.00 5.25 H new ATOM 0 HD13 ILE A 19 1.484 -12.268 11.118 1.00 5.25 H new ATOM 323 N TYR A 20 -2.293 -10.132 6.973 1.00 2.14 N ATOM 324 CA TYR A 20 -3.595 -9.474 6.789 1.00 2.44 C ATOM 325 C TYR A 20 -3.677 -8.825 5.402 1.00 54.03 C ATOM 326 O TYR A 20 -2.708 -8.225 4.934 1.00 22.44 O ATOM 327 CB TYR A 20 -3.825 -8.400 7.866 1.00 22.33 C ATOM 328 CG TYR A 20 -3.845 -8.937 9.287 1.00 44.45 C ATOM 329 CD1 TYR A 20 -5.027 -9.385 9.869 1.00 50.43 C ATOM 330 CD2 TYR A 20 -2.681 -8.995 10.043 1.00 35.33 C ATOM 331 CE1 TYR A 20 -5.044 -9.873 11.162 1.00 44.42 C ATOM 332 CE2 TYR A 20 -2.692 -9.481 11.333 1.00 61.11 C ATOM 333 CZ TYR A 20 -3.874 -9.919 11.888 1.00 34.45 C ATOM 334 OH TYR A 20 -3.882 -10.411 13.174 1.00 51.12 O ATOM 0 H TYR A 20 -1.495 -9.557 6.701 1.00 2.14 H new ATOM 0 HA TYR A 20 -4.368 -10.237 6.879 1.00 2.44 H new ATOM 0 HB2 TYR A 20 -3.041 -7.647 7.785 1.00 22.33 H new ATOM 0 HB3 TYR A 20 -4.772 -7.898 7.666 1.00 22.33 H new ATOM 0 HD1 TYR A 20 -5.945 -9.351 9.302 1.00 50.43 H new ATOM 0 HD2 TYR A 20 -1.751 -8.653 9.613 1.00 35.33 H new ATOM 0 HE1 TYR A 20 -5.969 -10.216 11.601 1.00 44.42 H new ATOM 0 HE2 TYR A 20 -1.777 -9.518 11.906 1.00 61.11 H new ATOM 0 HH TYR A 20 -2.975 -10.374 13.544 1.00 51.12 H new ATOM 344 N LYS A 21 -4.829 -8.951 4.747 1.00 44.03 N ATOM 345 CA LYS A 21 -5.027 -8.362 3.416 1.00 55.22 C ATOM 346 C LYS A 21 -5.772 -7.013 3.499 1.00 31.31 C ATOM 347 O LYS A 21 -6.788 -6.893 4.194 1.00 45.04 O ATOM 348 CB LYS A 21 -5.793 -9.340 2.509 1.00 10.12 C ATOM 349 CG LYS A 21 -7.181 -9.716 3.022 1.00 34.24 C ATOM 350 CD LYS A 21 -7.928 -10.601 2.027 1.00 65.03 C ATOM 351 CE LYS A 21 -9.350 -10.900 2.488 1.00 62.31 C ATOM 352 NZ LYS A 21 -10.141 -9.657 2.692 1.00 63.21 N ATOM 0 H LYS A 21 -5.639 -9.453 5.111 1.00 44.03 H new ATOM 0 HA LYS A 21 -4.044 -8.173 2.986 1.00 55.22 H new ATOM 0 HB2 LYS A 21 -5.892 -8.897 1.518 1.00 10.12 H new ATOM 0 HB3 LYS A 21 -5.202 -10.249 2.394 1.00 10.12 H new ATOM 0 HG2 LYS A 21 -7.088 -10.237 3.975 1.00 34.24 H new ATOM 0 HG3 LYS A 21 -7.758 -8.810 3.209 1.00 34.24 H new ATOM 0 HD2 LYS A 21 -7.957 -10.109 1.055 1.00 65.03 H new ATOM 0 HD3 LYS A 21 -7.385 -11.537 1.895 1.00 65.03 H new ATOM 0 HE2 LYS A 21 -9.846 -11.529 1.749 1.00 62.31 H new ATOM 0 HE3 LYS A 21 -9.318 -11.467 3.419 1.00 62.31 H new ATOM 0 HZ1 LYS A 21 -11.153 -9.893 2.737 1.00 63.21 H new ATOM 0 HZ2 LYS A 21 -9.851 -9.203 3.582 1.00 63.21 H new ATOM 0 HZ3 LYS A 21 -9.973 -9.005 1.900 1.00 63.21 H new ATOM 366 N PRO A 22 -5.269 -5.971 2.795 1.00 62.14 N ATOM 367 CA PRO A 22 -5.910 -4.642 2.779 1.00 14.32 C ATOM 368 C PRO A 22 -7.274 -4.652 2.062 1.00 15.04 C ATOM 369 O PRO A 22 -7.378 -5.025 0.889 1.00 44.53 O ATOM 370 CB PRO A 22 -4.897 -3.764 2.024 1.00 52.32 C ATOM 371 CG PRO A 22 -4.110 -4.719 1.190 1.00 0.23 C ATOM 372 CD PRO A 22 -4.037 -5.999 1.979 1.00 65.20 C ATOM 0 HA PRO A 22 -6.131 -4.284 3.785 1.00 14.32 H new ATOM 0 HB2 PRO A 22 -5.401 -3.022 1.405 1.00 52.32 H new ATOM 0 HB3 PRO A 22 -4.254 -3.219 2.715 1.00 52.32 H new ATOM 0 HG2 PRO A 22 -4.591 -4.882 0.226 1.00 0.23 H new ATOM 0 HG3 PRO A 22 -3.113 -4.329 0.987 1.00 0.23 H new ATOM 0 HD2 PRO A 22 -4.007 -6.872 1.327 1.00 65.20 H new ATOM 0 HD3 PRO A 22 -3.143 -6.036 2.602 1.00 65.20 H new ATOM 380 N GLN A 23 -8.317 -4.231 2.772 1.00 52.53 N ATOM 381 CA GLN A 23 -9.679 -4.244 2.231 1.00 44.00 C ATOM 382 C GLN A 23 -10.117 -2.852 1.754 1.00 45.20 C ATOM 383 O GLN A 23 -9.764 -1.832 2.358 1.00 22.13 O ATOM 384 CB GLN A 23 -10.652 -4.803 3.274 1.00 50.54 C ATOM 385 CG GLN A 23 -10.599 -4.097 4.621 1.00 4.32 C ATOM 386 CD GLN A 23 -11.322 -4.878 5.700 1.00 2.45 C ATOM 387 OE1 GLN A 23 -10.725 -5.701 6.388 1.00 72.32 O ATOM 388 NE2 GLN A 23 -12.608 -4.648 5.847 1.00 40.31 N ATOM 0 H GLN A 23 -8.248 -3.875 3.725 1.00 52.53 H new ATOM 0 HA GLN A 23 -9.690 -4.895 1.357 1.00 44.00 H new ATOM 0 HB2 GLN A 23 -11.666 -4.735 2.881 1.00 50.54 H new ATOM 0 HB3 GLN A 23 -10.438 -5.861 3.423 1.00 50.54 H new ATOM 0 HG2 GLN A 23 -9.559 -3.952 4.914 1.00 4.32 H new ATOM 0 HG3 GLN A 23 -11.045 -3.107 4.529 1.00 4.32 H new ATOM 0 HE21 GLN A 23 -13.073 -3.957 5.258 1.00 40.31 H new ATOM 0 HE22 GLN A 23 -13.141 -5.161 6.550 1.00 40.31 H new ATOM 397 N SER A 24 -10.904 -2.836 0.678 1.00 72.31 N ATOM 398 CA SER A 24 -11.242 -1.603 -0.055 1.00 21.33 C ATOM 399 C SER A 24 -11.843 -0.504 0.833 1.00 34.23 C ATOM 400 O SER A 24 -12.382 -0.768 1.912 1.00 65.04 O ATOM 401 CB SER A 24 -12.221 -1.914 -1.193 1.00 63.11 C ATOM 402 OG SER A 24 -13.486 -2.323 -0.691 1.00 63.22 O ATOM 0 H SER A 24 -11.329 -3.676 0.285 1.00 72.31 H new ATOM 0 HA SER A 24 -10.299 -1.222 -0.448 1.00 21.33 H new ATOM 0 HB2 SER A 24 -12.345 -1.031 -1.820 1.00 63.11 H new ATOM 0 HB3 SER A 24 -11.808 -2.699 -1.826 1.00 63.11 H new ATOM 0 HG SER A 24 -14.089 -2.513 -1.440 1.00 63.22 H new ATOM 408 N LYS A 25 -11.739 0.740 0.360 1.00 72.43 N ATOM 409 CA LYS A 25 -12.299 1.907 1.058 1.00 23.42 C ATOM 410 C LYS A 25 -12.801 2.963 0.062 1.00 23.15 C ATOM 411 O LYS A 25 -12.224 3.142 -1.009 1.00 0.12 O ATOM 412 CB LYS A 25 -11.246 2.546 1.982 1.00 43.14 C ATOM 413 CG LYS A 25 -10.878 1.696 3.193 1.00 73.10 C ATOM 414 CD LYS A 25 -12.074 1.493 4.119 1.00 52.03 C ATOM 415 CE LYS A 25 -11.769 0.484 5.212 1.00 51.10 C ATOM 416 NZ LYS A 25 -11.413 -0.846 4.649 1.00 3.44 N ATOM 0 H LYS A 25 -11.267 0.970 -0.514 1.00 72.43 H new ATOM 0 HA LYS A 25 -13.141 1.555 1.654 1.00 23.42 H new ATOM 0 HB2 LYS A 25 -10.344 2.744 1.403 1.00 43.14 H new ATOM 0 HB3 LYS A 25 -11.620 3.509 2.329 1.00 43.14 H new ATOM 0 HG2 LYS A 25 -10.507 0.727 2.859 1.00 73.10 H new ATOM 0 HG3 LYS A 25 -10.068 2.176 3.743 1.00 73.10 H new ATOM 0 HD2 LYS A 25 -12.352 2.446 4.570 1.00 52.03 H new ATOM 0 HD3 LYS A 25 -12.931 1.153 3.538 1.00 52.03 H new ATOM 0 HE2 LYS A 25 -10.947 0.851 5.827 1.00 51.10 H new ATOM 0 HE3 LYS A 25 -12.635 0.382 5.866 1.00 51.10 H new ATOM 0 HZ1 LYS A 25 -11.953 -1.587 5.141 1.00 3.44 H new ATOM 0 HZ2 LYS A 25 -11.642 -0.866 3.635 1.00 3.44 H new ATOM 0 HZ3 LYS A 25 -10.395 -1.016 4.777 1.00 3.44 H new ATOM 430 N LYS A 26 -13.881 3.652 0.419 1.00 3.41 N ATOM 431 CA LYS A 26 -14.381 4.784 -0.368 1.00 21.44 C ATOM 432 C LYS A 26 -14.386 6.071 0.471 1.00 0.03 C ATOM 433 O LYS A 26 -14.818 6.072 1.629 1.00 52.12 O ATOM 434 CB LYS A 26 -15.788 4.488 -0.909 1.00 62.31 C ATOM 435 CG LYS A 26 -16.834 4.199 0.168 1.00 50.53 C ATOM 436 CD LYS A 26 -18.213 3.926 -0.435 1.00 33.53 C ATOM 437 CE LYS A 26 -18.209 2.694 -1.336 1.00 32.12 C ATOM 438 NZ LYS A 26 -19.544 2.445 -1.941 1.00 32.04 N ATOM 0 H LYS A 26 -14.432 3.447 1.253 1.00 3.41 H new ATOM 0 HA LYS A 26 -13.711 4.931 -1.215 1.00 21.44 H new ATOM 0 HB2 LYS A 26 -16.122 5.339 -1.502 1.00 62.31 H new ATOM 0 HB3 LYS A 26 -15.732 3.632 -1.582 1.00 62.31 H new ATOM 0 HG2 LYS A 26 -16.519 3.339 0.758 1.00 50.53 H new ATOM 0 HG3 LYS A 26 -16.897 5.047 0.850 1.00 50.53 H new ATOM 0 HD2 LYS A 26 -18.938 3.787 0.367 1.00 33.53 H new ATOM 0 HD3 LYS A 26 -18.536 4.794 -1.009 1.00 33.53 H new ATOM 0 HE2 LYS A 26 -17.471 2.825 -2.127 1.00 32.12 H new ATOM 0 HE3 LYS A 26 -17.904 1.822 -0.757 1.00 32.12 H new ATOM 0 HZ1 LYS A 26 -19.499 1.600 -2.546 1.00 32.04 H new ATOM 0 HZ2 LYS A 26 -20.244 2.294 -1.187 1.00 32.04 H new ATOM 0 HZ3 LYS A 26 -19.824 3.266 -2.514 1.00 32.04 H new ATOM 452 N VAL A 27 -13.887 7.158 -0.112 1.00 63.55 N ATOM 453 CA VAL A 27 -13.792 8.451 0.582 1.00 41.10 C ATOM 454 C VAL A 27 -14.271 9.612 -0.309 1.00 72.45 C ATOM 455 O VAL A 27 -14.639 9.413 -1.467 1.00 55.14 O ATOM 456 CB VAL A 27 -12.337 8.733 1.049 1.00 40.22 C ATOM 457 CG1 VAL A 27 -11.896 7.731 2.119 1.00 3.54 C ATOM 458 CG2 VAL A 27 -11.379 8.713 -0.141 1.00 75.54 C ATOM 0 H VAL A 27 -13.538 7.174 -1.070 1.00 63.55 H new ATOM 0 HA VAL A 27 -14.443 8.386 1.453 1.00 41.10 H new ATOM 0 HB VAL A 27 -12.312 9.727 1.495 1.00 40.22 H new ATOM 0 HG11 VAL A 27 -10.874 7.953 2.426 1.00 3.54 H new ATOM 0 HG12 VAL A 27 -12.558 7.805 2.981 1.00 3.54 H new ATOM 0 HG13 VAL A 27 -11.941 6.721 1.712 1.00 3.54 H new ATOM 0 HG21 VAL A 27 -10.365 8.912 0.205 1.00 75.54 H new ATOM 0 HG22 VAL A 27 -11.413 7.734 -0.619 1.00 75.54 H new ATOM 0 HG23 VAL A 27 -11.674 9.478 -0.859 1.00 75.54 H new ATOM 468 N LEU A 28 -14.275 10.822 0.247 1.00 74.54 N ATOM 469 CA LEU A 28 -14.694 12.018 -0.490 1.00 22.24 C ATOM 470 C LEU A 28 -13.484 12.836 -0.983 1.00 2.42 C ATOM 471 O LEU A 28 -12.377 12.720 -0.450 1.00 52.24 O ATOM 472 CB LEU A 28 -15.595 12.888 0.399 1.00 12.12 C ATOM 473 CG LEU A 28 -16.918 12.239 0.845 1.00 61.35 C ATOM 474 CD1 LEU A 28 -17.648 13.127 1.853 1.00 0.35 C ATOM 475 CD2 LEU A 28 -17.813 11.953 -0.359 1.00 22.14 C ATOM 0 H LEU A 28 -13.992 11.003 1.210 1.00 74.54 H new ATOM 0 HA LEU A 28 -15.252 11.694 -1.368 1.00 22.24 H new ATOM 0 HB2 LEU A 28 -15.032 13.171 1.289 1.00 12.12 H new ATOM 0 HB3 LEU A 28 -15.826 13.808 -0.138 1.00 12.12 H new ATOM 0 HG LEU A 28 -16.681 11.293 1.331 1.00 61.35 H new ATOM 0 HD11 LEU A 28 -18.580 12.647 2.153 1.00 0.35 H new ATOM 0 HD12 LEU A 28 -17.018 13.276 2.730 1.00 0.35 H new ATOM 0 HD13 LEU A 28 -17.868 14.092 1.396 1.00 0.35 H new ATOM 0 HD21 LEU A 28 -18.742 11.495 -0.021 1.00 22.14 H new ATOM 0 HD22 LEU A 28 -18.036 12.886 -0.876 1.00 22.14 H new ATOM 0 HD23 LEU A 28 -17.300 11.274 -1.040 1.00 22.14 H new ATOM 487 N GLU A 29 -13.708 13.665 -2.007 1.00 71.53 N ATOM 488 CA GLU A 29 -12.634 14.481 -2.597 1.00 44.54 C ATOM 489 C GLU A 29 -12.068 15.491 -1.590 1.00 31.32 C ATOM 490 O GLU A 29 -12.727 16.474 -1.239 1.00 70.31 O ATOM 491 CB GLU A 29 -13.123 15.231 -3.845 1.00 71.13 C ATOM 492 CG GLU A 29 -13.570 14.324 -4.984 1.00 55.43 C ATOM 493 CD GLU A 29 -13.731 15.072 -6.297 1.00 61.25 C ATOM 494 OE1 GLU A 29 -14.741 15.783 -6.470 1.00 41.44 O ATOM 495 OE2 GLU A 29 -12.843 14.952 -7.161 1.00 54.33 O ATOM 0 H GLU A 29 -14.620 13.791 -2.446 1.00 71.53 H new ATOM 0 HA GLU A 29 -11.841 13.790 -2.882 1.00 44.54 H new ATOM 0 HB2 GLU A 29 -13.954 15.878 -3.564 1.00 71.13 H new ATOM 0 HB3 GLU A 29 -12.322 15.878 -4.203 1.00 71.13 H new ATOM 0 HG2 GLU A 29 -12.842 13.523 -5.113 1.00 55.43 H new ATOM 0 HG3 GLU A 29 -14.517 13.854 -4.719 1.00 55.43 H new ATOM 502 N GLY A 30 -10.840 15.248 -1.139 1.00 13.52 N ATOM 503 CA GLY A 30 -10.201 16.129 -0.165 1.00 24.03 C ATOM 504 C GLY A 30 -9.979 15.464 1.190 1.00 74.34 C ATOM 505 O GLY A 30 -9.439 16.080 2.116 1.00 54.32 O ATOM 0 H GLY A 30 -10.270 14.454 -1.430 1.00 13.52 H new ATOM 0 HA2 GLY A 30 -9.242 16.463 -0.561 1.00 24.03 H new ATOM 0 HA3 GLY A 30 -10.817 17.018 -0.030 1.00 24.03 H new ATOM 509 N ASP A 31 -10.399 14.207 1.317 1.00 30.22 N ATOM 510 CA ASP A 31 -10.208 13.443 2.554 1.00 70.22 C ATOM 511 C ASP A 31 -9.052 12.439 2.432 1.00 60.23 C ATOM 512 O ASP A 31 -8.366 12.381 1.407 1.00 45.12 O ATOM 513 CB ASP A 31 -11.509 12.735 2.941 1.00 71.25 C ATOM 514 CG ASP A 31 -12.575 13.729 3.362 1.00 60.00 C ATOM 515 OD1 ASP A 31 -12.496 14.241 4.502 1.00 70.21 O ATOM 516 OD2 ASP A 31 -13.478 14.025 2.558 1.00 41.30 O ATOM 0 H ASP A 31 -10.876 13.692 0.577 1.00 30.22 H new ATOM 0 HA ASP A 31 -9.940 14.145 3.344 1.00 70.22 H new ATOM 0 HB2 ASP A 31 -11.870 12.147 2.097 1.00 71.25 H new ATOM 0 HB3 ASP A 31 -11.317 12.038 3.756 1.00 71.25 H new ATOM 521 N SER A 32 -8.829 11.663 3.491 1.00 62.21 N ATOM 522 CA SER A 32 -7.705 10.719 3.539 1.00 53.23 C ATOM 523 C SER A 32 -8.166 9.272 3.767 1.00 43.21 C ATOM 524 O SER A 32 -9.272 9.016 4.252 1.00 64.21 O ATOM 525 CB SER A 32 -6.726 11.116 4.653 1.00 50.15 C ATOM 526 OG SER A 32 -7.331 11.018 5.938 1.00 25.54 O ATOM 0 H SER A 32 -9.410 11.667 4.329 1.00 62.21 H new ATOM 0 HA SER A 32 -7.211 10.766 2.568 1.00 53.23 H new ATOM 0 HB2 SER A 32 -5.847 10.472 4.613 1.00 50.15 H new ATOM 0 HB3 SER A 32 -6.381 12.137 4.489 1.00 50.15 H new ATOM 0 HG SER A 32 -6.682 11.276 6.626 1.00 25.54 H new ATOM 532 N VAL A 33 -7.291 8.330 3.428 1.00 70.31 N ATOM 533 CA VAL A 33 -7.540 6.902 3.645 1.00 72.02 C ATOM 534 C VAL A 33 -6.240 6.187 4.053 1.00 4.23 C ATOM 535 O VAL A 33 -5.144 6.639 3.707 1.00 50.13 O ATOM 536 CB VAL A 33 -8.115 6.230 2.371 1.00 4.22 C ATOM 537 CG1 VAL A 33 -7.086 6.237 1.244 1.00 25.53 C ATOM 538 CG2 VAL A 33 -8.592 4.809 2.668 1.00 62.23 C ATOM 0 H VAL A 33 -6.389 8.531 2.995 1.00 70.31 H new ATOM 0 HA VAL A 33 -8.273 6.815 4.447 1.00 72.02 H new ATOM 0 HB VAL A 33 -8.978 6.810 2.044 1.00 4.22 H new ATOM 0 HG11 VAL A 33 -7.511 5.761 0.360 1.00 25.53 H new ATOM 0 HG12 VAL A 33 -6.814 7.265 1.006 1.00 25.53 H new ATOM 0 HG13 VAL A 33 -6.197 5.690 1.559 1.00 25.53 H new ATOM 0 HG21 VAL A 33 -8.990 4.361 1.758 1.00 62.23 H new ATOM 0 HG22 VAL A 33 -7.755 4.212 3.030 1.00 62.23 H new ATOM 0 HG23 VAL A 33 -9.372 4.839 3.429 1.00 62.23 H new ATOM 548 N LYS A 34 -6.359 5.082 4.789 1.00 24.21 N ATOM 549 CA LYS A 34 -5.188 4.296 5.189 1.00 54.44 C ATOM 550 C LYS A 34 -5.277 2.853 4.662 1.00 44.50 C ATOM 551 O LYS A 34 -6.324 2.208 4.743 1.00 45.50 O ATOM 552 CB LYS A 34 -5.032 4.282 6.721 1.00 34.50 C ATOM 553 CG LYS A 34 -6.115 3.495 7.464 1.00 24.11 C ATOM 554 CD LYS A 34 -5.712 3.219 8.914 1.00 61.24 C ATOM 555 CE LYS A 34 -6.641 2.208 9.582 1.00 70.34 C ATOM 556 NZ LYS A 34 -6.139 1.794 10.920 1.00 50.24 N ATOM 0 H LYS A 34 -7.250 4.711 5.120 1.00 24.21 H new ATOM 0 HA LYS A 34 -4.312 4.772 4.749 1.00 54.44 H new ATOM 0 HB2 LYS A 34 -4.059 3.860 6.970 1.00 34.50 H new ATOM 0 HB3 LYS A 34 -5.035 5.310 7.083 1.00 34.50 H new ATOM 0 HG2 LYS A 34 -7.050 4.054 7.445 1.00 24.11 H new ATOM 0 HG3 LYS A 34 -6.298 2.551 6.950 1.00 24.11 H new ATOM 0 HD2 LYS A 34 -4.689 2.844 8.941 1.00 61.24 H new ATOM 0 HD3 LYS A 34 -5.725 4.152 9.478 1.00 61.24 H new ATOM 0 HE2 LYS A 34 -7.636 2.642 9.686 1.00 70.34 H new ATOM 0 HE3 LYS A 34 -6.741 1.330 8.944 1.00 70.34 H new ATOM 0 HZ1 LYS A 34 -6.806 1.120 11.348 1.00 50.24 H new ATOM 0 HZ2 LYS A 34 -5.208 1.342 10.817 1.00 50.24 H new ATOM 0 HZ3 LYS A 34 -6.051 2.630 11.532 1.00 50.24 H new ATOM 570 N LEU A 35 -4.175 2.360 4.106 1.00 52.43 N ATOM 571 CA LEU A 35 -4.073 0.965 3.666 1.00 62.33 C ATOM 572 C LEU A 35 -2.891 0.282 4.368 1.00 63.41 C ATOM 573 O LEU A 35 -1.737 0.621 4.113 1.00 63.40 O ATOM 574 CB LEU A 35 -3.886 0.909 2.141 1.00 3.21 C ATOM 575 CG LEU A 35 -5.006 1.566 1.314 1.00 44.14 C ATOM 576 CD1 LEU A 35 -4.674 1.523 -0.176 1.00 5.10 C ATOM 577 CD2 LEU A 35 -6.349 0.890 1.587 1.00 72.10 C ATOM 0 H LEU A 35 -3.330 2.909 3.947 1.00 52.43 H new ATOM 0 HA LEU A 35 -4.992 0.440 3.928 1.00 62.33 H new ATOM 0 HB2 LEU A 35 -2.941 1.391 1.890 1.00 3.21 H new ATOM 0 HB3 LEU A 35 -3.800 -0.135 1.841 1.00 3.21 H new ATOM 0 HG LEU A 35 -5.083 2.610 1.616 1.00 44.14 H new ATOM 0 HD11 LEU A 35 -5.479 1.993 -0.742 1.00 5.10 H new ATOM 0 HD12 LEU A 35 -3.742 2.059 -0.357 1.00 5.10 H new ATOM 0 HD13 LEU A 35 -4.564 0.486 -0.494 1.00 5.10 H new ATOM 0 HD21 LEU A 35 -7.126 1.370 0.992 1.00 72.10 H new ATOM 0 HD22 LEU A 35 -6.287 -0.165 1.319 1.00 72.10 H new ATOM 0 HD23 LEU A 35 -6.594 0.981 2.645 1.00 72.10 H new ATOM 589 N GLU A 36 -3.169 -0.679 5.245 1.00 72.12 N ATOM 590 CA GLU A 36 -2.109 -1.308 6.043 1.00 30.01 C ATOM 591 C GLU A 36 -2.212 -2.839 6.062 1.00 12.33 C ATOM 592 O GLU A 36 -3.291 -3.414 5.903 1.00 35.11 O ATOM 593 CB GLU A 36 -2.117 -0.754 7.478 1.00 34.42 C ATOM 594 CG GLU A 36 -3.441 -0.933 8.214 1.00 34.10 C ATOM 595 CD GLU A 36 -3.402 -0.373 9.628 1.00 43.54 C ATOM 596 OE1 GLU A 36 -2.996 -1.102 10.555 1.00 74.23 O ATOM 597 OE2 GLU A 36 -3.760 0.805 9.825 1.00 1.21 O ATOM 0 H GLU A 36 -4.106 -1.039 5.423 1.00 72.12 H new ATOM 0 HA GLU A 36 -1.162 -1.059 5.564 1.00 30.01 H new ATOM 0 HB2 GLU A 36 -1.329 -1.245 8.049 1.00 34.42 H new ATOM 0 HB3 GLU A 36 -1.873 0.308 7.446 1.00 34.42 H new ATOM 0 HG2 GLU A 36 -4.234 -0.439 7.653 1.00 34.10 H new ATOM 0 HG3 GLU A 36 -3.691 -1.993 8.253 1.00 34.10 H new ATOM 604 N CYS A 37 -1.061 -3.486 6.246 1.00 23.31 N ATOM 605 CA CYS A 37 -0.971 -4.950 6.309 1.00 41.50 C ATOM 606 C CYS A 37 0.257 -5.384 7.124 1.00 44.55 C ATOM 607 O CYS A 37 1.170 -4.591 7.353 1.00 24.14 O ATOM 608 CB CYS A 37 -0.885 -5.537 4.893 1.00 75.34 C ATOM 609 SG CYS A 37 0.522 -4.931 3.931 1.00 51.44 S ATOM 0 H CYS A 37 -0.164 -3.013 6.356 1.00 23.31 H new ATOM 0 HA CYS A 37 -1.868 -5.326 6.800 1.00 41.50 H new ATOM 0 HB2 CYS A 37 -0.823 -6.623 4.964 1.00 75.34 H new ATOM 0 HB3 CYS A 37 -1.806 -5.304 4.358 1.00 75.34 H new ATOM 0 HG CYS A 37 1.083 -5.925 3.309 1.00 51.44 H new ATOM 615 N GLN A 38 0.276 -6.644 7.559 1.00 65.01 N ATOM 616 CA GLN A 38 1.412 -7.190 8.321 1.00 5.31 C ATOM 617 C GLN A 38 2.215 -8.187 7.474 1.00 14.23 C ATOM 618 O GLN A 38 1.673 -9.190 7.009 1.00 15.21 O ATOM 619 CB GLN A 38 0.914 -7.890 9.599 1.00 24.14 C ATOM 620 CG GLN A 38 0.189 -6.971 10.580 1.00 31.43 C ATOM 621 CD GLN A 38 1.084 -5.905 11.195 1.00 64.11 C ATOM 622 OE1 GLN A 38 0.633 -4.807 11.500 1.00 23.04 O ATOM 623 NE2 GLN A 38 2.348 -6.219 11.413 1.00 51.33 N ATOM 0 H GLN A 38 -0.480 -7.310 7.399 1.00 65.01 H new ATOM 0 HA GLN A 38 2.061 -6.357 8.593 1.00 5.31 H new ATOM 0 HB2 GLN A 38 0.243 -8.701 9.316 1.00 24.14 H new ATOM 0 HB3 GLN A 38 1.766 -8.343 10.106 1.00 24.14 H new ATOM 0 HG2 GLN A 38 -0.639 -6.484 10.064 1.00 31.43 H new ATOM 0 HG3 GLN A 38 -0.243 -7.575 11.378 1.00 31.43 H new ATOM 0 HE21 GLN A 38 2.697 -7.140 11.149 1.00 51.33 H new ATOM 0 HE22 GLN A 38 2.975 -5.540 11.845 1.00 51.33 H new ATOM 632 N ILE A 39 3.503 -7.911 7.280 1.00 55.41 N ATOM 633 CA ILE A 39 4.386 -8.796 6.506 1.00 24.33 C ATOM 634 C ILE A 39 5.524 -9.359 7.376 1.00 14.52 C ATOM 635 O ILE A 39 6.267 -8.605 8.007 1.00 71.15 O ATOM 636 CB ILE A 39 5.005 -8.056 5.289 1.00 41.43 C ATOM 637 CG1 ILE A 39 3.897 -7.485 4.389 1.00 60.20 C ATOM 638 CG2 ILE A 39 5.919 -8.992 4.493 1.00 72.32 C ATOM 639 CD1 ILE A 39 4.415 -6.721 3.189 1.00 34.41 C ATOM 0 H ILE A 39 3.965 -7.079 7.648 1.00 55.41 H new ATOM 0 HA ILE A 39 3.766 -9.619 6.150 1.00 24.33 H new ATOM 0 HB ILE A 39 5.609 -7.228 5.661 1.00 41.43 H new ATOM 0 HG12 ILE A 39 3.266 -8.304 4.042 1.00 60.20 H new ATOM 0 HG13 ILE A 39 3.264 -6.825 4.982 1.00 60.20 H new ATOM 0 HG21 ILE A 39 6.342 -8.453 3.645 1.00 72.32 H new ATOM 0 HG22 ILE A 39 6.725 -9.347 5.136 1.00 72.32 H new ATOM 0 HG23 ILE A 39 5.342 -9.843 4.131 1.00 72.32 H new ATOM 0 HD11 ILE A 39 3.574 -6.350 2.603 1.00 34.41 H new ATOM 0 HD12 ILE A 39 5.021 -5.880 3.527 1.00 34.41 H new ATOM 0 HD13 ILE A 39 5.023 -7.382 2.572 1.00 34.41 H new ATOM 651 N SER A 40 5.659 -10.686 7.405 1.00 14.21 N ATOM 652 CA SER A 40 6.750 -11.342 8.151 1.00 43.24 C ATOM 653 C SER A 40 7.839 -11.861 7.197 1.00 24.40 C ATOM 654 O SER A 40 7.664 -12.882 6.533 1.00 55.14 O ATOM 655 CB SER A 40 6.194 -12.507 8.987 1.00 21.12 C ATOM 656 OG SER A 40 7.220 -13.161 9.723 1.00 61.12 O ATOM 0 H SER A 40 5.032 -11.331 6.924 1.00 14.21 H new ATOM 0 HA SER A 40 7.197 -10.601 8.814 1.00 43.24 H new ATOM 0 HB2 SER A 40 5.435 -12.133 9.674 1.00 21.12 H new ATOM 0 HB3 SER A 40 5.703 -13.225 8.330 1.00 21.12 H new ATOM 0 HG SER A 40 6.832 -13.895 10.244 1.00 61.12 H new ATOM 662 N ALA A 41 8.946 -11.125 7.101 1.00 72.32 N ATOM 663 CA ALA A 41 10.078 -11.518 6.248 1.00 62.34 C ATOM 664 C ALA A 41 11.429 -11.368 6.965 1.00 2.12 C ATOM 665 O ALA A 41 11.567 -10.567 7.892 1.00 41.45 O ATOM 666 CB ALA A 41 10.074 -10.699 4.968 1.00 25.13 C ATOM 0 H ALA A 41 9.087 -10.249 7.604 1.00 72.32 H new ATOM 0 HA ALA A 41 9.953 -12.574 6.009 1.00 62.34 H new ATOM 0 HB1 ALA A 41 10.916 -10.997 4.343 1.00 25.13 H new ATOM 0 HB2 ALA A 41 9.143 -10.871 4.429 1.00 25.13 H new ATOM 0 HB3 ALA A 41 10.161 -9.640 5.213 1.00 25.13 H new ATOM 672 N ILE A 42 12.429 -12.131 6.516 1.00 23.25 N ATOM 673 CA ILE A 42 13.808 -12.000 7.016 1.00 4.12 C ATOM 674 C ILE A 42 14.818 -12.215 5.870 1.00 65.30 C ATOM 675 O ILE A 42 14.977 -13.336 5.385 1.00 3.45 O ATOM 676 CB ILE A 42 14.123 -13.016 8.156 1.00 3.45 C ATOM 677 CG1 ILE A 42 13.147 -12.843 9.336 1.00 21.44 C ATOM 678 CG2 ILE A 42 15.570 -12.858 8.633 1.00 3.03 C ATOM 679 CD1 ILE A 42 13.394 -13.798 10.486 1.00 3.14 C ATOM 0 H ILE A 42 12.312 -12.851 5.803 1.00 23.25 H new ATOM 0 HA ILE A 42 13.899 -10.991 7.419 1.00 4.12 H new ATOM 0 HB ILE A 42 13.996 -14.022 7.755 1.00 3.45 H new ATOM 0 HG12 ILE A 42 13.218 -11.820 9.705 1.00 21.44 H new ATOM 0 HG13 ILE A 42 12.128 -12.982 8.975 1.00 21.44 H new ATOM 0 HG21 ILE A 42 15.771 -13.575 9.429 1.00 3.03 H new ATOM 0 HG22 ILE A 42 16.249 -13.040 7.800 1.00 3.03 H new ATOM 0 HG23 ILE A 42 15.720 -11.846 9.010 1.00 3.03 H new ATOM 0 HD11 ILE A 42 12.666 -13.612 11.276 1.00 3.14 H new ATOM 0 HD12 ILE A 42 13.294 -14.825 10.134 1.00 3.14 H new ATOM 0 HD13 ILE A 42 14.400 -13.645 10.876 1.00 3.14 H new ATOM 691 N PRO A 43 15.509 -11.155 5.392 1.00 62.51 N ATOM 692 CA PRO A 43 15.355 -9.767 5.884 1.00 35.43 C ATOM 693 C PRO A 43 14.105 -9.055 5.316 1.00 60.11 C ATOM 694 O PRO A 43 13.385 -9.622 4.489 1.00 34.24 O ATOM 695 CB PRO A 43 16.642 -9.104 5.371 1.00 45.13 C ATOM 696 CG PRO A 43 16.945 -9.817 4.098 1.00 43.21 C ATOM 697 CD PRO A 43 16.526 -11.248 4.320 1.00 31.44 C ATOM 0 HA PRO A 43 15.215 -9.720 6.964 1.00 35.43 H new ATOM 0 HB2 PRO A 43 16.500 -8.036 5.204 1.00 45.13 H new ATOM 0 HB3 PRO A 43 17.456 -9.209 6.088 1.00 45.13 H new ATOM 0 HG2 PRO A 43 16.401 -9.375 3.263 1.00 43.21 H new ATOM 0 HG3 PRO A 43 18.006 -9.753 3.857 1.00 43.21 H new ATOM 0 HD2 PRO A 43 16.112 -11.689 3.413 1.00 31.44 H new ATOM 0 HD3 PRO A 43 17.369 -11.870 4.621 1.00 31.44 H new ATOM 705 N PRO A 44 13.810 -7.810 5.768 1.00 62.55 N ATOM 706 CA PRO A 44 12.684 -7.021 5.229 1.00 15.13 C ATOM 707 C PRO A 44 12.771 -6.838 3.697 1.00 3.11 C ATOM 708 O PRO A 44 13.824 -6.480 3.160 1.00 63.11 O ATOM 709 CB PRO A 44 12.800 -5.664 5.955 1.00 21.22 C ATOM 710 CG PRO A 44 14.176 -5.648 6.538 1.00 44.32 C ATOM 711 CD PRO A 44 14.514 -7.081 6.838 1.00 42.02 C ATOM 0 HA PRO A 44 11.728 -7.517 5.396 1.00 15.13 H new ATOM 0 HB2 PRO A 44 12.656 -4.834 5.264 1.00 21.22 H new ATOM 0 HB3 PRO A 44 12.042 -5.567 6.732 1.00 21.22 H new ATOM 0 HG2 PRO A 44 14.892 -5.216 5.838 1.00 44.32 H new ATOM 0 HG3 PRO A 44 14.210 -5.041 7.443 1.00 44.32 H new ATOM 0 HD2 PRO A 44 15.589 -7.258 6.809 1.00 42.02 H new ATOM 0 HD3 PRO A 44 14.168 -7.380 7.827 1.00 42.02 H new ATOM 719 N PRO A 45 11.656 -7.065 2.975 1.00 71.13 N ATOM 720 CA PRO A 45 11.641 -7.053 1.507 1.00 50.44 C ATOM 721 C PRO A 45 11.437 -5.652 0.906 1.00 2.54 C ATOM 722 O PRO A 45 11.066 -4.705 1.607 1.00 22.04 O ATOM 723 CB PRO A 45 10.444 -7.954 1.199 1.00 52.50 C ATOM 724 CG PRO A 45 9.481 -7.687 2.313 1.00 15.42 C ATOM 725 CD PRO A 45 10.312 -7.334 3.527 1.00 35.35 C ATOM 0 HA PRO A 45 12.589 -7.381 1.080 1.00 50.44 H new ATOM 0 HB2 PRO A 45 10.006 -7.716 0.230 1.00 52.50 H new ATOM 0 HB3 PRO A 45 10.735 -9.004 1.168 1.00 52.50 H new ATOM 0 HG2 PRO A 45 8.806 -6.871 2.055 1.00 15.42 H new ATOM 0 HG3 PRO A 45 8.862 -8.563 2.508 1.00 15.42 H new ATOM 0 HD2 PRO A 45 9.912 -6.463 4.045 1.00 35.35 H new ATOM 0 HD3 PRO A 45 10.333 -8.151 4.248 1.00 35.35 H new ATOM 733 N LYS A 46 11.675 -5.528 -0.399 1.00 52.33 N ATOM 734 CA LYS A 46 11.473 -4.260 -1.107 1.00 71.30 C ATOM 735 C LYS A 46 9.990 -4.075 -1.471 1.00 23.22 C ATOM 736 O LYS A 46 9.371 -4.965 -2.059 1.00 42.43 O ATOM 737 CB LYS A 46 12.339 -4.223 -2.375 1.00 63.15 C ATOM 738 CG LYS A 46 12.344 -2.873 -3.084 1.00 5.42 C ATOM 739 CD LYS A 46 12.959 -1.779 -2.212 1.00 23.24 C ATOM 740 CE LYS A 46 12.970 -0.426 -2.917 1.00 3.03 C ATOM 741 NZ LYS A 46 13.632 0.625 -2.100 1.00 25.11 N ATOM 0 H LYS A 46 12.008 -6.290 -0.990 1.00 52.33 H new ATOM 0 HA LYS A 46 11.771 -3.443 -0.450 1.00 71.30 H new ATOM 0 HB2 LYS A 46 13.363 -4.487 -2.111 1.00 63.15 H new ATOM 0 HB3 LYS A 46 11.982 -4.985 -3.068 1.00 63.15 H new ATOM 0 HG2 LYS A 46 12.904 -2.953 -4.016 1.00 5.42 H new ATOM 0 HG3 LYS A 46 11.323 -2.597 -3.348 1.00 5.42 H new ATOM 0 HD2 LYS A 46 12.397 -1.698 -1.281 1.00 23.24 H new ATOM 0 HD3 LYS A 46 13.979 -2.058 -1.946 1.00 23.24 H new ATOM 0 HE2 LYS A 46 13.486 -0.520 -3.873 1.00 3.03 H new ATOM 0 HE3 LYS A 46 11.946 -0.123 -3.136 1.00 3.03 H new ATOM 0 HZ1 LYS A 46 13.617 1.527 -2.617 1.00 25.11 H new ATOM 0 HZ2 LYS A 46 13.126 0.734 -1.198 1.00 25.11 H new ATOM 0 HZ3 LYS A 46 14.617 0.350 -1.913 1.00 25.11 H new ATOM 755 N LEU A 47 9.427 -2.918 -1.118 1.00 51.05 N ATOM 756 CA LEU A 47 7.996 -2.651 -1.318 1.00 41.41 C ATOM 757 C LEU A 47 7.738 -1.817 -2.584 1.00 40.13 C ATOM 758 O LEU A 47 8.454 -0.854 -2.866 1.00 3.32 O ATOM 759 CB LEU A 47 7.425 -1.921 -0.092 1.00 4.14 C ATOM 760 CG LEU A 47 7.646 -2.629 1.257 1.00 73.12 C ATOM 761 CD1 LEU A 47 7.118 -1.779 2.410 1.00 51.21 C ATOM 762 CD2 LEU A 47 6.990 -4.005 1.252 1.00 74.42 C ATOM 0 H LEU A 47 9.940 -2.147 -0.691 1.00 51.05 H new ATOM 0 HA LEU A 47 7.496 -3.611 -1.445 1.00 41.41 H new ATOM 0 HB2 LEU A 47 7.872 -0.928 -0.040 1.00 4.14 H new ATOM 0 HB3 LEU A 47 6.354 -1.781 -0.239 1.00 4.14 H new ATOM 0 HG LEU A 47 8.718 -2.762 1.402 1.00 73.12 H new ATOM 0 HD11 LEU A 47 7.285 -2.300 3.353 1.00 51.21 H new ATOM 0 HD12 LEU A 47 7.641 -0.823 2.426 1.00 51.21 H new ATOM 0 HD13 LEU A 47 6.050 -1.606 2.276 1.00 51.21 H new ATOM 0 HD21 LEU A 47 7.156 -4.491 2.213 1.00 74.42 H new ATOM 0 HD22 LEU A 47 5.919 -3.897 1.081 1.00 74.42 H new ATOM 0 HD23 LEU A 47 7.425 -4.613 0.458 1.00 74.42 H new ATOM 774 N PHE A 48 6.708 -2.198 -3.342 1.00 44.13 N ATOM 775 CA PHE A 48 6.298 -1.463 -4.548 1.00 11.45 C ATOM 776 C PHE A 48 4.785 -1.193 -4.537 1.00 41.31 C ATOM 777 O PHE A 48 3.999 -2.067 -4.172 1.00 21.35 O ATOM 778 CB PHE A 48 6.658 -2.259 -5.811 1.00 72.13 C ATOM 779 CG PHE A 48 8.139 -2.481 -6.002 1.00 11.14 C ATOM 780 CD1 PHE A 48 8.928 -1.510 -6.603 1.00 11.12 C ATOM 781 CD2 PHE A 48 8.739 -3.663 -5.588 1.00 61.33 C ATOM 782 CE1 PHE A 48 10.283 -1.712 -6.788 1.00 13.53 C ATOM 783 CE2 PHE A 48 10.093 -3.869 -5.770 1.00 74.31 C ATOM 784 CZ PHE A 48 10.867 -2.893 -6.370 1.00 53.20 C ATOM 0 H PHE A 48 6.136 -3.018 -3.142 1.00 44.13 H new ATOM 0 HA PHE A 48 6.830 -0.512 -4.553 1.00 11.45 H new ATOM 0 HB2 PHE A 48 6.159 -3.227 -5.771 1.00 72.13 H new ATOM 0 HB3 PHE A 48 6.265 -1.734 -6.682 1.00 72.13 H new ATOM 0 HD1 PHE A 48 8.477 -0.585 -6.930 1.00 11.12 H new ATOM 0 HD2 PHE A 48 8.141 -4.430 -5.119 1.00 61.33 H new ATOM 0 HE1 PHE A 48 10.884 -0.948 -7.258 1.00 13.53 H new ATOM 0 HE2 PHE A 48 10.547 -4.793 -5.443 1.00 74.31 H new ATOM 0 HZ PHE A 48 11.926 -3.053 -6.512 1.00 53.20 H new ATOM 794 N TRP A 49 4.381 0.015 -4.941 1.00 12.21 N ATOM 795 CA TRP A 49 2.955 0.374 -5.040 1.00 52.43 C ATOM 796 C TRP A 49 2.592 0.875 -6.448 1.00 31.12 C ATOM 797 O TRP A 49 3.270 1.734 -7.017 1.00 20.04 O ATOM 798 CB TRP A 49 2.584 1.439 -3.997 1.00 41.02 C ATOM 799 CG TRP A 49 2.461 0.899 -2.599 1.00 44.11 C ATOM 800 CD1 TRP A 49 3.457 0.768 -1.675 1.00 70.34 C ATOM 801 CD2 TRP A 49 1.265 0.429 -1.965 1.00 74.32 C ATOM 802 NE1 TRP A 49 2.954 0.242 -0.509 1.00 72.12 N ATOM 803 CE2 TRP A 49 1.612 0.027 -0.661 1.00 70.44 C ATOM 804 CE3 TRP A 49 -0.067 0.308 -2.375 1.00 34.33 C ATOM 805 CZ2 TRP A 49 0.676 -0.487 0.234 1.00 25.15 C ATOM 806 CZ3 TRP A 49 -0.995 -0.201 -1.485 1.00 65.45 C ATOM 807 CH2 TRP A 49 -0.619 -0.593 -0.193 1.00 43.20 C ATOM 0 H TRP A 49 5.019 0.765 -5.206 1.00 12.21 H new ATOM 0 HA TRP A 49 2.382 -0.532 -4.842 1.00 52.43 H new ATOM 0 HB2 TRP A 49 3.339 2.225 -4.008 1.00 41.02 H new ATOM 0 HB3 TRP A 49 1.639 1.901 -4.283 1.00 41.02 H new ATOM 0 HD1 TRP A 49 4.490 1.038 -1.837 1.00 70.34 H new ATOM 0 HE1 TRP A 49 3.494 0.044 0.333 1.00 72.12 H new ATOM 0 HE3 TRP A 49 -0.365 0.607 -3.369 1.00 34.33 H new ATOM 0 HZ2 TRP A 49 0.963 -0.791 1.230 1.00 25.15 H new ATOM 0 HZ3 TRP A 49 -2.026 -0.298 -1.791 1.00 65.45 H new ATOM 0 HH2 TRP A 49 -1.367 -0.987 0.479 1.00 43.20 H new ATOM 818 N LYS A 50 1.508 0.337 -6.999 1.00 72.15 N ATOM 819 CA LYS A 50 1.051 0.698 -8.349 1.00 61.43 C ATOM 820 C LYS A 50 -0.459 1.000 -8.372 1.00 34.21 C ATOM 821 O LYS A 50 -1.258 0.215 -7.871 1.00 62.41 O ATOM 822 CB LYS A 50 1.369 -0.450 -9.318 1.00 74.24 C ATOM 823 CG LYS A 50 0.853 -0.235 -10.737 1.00 51.32 C ATOM 824 CD LYS A 50 1.041 -1.477 -11.606 1.00 14.23 C ATOM 825 CE LYS A 50 2.506 -1.888 -11.720 1.00 52.13 C ATOM 826 NZ LYS A 50 2.681 -3.078 -12.590 1.00 51.32 N ATOM 0 H LYS A 50 0.922 -0.356 -6.533 1.00 72.15 H new ATOM 0 HA LYS A 50 1.576 1.602 -8.658 1.00 61.43 H new ATOM 0 HB2 LYS A 50 2.449 -0.591 -9.354 1.00 74.24 H new ATOM 0 HB3 LYS A 50 0.941 -1.372 -8.924 1.00 74.24 H new ATOM 0 HG2 LYS A 50 -0.204 0.027 -10.703 1.00 51.32 H new ATOM 0 HG3 LYS A 50 1.376 0.607 -11.190 1.00 51.32 H new ATOM 0 HD2 LYS A 50 0.466 -2.302 -11.186 1.00 14.23 H new ATOM 0 HD3 LYS A 50 0.641 -1.285 -12.602 1.00 14.23 H new ATOM 0 HE2 LYS A 50 3.086 -1.057 -12.121 1.00 52.13 H new ATOM 0 HE3 LYS A 50 2.901 -2.103 -10.727 1.00 52.13 H new ATOM 0 HZ1 LYS A 50 3.690 -3.325 -12.641 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 2.148 -3.879 -12.194 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 2.328 -2.865 -13.545 1.00 51.32 H new ATOM 840 N ARG A 51 -0.838 2.136 -8.962 1.00 72.42 N ATOM 841 CA ARG A 51 -2.254 2.526 -9.098 1.00 24.30 C ATOM 842 C ARG A 51 -2.656 2.637 -10.576 1.00 33.11 C ATOM 843 O ARG A 51 -2.120 3.470 -11.298 1.00 71.24 O ATOM 844 CB ARG A 51 -2.497 3.878 -8.411 1.00 72.53 C ATOM 845 CG ARG A 51 -3.910 4.427 -8.614 1.00 33.43 C ATOM 846 CD ARG A 51 -4.028 5.890 -8.186 1.00 4.24 C ATOM 847 NE ARG A 51 -3.028 6.743 -8.829 1.00 52.13 N ATOM 848 CZ ARG A 51 -2.968 6.986 -10.115 1.00 40.54 C ATOM 849 NH1 ARG A 51 -3.822 6.461 -10.937 1.00 44.55 N ATOM 850 NH2 ARG A 51 -2.046 7.763 -10.575 1.00 12.44 N ATOM 0 H ARG A 51 -0.183 2.810 -9.358 1.00 72.42 H new ATOM 0 HA ARG A 51 -2.860 1.754 -8.624 1.00 24.30 H new ATOM 0 HB2 ARG A 51 -2.308 3.772 -7.343 1.00 72.53 H new ATOM 0 HB3 ARG A 51 -1.777 4.603 -8.791 1.00 72.53 H new ATOM 0 HG2 ARG A 51 -4.187 4.334 -9.664 1.00 33.43 H new ATOM 0 HG3 ARG A 51 -4.617 3.825 -8.043 1.00 33.43 H new ATOM 0 HD2 ARG A 51 -5.025 6.257 -8.429 1.00 4.24 H new ATOM 0 HD3 ARG A 51 -3.918 5.959 -7.104 1.00 4.24 H new ATOM 0 HE ARG A 51 -2.326 7.181 -8.232 1.00 52.13 H new ATOM 0 HH11 ARG A 51 -4.557 5.847 -10.586 1.00 44.55 H new ATOM 0 HH12 ARG A 51 -3.759 6.662 -11.935 1.00 44.55 H new ATOM 0 HH21 ARG A 51 -1.369 8.184 -9.938 1.00 12.44 H new ATOM 0 HH22 ARG A 51 -1.994 7.956 -11.575 1.00 12.44 H new ATOM 864 N ASN A 52 -3.599 1.804 -11.023 1.00 61.34 N ATOM 865 CA ASN A 52 -4.075 1.838 -12.424 1.00 72.01 C ATOM 866 C ASN A 52 -2.919 1.647 -13.421 1.00 62.03 C ATOM 867 O ASN A 52 -2.920 2.238 -14.502 1.00 63.14 O ATOM 868 CB ASN A 52 -4.792 3.166 -12.725 1.00 62.11 C ATOM 869 CG ASN A 52 -6.006 3.396 -11.851 1.00 45.22 C ATOM 870 OD1 ASN A 52 -6.622 2.458 -11.358 1.00 42.24 O ATOM 871 ND2 ASN A 52 -6.377 4.648 -11.671 1.00 34.24 N ATOM 0 H ASN A 52 -4.052 1.097 -10.444 1.00 61.34 H new ATOM 0 HA ASN A 52 -4.776 1.012 -12.543 1.00 72.01 H new ATOM 0 HB2 ASN A 52 -4.091 3.990 -12.588 1.00 62.11 H new ATOM 0 HB3 ASN A 52 -5.097 3.178 -13.771 1.00 62.11 H new ATOM 0 HD21 ASN A 52 -7.200 4.860 -11.107 1.00 34.24 H new ATOM 0 HD22 ASN A 52 -5.841 5.405 -12.096 1.00 34.24 H new ATOM 878 N ASN A 53 -1.953 0.804 -13.056 1.00 22.10 N ATOM 879 CA ASN A 53 -0.741 0.585 -13.865 1.00 53.53 C ATOM 880 C ASN A 53 0.138 1.849 -13.934 1.00 23.21 C ATOM 881 O ASN A 53 0.947 2.014 -14.848 1.00 2.13 O ATOM 882 CB ASN A 53 -1.103 0.081 -15.268 1.00 63.41 C ATOM 883 CG ASN A 53 -1.816 -1.257 -15.219 1.00 13.10 C ATOM 884 OD1 ASN A 53 -1.621 -2.041 -14.296 1.00 63.44 O ATOM 885 ND2 ASN A 53 -2.643 -1.534 -16.204 1.00 75.42 N ATOM 0 H ASN A 53 -1.982 0.254 -12.198 1.00 22.10 H new ATOM 0 HA ASN A 53 -0.152 -0.187 -13.370 1.00 53.53 H new ATOM 0 HB2 ASN A 53 -1.739 0.814 -15.765 1.00 63.41 H new ATOM 0 HB3 ASN A 53 -0.196 -0.012 -15.866 1.00 63.41 H new ATOM 0 HD21 ASN A 53 -3.144 -2.422 -16.215 1.00 75.42 H new ATOM 0 HD22 ASN A 53 -2.783 -0.860 -16.957 1.00 75.42 H new ATOM 892 N GLU A 54 -0.034 2.731 -12.953 1.00 1.20 N ATOM 893 CA GLU A 54 0.836 3.900 -12.774 1.00 13.31 C ATOM 894 C GLU A 54 1.739 3.709 -11.543 1.00 63.34 C ATOM 895 O GLU A 54 1.268 3.314 -10.474 1.00 72.01 O ATOM 896 CB GLU A 54 -0.002 5.178 -12.600 1.00 24.24 C ATOM 897 CG GLU A 54 -0.875 5.531 -13.800 1.00 33.44 C ATOM 898 CD GLU A 54 -1.750 6.751 -13.539 1.00 31.11 C ATOM 899 OE1 GLU A 54 -1.198 7.839 -13.263 1.00 30.42 O ATOM 900 OE2 GLU A 54 -2.994 6.626 -13.573 1.00 1.22 O ATOM 0 H GLU A 54 -0.778 2.660 -12.259 1.00 1.20 H new ATOM 0 HA GLU A 54 1.456 4.001 -13.665 1.00 13.31 H new ATOM 0 HB2 GLU A 54 -0.640 5.062 -11.724 1.00 24.24 H new ATOM 0 HB3 GLU A 54 0.669 6.013 -12.397 1.00 24.24 H new ATOM 0 HG2 GLU A 54 -0.240 5.720 -14.665 1.00 33.44 H new ATOM 0 HG3 GLU A 54 -1.508 4.679 -14.049 1.00 33.44 H new ATOM 907 N MET A 55 3.031 3.985 -11.696 1.00 20.05 N ATOM 908 CA MET A 55 3.986 3.854 -10.589 1.00 3.10 C ATOM 909 C MET A 55 3.756 4.951 -9.532 1.00 11.13 C ATOM 910 O MET A 55 3.924 6.142 -9.811 1.00 5.54 O ATOM 911 CB MET A 55 5.425 3.925 -11.125 1.00 51.42 C ATOM 912 CG MET A 55 6.512 3.631 -10.086 1.00 12.13 C ATOM 913 SD MET A 55 6.930 1.871 -9.943 1.00 32.15 S ATOM 914 CE MET A 55 5.473 1.181 -9.160 1.00 33.45 C ATOM 0 H MET A 55 3.445 4.301 -12.573 1.00 20.05 H new ATOM 0 HA MET A 55 3.830 2.886 -10.113 1.00 3.10 H new ATOM 0 HB2 MET A 55 5.527 3.217 -11.947 1.00 51.42 H new ATOM 0 HB3 MET A 55 5.596 4.919 -11.538 1.00 51.42 H new ATOM 0 HG2 MET A 55 7.411 4.189 -10.347 1.00 12.13 H new ATOM 0 HG3 MET A 55 6.181 3.997 -9.114 1.00 12.13 H new ATOM 0 HE1 MET A 55 5.763 0.342 -8.527 1.00 33.45 H new ATOM 0 HE2 MET A 55 4.991 1.946 -8.551 1.00 33.45 H new ATOM 0 HE3 MET A 55 4.778 0.835 -9.925 1.00 33.45 H new ATOM 924 N VAL A 56 3.365 4.545 -8.324 1.00 54.54 N ATOM 925 CA VAL A 56 3.068 5.495 -7.243 1.00 62.43 C ATOM 926 C VAL A 56 4.348 5.969 -6.535 1.00 65.23 C ATOM 927 O VAL A 56 5.103 5.164 -5.990 1.00 44.54 O ATOM 928 CB VAL A 56 2.109 4.872 -6.194 1.00 4.54 C ATOM 929 CG1 VAL A 56 1.792 5.868 -5.076 1.00 12.43 C ATOM 930 CG2 VAL A 56 0.824 4.375 -6.859 1.00 24.23 C ATOM 0 H VAL A 56 3.245 3.565 -8.066 1.00 54.54 H new ATOM 0 HA VAL A 56 2.584 6.354 -7.708 1.00 62.43 H new ATOM 0 HB VAL A 56 2.614 4.016 -5.747 1.00 4.54 H new ATOM 0 HG11 VAL A 56 1.118 5.404 -4.356 1.00 12.43 H new ATOM 0 HG12 VAL A 56 2.715 6.158 -4.575 1.00 12.43 H new ATOM 0 HG13 VAL A 56 1.316 6.752 -5.500 1.00 12.43 H new ATOM 0 HG21 VAL A 56 0.167 3.942 -6.104 1.00 24.23 H new ATOM 0 HG22 VAL A 56 0.319 5.210 -7.344 1.00 24.23 H new ATOM 0 HG23 VAL A 56 1.069 3.618 -7.604 1.00 24.23 H new ATOM 940 N GLN A 57 4.586 7.280 -6.553 1.00 11.51 N ATOM 941 CA GLN A 57 5.728 7.872 -5.848 1.00 61.01 C ATOM 942 C GLN A 57 5.288 8.496 -4.517 1.00 33.13 C ATOM 943 O GLN A 57 4.139 8.902 -4.358 1.00 25.42 O ATOM 944 CB GLN A 57 6.412 8.925 -6.729 1.00 42.41 C ATOM 945 CG GLN A 57 7.041 8.350 -7.993 1.00 23.43 C ATOM 946 CD GLN A 57 7.833 9.383 -8.779 1.00 71.31 C ATOM 947 OE1 GLN A 57 7.303 10.061 -9.653 1.00 63.44 O ATOM 948 NE2 GLN A 57 9.108 9.513 -8.471 1.00 14.35 N ATOM 0 H GLN A 57 4.004 7.955 -7.048 1.00 11.51 H new ATOM 0 HA GLN A 57 6.442 7.077 -5.632 1.00 61.01 H new ATOM 0 HB2 GLN A 57 5.680 9.682 -7.010 1.00 42.41 H new ATOM 0 HB3 GLN A 57 7.183 9.428 -6.146 1.00 42.41 H new ATOM 0 HG2 GLN A 57 7.698 7.524 -7.723 1.00 23.43 H new ATOM 0 HG3 GLN A 57 6.257 7.939 -8.629 1.00 23.43 H new ATOM 0 HE21 GLN A 57 9.517 8.933 -7.739 1.00 14.35 H new ATOM 0 HE22 GLN A 57 9.685 10.194 -8.965 1.00 14.35 H new ATOM 957 N PHE A 58 6.218 8.582 -3.571 1.00 74.01 N ATOM 958 CA PHE A 58 5.902 9.018 -2.202 1.00 35.14 C ATOM 959 C PHE A 58 6.580 10.357 -1.859 1.00 62.42 C ATOM 960 O PHE A 58 6.812 10.668 -0.691 1.00 50.00 O ATOM 961 CB PHE A 58 6.345 7.928 -1.217 1.00 4.31 C ATOM 962 CG PHE A 58 5.864 6.551 -1.604 1.00 72.14 C ATOM 963 CD1 PHE A 58 4.560 6.160 -1.344 1.00 11.24 C ATOM 964 CD2 PHE A 58 6.712 5.656 -2.241 1.00 74.51 C ATOM 965 CE1 PHE A 58 4.110 4.906 -1.709 1.00 14.42 C ATOM 966 CE2 PHE A 58 6.269 4.399 -2.606 1.00 5.45 C ATOM 967 CZ PHE A 58 4.965 4.024 -2.340 1.00 11.51 C ATOM 0 H PHE A 58 7.201 8.356 -3.721 1.00 74.01 H new ATOM 0 HA PHE A 58 4.826 9.174 -2.127 1.00 35.14 H new ATOM 0 HB2 PHE A 58 7.433 7.922 -1.156 1.00 4.31 H new ATOM 0 HB3 PHE A 58 5.971 8.171 -0.223 1.00 4.31 H new ATOM 0 HD1 PHE A 58 3.887 6.845 -0.850 1.00 11.24 H new ATOM 0 HD2 PHE A 58 7.730 5.945 -2.454 1.00 74.51 H new ATOM 0 HE1 PHE A 58 3.091 4.616 -1.501 1.00 14.42 H new ATOM 0 HE2 PHE A 58 6.940 3.711 -3.098 1.00 5.45 H new ATOM 0 HZ PHE A 58 4.616 3.043 -2.625 1.00 11.51 H new ATOM 977 N ASN A 59 6.858 11.157 -2.883 1.00 60.43 N ATOM 978 CA ASN A 59 7.569 12.435 -2.713 1.00 42.32 C ATOM 979 C ASN A 59 6.613 13.620 -2.457 1.00 11.11 C ATOM 980 O ASN A 59 6.998 14.780 -2.626 1.00 44.54 O ATOM 981 CB ASN A 59 8.403 12.720 -3.965 1.00 55.42 C ATOM 982 CG ASN A 59 7.536 12.859 -5.201 1.00 11.35 C ATOM 983 OD1 ASN A 59 7.257 11.887 -5.894 1.00 10.53 O ATOM 984 ND2 ASN A 59 7.099 14.068 -5.487 1.00 34.53 N ATOM 0 H ASN A 59 6.603 10.948 -3.848 1.00 60.43 H new ATOM 0 HA ASN A 59 8.207 12.337 -1.835 1.00 42.32 H new ATOM 0 HB2 ASN A 59 8.977 13.635 -3.819 1.00 55.42 H new ATOM 0 HB3 ASN A 59 9.122 11.914 -4.114 1.00 55.42 H new ATOM 0 HD21 ASN A 59 6.510 14.217 -6.306 1.00 34.53 H new ATOM 0 HD22 ASN A 59 7.350 14.856 -4.889 1.00 34.53 H new ATOM 991 N THR A 60 5.383 13.337 -2.039 1.00 60.42 N ATOM 992 CA THR A 60 4.372 14.391 -1.844 1.00 73.15 C ATOM 993 C THR A 60 3.591 14.209 -0.539 1.00 10.54 C ATOM 994 O THR A 60 3.572 13.128 0.044 1.00 5.33 O ATOM 995 CB THR A 60 3.364 14.435 -3.022 1.00 11.32 C ATOM 996 OG1 THR A 60 2.356 15.432 -2.779 1.00 4.44 O ATOM 997 CG2 THR A 60 2.697 13.077 -3.233 1.00 44.22 C ATOM 0 H THR A 60 5.056 12.394 -1.828 1.00 60.42 H new ATOM 0 HA THR A 60 4.924 15.330 -1.798 1.00 73.15 H new ATOM 0 HB THR A 60 3.920 14.691 -3.924 1.00 11.32 H new ATOM 0 HG1 THR A 60 1.727 15.451 -3.530 1.00 4.44 H new ATOM 0 HG21 THR A 60 1.996 13.141 -4.066 1.00 44.22 H new ATOM 0 HG22 THR A 60 3.458 12.329 -3.456 1.00 44.22 H new ATOM 0 HG23 THR A 60 2.160 12.791 -2.328 1.00 44.22 H new ATOM 1005 N ASP A 61 2.940 15.280 -0.092 1.00 63.11 N ATOM 1006 CA ASP A 61 2.115 15.242 1.119 1.00 5.52 C ATOM 1007 C ASP A 61 0.840 14.406 0.898 1.00 65.22 C ATOM 1008 O ASP A 61 0.299 13.820 1.833 1.00 53.42 O ATOM 1009 CB ASP A 61 1.762 16.676 1.542 1.00 74.24 C ATOM 1010 CG ASP A 61 0.809 16.735 2.726 1.00 54.35 C ATOM 1011 OD1 ASP A 61 1.183 16.279 3.827 1.00 44.12 O ATOM 1012 OD2 ASP A 61 -0.313 17.263 2.568 1.00 34.31 O ATOM 0 H ASP A 61 2.966 16.191 -0.551 1.00 63.11 H new ATOM 0 HA ASP A 61 2.683 14.763 1.917 1.00 5.52 H new ATOM 0 HB2 ASP A 61 2.678 17.209 1.795 1.00 74.24 H new ATOM 0 HB3 ASP A 61 1.313 17.197 0.696 1.00 74.24 H new ATOM 1017 N ARG A 62 0.382 14.332 -0.354 1.00 72.00 N ATOM 1018 CA ARG A 62 -0.840 13.583 -0.685 1.00 75.04 C ATOM 1019 C ARG A 62 -0.620 12.060 -0.593 1.00 50.13 C ATOM 1020 O ARG A 62 -1.579 11.296 -0.513 1.00 1.41 O ATOM 1021 CB ARG A 62 -1.339 13.957 -2.092 1.00 15.24 C ATOM 1022 CG ARG A 62 -1.582 15.454 -2.291 1.00 63.53 C ATOM 1023 CD ARG A 62 -2.155 15.766 -3.677 1.00 45.14 C ATOM 1024 NE ARG A 62 -3.574 15.411 -3.792 1.00 42.21 N ATOM 1025 CZ ARG A 62 -4.105 14.788 -4.815 1.00 32.01 C ATOM 1026 NH1 ARG A 62 -3.373 14.375 -5.799 1.00 20.23 N ATOM 1027 NH2 ARG A 62 -5.380 14.583 -4.854 1.00 43.34 N ATOM 0 H ARG A 62 0.833 14.777 -1.153 1.00 72.00 H new ATOM 0 HA ARG A 62 -1.597 13.858 0.049 1.00 75.04 H new ATOM 0 HB2 ARG A 62 -0.609 13.618 -2.827 1.00 15.24 H new ATOM 0 HB3 ARG A 62 -2.266 13.420 -2.292 1.00 15.24 H new ATOM 0 HG2 ARG A 62 -2.270 15.814 -1.526 1.00 63.53 H new ATOM 0 HG3 ARG A 62 -0.645 15.994 -2.157 1.00 63.53 H new ATOM 0 HD2 ARG A 62 -2.032 16.828 -3.887 1.00 45.14 H new ATOM 0 HD3 ARG A 62 -1.586 15.224 -4.432 1.00 45.14 H new ATOM 0 HE ARG A 62 -4.191 15.667 -3.021 1.00 42.21 H new ATOM 0 HH11 ARG A 62 -2.365 14.533 -5.786 1.00 20.23 H new ATOM 0 HH12 ARG A 62 -3.804 13.892 -6.587 1.00 20.23 H new ATOM 0 HH21 ARG A 62 -5.972 14.906 -4.089 1.00 43.34 H new ATOM 0 HH22 ARG A 62 -5.794 14.098 -5.650 1.00 43.34 H new ATOM 1041 N ILE A 63 0.642 11.625 -0.608 1.00 25.10 N ATOM 1042 CA ILE A 63 0.979 10.194 -0.533 1.00 21.14 C ATOM 1043 C ILE A 63 2.165 9.950 0.422 1.00 42.42 C ATOM 1044 O ILE A 63 3.233 10.537 0.263 1.00 60.20 O ATOM 1045 CB ILE A 63 1.340 9.623 -1.937 1.00 21.32 C ATOM 1046 CG1 ILE A 63 0.170 9.783 -2.927 1.00 73.01 C ATOM 1047 CG2 ILE A 63 1.748 8.156 -1.834 1.00 34.24 C ATOM 1048 CD1 ILE A 63 -1.076 9.012 -2.540 1.00 42.21 C ATOM 0 H ILE A 63 1.452 12.242 -0.671 1.00 25.10 H new ATOM 0 HA ILE A 63 0.095 9.682 -0.152 1.00 21.14 H new ATOM 0 HB ILE A 63 2.185 10.196 -2.318 1.00 21.32 H new ATOM 0 HG12 ILE A 63 -0.081 10.841 -3.009 1.00 73.01 H new ATOM 0 HG13 ILE A 63 0.496 9.455 -3.914 1.00 73.01 H new ATOM 0 HG21 ILE A 63 1.996 7.777 -2.825 1.00 34.24 H new ATOM 0 HG22 ILE A 63 2.617 8.065 -1.183 1.00 34.24 H new ATOM 0 HG23 ILE A 63 0.922 7.577 -1.420 1.00 34.24 H new ATOM 0 HD11 ILE A 63 -1.853 9.177 -3.287 1.00 42.21 H new ATOM 0 HD12 ILE A 63 -0.844 7.948 -2.487 1.00 42.21 H new ATOM 0 HD13 ILE A 63 -1.429 9.355 -1.568 1.00 42.21 H new ATOM 1060 N SER A 64 1.976 9.075 1.410 1.00 43.33 N ATOM 1061 CA SER A 64 3.046 8.728 2.364 1.00 34.33 C ATOM 1062 C SER A 64 3.045 7.226 2.676 1.00 24.43 C ATOM 1063 O SER A 64 1.988 6.607 2.748 1.00 32.22 O ATOM 1064 CB SER A 64 2.897 9.529 3.669 1.00 11.14 C ATOM 1065 OG SER A 64 3.034 10.927 3.442 1.00 43.44 O ATOM 0 H SER A 64 1.094 8.590 1.576 1.00 43.33 H new ATOM 0 HA SER A 64 3.996 8.986 1.897 1.00 34.33 H new ATOM 0 HB2 SER A 64 1.922 9.325 4.113 1.00 11.14 H new ATOM 0 HB3 SER A 64 3.649 9.201 4.387 1.00 11.14 H new ATOM 0 HG SER A 64 2.933 11.408 4.290 1.00 43.44 H new ATOM 1071 N LEU A 65 4.231 6.648 2.868 1.00 10.33 N ATOM 1072 CA LEU A 65 4.361 5.207 3.143 1.00 73.23 C ATOM 1073 C LEU A 65 5.445 4.926 4.199 1.00 54.44 C ATOM 1074 O LEU A 65 6.540 5.487 4.139 1.00 34.21 O ATOM 1075 CB LEU A 65 4.712 4.455 1.847 1.00 14.40 C ATOM 1076 CG LEU A 65 4.913 2.934 1.996 1.00 64.13 C ATOM 1077 CD1 LEU A 65 3.595 2.243 2.336 1.00 72.10 C ATOM 1078 CD2 LEU A 65 5.527 2.338 0.730 1.00 12.13 C ATOM 0 H LEU A 65 5.118 7.151 2.839 1.00 10.33 H new ATOM 0 HA LEU A 65 3.404 4.859 3.532 1.00 73.23 H new ATOM 0 HB2 LEU A 65 3.919 4.630 1.120 1.00 14.40 H new ATOM 0 HB3 LEU A 65 5.624 4.886 1.433 1.00 14.40 H new ATOM 0 HG LEU A 65 5.607 2.765 2.819 1.00 64.13 H new ATOM 0 HD11 LEU A 65 3.762 1.170 2.436 1.00 72.10 H new ATOM 0 HD12 LEU A 65 3.208 2.639 3.275 1.00 72.10 H new ATOM 0 HD13 LEU A 65 2.873 2.425 1.540 1.00 72.10 H new ATOM 0 HD21 LEU A 65 5.659 1.264 0.860 1.00 12.13 H new ATOM 0 HD22 LEU A 65 4.866 2.522 -0.117 1.00 12.13 H new ATOM 0 HD23 LEU A 65 6.495 2.802 0.542 1.00 12.13 H new ATOM 1090 N TYR A 66 5.136 4.065 5.168 1.00 21.33 N ATOM 1091 CA TYR A 66 6.141 3.614 6.139 1.00 64.14 C ATOM 1092 C TYR A 66 5.940 2.134 6.509 1.00 72.14 C ATOM 1093 O TYR A 66 4.822 1.612 6.458 1.00 51.13 O ATOM 1094 CB TYR A 66 6.114 4.486 7.409 1.00 63.20 C ATOM 1095 CG TYR A 66 4.957 4.196 8.356 1.00 11.23 C ATOM 1096 CD1 TYR A 66 3.718 4.807 8.190 1.00 31.12 C ATOM 1097 CD2 TYR A 66 5.111 3.306 9.419 1.00 73.20 C ATOM 1098 CE1 TYR A 66 2.671 4.541 9.053 1.00 41.32 C ATOM 1099 CE2 TYR A 66 4.068 3.035 10.282 1.00 14.04 C ATOM 1100 CZ TYR A 66 2.851 3.653 10.096 1.00 14.43 C ATOM 1101 OH TYR A 66 1.808 3.379 10.955 1.00 45.30 O ATOM 0 H TYR A 66 4.207 3.667 5.304 1.00 21.33 H new ATOM 0 HA TYR A 66 7.117 3.718 5.666 1.00 64.14 H new ATOM 0 HB2 TYR A 66 7.051 4.347 7.949 1.00 63.20 H new ATOM 0 HB3 TYR A 66 6.069 5.534 7.113 1.00 63.20 H new ATOM 0 HD1 TYR A 66 3.572 5.500 7.374 1.00 31.12 H new ATOM 0 HD2 TYR A 66 6.064 2.820 9.570 1.00 73.20 H new ATOM 0 HE1 TYR A 66 1.716 5.026 8.912 1.00 41.32 H new ATOM 0 HE2 TYR A 66 4.206 2.342 11.099 1.00 14.04 H new ATOM 0 HH TYR A 66 2.102 2.734 11.631 1.00 45.30 H new ATOM 1111 N GLN A 67 7.031 1.465 6.877 1.00 41.45 N ATOM 1112 CA GLN A 67 6.969 0.095 7.396 1.00 11.42 C ATOM 1113 C GLN A 67 7.426 0.053 8.863 1.00 42.02 C ATOM 1114 O GLN A 67 8.412 0.693 9.238 1.00 61.22 O ATOM 1115 CB GLN A 67 7.824 -0.863 6.545 1.00 5.31 C ATOM 1116 CG GLN A 67 9.301 -0.484 6.456 1.00 25.44 C ATOM 1117 CD GLN A 67 10.151 -1.569 5.808 1.00 72.40 C ATOM 1118 OE1 GLN A 67 10.679 -2.446 6.483 1.00 41.12 O ATOM 1119 NE2 GLN A 67 10.289 -1.520 4.498 1.00 32.30 N ATOM 0 H GLN A 67 7.974 1.850 6.826 1.00 41.45 H new ATOM 0 HA GLN A 67 5.932 -0.236 7.340 1.00 11.42 H new ATOM 0 HB2 GLN A 67 7.744 -1.867 6.961 1.00 5.31 H new ATOM 0 HB3 GLN A 67 7.410 -0.901 5.537 1.00 5.31 H new ATOM 0 HG2 GLN A 67 9.401 0.439 5.885 1.00 25.44 H new ATOM 0 HG3 GLN A 67 9.680 -0.281 7.458 1.00 25.44 H new ATOM 0 HE21 GLN A 67 9.837 -0.777 3.965 1.00 32.30 H new ATOM 0 HE22 GLN A 67 10.848 -2.225 4.017 1.00 32.30 H new ATOM 1128 N ASP A 68 6.697 -0.689 9.689 1.00 72.02 N ATOM 1129 CA ASP A 68 7.005 -0.803 11.118 1.00 31.43 C ATOM 1130 C ASP A 68 7.845 -2.066 11.400 1.00 72.24 C ATOM 1131 O ASP A 68 7.959 -2.952 10.548 1.00 62.02 O ATOM 1132 CB ASP A 68 5.693 -0.835 11.921 1.00 2.13 C ATOM 1133 CG ASP A 68 5.909 -0.672 13.415 1.00 40.11 C ATOM 1134 OD1 ASP A 68 6.165 -1.681 14.100 1.00 14.32 O ATOM 1135 OD2 ASP A 68 5.837 0.470 13.913 1.00 55.01 O ATOM 0 H ASP A 68 5.881 -1.226 9.395 1.00 72.02 H new ATOM 0 HA ASP A 68 7.594 0.062 11.424 1.00 31.43 H new ATOM 0 HB2 ASP A 68 5.036 -0.041 11.565 1.00 2.13 H new ATOM 0 HB3 ASP A 68 5.182 -1.779 11.734 1.00 2.13 H new ATOM 1140 N ASN A 69 8.423 -2.148 12.600 1.00 30.33 N ATOM 1141 CA ASN A 69 9.229 -3.311 13.005 1.00 35.34 C ATOM 1142 C ASN A 69 8.372 -4.587 13.095 1.00 13.32 C ATOM 1143 O ASN A 69 8.873 -5.699 12.920 1.00 32.01 O ATOM 1144 CB ASN A 69 9.924 -3.028 14.345 1.00 15.02 C ATOM 1145 CG ASN A 69 10.695 -4.226 14.874 1.00 54.43 C ATOM 1146 OD1 ASN A 69 10.193 -4.994 15.688 1.00 52.22 O ATOM 1147 ND2 ASN A 69 11.911 -4.410 14.399 1.00 55.52 N ATOM 0 H ASN A 69 8.350 -1.423 13.313 1.00 30.33 H new ATOM 0 HA ASN A 69 9.988 -3.481 12.241 1.00 35.34 H new ATOM 0 HB2 ASN A 69 10.607 -2.187 14.224 1.00 15.02 H new ATOM 0 HB3 ASN A 69 9.177 -2.729 15.080 1.00 15.02 H new ATOM 0 HD21 ASN A 69 12.463 -5.210 14.708 1.00 55.52 H new ATOM 0 HD22 ASN A 69 12.299 -3.752 13.723 1.00 55.52 H new ATOM 1154 N THR A 70 7.075 -4.420 13.352 1.00 74.43 N ATOM 1155 CA THR A 70 6.133 -5.555 13.376 1.00 1.32 C ATOM 1156 C THR A 70 5.847 -6.075 11.960 1.00 74.11 C ATOM 1157 O THR A 70 5.134 -7.064 11.780 1.00 33.34 O ATOM 1158 CB THR A 70 4.780 -5.162 14.013 1.00 75.12 C ATOM 1159 OG1 THR A 70 4.126 -4.180 13.193 1.00 30.42 O ATOM 1160 CG2 THR A 70 4.968 -4.613 15.425 1.00 15.51 C ATOM 0 H THR A 70 6.647 -3.515 13.547 1.00 74.43 H new ATOM 0 HA THR A 70 6.612 -6.331 13.973 1.00 1.32 H new ATOM 0 HB THR A 70 4.163 -6.058 14.079 1.00 75.12 H new ATOM 0 HG1 THR A 70 3.268 -3.934 13.598 1.00 30.42 H new ATOM 0 HG21 THR A 70 3.998 -4.346 15.844 1.00 15.51 H new ATOM 0 HG22 THR A 70 5.437 -5.372 16.051 1.00 15.51 H new ATOM 0 HG23 THR A 70 5.603 -3.728 15.390 1.00 15.51 H new ATOM 1168 N GLY A 71 6.404 -5.399 10.960 1.00 43.53 N ATOM 1169 CA GLY A 71 6.120 -5.735 9.572 1.00 43.33 C ATOM 1170 C GLY A 71 4.891 -5.009 9.038 1.00 33.21 C ATOM 1171 O GLY A 71 4.405 -5.310 7.947 1.00 23.13 O ATOM 0 H GLY A 71 7.051 -4.620 11.085 1.00 43.53 H new ATOM 0 HA2 GLY A 71 6.983 -5.483 8.956 1.00 43.33 H new ATOM 0 HA3 GLY A 71 5.969 -6.811 9.485 1.00 43.33 H new ATOM 1175 N ARG A 72 4.383 -4.052 9.815 1.00 22.31 N ATOM 1176 CA ARG A 72 3.198 -3.283 9.422 1.00 72.55 C ATOM 1177 C ARG A 72 3.530 -2.268 8.319 1.00 22.33 C ATOM 1178 O ARG A 72 4.212 -1.273 8.560 1.00 55.33 O ATOM 1179 CB ARG A 72 2.620 -2.553 10.645 1.00 71.43 C ATOM 1180 CG ARG A 72 1.334 -1.774 10.363 1.00 25.02 C ATOM 1181 CD ARG A 72 0.858 -1.011 11.597 1.00 10.20 C ATOM 1182 NE ARG A 72 -0.362 -0.240 11.344 1.00 23.40 N ATOM 1183 CZ ARG A 72 -0.652 0.889 11.934 1.00 31.05 C ATOM 1184 NH1 ARG A 72 0.133 1.387 12.834 1.00 31.12 N ATOM 1185 NH2 ARG A 72 -1.745 1.515 11.638 1.00 34.30 N ATOM 0 H ARG A 72 4.772 -3.790 10.720 1.00 22.31 H new ATOM 0 HA ARG A 72 2.459 -3.980 9.028 1.00 72.55 H new ATOM 0 HB2 ARG A 72 2.424 -3.283 11.430 1.00 71.43 H new ATOM 0 HB3 ARG A 72 3.371 -1.864 11.031 1.00 71.43 H new ATOM 0 HG2 ARG A 72 1.504 -1.074 9.545 1.00 25.02 H new ATOM 0 HG3 ARG A 72 0.555 -2.463 10.037 1.00 25.02 H new ATOM 0 HD2 ARG A 72 0.677 -1.716 12.408 1.00 10.20 H new ATOM 0 HD3 ARG A 72 1.647 -0.337 11.930 1.00 10.20 H new ATOM 0 HE ARG A 72 -1.027 -0.608 10.664 1.00 23.40 H new ATOM 0 HH11 ARG A 72 0.990 0.897 13.091 1.00 31.12 H new ATOM 0 HH12 ARG A 72 -0.105 2.269 13.287 1.00 31.12 H new ATOM 0 HH21 ARG A 72 -2.383 1.127 10.943 1.00 34.30 H new ATOM 0 HH22 ARG A 72 -1.969 2.396 12.100 1.00 34.30 H new ATOM 1199 N VAL A 73 3.043 -2.528 7.111 1.00 44.35 N ATOM 1200 CA VAL A 73 3.205 -1.602 5.985 1.00 62.34 C ATOM 1201 C VAL A 73 1.957 -0.723 5.839 1.00 75.45 C ATOM 1202 O VAL A 73 0.870 -1.228 5.568 1.00 41.34 O ATOM 1203 CB VAL A 73 3.452 -2.371 4.662 1.00 42.12 C ATOM 1204 CG1 VAL A 73 3.628 -1.405 3.490 1.00 21.03 C ATOM 1205 CG2 VAL A 73 4.666 -3.291 4.797 1.00 12.15 C ATOM 0 H VAL A 73 2.528 -3.378 6.881 1.00 44.35 H new ATOM 0 HA VAL A 73 4.072 -0.974 6.190 1.00 62.34 H new ATOM 0 HB VAL A 73 2.576 -2.986 4.457 1.00 42.12 H new ATOM 0 HG11 VAL A 73 3.800 -1.971 2.575 1.00 21.03 H new ATOM 0 HG12 VAL A 73 2.728 -0.800 3.379 1.00 21.03 H new ATOM 0 HG13 VAL A 73 4.482 -0.754 3.680 1.00 21.03 H new ATOM 0 HG21 VAL A 73 4.825 -3.823 3.859 1.00 12.15 H new ATOM 0 HG22 VAL A 73 5.549 -2.696 5.031 1.00 12.15 H new ATOM 0 HG23 VAL A 73 4.490 -4.010 5.597 1.00 12.15 H new ATOM 1215 N THR A 74 2.111 0.587 6.032 1.00 45.14 N ATOM 1216 CA THR A 74 0.964 1.511 6.031 1.00 53.30 C ATOM 1217 C THR A 74 1.099 2.614 4.970 1.00 21.01 C ATOM 1218 O THR A 74 2.053 3.394 4.986 1.00 35.25 O ATOM 1219 CB THR A 74 0.780 2.178 7.417 1.00 42.10 C ATOM 1220 OG1 THR A 74 0.643 1.180 8.441 1.00 14.41 O ATOM 1221 CG2 THR A 74 -0.444 3.093 7.436 1.00 72.42 C ATOM 0 H THR A 74 3.013 1.036 6.191 1.00 45.14 H new ATOM 0 HA THR A 74 0.091 0.903 5.792 1.00 53.30 H new ATOM 0 HB THR A 74 1.668 2.780 7.611 1.00 42.10 H new ATOM 0 HG1 THR A 74 0.529 1.617 9.311 1.00 14.41 H new ATOM 0 HG21 THR A 74 -0.545 3.545 8.423 1.00 72.42 H new ATOM 0 HG22 THR A 74 -0.324 3.877 6.688 1.00 72.42 H new ATOM 0 HG23 THR A 74 -1.337 2.510 7.211 1.00 72.42 H new ATOM 1229 N LEU A 75 0.133 2.666 4.055 1.00 11.44 N ATOM 1230 CA LEU A 75 0.058 3.722 3.037 1.00 12.13 C ATOM 1231 C LEU A 75 -1.024 4.754 3.403 1.00 74.44 C ATOM 1232 O LEU A 75 -2.187 4.402 3.605 1.00 30.22 O ATOM 1233 CB LEU A 75 -0.255 3.115 1.659 1.00 63.34 C ATOM 1234 CG LEU A 75 -0.338 4.123 0.497 1.00 62.44 C ATOM 1235 CD1 LEU A 75 1.023 4.762 0.229 1.00 31.54 C ATOM 1236 CD2 LEU A 75 -0.889 3.455 -0.763 1.00 51.24 C ATOM 0 H LEU A 75 -0.620 1.981 3.995 1.00 11.44 H new ATOM 0 HA LEU A 75 1.025 4.223 2.998 1.00 12.13 H new ATOM 0 HB2 LEU A 75 0.512 2.377 1.423 1.00 63.34 H new ATOM 0 HB3 LEU A 75 -1.203 2.581 1.723 1.00 63.34 H new ATOM 0 HG LEU A 75 -1.027 4.916 0.786 1.00 62.44 H new ATOM 0 HD11 LEU A 75 0.937 5.469 -0.596 1.00 31.54 H new ATOM 0 HD12 LEU A 75 1.361 5.286 1.123 1.00 31.54 H new ATOM 0 HD13 LEU A 75 1.744 3.987 -0.032 1.00 31.54 H new ATOM 0 HD21 LEU A 75 -0.939 4.186 -1.570 1.00 51.24 H new ATOM 0 HD22 LEU A 75 -0.234 2.635 -1.056 1.00 51.24 H new ATOM 0 HD23 LEU A 75 -1.888 3.068 -0.562 1.00 51.24 H new ATOM 1248 N LEU A 76 -0.635 6.021 3.497 1.00 61.22 N ATOM 1249 CA LEU A 76 -1.572 7.107 3.805 1.00 33.43 C ATOM 1250 C LEU A 76 -1.803 7.996 2.576 1.00 15.24 C ATOM 1251 O LEU A 76 -0.875 8.637 2.075 1.00 75.13 O ATOM 1252 CB LEU A 76 -1.035 7.956 4.965 1.00 64.14 C ATOM 1253 CG LEU A 76 -0.784 7.196 6.279 1.00 54.25 C ATOM 1254 CD1 LEU A 76 -0.182 8.125 7.331 1.00 20.51 C ATOM 1255 CD2 LEU A 76 -2.078 6.567 6.794 1.00 75.04 C ATOM 0 H LEU A 76 0.329 6.327 3.364 1.00 61.22 H new ATOM 0 HA LEU A 76 -2.524 6.661 4.095 1.00 33.43 H new ATOM 0 HB2 LEU A 76 -0.101 8.421 4.650 1.00 64.14 H new ATOM 0 HB3 LEU A 76 -1.742 8.762 5.161 1.00 64.14 H new ATOM 0 HG LEU A 76 -0.071 6.396 6.080 1.00 54.25 H new ATOM 0 HD11 LEU A 76 -0.012 7.569 8.253 1.00 20.51 H new ATOM 0 HD12 LEU A 76 0.765 8.522 6.967 1.00 20.51 H new ATOM 0 HD13 LEU A 76 -0.869 8.948 7.525 1.00 20.51 H new ATOM 0 HD21 LEU A 76 -1.879 6.034 7.724 1.00 75.04 H new ATOM 0 HD22 LEU A 76 -2.816 7.349 6.975 1.00 75.04 H new ATOM 0 HD23 LEU A 76 -2.464 5.869 6.051 1.00 75.04 H new ATOM 1267 N ILE A 77 -3.041 8.023 2.097 1.00 62.54 N ATOM 1268 CA ILE A 77 -3.417 8.839 0.939 1.00 24.35 C ATOM 1269 C ILE A 77 -4.267 10.042 1.377 1.00 40.12 C ATOM 1270 O ILE A 77 -5.387 9.873 1.863 1.00 72.52 O ATOM 1271 CB ILE A 77 -4.211 8.000 -0.093 1.00 22.02 C ATOM 1272 CG1 ILE A 77 -3.405 6.754 -0.507 1.00 13.33 C ATOM 1273 CG2 ILE A 77 -4.569 8.843 -1.318 1.00 75.21 C ATOM 1274 CD1 ILE A 77 -4.170 5.796 -1.398 1.00 2.24 C ATOM 0 H ILE A 77 -3.811 7.485 2.494 1.00 62.54 H new ATOM 0 HA ILE A 77 -2.498 9.197 0.475 1.00 24.35 H new ATOM 0 HB ILE A 77 -5.139 7.671 0.374 1.00 22.02 H new ATOM 0 HG12 ILE A 77 -2.501 7.074 -1.026 1.00 13.33 H new ATOM 0 HG13 ILE A 77 -3.087 6.224 0.391 1.00 13.33 H new ATOM 0 HG21 ILE A 77 -5.126 8.233 -2.029 1.00 75.21 H new ATOM 0 HG22 ILE A 77 -5.181 9.691 -1.010 1.00 75.21 H new ATOM 0 HG23 ILE A 77 -3.656 9.206 -1.789 1.00 75.21 H new ATOM 0 HD11 ILE A 77 -3.536 4.945 -1.646 1.00 2.24 H new ATOM 0 HD12 ILE A 77 -5.060 5.445 -0.876 1.00 2.24 H new ATOM 0 HD13 ILE A 77 -4.465 6.308 -2.314 1.00 2.24 H new ATOM 1286 N LYS A 78 -3.723 11.248 1.216 1.00 4.13 N ATOM 1287 CA LYS A 78 -4.406 12.483 1.632 1.00 2.24 C ATOM 1288 C LYS A 78 -4.971 13.255 0.432 1.00 45.44 C ATOM 1289 O LYS A 78 -4.462 13.144 -0.685 1.00 0.10 O ATOM 1290 CB LYS A 78 -3.435 13.418 2.365 1.00 60.34 C ATOM 1291 CG LYS A 78 -2.627 12.769 3.480 1.00 65.34 C ATOM 1292 CD LYS A 78 -1.675 13.784 4.106 1.00 41.51 C ATOM 1293 CE LYS A 78 -0.642 13.135 5.012 1.00 43.01 C ATOM 1294 NZ LYS A 78 0.328 14.139 5.524 1.00 33.21 N ATOM 0 H LYS A 78 -2.805 11.401 0.798 1.00 4.13 H new ATOM 0 HA LYS A 78 -5.221 12.178 2.288 1.00 2.24 H new ATOM 0 HB2 LYS A 78 -2.744 13.841 1.636 1.00 60.34 H new ATOM 0 HB3 LYS A 78 -4.003 14.248 2.785 1.00 60.34 H new ATOM 0 HG2 LYS A 78 -3.299 12.373 4.242 1.00 65.34 H new ATOM 0 HG3 LYS A 78 -2.061 11.926 3.084 1.00 65.34 H new ATOM 0 HD2 LYS A 78 -1.165 14.334 3.315 1.00 41.51 H new ATOM 0 HD3 LYS A 78 -2.250 14.511 4.679 1.00 41.51 H new ATOM 0 HE2 LYS A 78 -1.143 12.649 5.849 1.00 43.01 H new ATOM 0 HE3 LYS A 78 -0.110 12.358 4.464 1.00 43.01 H new ATOM 0 HZ1 LYS A 78 1.204 13.659 5.813 1.00 33.21 H new ATOM 0 HZ2 LYS A 78 0.542 14.829 4.775 1.00 33.21 H new ATOM 0 HZ3 LYS A 78 -0.083 14.633 6.342 1.00 33.21 H new ATOM 1308 N ASP A 79 -6.017 14.046 0.684 1.00 55.54 N ATOM 1309 CA ASP A 79 -6.528 15.018 -0.293 1.00 41.11 C ATOM 1310 C ASP A 79 -6.857 14.360 -1.649 1.00 32.35 C ATOM 1311 O ASP A 79 -6.849 15.012 -2.693 1.00 43.13 O ATOM 1312 CB ASP A 79 -5.490 16.144 -0.459 1.00 52.12 C ATOM 1313 CG ASP A 79 -6.024 17.341 -1.226 1.00 41.11 C ATOM 1314 OD1 ASP A 79 -6.861 18.084 -0.668 1.00 21.31 O ATOM 1315 OD2 ASP A 79 -5.593 17.558 -2.378 1.00 33.33 O ATOM 0 H ASP A 79 -6.532 14.033 1.564 1.00 55.54 H new ATOM 0 HA ASP A 79 -7.465 15.432 0.080 1.00 41.11 H new ATOM 0 HB2 ASP A 79 -5.157 16.471 0.526 1.00 52.12 H new ATOM 0 HB3 ASP A 79 -4.615 15.750 -0.976 1.00 52.12 H new ATOM 1320 N VAL A 80 -7.178 13.072 -1.620 1.00 54.31 N ATOM 1321 CA VAL A 80 -7.438 12.316 -2.846 1.00 70.01 C ATOM 1322 C VAL A 80 -8.762 12.758 -3.500 1.00 14.11 C ATOM 1323 O VAL A 80 -9.773 12.952 -2.819 1.00 14.13 O ATOM 1324 CB VAL A 80 -7.467 10.788 -2.556 1.00 30.20 C ATOM 1325 CG1 VAL A 80 -8.705 10.397 -1.764 1.00 34.12 C ATOM 1326 CG2 VAL A 80 -7.378 9.975 -3.842 1.00 23.11 C ATOM 0 H VAL A 80 -7.265 12.526 -0.763 1.00 54.31 H new ATOM 0 HA VAL A 80 -6.626 12.524 -3.542 1.00 70.01 H new ATOM 0 HB VAL A 80 -6.590 10.560 -1.950 1.00 30.20 H new ATOM 0 HG11 VAL A 80 -8.694 9.323 -1.578 1.00 34.12 H new ATOM 0 HG12 VAL A 80 -8.712 10.929 -0.813 1.00 34.12 H new ATOM 0 HG13 VAL A 80 -9.598 10.658 -2.332 1.00 34.12 H new ATOM 0 HG21 VAL A 80 -7.401 8.912 -3.603 1.00 23.11 H new ATOM 0 HG22 VAL A 80 -8.222 10.220 -4.487 1.00 23.11 H new ATOM 0 HG23 VAL A 80 -6.447 10.211 -4.358 1.00 23.11 H new ATOM 1336 N ASN A 81 -8.740 12.955 -4.816 1.00 22.03 N ATOM 1337 CA ASN A 81 -9.951 13.310 -5.565 1.00 42.33 C ATOM 1338 C ASN A 81 -10.214 12.294 -6.690 1.00 2.03 C ATOM 1339 O ASN A 81 -9.468 11.327 -6.834 1.00 75.15 O ATOM 1340 CB ASN A 81 -9.851 14.752 -6.097 1.00 23.34 C ATOM 1341 CG ASN A 81 -8.594 15.012 -6.903 1.00 22.53 C ATOM 1342 OD1 ASN A 81 -7.541 15.315 -6.352 1.00 12.13 O ATOM 1343 ND2 ASN A 81 -8.699 14.947 -8.214 1.00 5.31 N ATOM 0 H ASN A 81 -7.900 12.876 -5.389 1.00 22.03 H new ATOM 0 HA ASN A 81 -10.807 13.270 -4.891 1.00 42.33 H new ATOM 0 HB2 ASN A 81 -10.722 14.963 -6.718 1.00 23.34 H new ATOM 0 HB3 ASN A 81 -9.884 15.444 -5.256 1.00 23.34 H new ATOM 0 HD21 ASN A 81 -7.890 15.152 -8.801 1.00 5.31 H new ATOM 0 HD22 ASN A 81 -9.589 14.692 -8.642 1.00 5.31 H new ATOM 1350 N LYS A 82 -11.278 12.507 -7.471 1.00 31.41 N ATOM 1351 CA LYS A 82 -11.703 11.548 -8.511 1.00 55.11 C ATOM 1352 C LYS A 82 -10.536 11.082 -9.406 1.00 34.31 C ATOM 1353 O LYS A 82 -10.412 9.894 -9.715 1.00 42.11 O ATOM 1354 CB LYS A 82 -12.800 12.172 -9.388 1.00 30.32 C ATOM 1355 CG LYS A 82 -14.139 12.391 -8.679 1.00 2.00 C ATOM 1356 CD LYS A 82 -14.789 11.074 -8.246 1.00 53.32 C ATOM 1357 CE LYS A 82 -16.301 11.207 -8.096 1.00 73.43 C ATOM 1358 NZ LYS A 82 -16.957 9.888 -7.859 1.00 21.21 N ATOM 0 H LYS A 82 -11.867 13.337 -7.406 1.00 31.41 H new ATOM 0 HA LYS A 82 -12.088 10.671 -7.991 1.00 55.11 H new ATOM 0 HB2 LYS A 82 -12.443 13.130 -9.765 1.00 30.32 H new ATOM 0 HB3 LYS A 82 -12.963 11.530 -10.253 1.00 30.32 H new ATOM 0 HG2 LYS A 82 -13.985 13.023 -7.804 1.00 2.00 H new ATOM 0 HG3 LYS A 82 -14.816 12.927 -9.344 1.00 2.00 H new ATOM 0 HD2 LYS A 82 -14.564 10.300 -8.980 1.00 53.32 H new ATOM 0 HD3 LYS A 82 -14.357 10.751 -7.299 1.00 53.32 H new ATOM 0 HE2 LYS A 82 -16.525 11.878 -7.267 1.00 73.43 H new ATOM 0 HE3 LYS A 82 -16.716 11.662 -8.995 1.00 73.43 H new ATOM 0 HZ1 LYS A 82 -17.813 10.024 -7.285 1.00 21.21 H new ATOM 0 HZ2 LYS A 82 -17.216 9.460 -8.771 1.00 21.21 H new ATOM 0 HZ3 LYS A 82 -16.299 9.259 -7.356 1.00 21.21 H new ATOM 1372 N LYS A 83 -9.687 12.024 -9.809 1.00 31.14 N ATOM 1373 CA LYS A 83 -8.553 11.737 -10.703 1.00 35.43 C ATOM 1374 C LYS A 83 -7.500 10.817 -10.054 1.00 73.43 C ATOM 1375 O LYS A 83 -6.703 10.185 -10.752 1.00 52.24 O ATOM 1376 CB LYS A 83 -7.892 13.053 -11.137 1.00 35.41 C ATOM 1377 CG LYS A 83 -8.811 13.968 -11.944 1.00 42.42 C ATOM 1378 CD LYS A 83 -9.145 13.380 -13.311 1.00 30.32 C ATOM 1379 CE LYS A 83 -7.909 13.263 -14.202 1.00 22.21 C ATOM 1380 NZ LYS A 83 -7.330 14.596 -14.526 1.00 73.44 N ATOM 0 H LYS A 83 -9.759 13.003 -9.531 1.00 31.14 H new ATOM 0 HA LYS A 83 -8.952 11.208 -11.569 1.00 35.43 H new ATOM 0 HB2 LYS A 83 -7.551 13.587 -10.250 1.00 35.41 H new ATOM 0 HB3 LYS A 83 -7.008 12.825 -11.732 1.00 35.41 H new ATOM 0 HG2 LYS A 83 -9.733 14.138 -11.388 1.00 42.42 H new ATOM 0 HG3 LYS A 83 -8.333 14.939 -12.074 1.00 42.42 H new ATOM 0 HD2 LYS A 83 -9.593 12.395 -13.182 1.00 30.32 H new ATOM 0 HD3 LYS A 83 -9.889 14.007 -13.803 1.00 30.32 H new ATOM 0 HE2 LYS A 83 -7.157 12.653 -13.702 1.00 22.21 H new ATOM 0 HE3 LYS A 83 -8.175 12.748 -15.125 1.00 22.21 H new ATOM 0 HZ1 LYS A 83 -6.615 14.491 -15.274 1.00 73.44 H new ATOM 0 HZ2 LYS A 83 -8.085 15.232 -14.855 1.00 73.44 H new ATOM 0 HZ3 LYS A 83 -6.885 14.997 -13.676 1.00 73.44 H new ATOM 1394 N ASP A 84 -7.488 10.751 -8.725 1.00 45.14 N ATOM 1395 CA ASP A 84 -6.501 9.942 -7.998 1.00 50.21 C ATOM 1396 C ASP A 84 -7.053 8.562 -7.594 1.00 32.23 C ATOM 1397 O ASP A 84 -6.345 7.758 -6.983 1.00 15.32 O ATOM 1398 CB ASP A 84 -6.017 10.691 -6.752 1.00 64.42 C ATOM 1399 CG ASP A 84 -5.409 12.040 -7.086 1.00 34.32 C ATOM 1400 OD1 ASP A 84 -4.197 12.101 -7.382 1.00 33.43 O ATOM 1401 OD2 ASP A 84 -6.137 13.049 -7.054 1.00 20.24 O ATOM 0 H ASP A 84 -8.148 11.246 -8.126 1.00 45.14 H new ATOM 0 HA ASP A 84 -5.665 9.774 -8.677 1.00 50.21 H new ATOM 0 HB2 ASP A 84 -6.854 10.832 -6.069 1.00 64.42 H new ATOM 0 HB3 ASP A 84 -5.279 10.082 -6.230 1.00 64.42 H new ATOM 1406 N ALA A 85 -8.312 8.279 -7.934 1.00 24.33 N ATOM 1407 CA ALA A 85 -8.928 6.998 -7.566 1.00 13.42 C ATOM 1408 C ALA A 85 -8.534 5.878 -8.542 1.00 62.31 C ATOM 1409 O ALA A 85 -8.380 6.104 -9.747 1.00 60.55 O ATOM 1410 CB ALA A 85 -10.445 7.146 -7.523 1.00 62.42 C ATOM 0 H ALA A 85 -8.920 8.909 -8.457 1.00 24.33 H new ATOM 0 HA ALA A 85 -8.560 6.721 -6.578 1.00 13.42 H new ATOM 0 HB1 ALA A 85 -10.896 6.192 -7.249 1.00 62.42 H new ATOM 0 HB2 ALA A 85 -10.716 7.901 -6.785 1.00 62.42 H new ATOM 0 HB3 ALA A 85 -10.809 7.451 -8.504 1.00 62.42 H new ATOM 1416 N GLY A 86 -8.367 4.667 -8.017 1.00 44.20 N ATOM 1417 CA GLY A 86 -7.991 3.541 -8.858 1.00 73.13 C ATOM 1418 C GLY A 86 -7.790 2.241 -8.089 1.00 60.12 C ATOM 1419 O GLY A 86 -8.072 2.157 -6.890 1.00 14.52 O ATOM 0 H GLY A 86 -8.484 4.445 -7.028 1.00 44.20 H new ATOM 0 HA2 GLY A 86 -8.762 3.390 -9.614 1.00 73.13 H new ATOM 0 HA3 GLY A 86 -7.070 3.786 -9.387 1.00 73.13 H new ATOM 1423 N TRP A 87 -7.296 1.222 -8.789 1.00 53.42 N ATOM 1424 CA TRP A 87 -6.868 -0.026 -8.151 1.00 15.04 C ATOM 1425 C TRP A 87 -5.371 0.023 -7.806 1.00 14.13 C ATOM 1426 O TRP A 87 -4.528 0.248 -8.677 1.00 1.20 O ATOM 1427 CB TRP A 87 -7.160 -1.237 -9.054 1.00 52.51 C ATOM 1428 CG TRP A 87 -8.561 -1.763 -8.926 1.00 12.41 C ATOM 1429 CD1 TRP A 87 -9.684 -1.282 -9.530 1.00 42.35 C ATOM 1430 CD2 TRP A 87 -8.979 -2.888 -8.141 1.00 72.13 C ATOM 1431 NE1 TRP A 87 -10.776 -2.031 -9.161 1.00 1.53 N ATOM 1432 CE2 TRP A 87 -10.369 -3.024 -8.312 1.00 52.42 C ATOM 1433 CE3 TRP A 87 -8.310 -3.791 -7.308 1.00 31.44 C ATOM 1434 CZ2 TRP A 87 -11.102 -4.024 -7.682 1.00 25.50 C ATOM 1435 CZ3 TRP A 87 -9.040 -4.786 -6.684 1.00 74.53 C ATOM 1436 CH2 TRP A 87 -10.424 -4.896 -6.874 1.00 63.21 C ATOM 0 H TRP A 87 -7.181 1.234 -9.802 1.00 53.42 H new ATOM 0 HA TRP A 87 -7.437 -0.137 -7.228 1.00 15.04 H new ATOM 0 HB2 TRP A 87 -6.980 -0.957 -10.092 1.00 52.51 H new ATOM 0 HB3 TRP A 87 -6.458 -2.036 -8.814 1.00 52.51 H new ATOM 0 HD1 TRP A 87 -9.712 -0.436 -10.201 1.00 42.35 H new ATOM 0 HE1 TRP A 87 -11.735 -1.872 -9.470 1.00 1.53 H new ATOM 0 HE3 TRP A 87 -7.244 -3.713 -7.155 1.00 31.44 H new ATOM 0 HZ2 TRP A 87 -12.169 -4.109 -7.825 1.00 25.50 H new ATOM 0 HZ3 TRP A 87 -8.535 -5.490 -6.039 1.00 74.53 H new ATOM 0 HH2 TRP A 87 -10.966 -5.684 -6.373 1.00 63.21 H new ATOM 1447 N TYR A 88 -5.056 -0.181 -6.531 1.00 14.44 N ATOM 1448 CA TYR A 88 -3.668 -0.194 -6.058 1.00 40.00 C ATOM 1449 C TYR A 88 -3.113 -1.621 -6.008 1.00 41.24 C ATOM 1450 O TYR A 88 -3.857 -2.585 -5.857 1.00 74.20 O ATOM 1451 CB TYR A 88 -3.566 0.454 -4.672 1.00 53.31 C ATOM 1452 CG TYR A 88 -3.750 1.958 -4.693 1.00 22.21 C ATOM 1453 CD1 TYR A 88 -5.019 2.527 -4.784 1.00 24.21 C ATOM 1454 CD2 TYR A 88 -2.653 2.812 -4.632 1.00 32.24 C ATOM 1455 CE1 TYR A 88 -5.185 3.897 -4.812 1.00 73.01 C ATOM 1456 CE2 TYR A 88 -2.814 4.182 -4.658 1.00 13.11 C ATOM 1457 CZ TYR A 88 -4.080 4.719 -4.750 1.00 24.34 C ATOM 1458 OH TYR A 88 -4.241 6.084 -4.785 1.00 32.20 O ATOM 0 H TYR A 88 -5.747 -0.341 -5.798 1.00 14.44 H new ATOM 0 HA TYR A 88 -3.072 0.382 -6.765 1.00 40.00 H new ATOM 0 HB2 TYR A 88 -4.318 0.013 -4.017 1.00 53.31 H new ATOM 0 HB3 TYR A 88 -2.592 0.221 -4.241 1.00 53.31 H new ATOM 0 HD1 TYR A 88 -5.887 1.886 -4.833 1.00 24.21 H new ATOM 0 HD2 TYR A 88 -1.659 2.395 -4.563 1.00 32.24 H new ATOM 0 HE1 TYR A 88 -6.175 4.323 -4.882 1.00 73.01 H new ATOM 0 HE2 TYR A 88 -1.952 4.831 -4.607 1.00 13.11 H new ATOM 0 HH TYR A 88 -3.364 6.518 -4.731 1.00 32.20 H new ATOM 1468 N THR A 89 -1.803 -1.749 -6.153 1.00 14.03 N ATOM 1469 CA THR A 89 -1.143 -3.060 -6.126 1.00 1.12 C ATOM 1470 C THR A 89 0.175 -2.989 -5.351 1.00 40.32 C ATOM 1471 O THR A 89 1.081 -2.247 -5.731 1.00 63.43 O ATOM 1472 CB THR A 89 -0.856 -3.570 -7.560 1.00 54.23 C ATOM 1473 OG1 THR A 89 -2.069 -3.594 -8.330 1.00 63.53 O ATOM 1474 CG2 THR A 89 -0.241 -4.967 -7.546 1.00 64.03 C ATOM 0 H THR A 89 -1.168 -0.963 -6.291 1.00 14.03 H new ATOM 0 HA THR A 89 -1.821 -3.753 -5.628 1.00 1.12 H new ATOM 0 HB THR A 89 -0.142 -2.883 -8.015 1.00 54.23 H new ATOM 0 HG1 THR A 89 -2.520 -4.455 -8.203 1.00 63.53 H new ATOM 0 HG21 THR A 89 -0.053 -5.292 -8.569 1.00 64.03 H new ATOM 0 HG22 THR A 89 0.699 -4.945 -6.994 1.00 64.03 H new ATOM 0 HG23 THR A 89 -0.929 -5.662 -7.065 1.00 64.03 H new ATOM 1482 N VAL A 90 0.270 -3.754 -4.264 1.00 11.43 N ATOM 1483 CA VAL A 90 1.476 -3.772 -3.428 1.00 32.03 C ATOM 1484 C VAL A 90 2.285 -5.063 -3.632 1.00 70.13 C ATOM 1485 O VAL A 90 1.737 -6.168 -3.617 1.00 52.52 O ATOM 1486 CB VAL A 90 1.132 -3.607 -1.921 1.00 34.33 C ATOM 1487 CG1 VAL A 90 0.179 -4.702 -1.441 1.00 23.31 C ATOM 1488 CG2 VAL A 90 2.407 -3.575 -1.070 1.00 0.11 C ATOM 0 H VAL A 90 -0.474 -4.372 -3.939 1.00 11.43 H new ATOM 0 HA VAL A 90 2.084 -2.923 -3.742 1.00 32.03 H new ATOM 0 HB VAL A 90 0.620 -2.652 -1.801 1.00 34.33 H new ATOM 0 HG11 VAL A 90 -0.040 -4.556 -0.383 1.00 23.31 H new ATOM 0 HG12 VAL A 90 -0.747 -4.655 -2.013 1.00 23.31 H new ATOM 0 HG13 VAL A 90 0.644 -5.677 -1.584 1.00 23.31 H new ATOM 0 HG21 VAL A 90 2.140 -3.459 -0.019 1.00 0.11 H new ATOM 0 HG22 VAL A 90 2.957 -4.506 -1.204 1.00 0.11 H new ATOM 0 HG23 VAL A 90 3.031 -2.737 -1.381 1.00 0.11 H new ATOM 1498 N SER A 91 3.591 -4.910 -3.829 1.00 3.11 N ATOM 1499 CA SER A 91 4.496 -6.055 -4.000 1.00 42.11 C ATOM 1500 C SER A 91 5.640 -6.014 -2.984 1.00 13.52 C ATOM 1501 O SER A 91 6.232 -4.960 -2.747 1.00 60.20 O ATOM 1502 CB SER A 91 5.089 -6.078 -5.417 1.00 65.52 C ATOM 1503 OG SER A 91 4.088 -6.291 -6.401 1.00 43.22 O ATOM 0 H SER A 91 4.053 -4.002 -3.875 1.00 3.11 H new ATOM 0 HA SER A 91 3.906 -6.957 -3.838 1.00 42.11 H new ATOM 0 HB2 SER A 91 5.598 -5.135 -5.614 1.00 65.52 H new ATOM 0 HB3 SER A 91 5.840 -6.865 -5.485 1.00 65.52 H new ATOM 0 HG SER A 91 4.500 -6.298 -7.290 1.00 43.22 H new ATOM 1509 N ALA A 92 5.941 -7.164 -2.388 1.00 51.43 N ATOM 1510 CA ALA A 92 7.076 -7.297 -1.468 1.00 63.05 C ATOM 1511 C ALA A 92 8.035 -8.397 -1.947 1.00 55.23 C ATOM 1512 O ALA A 92 7.674 -9.576 -1.982 1.00 12.11 O ATOM 1513 CB ALA A 92 6.574 -7.598 -0.059 1.00 23.10 C ATOM 0 H ALA A 92 5.413 -8.026 -2.525 1.00 51.43 H new ATOM 0 HA ALA A 92 7.624 -6.355 -1.450 1.00 63.05 H new ATOM 0 HB1 ALA A 92 7.424 -7.695 0.617 1.00 23.10 H new ATOM 0 HB2 ALA A 92 5.932 -6.785 0.280 1.00 23.10 H new ATOM 0 HB3 ALA A 92 6.008 -8.529 -0.066 1.00 23.10 H new ATOM 1519 N VAL A 93 9.259 -8.014 -2.312 1.00 33.22 N ATOM 1520 CA VAL A 93 10.222 -8.965 -2.886 1.00 35.44 C ATOM 1521 C VAL A 93 11.470 -9.171 -2.003 1.00 45.10 C ATOM 1522 O VAL A 93 12.236 -8.242 -1.737 1.00 14.34 O ATOM 1523 CB VAL A 93 10.650 -8.536 -4.317 1.00 63.14 C ATOM 1524 CG1 VAL A 93 11.241 -7.128 -4.322 1.00 70.44 C ATOM 1525 CG2 VAL A 93 11.630 -9.545 -4.922 1.00 42.02 C ATOM 0 H VAL A 93 9.609 -7.060 -2.223 1.00 33.22 H new ATOM 0 HA VAL A 93 9.702 -9.921 -2.937 1.00 35.44 H new ATOM 0 HB VAL A 93 9.755 -8.521 -4.939 1.00 63.14 H new ATOM 0 HG11 VAL A 93 11.530 -6.858 -5.338 1.00 70.44 H new ATOM 0 HG12 VAL A 93 10.497 -6.420 -3.956 1.00 70.44 H new ATOM 0 HG13 VAL A 93 12.118 -7.099 -3.675 1.00 70.44 H new ATOM 0 HG21 VAL A 93 11.914 -9.221 -5.923 1.00 42.02 H new ATOM 0 HG22 VAL A 93 12.520 -9.609 -4.296 1.00 42.02 H new ATOM 0 HG23 VAL A 93 11.155 -10.525 -4.978 1.00 42.02 H new ATOM 1535 N ASN A 94 11.627 -10.399 -1.519 1.00 72.21 N ATOM 1536 CA ASN A 94 12.842 -10.846 -0.828 1.00 30.52 C ATOM 1537 C ASN A 94 13.560 -11.889 -1.710 1.00 43.21 C ATOM 1538 O ASN A 94 12.923 -12.530 -2.548 1.00 13.21 O ATOM 1539 CB ASN A 94 12.453 -11.438 0.543 1.00 40.51 C ATOM 1540 CG ASN A 94 13.635 -11.845 1.412 1.00 32.44 C ATOM 1541 OD1 ASN A 94 14.666 -12.289 0.929 1.00 51.02 O ATOM 1542 ND2 ASN A 94 13.496 -11.688 2.710 1.00 51.22 N ATOM 0 H ASN A 94 10.911 -11.122 -1.594 1.00 72.21 H new ATOM 0 HA ASN A 94 13.522 -10.011 -0.658 1.00 30.52 H new ATOM 0 HB2 ASN A 94 11.855 -10.705 1.085 1.00 40.51 H new ATOM 0 HB3 ASN A 94 11.819 -12.310 0.382 1.00 40.51 H new ATOM 0 HD21 ASN A 94 14.259 -11.939 3.339 1.00 51.22 H new ATOM 0 HD22 ASN A 94 12.625 -11.315 3.088 1.00 51.22 H new ATOM 1549 N GLU A 95 14.870 -12.066 -1.544 1.00 70.33 N ATOM 1550 CA GLU A 95 15.600 -13.071 -2.332 1.00 20.10 C ATOM 1551 C GLU A 95 15.030 -14.480 -2.080 1.00 21.20 C ATOM 1552 O GLU A 95 15.006 -15.324 -2.978 1.00 73.23 O ATOM 1553 CB GLU A 95 17.105 -13.045 -2.011 1.00 1.02 C ATOM 1554 CG GLU A 95 17.451 -13.485 -0.591 1.00 43.44 C ATOM 1555 CD GLU A 95 18.949 -13.644 -0.376 1.00 1.11 C ATOM 1556 OE1 GLU A 95 19.485 -14.736 -0.673 1.00 63.53 O ATOM 1557 OE2 GLU A 95 19.595 -12.683 0.085 1.00 4.11 O ATOM 0 H GLU A 95 15.443 -11.540 -0.885 1.00 70.33 H new ATOM 0 HA GLU A 95 15.470 -12.822 -3.385 1.00 20.10 H new ATOM 0 HB2 GLU A 95 17.627 -13.692 -2.717 1.00 1.02 H new ATOM 0 HB3 GLU A 95 17.481 -12.034 -2.167 1.00 1.02 H new ATOM 0 HG2 GLU A 95 17.062 -12.753 0.117 1.00 43.44 H new ATOM 0 HG3 GLU A 95 16.955 -14.431 -0.377 1.00 43.44 H new ATOM 1564 N ALA A 96 14.561 -14.716 -0.854 1.00 50.12 N ATOM 1565 CA ALA A 96 13.969 -16.003 -0.469 1.00 42.41 C ATOM 1566 C ALA A 96 12.589 -16.237 -1.115 1.00 1.23 C ATOM 1567 O ALA A 96 12.168 -17.381 -1.290 1.00 12.24 O ATOM 1568 CB ALA A 96 13.870 -16.089 1.050 1.00 22.24 C ATOM 0 H ALA A 96 14.579 -14.027 -0.102 1.00 50.12 H new ATOM 0 HA ALA A 96 14.625 -16.790 -0.840 1.00 42.41 H new ATOM 0 HB1 ALA A 96 13.430 -17.045 1.332 1.00 22.24 H new ATOM 0 HB2 ALA A 96 14.866 -16.005 1.485 1.00 22.24 H new ATOM 0 HB3 ALA A 96 13.243 -15.278 1.420 1.00 22.24 H new ATOM 1574 N GLY A 97 11.893 -15.154 -1.470 1.00 40.34 N ATOM 1575 CA GLY A 97 10.560 -15.280 -2.061 1.00 3.05 C ATOM 1576 C GLY A 97 9.884 -13.932 -2.326 1.00 72.13 C ATOM 1577 O GLY A 97 10.354 -12.891 -1.863 1.00 1.41 O ATOM 0 H GLY A 97 12.224 -14.195 -1.361 1.00 40.34 H new ATOM 0 HA2 GLY A 97 10.637 -15.830 -2.999 1.00 3.05 H new ATOM 0 HA3 GLY A 97 9.930 -15.870 -1.396 1.00 3.05 H new ATOM 1581 N VAL A 98 8.770 -13.952 -3.059 1.00 11.01 N ATOM 1582 CA VAL A 98 8.043 -12.722 -3.416 1.00 51.40 C ATOM 1583 C VAL A 98 6.518 -12.895 -3.265 1.00 22.54 C ATOM 1584 O VAL A 98 5.975 -13.975 -3.503 1.00 51.24 O ATOM 1585 CB VAL A 98 8.376 -12.281 -4.869 1.00 74.41 C ATOM 1586 CG1 VAL A 98 7.999 -13.371 -5.876 1.00 11.33 C ATOM 1587 CG2 VAL A 98 7.691 -10.955 -5.211 1.00 25.45 C ATOM 0 H VAL A 98 8.346 -14.807 -3.420 1.00 11.01 H new ATOM 0 HA VAL A 98 8.371 -11.948 -2.723 1.00 51.40 H new ATOM 0 HB VAL A 98 9.453 -12.127 -4.933 1.00 74.41 H new ATOM 0 HG11 VAL A 98 8.243 -13.035 -6.884 1.00 11.33 H new ATOM 0 HG12 VAL A 98 8.555 -14.281 -5.652 1.00 11.33 H new ATOM 0 HG13 VAL A 98 6.930 -13.573 -5.810 1.00 11.33 H new ATOM 0 HG21 VAL A 98 7.941 -10.669 -6.233 1.00 25.45 H new ATOM 0 HG22 VAL A 98 6.611 -11.069 -5.120 1.00 25.45 H new ATOM 0 HG23 VAL A 98 8.033 -10.181 -4.524 1.00 25.45 H new ATOM 1597 N THR A 99 5.833 -11.828 -2.852 1.00 45.03 N ATOM 1598 CA THR A 99 4.368 -11.852 -2.699 1.00 25.33 C ATOM 1599 C THR A 99 3.731 -10.517 -3.119 1.00 15.42 C ATOM 1600 O THR A 99 4.301 -9.447 -2.894 1.00 43.42 O ATOM 1601 CB THR A 99 3.949 -12.194 -1.248 1.00 32.35 C ATOM 1602 OG1 THR A 99 2.517 -12.170 -1.124 1.00 33.11 O ATOM 1603 CG2 THR A 99 4.573 -11.227 -0.245 1.00 41.14 C ATOM 0 H THR A 99 6.264 -10.934 -2.616 1.00 45.03 H new ATOM 0 HA THR A 99 4.002 -12.637 -3.361 1.00 25.33 H new ATOM 0 HB THR A 99 4.314 -13.197 -1.025 1.00 32.35 H new ATOM 0 HG1 THR A 99 2.231 -11.290 -0.800 1.00 33.11 H new ATOM 0 HG21 THR A 99 4.258 -11.496 0.763 1.00 41.14 H new ATOM 0 HG22 THR A 99 5.659 -11.283 -0.313 1.00 41.14 H new ATOM 0 HG23 THR A 99 4.247 -10.211 -0.468 1.00 41.14 H new ATOM 1611 N THR A 100 2.553 -10.590 -3.742 1.00 2.53 N ATOM 1612 CA THR A 100 1.861 -9.395 -4.259 1.00 52.45 C ATOM 1613 C THR A 100 0.351 -9.448 -3.977 1.00 23.51 C ATOM 1614 O THR A 100 -0.279 -10.500 -4.112 1.00 31.34 O ATOM 1615 CB THR A 100 2.070 -9.239 -5.789 1.00 71.34 C ATOM 1616 OG1 THR A 100 3.470 -9.129 -6.091 1.00 71.51 O ATOM 1617 CG2 THR A 100 1.344 -8.013 -6.333 1.00 14.35 C ATOM 0 H THR A 100 2.053 -11.464 -3.904 1.00 2.53 H new ATOM 0 HA THR A 100 2.295 -8.540 -3.740 1.00 52.45 H new ATOM 0 HB THR A 100 1.656 -10.127 -6.266 1.00 71.34 H new ATOM 0 HG1 THR A 100 3.704 -8.186 -6.218 1.00 71.51 H new ATOM 0 HG21 THR A 100 1.513 -7.937 -7.407 1.00 14.35 H new ATOM 0 HG22 THR A 100 0.275 -8.108 -6.140 1.00 14.35 H new ATOM 0 HG23 THR A 100 1.724 -7.117 -5.841 1.00 14.35 H new ATOM 1625 N CYS A 101 -0.229 -8.308 -3.601 1.00 71.54 N ATOM 1626 CA CYS A 101 -1.673 -8.216 -3.321 1.00 13.11 C ATOM 1627 C CYS A 101 -2.280 -6.938 -3.921 1.00 2.44 C ATOM 1628 O CYS A 101 -1.633 -5.890 -3.960 1.00 15.31 O ATOM 1629 CB CYS A 101 -1.927 -8.244 -1.805 1.00 43.24 C ATOM 1630 SG CYS A 101 -3.676 -8.188 -1.335 1.00 54.33 S ATOM 0 H CYS A 101 0.276 -7.430 -3.481 1.00 71.54 H new ATOM 0 HA CYS A 101 -2.154 -9.077 -3.786 1.00 13.11 H new ATOM 0 HB2 CYS A 101 -1.481 -9.149 -1.391 1.00 43.24 H new ATOM 0 HB3 CYS A 101 -1.414 -7.398 -1.348 1.00 43.24 H new ATOM 0 HG CYS A 101 -4.264 -7.216 -1.967 1.00 54.33 H new ATOM 1636 N ASN A 102 -3.527 -7.025 -4.389 1.00 42.25 N ATOM 1637 CA ASN A 102 -4.223 -5.867 -4.971 1.00 4.42 C ATOM 1638 C ASN A 102 -5.204 -5.230 -3.965 1.00 53.40 C ATOM 1639 O ASN A 102 -5.667 -5.882 -3.026 1.00 51.00 O ATOM 1640 CB ASN A 102 -4.970 -6.280 -6.246 1.00 52.24 C ATOM 1641 CG ASN A 102 -4.037 -6.839 -7.309 1.00 53.12 C ATOM 1642 OD1 ASN A 102 -3.502 -5.977 -8.150 1.00 34.22 O flip ATOM 1643 ND2 ASN A 102 -3.795 -8.040 -7.375 1.00 50.13 N flip ATOM 0 H ASN A 102 -4.078 -7.883 -4.378 1.00 42.25 H new ATOM 0 HA ASN A 102 -3.469 -5.121 -5.222 1.00 4.42 H new ATOM 0 HB2 ASN A 102 -5.722 -7.028 -5.997 1.00 52.24 H new ATOM 0 HB3 ASN A 102 -5.500 -5.417 -6.649 1.00 52.24 H new ATOM 0 HD21 ASN A 102 -4.224 -8.684 -6.710 1.00 50.13 H new ATOM 0 HD22 ASN A 102 -3.165 -8.395 -8.095 1.00 50.13 H new ATOM 1650 N THR A 103 -5.502 -3.946 -4.163 1.00 4.32 N ATOM 1651 CA THR A 103 -6.395 -3.185 -3.271 1.00 34.22 C ATOM 1652 C THR A 103 -7.247 -2.187 -4.073 1.00 24.42 C ATOM 1653 O THR A 103 -6.794 -1.653 -5.081 1.00 4.13 O ATOM 1654 CB THR A 103 -5.582 -2.405 -2.204 1.00 23.30 C ATOM 1655 OG1 THR A 103 -4.745 -3.306 -1.465 1.00 52.23 O ATOM 1656 CG2 THR A 103 -6.497 -1.658 -1.235 1.00 44.02 C ATOM 0 H THR A 103 -5.135 -3.400 -4.942 1.00 4.32 H new ATOM 0 HA THR A 103 -7.047 -3.904 -2.774 1.00 34.22 H new ATOM 0 HB THR A 103 -4.968 -1.674 -2.730 1.00 23.30 H new ATOM 0 HG1 THR A 103 -4.235 -2.804 -0.795 1.00 52.23 H new ATOM 0 HG21 THR A 103 -5.892 -1.124 -0.502 1.00 44.02 H new ATOM 0 HG22 THR A 103 -7.110 -0.946 -1.788 1.00 44.02 H new ATOM 0 HG23 THR A 103 -7.143 -2.371 -0.722 1.00 44.02 H new ATOM 1664 N ARG A 104 -8.476 -1.933 -3.630 1.00 51.24 N ATOM 1665 CA ARG A 104 -9.365 -0.986 -4.324 1.00 42.14 C ATOM 1666 C ARG A 104 -9.627 0.287 -3.495 1.00 42.23 C ATOM 1667 O ARG A 104 -9.819 0.225 -2.279 1.00 34.14 O ATOM 1668 CB ARG A 104 -10.699 -1.665 -4.665 1.00 23.40 C ATOM 1669 CG ARG A 104 -11.722 -0.718 -5.291 1.00 54.05 C ATOM 1670 CD ARG A 104 -13.021 -1.424 -5.666 1.00 4.45 C ATOM 1671 NE ARG A 104 -14.047 -0.468 -6.071 1.00 44.14 N ATOM 1672 CZ ARG A 104 -15.149 -0.777 -6.690 1.00 32.43 C ATOM 1673 NH1 ARG A 104 -15.407 -2.003 -7.015 1.00 53.21 N ATOM 1674 NH2 ARG A 104 -15.999 0.153 -6.982 1.00 61.11 N ATOM 0 H ARG A 104 -8.883 -2.363 -2.800 1.00 51.24 H new ATOM 0 HA ARG A 104 -8.858 -0.684 -5.240 1.00 42.14 H new ATOM 0 HB2 ARG A 104 -10.512 -2.491 -5.352 1.00 23.40 H new ATOM 0 HB3 ARG A 104 -11.122 -2.095 -3.757 1.00 23.40 H new ATOM 0 HG2 ARG A 104 -11.940 0.089 -4.592 1.00 54.05 H new ATOM 0 HG3 ARG A 104 -11.291 -0.261 -6.182 1.00 54.05 H new ATOM 0 HD2 ARG A 104 -12.834 -2.126 -6.479 1.00 4.45 H new ATOM 0 HD3 ARG A 104 -13.379 -2.007 -4.817 1.00 4.45 H new ATOM 0 HE ARG A 104 -13.888 0.516 -5.852 1.00 44.14 H new ATOM 0 HH11 ARG A 104 -14.742 -2.742 -6.786 1.00 53.21 H new ATOM 0 HH12 ARG A 104 -16.275 -2.230 -7.500 1.00 53.21 H new ATOM 0 HH21 ARG A 104 -15.803 1.121 -6.727 1.00 61.11 H new ATOM 0 HH22 ARG A 104 -16.865 -0.082 -7.467 1.00 61.11 H new ATOM 1688 N LEU A 105 -9.640 1.440 -4.171 1.00 42.31 N ATOM 1689 CA LEU A 105 -9.969 2.723 -3.536 1.00 41.42 C ATOM 1690 C LEU A 105 -10.989 3.510 -4.378 1.00 21.32 C ATOM 1691 O LEU A 105 -10.756 3.786 -5.557 1.00 32.50 O ATOM 1692 CB LEU A 105 -8.700 3.568 -3.341 1.00 13.13 C ATOM 1693 CG LEU A 105 -8.929 4.964 -2.730 1.00 3.41 C ATOM 1694 CD1 LEU A 105 -9.518 4.856 -1.326 1.00 24.11 C ATOM 1695 CD2 LEU A 105 -7.634 5.771 -2.714 1.00 64.34 C ATOM 0 H LEU A 105 -9.425 1.512 -5.165 1.00 42.31 H new ATOM 0 HA LEU A 105 -10.411 2.509 -2.563 1.00 41.42 H new ATOM 0 HB2 LEU A 105 -8.011 3.017 -2.701 1.00 13.13 H new ATOM 0 HB3 LEU A 105 -8.210 3.688 -4.307 1.00 13.13 H new ATOM 0 HG LEU A 105 -9.648 5.491 -3.358 1.00 3.41 H new ATOM 0 HD11 LEU A 105 -9.670 5.855 -0.917 1.00 24.11 H new ATOM 0 HD12 LEU A 105 -10.473 4.333 -1.371 1.00 24.11 H new ATOM 0 HD13 LEU A 105 -8.832 4.302 -0.685 1.00 24.11 H new ATOM 0 HD21 LEU A 105 -7.822 6.752 -2.278 1.00 64.34 H new ATOM 0 HD22 LEU A 105 -6.886 5.247 -2.119 1.00 64.34 H new ATOM 0 HD23 LEU A 105 -7.268 5.891 -3.733 1.00 64.34 H new ATOM 1707 N ASP A 106 -12.114 3.871 -3.766 1.00 10.44 N ATOM 1708 CA ASP A 106 -13.151 4.661 -4.439 1.00 2.31 C ATOM 1709 C ASP A 106 -13.206 6.093 -3.881 1.00 25.00 C ATOM 1710 O ASP A 106 -12.980 6.317 -2.690 1.00 4.41 O ATOM 1711 CB ASP A 106 -14.520 3.987 -4.272 1.00 41.11 C ATOM 1712 CG ASP A 106 -14.597 2.640 -4.965 1.00 74.15 C ATOM 1713 OD1 ASP A 106 -14.819 2.604 -6.195 1.00 52.21 O ATOM 1714 OD2 ASP A 106 -14.444 1.606 -4.285 1.00 53.14 O ATOM 0 H ASP A 106 -12.335 3.629 -2.800 1.00 10.44 H new ATOM 0 HA ASP A 106 -12.900 4.714 -5.498 1.00 2.31 H new ATOM 0 HB2 ASP A 106 -14.730 3.857 -3.210 1.00 41.11 H new ATOM 0 HB3 ASP A 106 -15.294 4.642 -4.672 1.00 41.11 H new ATOM 1719 N VAL A 107 -13.508 7.058 -4.748 1.00 43.12 N ATOM 1720 CA VAL A 107 -13.607 8.466 -4.344 1.00 40.45 C ATOM 1721 C VAL A 107 -14.901 9.107 -4.871 1.00 32.42 C ATOM 1722 O VAL A 107 -15.331 8.840 -5.994 1.00 12.12 O ATOM 1723 CB VAL A 107 -12.385 9.291 -4.831 1.00 3.01 C ATOM 1724 CG1 VAL A 107 -12.508 10.752 -4.401 1.00 1.12 C ATOM 1725 CG2 VAL A 107 -11.078 8.689 -4.314 1.00 34.41 C ATOM 0 H VAL A 107 -13.689 6.893 -5.738 1.00 43.12 H new ATOM 0 HA VAL A 107 -13.622 8.479 -3.254 1.00 40.45 H new ATOM 0 HB VAL A 107 -12.370 9.255 -5.920 1.00 3.01 H new ATOM 0 HG11 VAL A 107 -11.640 11.309 -4.754 1.00 1.12 H new ATOM 0 HG12 VAL A 107 -13.414 11.182 -4.828 1.00 1.12 H new ATOM 0 HG13 VAL A 107 -12.558 10.808 -3.314 1.00 1.12 H new ATOM 0 HG21 VAL A 107 -10.237 9.285 -4.669 1.00 34.41 H new ATOM 0 HG22 VAL A 107 -11.085 8.685 -3.224 1.00 34.41 H new ATOM 0 HG23 VAL A 107 -10.978 7.667 -4.680 1.00 34.41 H new ATOM 1735 N THR A 108 -15.511 9.954 -4.050 1.00 32.23 N ATOM 1736 CA THR A 108 -16.768 10.634 -4.396 1.00 1.44 C ATOM 1737 C THR A 108 -16.660 12.145 -4.132 1.00 40.33 C ATOM 1738 O THR A 108 -15.955 12.572 -3.221 1.00 11.10 O ATOM 1739 CB THR A 108 -17.954 10.047 -3.590 1.00 34.22 C ATOM 1740 OG1 THR A 108 -18.100 8.651 -3.884 1.00 64.43 O ATOM 1741 CG2 THR A 108 -19.266 10.767 -3.897 1.00 72.22 C ATOM 0 H THR A 108 -15.154 10.193 -3.125 1.00 32.23 H new ATOM 0 HA THR A 108 -16.951 10.472 -5.458 1.00 1.44 H new ATOM 0 HB THR A 108 -17.731 10.188 -2.532 1.00 34.22 H new ATOM 0 HG1 THR A 108 -18.850 8.285 -3.370 1.00 64.43 H new ATOM 0 HG21 THR A 108 -20.070 10.323 -3.310 1.00 72.22 H new ATOM 0 HG22 THR A 108 -19.170 11.822 -3.642 1.00 72.22 H new ATOM 0 HG23 THR A 108 -19.495 10.670 -4.958 1.00 72.22 H new ATOM 1749 N ALA A 109 -17.363 12.952 -4.922 1.00 52.42 N ATOM 1750 CA ALA A 109 -17.256 14.412 -4.819 1.00 22.44 C ATOM 1751 C ALA A 109 -17.974 14.957 -3.573 1.00 4.12 C ATOM 1752 O ALA A 109 -19.064 14.502 -3.223 1.00 12.15 O ATOM 1753 CB ALA A 109 -17.824 15.061 -6.078 1.00 52.50 C ATOM 0 H ALA A 109 -18.011 12.626 -5.639 1.00 52.42 H new ATOM 0 HA ALA A 109 -16.199 14.661 -4.721 1.00 22.44 H new ATOM 0 HB1 ALA A 109 -17.742 16.145 -5.997 1.00 52.50 H new ATOM 0 HB2 ALA A 109 -17.264 14.719 -6.948 1.00 52.50 H new ATOM 0 HB3 ALA A 109 -18.872 14.783 -6.189 1.00 52.50 H new