USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 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 USER MOD Set 1.2: A 102 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.455 USER MOD Set 2.2: A 100 THR OG1 : rot -101:sc= 0.498 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 57 GLN : amide:sc= -1.85! K(o=-4.2!,f=-0.95) USER MOD Set 4.2: A 59 ASN : amide:sc= -2.31! K(o=-4.2!,f=-0.95) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 169:sc= 0 (180deg=-0.177) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.9!) USER MOD Single : A 24 SER OG : rot 35:sc= 0.118 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+ -116:sc= 1.12 (180deg=0.469) USER MOD Single : A 37 CYS SG : rot -140:sc= -0.447 USER MOD Single : A 38 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.51) 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+ -116:sc= -0.259 (180deg=-1.84!) USER MOD Single : A 52 ASN : amide:sc= -0.201 K(o=-0.2,f=-0.89) USER MOD Single : A 53 ASN : amide:sc= -0.0087 K(o=-0.0087,f=-0.92) USER MOD Single : A 55 MET CE :methyl -151:sc= -1.38 (180deg=-2.81!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.8) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -37:sc= 0.54 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc=-0.00821 (180deg=-0.148) USER MOD Single : A 81 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ -140:sc= 1.29 (180deg=0.546) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.85! C(o=-2.8!,f=-7.4!) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.61 USER MOD Single : A 101 CYS SG : rot -170:sc= -0.505 USER MOD Single : A 103 THR OG1 : rot 110:sc= -1.32 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.731 -16.349 6.933 1.00 61.41 N ATOM 198 CA LYS A 13 16.026 -15.964 5.708 1.00 4.12 C ATOM 199 C LYS A 13 14.588 -16.513 5.714 1.00 32.34 C ATOM 200 O LYS A 13 14.368 -17.723 5.804 1.00 4.53 O ATOM 201 CB LYS A 13 16.793 -16.452 4.469 1.00 3.14 C ATOM 202 CG LYS A 13 18.236 -15.947 4.416 1.00 51.53 C ATOM 203 CD LYS A 13 18.931 -16.305 3.102 1.00 71.45 C ATOM 204 CE LYS A 13 18.322 -15.568 1.913 1.00 21.43 C ATOM 205 NZ LYS A 13 19.101 -15.788 0.667 1.00 32.12 N ATOM 0 HA LYS A 13 15.972 -14.876 5.669 1.00 4.12 H new ATOM 0 HB2 LYS A 13 16.796 -17.542 4.457 1.00 3.14 H new ATOM 0 HB3 LYS A 13 16.267 -16.125 3.572 1.00 3.14 H new ATOM 0 HG2 LYS A 13 18.244 -14.865 4.545 1.00 51.53 H new ATOM 0 HG3 LYS A 13 18.797 -16.372 5.248 1.00 51.53 H new ATOM 0 HD2 LYS A 13 19.991 -16.062 3.175 1.00 71.45 H new ATOM 0 HD3 LYS A 13 18.861 -17.380 2.936 1.00 71.45 H new ATOM 0 HE2 LYS A 13 17.296 -15.905 1.764 1.00 21.43 H new ATOM 0 HE3 LYS A 13 18.279 -14.501 2.131 1.00 21.43 H new ATOM 0 HZ1 LYS A 13 18.655 -15.271 -0.117 1.00 32.12 H new ATOM 0 HZ2 LYS A 13 20.073 -15.444 0.800 1.00 32.12 H new ATOM 0 HZ3 LYS A 13 19.121 -16.804 0.445 1.00 32.12 H new ATOM 219 N ARG A 14 13.622 -15.608 5.617 1.00 2.12 N ATOM 220 CA ARG A 14 12.197 -15.946 5.692 1.00 33.31 C ATOM 221 C ARG A 14 11.415 -15.228 4.583 1.00 71.55 C ATOM 222 O ARG A 14 11.409 -13.995 4.518 1.00 45.24 O ATOM 223 CB ARG A 14 11.652 -15.550 7.076 1.00 22.12 C ATOM 224 CG ARG A 14 10.133 -15.650 7.235 1.00 22.22 C ATOM 225 CD ARG A 14 9.619 -17.081 7.127 1.00 22.42 C ATOM 226 NE ARG A 14 8.178 -17.154 7.383 1.00 64.10 N ATOM 227 CZ ARG A 14 7.338 -17.868 6.685 1.00 35.54 C ATOM 228 NH1 ARG A 14 7.749 -18.583 5.689 1.00 24.22 N ATOM 229 NH2 ARG A 14 6.081 -17.861 6.984 1.00 24.04 N ATOM 0 H ARG A 14 13.801 -14.613 5.483 1.00 2.12 H new ATOM 0 HA ARG A 14 12.075 -17.020 5.551 1.00 33.31 H new ATOM 0 HB2 ARG A 14 12.122 -16.184 7.828 1.00 22.12 H new ATOM 0 HB3 ARG A 14 11.956 -14.525 7.288 1.00 22.12 H new ATOM 0 HG2 ARG A 14 9.846 -15.238 8.203 1.00 22.22 H new ATOM 0 HG3 ARG A 14 9.652 -15.038 6.472 1.00 22.22 H new ATOM 0 HD2 ARG A 14 9.833 -17.472 6.132 1.00 22.42 H new ATOM 0 HD3 ARG A 14 10.149 -17.714 7.839 1.00 22.42 H new ATOM 0 HE ARG A 14 7.806 -16.609 8.161 1.00 64.10 H new ATOM 0 HH11 ARG A 14 8.739 -18.593 5.442 1.00 24.22 H new ATOM 0 HH12 ARG A 14 7.084 -19.137 5.150 1.00 24.22 H new ATOM 0 HH21 ARG A 14 5.746 -17.297 7.765 1.00 24.04 H new ATOM 0 HH22 ARG A 14 5.424 -18.419 6.439 1.00 24.04 H new ATOM 243 N ALA A 15 10.769 -15.999 3.710 1.00 51.25 N ATOM 244 CA ALA A 15 9.998 -15.433 2.596 1.00 32.13 C ATOM 245 C ALA A 15 8.778 -14.636 3.092 1.00 70.41 C ATOM 246 O ALA A 15 8.079 -15.068 4.011 1.00 41.01 O ATOM 247 CB ALA A 15 9.560 -16.540 1.648 1.00 53.42 C ATOM 0 H ALA A 15 10.762 -17.018 3.750 1.00 51.25 H new ATOM 0 HA ALA A 15 10.646 -14.738 2.061 1.00 32.13 H new ATOM 0 HB1 ALA A 15 8.989 -16.110 0.825 1.00 53.42 H new ATOM 0 HB2 ALA A 15 10.439 -17.049 1.252 1.00 53.42 H new ATOM 0 HB3 ALA A 15 8.938 -17.255 2.186 1.00 53.42 H new ATOM 253 N PRO A 16 8.503 -13.462 2.484 1.00 65.14 N ATOM 254 CA PRO A 16 7.396 -12.585 2.909 1.00 64.43 C ATOM 255 C PRO A 16 6.010 -13.242 2.774 1.00 61.52 C ATOM 256 O PRO A 16 5.640 -13.739 1.706 1.00 15.43 O ATOM 257 CB PRO A 16 7.522 -11.368 1.972 1.00 63.42 C ATOM 258 CG PRO A 16 8.299 -11.865 0.799 1.00 73.41 C ATOM 259 CD PRO A 16 9.248 -12.894 1.346 1.00 20.21 C ATOM 0 HA PRO A 16 7.469 -12.336 3.968 1.00 64.43 H new ATOM 0 HB2 PRO A 16 6.542 -10.999 1.669 1.00 63.42 H new ATOM 0 HB3 PRO A 16 8.035 -10.542 2.464 1.00 63.42 H new ATOM 0 HG2 PRO A 16 7.639 -12.301 0.049 1.00 73.41 H new ATOM 0 HG3 PRO A 16 8.840 -11.052 0.315 1.00 73.41 H new ATOM 0 HD2 PRO A 16 9.491 -13.654 0.603 1.00 20.21 H new ATOM 0 HD3 PRO A 16 10.190 -12.446 1.663 1.00 20.21 H new ATOM 267 N MET A 17 5.251 -13.237 3.871 1.00 74.13 N ATOM 268 CA MET A 17 3.892 -13.796 3.896 1.00 53.40 C ATOM 269 C MET A 17 2.847 -12.733 4.280 1.00 44.00 C ATOM 270 O MET A 17 2.954 -12.097 5.332 1.00 22.35 O ATOM 271 CB MET A 17 3.833 -14.972 4.888 1.00 22.40 C ATOM 272 CG MET A 17 2.421 -15.477 5.171 1.00 23.53 C ATOM 273 SD MET A 17 1.536 -15.949 3.671 1.00 33.10 S ATOM 274 CE MET A 17 -0.067 -16.390 4.339 1.00 42.34 C ATOM 0 H MET A 17 5.556 -12.849 4.764 1.00 74.13 H new ATOM 0 HA MET A 17 3.654 -14.148 2.892 1.00 53.40 H new ATOM 0 HB2 MET A 17 4.430 -15.795 4.495 1.00 22.40 H new ATOM 0 HB3 MET A 17 4.293 -14.665 5.827 1.00 22.40 H new ATOM 0 HG2 MET A 17 2.474 -16.335 5.842 1.00 23.53 H new ATOM 0 HG3 MET A 17 1.859 -14.701 5.690 1.00 23.53 H new ATOM 0 HE1 MET A 17 -0.779 -16.514 3.523 1.00 42.34 H new ATOM 0 HE2 MET A 17 0.015 -17.324 4.895 1.00 42.34 H new ATOM 0 HE3 MET A 17 -0.413 -15.600 5.006 1.00 42.34 H new ATOM 284 N PHE A 18 1.839 -12.541 3.421 1.00 14.42 N ATOM 285 CA PHE A 18 0.710 -11.652 3.731 1.00 24.50 C ATOM 286 C PHE A 18 -0.268 -12.326 4.705 1.00 1.02 C ATOM 287 O PHE A 18 -1.033 -13.212 4.318 1.00 11.13 O ATOM 288 CB PHE A 18 -0.055 -11.259 2.452 1.00 13.33 C ATOM 289 CG PHE A 18 0.498 -10.061 1.721 1.00 34.23 C ATOM 290 CD1 PHE A 18 0.127 -8.776 2.092 1.00 0.01 C ATOM 291 CD2 PHE A 18 1.366 -10.217 0.653 1.00 10.33 C ATOM 292 CE1 PHE A 18 0.613 -7.675 1.414 1.00 62.41 C ATOM 293 CE2 PHE A 18 1.856 -9.116 -0.026 1.00 25.24 C ATOM 294 CZ PHE A 18 1.479 -7.846 0.355 1.00 3.35 C ATOM 0 H PHE A 18 1.781 -12.988 2.506 1.00 14.42 H new ATOM 0 HA PHE A 18 1.125 -10.756 4.193 1.00 24.50 H new ATOM 0 HB2 PHE A 18 -0.058 -12.111 1.772 1.00 13.33 H new ATOM 0 HB3 PHE A 18 -1.093 -11.058 2.715 1.00 13.33 H new ATOM 0 HD1 PHE A 18 -0.550 -8.635 2.921 1.00 0.01 H new ATOM 0 HD2 PHE A 18 1.663 -11.209 0.347 1.00 10.33 H new ATOM 0 HE1 PHE A 18 0.315 -6.681 1.713 1.00 62.41 H new ATOM 0 HE2 PHE A 18 2.534 -9.251 -0.855 1.00 25.24 H new ATOM 0 HZ PHE A 18 1.861 -6.986 -0.175 1.00 3.35 H new ATOM 304 N ILE A 19 -0.243 -11.902 5.965 1.00 73.22 N ATOM 305 CA ILE A 19 -1.182 -12.411 6.975 1.00 24.14 C ATOM 306 C ILE A 19 -2.574 -11.776 6.792 1.00 62.34 C ATOM 307 O ILE A 19 -3.605 -12.403 7.051 1.00 52.14 O ATOM 308 CB ILE A 19 -0.668 -12.125 8.412 1.00 3.34 C ATOM 309 CG1 ILE A 19 0.782 -12.623 8.575 1.00 41.50 C ATOM 310 CG2 ILE A 19 -1.579 -12.780 9.454 1.00 53.31 C ATOM 311 CD1 ILE A 19 1.384 -12.326 9.937 1.00 20.11 C ATOM 0 H ILE A 19 0.415 -11.207 6.317 1.00 73.22 H new ATOM 0 HA ILE A 19 -1.258 -13.490 6.838 1.00 24.14 H new ATOM 0 HB ILE A 19 -0.685 -11.047 8.573 1.00 3.34 H new ATOM 0 HG12 ILE A 19 0.808 -13.699 8.404 1.00 41.50 H new ATOM 0 HG13 ILE A 19 1.403 -12.163 7.806 1.00 41.50 H new ATOM 0 HG21 ILE A 19 -1.200 -12.567 10.454 1.00 53.31 H new ATOM 0 HG22 ILE A 19 -2.589 -12.382 9.356 1.00 53.31 H new ATOM 0 HG23 ILE A 19 -1.597 -13.858 9.295 1.00 53.31 H new ATOM 0 HD11 ILE A 19 2.405 -12.707 9.974 1.00 20.11 H new ATOM 0 HD12 ILE A 19 1.392 -11.249 10.104 1.00 20.11 H new ATOM 0 HD13 ILE A 19 0.788 -12.809 10.711 1.00 20.11 H new ATOM 323 N TYR A 20 -2.586 -10.522 6.342 1.00 73.55 N ATOM 324 CA TYR A 20 -3.829 -9.788 6.060 1.00 5.54 C ATOM 325 C TYR A 20 -3.720 -9.030 4.732 1.00 23.34 C ATOM 326 O TYR A 20 -2.639 -8.574 4.359 1.00 30.11 O ATOM 327 CB TYR A 20 -4.134 -8.771 7.170 1.00 33.44 C ATOM 328 CG TYR A 20 -4.328 -9.371 8.550 1.00 61.04 C ATOM 329 CD1 TYR A 20 -5.561 -9.879 8.945 1.00 14.51 C ATOM 330 CD2 TYR A 20 -3.281 -9.412 9.461 1.00 31.35 C ATOM 331 CE1 TYR A 20 -5.742 -10.405 10.209 1.00 11.20 C ATOM 332 CE2 TYR A 20 -3.453 -9.937 10.723 1.00 43.31 C ATOM 333 CZ TYR A 20 -4.684 -10.432 11.094 1.00 44.11 C ATOM 334 OH TYR A 20 -4.860 -10.947 12.362 1.00 41.23 O ATOM 0 H TYR A 20 -1.739 -9.983 6.161 1.00 73.55 H new ATOM 0 HA TYR A 20 -4.632 -10.523 6.006 1.00 5.54 H new ATOM 0 HB2 TYR A 20 -3.319 -8.049 7.215 1.00 33.44 H new ATOM 0 HB3 TYR A 20 -5.034 -8.219 6.900 1.00 33.44 H new ATOM 0 HD1 TYR A 20 -6.390 -9.862 8.253 1.00 14.51 H new ATOM 0 HD2 TYR A 20 -2.314 -9.025 9.175 1.00 31.35 H new ATOM 0 HE1 TYR A 20 -6.706 -10.793 10.503 1.00 11.20 H new ATOM 0 HE2 TYR A 20 -2.627 -9.960 11.418 1.00 43.31 H new ATOM 0 HH TYR A 20 -4.016 -10.892 12.857 1.00 41.23 H new ATOM 344 N LYS A 21 -4.838 -8.896 4.026 1.00 50.14 N ATOM 345 CA LYS A 21 -4.894 -8.069 2.816 1.00 21.41 C ATOM 346 C LYS A 21 -5.504 -6.691 3.134 1.00 5.34 C ATOM 347 O LYS A 21 -6.375 -6.578 4.001 1.00 74.20 O ATOM 348 CB LYS A 21 -5.713 -8.762 1.712 1.00 33.23 C ATOM 349 CG LYS A 21 -7.179 -9.002 2.074 1.00 70.42 C ATOM 350 CD LYS A 21 -7.996 -9.458 0.865 1.00 62.40 C ATOM 351 CE LYS A 21 -7.472 -10.765 0.280 1.00 53.54 C ATOM 352 NZ LYS A 21 -8.213 -11.159 -0.945 1.00 52.15 N ATOM 0 H LYS A 21 -5.720 -9.348 4.267 1.00 50.14 H new ATOM 0 HA LYS A 21 -3.874 -7.932 2.456 1.00 21.41 H new ATOM 0 HB2 LYS A 21 -5.669 -8.155 0.808 1.00 33.23 H new ATOM 0 HB3 LYS A 21 -5.247 -9.719 1.477 1.00 33.23 H new ATOM 0 HG2 LYS A 21 -7.241 -9.755 2.859 1.00 70.42 H new ATOM 0 HG3 LYS A 21 -7.608 -8.085 2.478 1.00 70.42 H new ATOM 0 HD2 LYS A 21 -9.038 -9.585 1.159 1.00 62.40 H new ATOM 0 HD3 LYS A 21 -7.973 -8.683 0.099 1.00 62.40 H new ATOM 0 HE2 LYS A 21 -6.413 -10.659 0.045 1.00 53.54 H new ATOM 0 HE3 LYS A 21 -7.556 -11.556 1.025 1.00 53.54 H new ATOM 0 HZ1 LYS A 21 -7.827 -12.052 -1.312 1.00 52.15 H new ATOM 0 HZ2 LYS A 21 -9.220 -11.285 -0.716 1.00 52.15 H new ATOM 0 HZ3 LYS A 21 -8.112 -10.416 -1.666 1.00 52.15 H new ATOM 366 N PRO A 22 -5.060 -5.623 2.446 1.00 40.23 N ATOM 367 CA PRO A 22 -5.652 -4.294 2.610 1.00 31.14 C ATOM 368 C PRO A 22 -7.009 -4.198 1.897 1.00 52.31 C ATOM 369 O PRO A 22 -7.107 -4.436 0.692 1.00 62.03 O ATOM 370 CB PRO A 22 -4.625 -3.336 1.977 1.00 31.15 C ATOM 371 CG PRO A 22 -3.507 -4.189 1.452 1.00 52.44 C ATOM 372 CD PRO A 22 -3.977 -5.622 1.456 1.00 4.22 C ATOM 0 HA PRO A 22 -5.851 -4.057 3.655 1.00 31.14 H new ATOM 0 HB2 PRO A 22 -5.080 -2.757 1.174 1.00 31.15 H new ATOM 0 HB3 PRO A 22 -4.255 -2.623 2.714 1.00 31.15 H new ATOM 0 HG2 PRO A 22 -3.233 -3.880 0.443 1.00 52.44 H new ATOM 0 HG3 PRO A 22 -2.618 -4.077 2.073 1.00 52.44 H new ATOM 0 HD2 PRO A 22 -4.331 -5.931 0.473 1.00 4.22 H new ATOM 0 HD3 PRO A 22 -3.176 -6.307 1.736 1.00 4.22 H new ATOM 380 N GLN A 23 -8.054 -3.843 2.640 1.00 62.05 N ATOM 381 CA GLN A 23 -9.418 -3.869 2.108 1.00 12.22 C ATOM 382 C GLN A 23 -9.828 -2.523 1.493 1.00 60.44 C ATOM 383 O GLN A 23 -9.429 -1.458 1.965 1.00 35.24 O ATOM 384 CB GLN A 23 -10.410 -4.273 3.211 1.00 30.12 C ATOM 385 CG GLN A 23 -10.167 -5.671 3.787 1.00 73.15 C ATOM 386 CD GLN A 23 -10.422 -6.797 2.790 1.00 24.42 C ATOM 387 OE1 GLN A 23 -10.246 -6.642 1.586 1.00 73.50 O ATOM 388 NE2 GLN A 23 -10.841 -7.943 3.284 1.00 42.32 N ATOM 0 H GLN A 23 -7.985 -3.534 3.610 1.00 62.05 H new ATOM 0 HA GLN A 23 -9.441 -4.610 1.309 1.00 12.22 H new ATOM 0 HB2 GLN A 23 -10.355 -3.544 4.019 1.00 30.12 H new ATOM 0 HB3 GLN A 23 -11.422 -4.228 2.809 1.00 30.12 H new ATOM 0 HG2 GLN A 23 -9.137 -5.735 4.139 1.00 73.15 H new ATOM 0 HG3 GLN A 23 -10.810 -5.814 4.655 1.00 73.15 H new ATOM 0 HE21 GLN A 23 -10.979 -8.045 4.289 1.00 42.32 H new ATOM 0 HE22 GLN A 23 -11.027 -8.729 2.661 1.00 42.32 H new ATOM 397 N SER A 24 -10.634 -2.592 0.435 1.00 30.12 N ATOM 398 CA SER A 24 -11.052 -1.403 -0.318 1.00 53.11 C ATOM 399 C SER A 24 -11.926 -0.455 0.517 1.00 12.50 C ATOM 400 O SER A 24 -12.947 -0.859 1.078 1.00 71.12 O ATOM 401 CB SER A 24 -11.811 -1.822 -1.586 1.00 4.10 C ATOM 402 OG SER A 24 -12.957 -2.610 -1.279 1.00 23.03 O ATOM 0 H SER A 24 -11.016 -3.466 0.074 1.00 30.12 H new ATOM 0 HA SER A 24 -10.145 -0.861 -0.587 1.00 53.11 H new ATOM 0 HB2 SER A 24 -12.118 -0.933 -2.137 1.00 4.10 H new ATOM 0 HB3 SER A 24 -11.145 -2.387 -2.238 1.00 4.10 H new ATOM 0 HG SER A 24 -13.355 -2.296 -0.440 1.00 23.03 H new ATOM 408 N LYS A 25 -11.520 0.812 0.575 1.00 50.25 N ATOM 409 CA LYS A 25 -12.270 1.850 1.294 1.00 41.12 C ATOM 410 C LYS A 25 -12.775 2.931 0.321 1.00 35.23 C ATOM 411 O LYS A 25 -12.300 3.028 -0.812 1.00 70.02 O ATOM 412 CB LYS A 25 -11.381 2.498 2.373 1.00 43.12 C ATOM 413 CG LYS A 25 -10.795 1.517 3.394 1.00 12.22 C ATOM 414 CD LYS A 25 -11.870 0.813 4.228 1.00 45.12 C ATOM 415 CE LYS A 25 -12.753 1.805 4.981 1.00 72.42 C ATOM 416 NZ LYS A 25 -13.703 1.126 5.899 1.00 20.52 N ATOM 0 H LYS A 25 -10.667 1.151 0.129 1.00 50.25 H new ATOM 0 HA LYS A 25 -13.130 1.379 1.771 1.00 41.12 H new ATOM 0 HB2 LYS A 25 -10.561 3.023 1.882 1.00 43.12 H new ATOM 0 HB3 LYS A 25 -11.967 3.248 2.905 1.00 43.12 H new ATOM 0 HG2 LYS A 25 -10.200 0.768 2.871 1.00 12.22 H new ATOM 0 HG3 LYS A 25 -10.119 2.054 4.060 1.00 12.22 H new ATOM 0 HD2 LYS A 25 -12.490 0.199 3.575 1.00 45.12 H new ATOM 0 HD3 LYS A 25 -11.393 0.140 4.940 1.00 45.12 H new ATOM 0 HE2 LYS A 25 -12.124 2.488 5.552 1.00 72.42 H new ATOM 0 HE3 LYS A 25 -13.311 2.409 4.265 1.00 72.42 H new ATOM 0 HZ1 LYS A 25 -14.282 1.838 6.389 1.00 20.52 H new ATOM 0 HZ2 LYS A 25 -14.322 0.493 5.353 1.00 20.52 H new ATOM 0 HZ3 LYS A 25 -13.172 0.570 6.600 1.00 20.52 H new ATOM 430 N LYS A 26 -13.749 3.726 0.762 1.00 42.02 N ATOM 431 CA LYS A 26 -14.283 4.829 -0.050 1.00 64.44 C ATOM 432 C LYS A 26 -14.312 6.144 0.748 1.00 35.21 C ATOM 433 O LYS A 26 -14.714 6.166 1.911 1.00 21.32 O ATOM 434 CB LYS A 26 -15.692 4.489 -0.563 1.00 64.41 C ATOM 435 CG LYS A 26 -16.711 4.206 0.543 1.00 54.35 C ATOM 436 CD LYS A 26 -18.120 4.000 -0.013 1.00 63.23 C ATOM 437 CE LYS A 26 -18.637 5.245 -0.728 1.00 34.15 C ATOM 438 NZ LYS A 26 -20.021 5.061 -1.243 1.00 3.40 N ATOM 0 H LYS A 26 -14.188 3.630 1.678 1.00 42.02 H new ATOM 0 HA LYS A 26 -13.620 4.964 -0.905 1.00 64.44 H new ATOM 0 HB2 LYS A 26 -16.054 5.317 -1.172 1.00 64.41 H new ATOM 0 HB3 LYS A 26 -15.629 3.618 -1.215 1.00 64.41 H new ATOM 0 HG2 LYS A 26 -16.407 3.318 1.097 1.00 54.35 H new ATOM 0 HG3 LYS A 26 -16.718 5.036 1.250 1.00 54.35 H new ATOM 0 HD2 LYS A 26 -18.118 3.158 -0.706 1.00 63.23 H new ATOM 0 HD3 LYS A 26 -18.797 3.741 0.801 1.00 63.23 H new ATOM 0 HE2 LYS A 26 -18.616 6.092 -0.042 1.00 34.15 H new ATOM 0 HE3 LYS A 26 -17.972 5.489 -1.556 1.00 34.15 H new ATOM 0 HZ1 LYS A 26 -20.332 5.931 -1.721 1.00 3.40 H new ATOM 0 HZ2 LYS A 26 -20.038 4.270 -1.918 1.00 3.40 H new ATOM 0 HZ3 LYS A 26 -20.662 4.854 -0.450 1.00 3.40 H new ATOM 452 N VAL A 27 -13.878 7.238 0.123 1.00 24.11 N ATOM 453 CA VAL A 27 -13.818 8.548 0.794 1.00 24.13 C ATOM 454 C VAL A 27 -14.296 9.687 -0.123 1.00 72.33 C ATOM 455 O VAL A 27 -14.569 9.478 -1.306 1.00 52.24 O ATOM 456 CB VAL A 27 -12.376 8.872 1.278 1.00 72.23 C ATOM 457 CG1 VAL A 27 -11.911 7.878 2.343 1.00 55.42 C ATOM 458 CG2 VAL A 27 -11.403 8.896 0.101 1.00 11.51 C ATOM 0 H VAL A 27 -13.562 7.249 -0.847 1.00 24.11 H new ATOM 0 HA VAL A 27 -14.486 8.479 1.653 1.00 24.13 H new ATOM 0 HB VAL A 27 -12.392 9.863 1.731 1.00 72.23 H new ATOM 0 HG11 VAL A 27 -10.900 8.132 2.661 1.00 55.42 H new ATOM 0 HG12 VAL A 27 -12.583 7.923 3.200 1.00 55.42 H new ATOM 0 HG13 VAL A 27 -11.919 6.870 1.928 1.00 55.42 H new ATOM 0 HG21 VAL A 27 -10.400 9.125 0.462 1.00 11.51 H new ATOM 0 HG22 VAL A 27 -11.399 7.922 -0.388 1.00 11.51 H new ATOM 0 HG23 VAL A 27 -11.714 9.659 -0.613 1.00 11.51 H new ATOM 468 N LEU A 28 -14.394 10.895 0.434 1.00 60.32 N ATOM 469 CA LEU A 28 -14.748 12.089 -0.344 1.00 50.32 C ATOM 470 C LEU A 28 -13.495 12.881 -0.735 1.00 61.35 C ATOM 471 O LEU A 28 -12.432 12.739 -0.121 1.00 12.23 O ATOM 472 CB LEU A 28 -15.694 12.997 0.460 1.00 62.31 C ATOM 473 CG LEU A 28 -17.074 12.403 0.786 1.00 63.02 C ATOM 474 CD1 LEU A 28 -17.886 13.363 1.654 1.00 3.31 C ATOM 475 CD2 LEU A 28 -17.833 12.067 -0.495 1.00 21.24 C ATOM 0 H LEU A 28 -14.233 11.075 1.425 1.00 60.32 H new ATOM 0 HA LEU A 28 -15.252 11.755 -1.251 1.00 50.32 H new ATOM 0 HB2 LEU A 28 -15.203 13.263 1.396 1.00 62.31 H new ATOM 0 HB3 LEU A 28 -15.840 13.922 -0.097 1.00 62.31 H new ATOM 0 HG LEU A 28 -16.922 11.481 1.347 1.00 63.02 H new ATOM 0 HD11 LEU A 28 -18.859 12.922 1.872 1.00 3.31 H new ATOM 0 HD12 LEU A 28 -17.354 13.548 2.587 1.00 3.31 H new ATOM 0 HD13 LEU A 28 -18.025 14.304 1.123 1.00 3.31 H new ATOM 0 HD21 LEU A 28 -18.807 11.648 -0.242 1.00 21.24 H new ATOM 0 HD22 LEU A 28 -17.970 12.973 -1.085 1.00 21.24 H new ATOM 0 HD23 LEU A 28 -17.265 11.340 -1.074 1.00 21.24 H new ATOM 487 N GLU A 29 -13.630 13.726 -1.754 1.00 31.53 N ATOM 488 CA GLU A 29 -12.523 14.571 -2.206 1.00 40.12 C ATOM 489 C GLU A 29 -11.993 15.466 -1.072 1.00 53.24 C ATOM 490 O GLU A 29 -12.665 16.400 -0.636 1.00 72.43 O ATOM 491 CB GLU A 29 -12.961 15.438 -3.397 1.00 12.13 C ATOM 492 CG GLU A 29 -13.362 14.636 -4.628 1.00 60.42 C ATOM 493 CD GLU A 29 -13.577 15.513 -5.849 1.00 44.31 C ATOM 494 OE1 GLU A 29 -14.603 16.228 -5.904 1.00 43.42 O ATOM 495 OE2 GLU A 29 -12.726 15.488 -6.764 1.00 24.23 O ATOM 0 H GLU A 29 -14.494 13.845 -2.283 1.00 31.53 H new ATOM 0 HA GLU A 29 -11.714 13.911 -2.520 1.00 40.12 H new ATOM 0 HB2 GLU A 29 -13.802 16.061 -3.091 1.00 12.13 H new ATOM 0 HB3 GLU A 29 -12.146 16.111 -3.663 1.00 12.13 H new ATOM 0 HG2 GLU A 29 -12.589 13.899 -4.845 1.00 60.42 H new ATOM 0 HG3 GLU A 29 -14.277 14.084 -4.416 1.00 60.42 H new ATOM 502 N GLY A 30 -10.785 15.176 -0.602 1.00 72.52 N ATOM 503 CA GLY A 30 -10.184 15.951 0.480 1.00 70.45 C ATOM 504 C GLY A 30 -9.895 15.123 1.730 1.00 3.21 C ATOM 505 O GLY A 30 -9.069 15.516 2.559 1.00 3.14 O ATOM 0 H GLY A 30 -10.204 14.414 -0.951 1.00 72.52 H new ATOM 0 HA2 GLY A 30 -9.255 16.396 0.125 1.00 70.45 H new ATOM 0 HA3 GLY A 30 -10.851 16.772 0.743 1.00 70.45 H new ATOM 509 N ASP A 31 -10.564 13.978 1.875 1.00 12.11 N ATOM 510 CA ASP A 31 -10.323 13.095 3.018 1.00 23.34 C ATOM 511 C ASP A 31 -8.979 12.357 2.899 1.00 63.42 C ATOM 512 O ASP A 31 -8.288 12.435 1.878 1.00 35.12 O ATOM 513 CB ASP A 31 -11.459 12.074 3.171 1.00 13.12 C ATOM 514 CG ASP A 31 -12.768 12.706 3.608 1.00 75.45 C ATOM 515 OD1 ASP A 31 -12.764 13.485 4.587 1.00 15.11 O ATOM 516 OD2 ASP A 31 -13.811 12.416 2.990 1.00 44.34 O ATOM 0 H ASP A 31 -11.271 13.642 1.221 1.00 12.11 H new ATOM 0 HA ASP A 31 -10.287 13.728 3.904 1.00 23.34 H new ATOM 0 HB2 ASP A 31 -11.609 11.560 2.221 1.00 13.12 H new ATOM 0 HB3 ASP A 31 -11.165 11.318 3.900 1.00 13.12 H new ATOM 521 N SER A 32 -8.617 11.648 3.962 1.00 11.44 N ATOM 522 CA SER A 32 -7.384 10.856 3.999 1.00 42.13 C ATOM 523 C SER A 32 -7.695 9.402 4.375 1.00 70.14 C ATOM 524 O SER A 32 -8.596 9.134 5.174 1.00 74.45 O ATOM 525 CB SER A 32 -6.386 11.454 5.003 1.00 25.23 C ATOM 526 OG SER A 32 -6.943 11.516 6.307 1.00 61.55 O ATOM 0 H SER A 32 -9.164 11.603 4.821 1.00 11.44 H new ATOM 0 HA SER A 32 -6.935 10.877 3.006 1.00 42.13 H new ATOM 0 HB2 SER A 32 -5.479 10.850 5.021 1.00 25.23 H new ATOM 0 HB3 SER A 32 -6.097 12.454 4.680 1.00 25.23 H new ATOM 0 HG SER A 32 -6.286 11.899 6.925 1.00 61.55 H new ATOM 532 N VAL A 33 -6.948 8.466 3.802 1.00 73.31 N ATOM 533 CA VAL A 33 -7.183 7.034 4.034 1.00 41.32 C ATOM 534 C VAL A 33 -5.882 6.309 4.408 1.00 70.52 C ATOM 535 O VAL A 33 -4.795 6.680 3.955 1.00 42.00 O ATOM 536 CB VAL A 33 -7.811 6.356 2.784 1.00 51.51 C ATOM 537 CG1 VAL A 33 -6.842 6.377 1.604 1.00 71.51 C ATOM 538 CG2 VAL A 33 -8.261 4.927 3.097 1.00 32.11 C ATOM 0 H VAL A 33 -6.172 8.667 3.171 1.00 73.31 H new ATOM 0 HA VAL A 33 -7.882 6.957 4.867 1.00 41.32 H new ATOM 0 HB VAL A 33 -8.694 6.930 2.504 1.00 51.51 H new ATOM 0 HG11 VAL A 33 -7.307 5.896 0.743 1.00 71.51 H new ATOM 0 HG12 VAL A 33 -6.595 7.409 1.354 1.00 71.51 H new ATOM 0 HG13 VAL A 33 -5.931 5.841 1.871 1.00 71.51 H new ATOM 0 HG21 VAL A 33 -8.696 4.479 2.204 1.00 32.11 H new ATOM 0 HG22 VAL A 33 -7.402 4.337 3.418 1.00 32.11 H new ATOM 0 HG23 VAL A 33 -9.006 4.946 3.893 1.00 32.11 H new ATOM 548 N LYS A 34 -5.999 5.282 5.241 1.00 2.34 N ATOM 549 CA LYS A 34 -4.849 4.468 5.641 1.00 43.21 C ATOM 550 C LYS A 34 -5.073 2.987 5.295 1.00 52.23 C ATOM 551 O LYS A 34 -5.989 2.341 5.807 1.00 3.34 O ATOM 552 CB LYS A 34 -4.584 4.650 7.147 1.00 30.22 C ATOM 553 CG LYS A 34 -5.822 4.466 8.028 1.00 55.43 C ATOM 554 CD LYS A 34 -5.560 4.888 9.475 1.00 62.30 C ATOM 555 CE LYS A 34 -4.520 4.000 10.153 1.00 11.41 C ATOM 556 NZ LYS A 34 -5.017 2.612 10.353 1.00 23.03 N ATOM 0 H LYS A 34 -6.883 4.989 5.657 1.00 2.34 H new ATOM 0 HA LYS A 34 -3.972 4.802 5.087 1.00 43.21 H new ATOM 0 HB2 LYS A 34 -3.821 3.937 7.459 1.00 30.22 H new ATOM 0 HB3 LYS A 34 -4.177 5.647 7.315 1.00 30.22 H new ATOM 0 HG2 LYS A 34 -6.647 5.052 7.622 1.00 55.43 H new ATOM 0 HG3 LYS A 34 -6.132 3.421 8.005 1.00 55.43 H new ATOM 0 HD2 LYS A 34 -5.220 5.923 9.494 1.00 62.30 H new ATOM 0 HD3 LYS A 34 -6.492 4.848 10.038 1.00 62.30 H new ATOM 0 HE2 LYS A 34 -3.614 3.977 9.548 1.00 11.41 H new ATOM 0 HE3 LYS A 34 -4.249 4.430 11.117 1.00 11.41 H new ATOM 0 HZ1 LYS A 34 -5.079 2.409 11.371 1.00 23.03 H new ATOM 0 HZ2 LYS A 34 -5.959 2.515 9.923 1.00 23.03 H new ATOM 0 HZ3 LYS A 34 -4.361 1.941 9.905 1.00 23.03 H new ATOM 570 N LEU A 35 -4.226 2.462 4.414 1.00 35.25 N ATOM 571 CA LEU A 35 -4.306 1.062 3.986 1.00 72.14 C ATOM 572 C LEU A 35 -3.122 0.265 4.552 1.00 41.43 C ATOM 573 O LEU A 35 -1.977 0.489 4.168 1.00 62.32 O ATOM 574 CB LEU A 35 -4.307 0.987 2.450 1.00 43.34 C ATOM 575 CG LEU A 35 -5.428 1.776 1.750 1.00 73.53 C ATOM 576 CD1 LEU A 35 -5.245 1.746 0.235 1.00 43.40 C ATOM 577 CD2 LEU A 35 -6.799 1.229 2.140 1.00 31.24 C ATOM 0 H LEU A 35 -3.469 2.988 3.977 1.00 35.25 H new ATOM 0 HA LEU A 35 -5.231 0.628 4.365 1.00 72.14 H new ATOM 0 HB2 LEU A 35 -3.347 1.352 2.085 1.00 43.34 H new ATOM 0 HB3 LEU A 35 -4.384 -0.059 2.155 1.00 43.34 H new ATOM 0 HG LEU A 35 -5.370 2.814 2.079 1.00 73.53 H new ATOM 0 HD11 LEU A 35 -6.048 2.310 -0.240 1.00 43.40 H new ATOM 0 HD12 LEU A 35 -4.285 2.193 -0.024 1.00 43.40 H new ATOM 0 HD13 LEU A 35 -5.271 0.714 -0.114 1.00 43.40 H new ATOM 0 HD21 LEU A 35 -7.576 1.801 1.634 1.00 31.24 H new ATOM 0 HD22 LEU A 35 -6.870 0.182 1.846 1.00 31.24 H new ATOM 0 HD23 LEU A 35 -6.931 1.313 3.219 1.00 31.24 H new ATOM 589 N GLU A 36 -3.396 -0.668 5.459 1.00 63.13 N ATOM 590 CA GLU A 36 -2.323 -1.403 6.136 1.00 23.04 C ATOM 591 C GLU A 36 -2.524 -2.926 6.094 1.00 61.00 C ATOM 592 O GLU A 36 -3.646 -3.423 5.992 1.00 73.01 O ATOM 593 CB GLU A 36 -2.198 -0.933 7.592 1.00 24.41 C ATOM 594 CG GLU A 36 -3.481 -1.066 8.402 1.00 5.35 C ATOM 595 CD GLU A 36 -3.298 -0.644 9.849 1.00 55.03 C ATOM 596 OE1 GLU A 36 -3.436 0.555 10.148 1.00 25.13 O ATOM 597 OE2 GLU A 36 -3.004 -1.514 10.696 1.00 52.31 O ATOM 0 H GLU A 36 -4.339 -0.934 5.742 1.00 63.13 H new ATOM 0 HA GLU A 36 -1.402 -1.187 5.594 1.00 23.04 H new ATOM 0 HB2 GLU A 36 -1.411 -1.507 8.081 1.00 24.41 H new ATOM 0 HB3 GLU A 36 -1.883 0.110 7.600 1.00 24.41 H new ATOM 0 HG2 GLU A 36 -4.261 -0.457 7.945 1.00 5.35 H new ATOM 0 HG3 GLU A 36 -3.823 -2.100 8.368 1.00 5.35 H new ATOM 604 N CYS A 37 -1.412 -3.650 6.179 1.00 31.12 N ATOM 605 CA CYS A 37 -1.417 -5.115 6.191 1.00 64.30 C ATOM 606 C CYS A 37 -0.207 -5.656 6.967 1.00 12.43 C ATOM 607 O CYS A 37 0.736 -4.918 7.261 1.00 32.12 O ATOM 608 CB CYS A 37 -1.402 -5.659 4.756 1.00 52.21 C ATOM 609 SG CYS A 37 0.047 -5.174 3.790 1.00 13.03 S ATOM 0 H CYS A 37 -0.480 -3.240 6.242 1.00 31.12 H new ATOM 0 HA CYS A 37 -2.328 -5.448 6.689 1.00 64.30 H new ATOM 0 HB2 CYS A 37 -1.452 -6.747 4.792 1.00 52.21 H new ATOM 0 HB3 CYS A 37 -2.299 -5.316 4.241 1.00 52.21 H new ATOM 0 HG CYS A 37 -0.316 -4.896 2.573 1.00 13.03 H new ATOM 615 N GLN A 38 -0.236 -6.943 7.304 1.00 11.24 N ATOM 616 CA GLN A 38 0.865 -7.575 8.041 1.00 50.35 C ATOM 617 C GLN A 38 1.657 -8.530 7.140 1.00 15.44 C ATOM 618 O GLN A 38 1.141 -9.566 6.713 1.00 64.11 O ATOM 619 CB GLN A 38 0.328 -8.341 9.258 1.00 33.52 C ATOM 620 CG GLN A 38 -0.354 -7.461 10.305 1.00 55.52 C ATOM 621 CD GLN A 38 0.599 -6.502 11.008 1.00 22.44 C ATOM 622 OE1 GLN A 38 0.213 -5.412 11.410 1.00 74.14 O ATOM 623 NE2 GLN A 38 1.842 -6.903 11.183 1.00 71.34 N ATOM 0 H GLN A 38 -1.007 -7.572 7.081 1.00 11.24 H new ATOM 0 HA GLN A 38 1.533 -6.783 8.381 1.00 50.35 H new ATOM 0 HB2 GLN A 38 -0.382 -9.093 8.915 1.00 33.52 H new ATOM 0 HB3 GLN A 38 1.153 -8.874 9.730 1.00 33.52 H new ATOM 0 HG2 GLN A 38 -1.146 -6.886 9.825 1.00 55.52 H new ATOM 0 HG3 GLN A 38 -0.830 -8.099 11.050 1.00 55.52 H new ATOM 0 HE21 GLN A 38 2.137 -7.816 10.838 1.00 71.34 H new ATOM 0 HE22 GLN A 38 2.510 -6.300 11.664 1.00 71.34 H new ATOM 632 N ILE A 39 2.906 -8.170 6.848 1.00 1.43 N ATOM 633 CA ILE A 39 3.799 -9.006 6.036 1.00 35.24 C ATOM 634 C ILE A 39 4.966 -9.543 6.880 1.00 41.12 C ATOM 635 O ILE A 39 5.774 -8.772 7.398 1.00 23.14 O ATOM 636 CB ILE A 39 4.386 -8.211 4.838 1.00 21.24 C ATOM 637 CG1 ILE A 39 3.261 -7.578 4.000 1.00 2.24 C ATOM 638 CG2 ILE A 39 5.263 -9.116 3.967 1.00 11.25 C ATOM 639 CD1 ILE A 39 3.763 -6.744 2.839 1.00 31.23 C ATOM 0 H ILE A 39 3.329 -7.297 7.164 1.00 1.43 H new ATOM 0 HA ILE A 39 3.199 -9.836 5.661 1.00 35.24 H new ATOM 0 HB ILE A 39 5.008 -7.409 5.234 1.00 21.24 H new ATOM 0 HG12 ILE A 39 2.617 -8.369 3.616 1.00 2.24 H new ATOM 0 HG13 ILE A 39 2.646 -6.952 4.647 1.00 2.24 H new ATOM 0 HG21 ILE A 39 5.665 -8.540 3.133 1.00 11.25 H new ATOM 0 HG22 ILE A 39 6.085 -9.511 4.565 1.00 11.25 H new ATOM 0 HG23 ILE A 39 4.664 -9.942 3.583 1.00 11.25 H new ATOM 0 HD11 ILE A 39 2.914 -6.330 2.294 1.00 31.23 H new ATOM 0 HD12 ILE A 39 4.383 -5.931 3.216 1.00 31.23 H new ATOM 0 HD13 ILE A 39 4.353 -7.370 2.170 1.00 31.23 H new ATOM 651 N SER A 40 5.059 -10.863 7.015 1.00 52.35 N ATOM 652 CA SER A 40 6.157 -11.474 7.781 1.00 23.24 C ATOM 653 C SER A 40 7.323 -11.861 6.862 1.00 3.21 C ATOM 654 O SER A 40 7.253 -12.854 6.139 1.00 44.21 O ATOM 655 CB SER A 40 5.654 -12.711 8.539 1.00 41.30 C ATOM 656 OG SER A 40 6.698 -13.333 9.274 1.00 11.23 O ATOM 0 H SER A 40 4.399 -11.529 6.612 1.00 52.35 H new ATOM 0 HA SER A 40 6.517 -10.737 8.499 1.00 23.24 H new ATOM 0 HB2 SER A 40 4.852 -12.421 9.218 1.00 41.30 H new ATOM 0 HB3 SER A 40 5.231 -13.425 7.832 1.00 41.30 H new ATOM 0 HG SER A 40 6.344 -14.116 9.746 1.00 11.23 H new ATOM 662 N ALA A 41 8.376 -11.039 6.861 1.00 63.42 N ATOM 663 CA ALA A 41 9.588 -11.309 6.073 1.00 71.50 C ATOM 664 C ALA A 41 10.869 -11.093 6.897 1.00 22.35 C ATOM 665 O ALA A 41 10.913 -10.227 7.775 1.00 14.22 O ATOM 666 CB ALA A 41 9.615 -10.432 4.827 1.00 53.24 C ATOM 0 H ALA A 41 8.416 -10.174 7.400 1.00 63.42 H new ATOM 0 HA ALA A 41 9.557 -12.358 5.777 1.00 71.50 H new ATOM 0 HB1 ALA A 41 10.518 -10.643 4.253 1.00 53.24 H new ATOM 0 HB2 ALA A 41 8.738 -10.643 4.215 1.00 53.24 H new ATOM 0 HB3 ALA A 41 9.608 -9.382 5.121 1.00 53.24 H new ATOM 672 N ILE A 42 11.912 -11.871 6.601 1.00 21.41 N ATOM 673 CA ILE A 42 13.230 -11.692 7.240 1.00 4.44 C ATOM 674 C ILE A 42 14.365 -11.913 6.218 1.00 20.04 C ATOM 675 O ILE A 42 14.546 -13.025 5.722 1.00 62.52 O ATOM 676 CB ILE A 42 13.441 -12.668 8.433 1.00 33.51 C ATOM 677 CG1 ILE A 42 12.335 -12.499 9.493 1.00 24.40 C ATOM 678 CG2 ILE A 42 14.821 -12.454 9.061 1.00 14.41 C ATOM 679 CD1 ILE A 42 12.457 -13.455 10.664 1.00 11.50 C ATOM 0 H ILE A 42 11.876 -12.633 5.924 1.00 21.41 H new ATOM 0 HA ILE A 42 13.255 -10.669 7.617 1.00 4.44 H new ATOM 0 HB ILE A 42 13.385 -13.686 8.048 1.00 33.51 H new ATOM 0 HG12 ILE A 42 12.357 -11.476 9.868 1.00 24.40 H new ATOM 0 HG13 ILE A 42 11.365 -12.643 9.018 1.00 24.40 H new ATOM 0 HG21 ILE A 42 14.953 -13.144 9.894 1.00 14.41 H new ATOM 0 HG22 ILE A 42 15.593 -12.636 8.313 1.00 14.41 H new ATOM 0 HG23 ILE A 42 14.901 -11.429 9.423 1.00 14.41 H new ATOM 0 HD11 ILE A 42 11.644 -13.275 11.367 1.00 11.50 H new ATOM 0 HD12 ILE A 42 12.404 -14.482 10.302 1.00 11.50 H new ATOM 0 HD13 ILE A 42 13.412 -13.296 11.165 1.00 11.50 H new ATOM 691 N PRO A 43 15.145 -10.866 5.864 1.00 35.31 N ATOM 692 CA PRO A 43 14.949 -9.476 6.336 1.00 53.12 C ATOM 693 C PRO A 43 13.761 -8.755 5.649 1.00 61.54 C ATOM 694 O PRO A 43 13.187 -9.271 4.690 1.00 51.23 O ATOM 695 CB PRO A 43 16.289 -8.785 5.974 1.00 14.53 C ATOM 696 CG PRO A 43 17.204 -9.877 5.507 1.00 51.41 C ATOM 697 CD PRO A 43 16.318 -10.971 4.992 1.00 31.32 C ATOM 0 HA PRO A 43 14.703 -9.446 7.398 1.00 53.12 H new ATOM 0 HB2 PRO A 43 16.144 -8.037 5.194 1.00 14.53 H new ATOM 0 HB3 PRO A 43 16.707 -8.268 6.838 1.00 14.53 H new ATOM 0 HG2 PRO A 43 17.873 -9.517 4.725 1.00 51.41 H new ATOM 0 HG3 PRO A 43 17.831 -10.235 6.323 1.00 51.41 H new ATOM 0 HD2 PRO A 43 16.059 -10.824 3.944 1.00 31.32 H new ATOM 0 HD3 PRO A 43 16.794 -11.949 5.068 1.00 31.32 H new ATOM 705 N PRO A 44 13.361 -7.558 6.148 1.00 53.41 N ATOM 706 CA PRO A 44 12.288 -6.748 5.529 1.00 72.52 C ATOM 707 C PRO A 44 12.442 -6.593 4.001 1.00 2.14 C ATOM 708 O PRO A 44 13.542 -6.337 3.503 1.00 71.01 O ATOM 709 CB PRO A 44 12.436 -5.391 6.228 1.00 2.53 C ATOM 710 CG PRO A 44 12.979 -5.729 7.575 1.00 23.41 C ATOM 711 CD PRO A 44 13.895 -6.909 7.366 1.00 32.20 C ATOM 0 HA PRO A 44 11.310 -7.213 5.652 1.00 72.52 H new ATOM 0 HB2 PRO A 44 13.111 -4.733 5.681 1.00 2.53 H new ATOM 0 HB3 PRO A 44 11.479 -4.875 6.303 1.00 2.53 H new ATOM 0 HG2 PRO A 44 13.521 -4.885 8.001 1.00 23.41 H new ATOM 0 HG3 PRO A 44 12.176 -5.976 8.269 1.00 23.41 H new ATOM 0 HD2 PRO A 44 14.929 -6.593 7.231 1.00 32.20 H new ATOM 0 HD3 PRO A 44 13.877 -7.586 8.220 1.00 32.20 H new ATOM 719 N PRO A 45 11.337 -6.732 3.238 1.00 62.03 N ATOM 720 CA PRO A 45 11.367 -6.702 1.771 1.00 63.41 C ATOM 721 C PRO A 45 11.195 -5.296 1.167 1.00 10.34 C ATOM 722 O PRO A 45 10.802 -4.346 1.852 1.00 52.23 O ATOM 723 CB PRO A 45 10.162 -7.576 1.419 1.00 61.34 C ATOM 724 CG PRO A 45 9.170 -7.297 2.505 1.00 61.14 C ATOM 725 CD PRO A 45 9.965 -6.936 3.743 1.00 13.54 C ATOM 0 HA PRO A 45 12.327 -7.037 1.377 1.00 63.41 H new ATOM 0 HB2 PRO A 45 9.760 -7.322 0.438 1.00 61.34 H new ATOM 0 HB3 PRO A 45 10.432 -8.632 1.389 1.00 61.34 H new ATOM 0 HG2 PRO A 45 8.505 -6.481 2.221 1.00 61.14 H new ATOM 0 HG3 PRO A 45 8.543 -8.169 2.689 1.00 61.14 H new ATOM 0 HD2 PRO A 45 9.576 -6.035 4.219 1.00 13.54 H new ATOM 0 HD3 PRO A 45 9.928 -7.731 4.488 1.00 13.54 H new ATOM 733 N LYS A 46 11.488 -5.178 -0.127 1.00 34.42 N ATOM 734 CA LYS A 46 11.262 -3.934 -0.866 1.00 23.31 C ATOM 735 C LYS A 46 9.791 -3.831 -1.305 1.00 63.33 C ATOM 736 O LYS A 46 9.280 -4.701 -2.012 1.00 22.31 O ATOM 737 CB LYS A 46 12.190 -3.869 -2.087 1.00 13.31 C ATOM 738 CG LYS A 46 12.089 -2.574 -2.884 1.00 55.23 C ATOM 739 CD LYS A 46 12.499 -1.355 -2.067 1.00 10.31 C ATOM 740 CE LYS A 46 12.486 -0.091 -2.917 1.00 21.23 C ATOM 741 NZ LYS A 46 12.967 1.098 -2.168 1.00 44.44 N ATOM 0 H LYS A 46 11.884 -5.932 -0.689 1.00 34.42 H new ATOM 0 HA LYS A 46 11.486 -3.092 -0.211 1.00 23.31 H new ATOM 0 HB2 LYS A 46 13.220 -3.997 -1.753 1.00 13.31 H new ATOM 0 HB3 LYS A 46 11.962 -4.706 -2.747 1.00 13.31 H new ATOM 0 HG2 LYS A 46 12.722 -2.645 -3.768 1.00 55.23 H new ATOM 0 HG3 LYS A 46 11.065 -2.445 -3.234 1.00 55.23 H new ATOM 0 HD2 LYS A 46 11.820 -1.235 -1.222 1.00 10.31 H new ATOM 0 HD3 LYS A 46 13.496 -1.509 -1.655 1.00 10.31 H new ATOM 0 HE2 LYS A 46 13.112 -0.241 -3.797 1.00 21.23 H new ATOM 0 HE3 LYS A 46 11.473 0.093 -3.275 1.00 21.23 H new ATOM 0 HZ1 LYS A 46 12.940 1.933 -2.788 1.00 44.44 H new ATOM 0 HZ2 LYS A 46 12.355 1.259 -1.343 1.00 44.44 H new ATOM 0 HZ3 LYS A 46 13.943 0.936 -1.849 1.00 44.44 H new ATOM 755 N LEU A 47 9.117 -2.770 -0.870 1.00 31.23 N ATOM 756 CA LEU A 47 7.690 -2.573 -1.154 1.00 70.34 C ATOM 757 C LEU A 47 7.467 -1.730 -2.422 1.00 44.11 C ATOM 758 O LEU A 47 7.978 -0.613 -2.534 1.00 31.40 O ATOM 759 CB LEU A 47 7.023 -1.884 0.043 1.00 43.32 C ATOM 760 CG LEU A 47 7.191 -2.602 1.396 1.00 32.51 C ATOM 761 CD1 LEU A 47 6.615 -1.758 2.529 1.00 20.14 C ATOM 762 CD2 LEU A 47 6.540 -3.984 1.366 1.00 55.10 C ATOM 0 H LEU A 47 9.537 -2.025 -0.314 1.00 31.23 H new ATOM 0 HA LEU A 47 7.245 -3.553 -1.324 1.00 70.34 H new ATOM 0 HB2 LEU A 47 7.428 -0.876 0.133 1.00 43.32 H new ATOM 0 HB3 LEU A 47 5.958 -1.782 -0.165 1.00 43.32 H new ATOM 0 HG LEU A 47 8.257 -2.736 1.577 1.00 32.51 H new ATOM 0 HD11 LEU A 47 6.744 -2.283 3.476 1.00 20.14 H new ATOM 0 HD12 LEU A 47 7.136 -0.801 2.571 1.00 20.14 H new ATOM 0 HD13 LEU A 47 5.553 -1.586 2.351 1.00 20.14 H new ATOM 0 HD21 LEU A 47 6.673 -4.470 2.333 1.00 55.10 H new ATOM 0 HD22 LEU A 47 5.476 -3.880 1.155 1.00 55.10 H new ATOM 0 HD23 LEU A 47 7.007 -4.589 0.589 1.00 55.10 H new ATOM 774 N PHE A 48 6.705 -2.272 -3.373 1.00 4.32 N ATOM 775 CA PHE A 48 6.318 -1.537 -4.586 1.00 64.31 C ATOM 776 C PHE A 48 4.793 -1.360 -4.657 1.00 40.54 C ATOM 777 O PHE A 48 4.038 -2.232 -4.228 1.00 14.42 O ATOM 778 CB PHE A 48 6.809 -2.273 -5.843 1.00 23.22 C ATOM 779 CG PHE A 48 8.311 -2.385 -5.942 1.00 1.33 C ATOM 780 CD1 PHE A 48 9.076 -1.304 -6.362 1.00 23.44 C ATOM 781 CD2 PHE A 48 8.959 -3.569 -5.616 1.00 51.42 C ATOM 782 CE1 PHE A 48 10.453 -1.404 -6.452 1.00 24.23 C ATOM 783 CE2 PHE A 48 10.333 -3.671 -5.708 1.00 54.22 C ATOM 784 CZ PHE A 48 11.080 -2.590 -6.125 1.00 40.53 C ATOM 0 H PHE A 48 6.340 -3.223 -3.329 1.00 4.32 H new ATOM 0 HA PHE A 48 6.785 -0.553 -4.542 1.00 64.31 H new ATOM 0 HB2 PHE A 48 6.379 -3.274 -5.856 1.00 23.22 H new ATOM 0 HB3 PHE A 48 6.435 -1.753 -6.725 1.00 23.22 H new ATOM 0 HD1 PHE A 48 8.590 -0.375 -6.621 1.00 23.44 H new ATOM 0 HD2 PHE A 48 8.382 -4.420 -5.287 1.00 51.42 H new ATOM 0 HE1 PHE A 48 11.037 -0.556 -6.778 1.00 24.23 H new ATOM 0 HE2 PHE A 48 10.823 -4.599 -5.453 1.00 54.22 H new ATOM 0 HZ PHE A 48 12.155 -2.671 -6.196 1.00 40.53 H new ATOM 794 N TRP A 49 4.348 -0.232 -5.206 1.00 21.12 N ATOM 795 CA TRP A 49 2.913 0.057 -5.350 1.00 3.22 C ATOM 796 C TRP A 49 2.574 0.540 -6.769 1.00 4.01 C ATOM 797 O TRP A 49 3.150 1.512 -7.263 1.00 54.45 O ATOM 798 CB TRP A 49 2.470 1.119 -4.331 1.00 71.51 C ATOM 799 CG TRP A 49 2.390 0.619 -2.919 1.00 35.52 C ATOM 800 CD1 TRP A 49 3.413 0.518 -2.021 1.00 70.21 C ATOM 801 CD2 TRP A 49 1.215 0.157 -2.240 1.00 60.44 C ATOM 802 NE1 TRP A 49 2.948 0.023 -0.827 1.00 65.35 N ATOM 803 CE2 TRP A 49 1.600 -0.206 -0.938 1.00 53.23 C ATOM 804 CE3 TRP A 49 -0.126 0.017 -2.611 1.00 22.24 C ATOM 805 CZ2 TRP A 49 0.690 -0.699 -0.001 1.00 35.23 C ATOM 806 CZ3 TRP A 49 -1.027 -0.471 -1.683 1.00 60.45 C ATOM 807 CH2 TRP A 49 -0.617 -0.823 -0.391 1.00 73.44 C ATOM 0 H TRP A 49 4.959 0.503 -5.562 1.00 21.12 H new ATOM 0 HA TRP A 49 2.376 -0.873 -5.163 1.00 3.22 H new ATOM 0 HB2 TRP A 49 3.167 1.956 -4.369 1.00 71.51 H new ATOM 0 HB3 TRP A 49 1.493 1.503 -4.625 1.00 71.51 H new ATOM 0 HD1 TRP A 49 4.439 0.788 -2.220 1.00 70.21 H new ATOM 0 HE1 TRP A 49 3.512 -0.146 0.006 1.00 65.35 H new ATOM 0 HE3 TRP A 49 -0.452 0.285 -3.605 1.00 22.24 H new ATOM 0 HZ2 TRP A 49 1.005 -0.973 0.995 1.00 35.23 H new ATOM 0 HZ3 TRP A 49 -2.065 -0.583 -1.959 1.00 60.45 H new ATOM 0 HH2 TRP A 49 -1.346 -1.200 0.312 1.00 73.44 H new ATOM 818 N LYS A 50 1.639 -0.147 -7.421 1.00 51.54 N ATOM 819 CA LYS A 50 1.122 0.287 -8.725 1.00 20.12 C ATOM 820 C LYS A 50 -0.387 0.562 -8.646 1.00 55.35 C ATOM 821 O LYS A 50 -1.150 -0.268 -8.157 1.00 70.11 O ATOM 822 CB LYS A 50 1.397 -0.767 -9.811 1.00 11.45 C ATOM 823 CG LYS A 50 0.808 -0.396 -11.173 1.00 23.33 C ATOM 824 CD LYS A 50 0.907 -1.522 -12.208 1.00 21.13 C ATOM 825 CE LYS A 50 2.347 -1.847 -12.600 1.00 43.12 C ATOM 826 NZ LYS A 50 3.021 -2.751 -11.628 1.00 61.11 N ATOM 0 H LYS A 50 1.221 -1.009 -7.070 1.00 51.54 H new ATOM 0 HA LYS A 50 1.641 1.208 -8.993 1.00 20.12 H new ATOM 0 HB2 LYS A 50 2.474 -0.902 -9.913 1.00 11.45 H new ATOM 0 HB3 LYS A 50 0.984 -1.724 -9.492 1.00 11.45 H new ATOM 0 HG2 LYS A 50 -0.239 -0.122 -11.045 1.00 23.33 H new ATOM 0 HG3 LYS A 50 1.324 0.485 -11.555 1.00 23.33 H new ATOM 0 HD2 LYS A 50 0.434 -2.419 -11.808 1.00 21.13 H new ATOM 0 HD3 LYS A 50 0.349 -1.238 -13.100 1.00 21.13 H new ATOM 0 HE2 LYS A 50 2.354 -2.312 -13.586 1.00 43.12 H new ATOM 0 HE3 LYS A 50 2.915 -0.920 -12.680 1.00 43.12 H new ATOM 0 HZ1 LYS A 50 3.818 -2.251 -11.184 1.00 61.11 H new ATOM 0 HZ2 LYS A 50 2.342 -3.041 -10.895 1.00 61.11 H new ATOM 0 HZ3 LYS A 50 3.375 -3.593 -12.125 1.00 61.11 H new ATOM 840 N ARG A 51 -0.807 1.734 -9.122 1.00 5.43 N ATOM 841 CA ARG A 51 -2.229 2.086 -9.170 1.00 51.44 C ATOM 842 C ARG A 51 -2.731 2.159 -10.615 1.00 55.33 C ATOM 843 O ARG A 51 -2.320 3.039 -11.361 1.00 35.55 O ATOM 844 CB ARG A 51 -2.468 3.457 -8.524 1.00 40.30 C ATOM 845 CG ARG A 51 -3.943 3.859 -8.482 1.00 63.13 C ATOM 846 CD ARG A 51 -4.129 5.352 -8.225 1.00 72.34 C ATOM 847 NE ARG A 51 -3.790 6.156 -9.401 1.00 72.51 N ATOM 848 CZ ARG A 51 -3.787 7.461 -9.416 1.00 24.32 C ATOM 849 NH1 ARG A 51 -4.049 8.137 -8.348 1.00 22.54 N ATOM 850 NH2 ARG A 51 -3.528 8.093 -10.507 1.00 32.41 N ATOM 0 H ARG A 51 -0.184 2.457 -9.480 1.00 5.43 H new ATOM 0 HA ARG A 51 -2.768 1.309 -8.627 1.00 51.44 H new ATOM 0 HB2 ARG A 51 -2.073 3.446 -7.508 1.00 40.30 H new ATOM 0 HB3 ARG A 51 -1.908 4.213 -9.075 1.00 40.30 H new ATOM 0 HG2 ARG A 51 -4.417 3.593 -9.427 1.00 63.13 H new ATOM 0 HG3 ARG A 51 -4.450 3.292 -7.701 1.00 63.13 H new ATOM 0 HD2 ARG A 51 -5.163 5.545 -7.939 1.00 72.34 H new ATOM 0 HD3 ARG A 51 -3.504 5.656 -7.385 1.00 72.34 H new ATOM 0 HE ARG A 51 -3.541 5.666 -10.261 1.00 72.51 H new ATOM 0 HH11 ARG A 51 -4.262 7.652 -7.477 1.00 22.54 H new ATOM 0 HH12 ARG A 51 -4.043 9.157 -8.375 1.00 22.54 H new ATOM 0 HH21 ARG A 51 -3.325 7.574 -11.361 1.00 32.41 H new ATOM 0 HH22 ARG A 51 -3.526 9.113 -10.517 1.00 32.41 H new ATOM 864 N ASN A 52 -3.628 1.254 -10.998 1.00 15.14 N ATOM 865 CA ASN A 52 -4.322 1.354 -12.289 1.00 44.11 C ATOM 866 C ASN A 52 -3.320 1.457 -13.468 1.00 32.42 C ATOM 867 O ASN A 52 -3.470 2.300 -14.355 1.00 0.12 O ATOM 868 CB ASN A 52 -5.249 2.582 -12.235 1.00 53.22 C ATOM 869 CG ASN A 52 -6.205 2.683 -13.406 1.00 42.50 C ATOM 870 OD1 ASN A 52 -6.590 1.685 -14.009 1.00 52.11 O ATOM 871 ND2 ASN A 52 -6.604 3.896 -13.727 1.00 2.43 N ATOM 0 H ASN A 52 -3.894 0.444 -10.438 1.00 15.14 H new ATOM 0 HA ASN A 52 -4.908 0.451 -12.463 1.00 44.11 H new ATOM 0 HB2 ASN A 52 -5.825 2.549 -11.310 1.00 53.22 H new ATOM 0 HB3 ASN A 52 -4.638 3.484 -12.198 1.00 53.22 H new ATOM 0 HD21 ASN A 52 -7.255 4.031 -14.500 1.00 2.43 H new ATOM 0 HD22 ASN A 52 -6.262 4.701 -13.202 1.00 2.43 H new ATOM 878 N ASN A 53 -2.309 0.577 -13.459 1.00 73.30 N ATOM 879 CA ASN A 53 -1.227 0.563 -14.469 1.00 52.22 C ATOM 880 C ASN A 53 -0.220 1.723 -14.292 1.00 20.33 C ATOM 881 O ASN A 53 0.736 1.843 -15.057 1.00 21.05 O ATOM 882 CB ASN A 53 -1.794 0.565 -15.900 1.00 53.12 C ATOM 883 CG ASN A 53 -2.548 -0.713 -16.226 1.00 73.32 C ATOM 884 OD1 ASN A 53 -2.227 -1.783 -15.717 1.00 54.10 O ATOM 885 ND2 ASN A 53 -3.543 -0.617 -17.083 1.00 51.32 N ATOM 0 H ASN A 53 -2.213 -0.150 -12.750 1.00 73.30 H new ATOM 0 HA ASN A 53 -0.680 -0.366 -14.307 1.00 52.22 H new ATOM 0 HB2 ASN A 53 -2.461 1.418 -16.022 1.00 53.12 H new ATOM 0 HB3 ASN A 53 -0.978 0.694 -16.611 1.00 53.12 H new ATOM 0 HD21 ASN A 53 -4.074 -1.448 -17.343 1.00 51.32 H new ATOM 0 HD22 ASN A 53 -3.783 0.288 -17.487 1.00 51.32 H new ATOM 892 N GLU A 54 -0.423 2.556 -13.276 1.00 32.22 N ATOM 893 CA GLU A 54 0.478 3.688 -13.000 1.00 61.02 C ATOM 894 C GLU A 54 1.426 3.386 -11.829 1.00 54.31 C ATOM 895 O GLU A 54 1.033 2.779 -10.834 1.00 44.13 O ATOM 896 CB GLU A 54 -0.335 4.949 -12.668 1.00 3.22 C ATOM 897 CG GLU A 54 -1.352 5.338 -13.733 1.00 14.11 C ATOM 898 CD GLU A 54 -2.181 6.547 -13.328 1.00 22.54 C ATOM 899 OE1 GLU A 54 -3.171 6.376 -12.583 1.00 70.32 O ATOM 900 OE2 GLU A 54 -1.837 7.679 -13.737 1.00 11.42 O ATOM 0 H GLU A 54 -1.203 2.474 -12.624 1.00 32.22 H new ATOM 0 HA GLU A 54 1.073 3.852 -13.898 1.00 61.02 H new ATOM 0 HB2 GLU A 54 -0.857 4.792 -11.724 1.00 3.22 H new ATOM 0 HB3 GLU A 54 0.353 5.781 -12.518 1.00 3.22 H new ATOM 0 HG2 GLU A 54 -0.832 5.553 -14.667 1.00 14.11 H new ATOM 0 HG3 GLU A 54 -2.015 4.494 -13.924 1.00 14.11 H new ATOM 907 N MET A 55 2.678 3.817 -11.948 1.00 2.23 N ATOM 908 CA MET A 55 3.649 3.687 -10.855 1.00 51.20 C ATOM 909 C MET A 55 3.384 4.757 -9.780 1.00 52.02 C ATOM 910 O MET A 55 3.489 5.954 -10.054 1.00 52.43 O ATOM 911 CB MET A 55 5.080 3.835 -11.404 1.00 22.45 C ATOM 912 CG MET A 55 6.192 3.635 -10.371 1.00 54.33 C ATOM 913 SD MET A 55 6.761 1.923 -10.242 1.00 2.23 S ATOM 914 CE MET A 55 5.360 1.117 -9.466 1.00 1.11 C ATOM 0 H MET A 55 3.049 4.260 -12.789 1.00 2.23 H new ATOM 0 HA MET A 55 3.542 2.701 -10.403 1.00 51.20 H new ATOM 0 HB2 MET A 55 5.220 3.115 -12.211 1.00 22.45 H new ATOM 0 HB3 MET A 55 5.185 4.828 -11.841 1.00 22.45 H new ATOM 0 HG2 MET A 55 7.038 4.271 -10.632 1.00 54.33 H new ATOM 0 HG3 MET A 55 5.834 3.965 -9.396 1.00 54.33 H new ATOM 0 HE1 MET A 55 5.709 0.268 -8.878 1.00 1.11 H new ATOM 0 HE2 MET A 55 4.848 1.825 -8.814 1.00 1.11 H new ATOM 0 HE3 MET A 55 4.670 0.767 -10.234 1.00 1.11 H new ATOM 924 N VAL A 56 3.041 4.328 -8.561 1.00 54.44 N ATOM 925 CA VAL A 56 2.713 5.268 -7.479 1.00 1.31 C ATOM 926 C VAL A 56 3.938 6.097 -7.059 1.00 34.14 C ATOM 927 O VAL A 56 4.935 5.561 -6.581 1.00 23.52 O ATOM 928 CB VAL A 56 2.132 4.534 -6.238 1.00 10.50 C ATOM 929 CG1 VAL A 56 1.819 5.522 -5.111 1.00 11.11 C ATOM 930 CG2 VAL A 56 0.885 3.740 -6.621 1.00 24.44 C ATOM 0 H VAL A 56 2.983 3.344 -8.298 1.00 54.44 H new ATOM 0 HA VAL A 56 1.953 5.942 -7.874 1.00 1.31 H new ATOM 0 HB VAL A 56 2.887 3.837 -5.873 1.00 10.50 H new ATOM 0 HG11 VAL A 56 1.414 4.982 -4.255 1.00 11.11 H new ATOM 0 HG12 VAL A 56 2.733 6.038 -4.815 1.00 11.11 H new ATOM 0 HG13 VAL A 56 1.087 6.251 -5.459 1.00 11.11 H new ATOM 0 HG21 VAL A 56 0.492 3.233 -5.740 1.00 24.44 H new ATOM 0 HG22 VAL A 56 0.129 4.418 -7.017 1.00 24.44 H new ATOM 0 HG23 VAL A 56 1.143 3.001 -7.380 1.00 24.44 H new ATOM 940 N GLN A 57 3.853 7.411 -7.257 1.00 75.43 N ATOM 941 CA GLN A 57 4.936 8.325 -6.881 1.00 60.44 C ATOM 942 C GLN A 57 4.795 8.791 -5.422 1.00 75.41 C ATOM 943 O GLN A 57 3.725 9.215 -4.990 1.00 12.22 O ATOM 944 CB GLN A 57 5.002 9.522 -7.858 1.00 44.21 C ATOM 945 CG GLN A 57 3.661 10.200 -8.172 1.00 21.43 C ATOM 946 CD GLN A 57 3.365 11.412 -7.302 1.00 71.11 C ATOM 947 OE1 GLN A 57 3.752 12.531 -7.623 1.00 4.44 O ATOM 948 NE2 GLN A 57 2.676 11.209 -6.200 1.00 13.42 N ATOM 0 H GLN A 57 3.044 7.870 -7.676 1.00 75.43 H new ATOM 0 HA GLN A 57 5.878 7.782 -6.953 1.00 60.44 H new ATOM 0 HB2 GLN A 57 5.678 10.270 -7.442 1.00 44.21 H new ATOM 0 HB3 GLN A 57 5.443 9.179 -8.794 1.00 44.21 H new ATOM 0 HG2 GLN A 57 3.656 10.506 -9.218 1.00 21.43 H new ATOM 0 HG3 GLN A 57 2.859 9.472 -8.049 1.00 21.43 H new ATOM 0 HE21 GLN A 57 2.367 10.268 -5.958 1.00 13.42 H new ATOM 0 HE22 GLN A 57 2.451 11.993 -5.588 1.00 13.42 H new ATOM 957 N PHE A 58 5.886 8.693 -4.663 1.00 23.35 N ATOM 958 CA PHE A 58 5.880 9.037 -3.234 1.00 23.34 C ATOM 959 C PHE A 58 6.596 10.374 -2.970 1.00 33.33 C ATOM 960 O PHE A 58 6.728 10.802 -1.825 1.00 61.43 O ATOM 961 CB PHE A 58 6.547 7.915 -2.423 1.00 32.54 C ATOM 962 CG PHE A 58 5.882 6.570 -2.590 1.00 65.52 C ATOM 963 CD1 PHE A 58 4.771 6.232 -1.834 1.00 64.42 C ATOM 964 CD2 PHE A 58 6.372 5.645 -3.504 1.00 44.24 C ATOM 965 CE1 PHE A 58 4.160 5.003 -1.984 1.00 20.24 C ATOM 966 CE2 PHE A 58 5.764 4.414 -3.658 1.00 34.33 C ATOM 967 CZ PHE A 58 4.657 4.093 -2.897 1.00 15.23 C ATOM 0 H PHE A 58 6.791 8.377 -5.012 1.00 23.35 H new ATOM 0 HA PHE A 58 4.842 9.147 -2.920 1.00 23.34 H new ATOM 0 HB2 PHE A 58 7.592 7.834 -2.722 1.00 32.54 H new ATOM 0 HB3 PHE A 58 6.538 8.187 -1.367 1.00 32.54 H new ATOM 0 HD1 PHE A 58 4.378 6.939 -1.118 1.00 64.42 H new ATOM 0 HD2 PHE A 58 7.238 5.891 -4.101 1.00 44.24 H new ATOM 0 HE1 PHE A 58 3.294 4.753 -1.388 1.00 20.24 H new ATOM 0 HE2 PHE A 58 6.154 3.704 -4.372 1.00 34.33 H new ATOM 0 HZ PHE A 58 4.180 3.131 -3.016 1.00 15.23 H new ATOM 977 N ASN A 59 7.048 11.031 -4.037 1.00 40.42 N ATOM 978 CA ASN A 59 7.769 12.317 -3.933 1.00 4.44 C ATOM 979 C ASN A 59 6.846 13.508 -3.581 1.00 75.21 C ATOM 980 O ASN A 59 7.094 14.638 -4.004 1.00 70.31 O ATOM 981 CB ASN A 59 8.490 12.597 -5.259 1.00 32.34 C ATOM 982 CG ASN A 59 7.551 12.946 -6.417 1.00 41.14 C ATOM 983 OD1 ASN A 59 7.941 13.634 -7.350 1.00 12.12 O ATOM 984 ND2 ASN A 59 6.308 12.501 -6.366 1.00 34.25 N ATOM 0 H ASN A 59 6.931 10.698 -4.994 1.00 40.42 H new ATOM 0 HA ASN A 59 8.482 12.222 -3.114 1.00 4.44 H new ATOM 0 HB2 ASN A 59 9.191 13.419 -5.113 1.00 32.34 H new ATOM 0 HB3 ASN A 59 9.078 11.721 -5.533 1.00 32.34 H new ATOM 0 HD21 ASN A 59 5.653 12.730 -7.114 1.00 34.25 H new ATOM 0 HD22 ASN A 59 6.003 11.929 -5.579 1.00 34.25 H new ATOM 991 N THR A 60 5.808 13.270 -2.783 1.00 12.23 N ATOM 992 CA THR A 60 4.820 14.317 -2.474 1.00 51.54 C ATOM 993 C THR A 60 4.301 14.231 -1.035 1.00 53.54 C ATOM 994 O THR A 60 4.403 13.194 -0.378 1.00 62.53 O ATOM 995 CB THR A 60 3.608 14.253 -3.435 1.00 43.21 C ATOM 996 OG1 THR A 60 2.618 15.225 -3.059 1.00 12.20 O ATOM 997 CG2 THR A 60 2.982 12.863 -3.434 1.00 22.25 C ATOM 0 H THR A 60 5.624 12.371 -2.338 1.00 12.23 H new ATOM 0 HA THR A 60 5.347 15.263 -2.601 1.00 51.54 H new ATOM 0 HB THR A 60 3.968 14.474 -4.440 1.00 43.21 H new ATOM 0 HG1 THR A 60 1.859 15.174 -3.676 1.00 12.20 H new ATOM 0 HG21 THR A 60 2.133 12.846 -4.117 1.00 22.25 H new ATOM 0 HG22 THR A 60 3.722 12.130 -3.756 1.00 22.25 H new ATOM 0 HG23 THR A 60 2.643 12.617 -2.428 1.00 22.25 H new ATOM 1005 N ASP A 61 3.729 15.336 -0.564 1.00 42.10 N ATOM 1006 CA ASP A 61 3.145 15.415 0.776 1.00 40.03 C ATOM 1007 C ASP A 61 1.812 14.647 0.847 1.00 13.25 C ATOM 1008 O ASP A 61 1.420 14.149 1.903 1.00 64.12 O ATOM 1009 CB ASP A 61 2.938 16.893 1.148 1.00 23.44 C ATOM 1010 CG ASP A 61 2.326 17.081 2.525 1.00 72.25 C ATOM 1011 OD1 ASP A 61 3.074 17.026 3.525 1.00 31.31 O ATOM 1012 OD2 ASP A 61 1.097 17.300 2.615 1.00 41.44 O ATOM 0 H ASP A 61 3.656 16.202 -1.098 1.00 42.10 H new ATOM 0 HA ASP A 61 3.828 14.951 1.488 1.00 40.03 H new ATOM 0 HB2 ASP A 61 3.897 17.409 1.110 1.00 23.44 H new ATOM 0 HB3 ASP A 61 2.294 17.362 0.404 1.00 23.44 H new ATOM 1017 N ARG A 62 1.136 14.541 -0.298 1.00 70.32 N ATOM 1018 CA ARG A 62 -0.178 13.887 -0.376 1.00 24.11 C ATOM 1019 C ARG A 62 -0.076 12.351 -0.287 1.00 11.52 C ATOM 1020 O ARG A 62 -1.071 11.675 -0.034 1.00 5.11 O ATOM 1021 CB ARG A 62 -0.888 14.287 -1.682 1.00 52.41 C ATOM 1022 CG ARG A 62 -1.064 15.794 -1.853 1.00 71.35 C ATOM 1023 CD ARG A 62 -1.792 16.138 -3.153 1.00 32.44 C ATOM 1024 NE ARG A 62 -3.166 15.636 -3.169 1.00 43.21 N ATOM 1025 CZ ARG A 62 -3.793 15.229 -4.244 1.00 61.05 C ATOM 1026 NH1 ARG A 62 -3.209 15.243 -5.403 1.00 62.41 N ATOM 1027 NH2 ARG A 62 -5.015 14.820 -4.156 1.00 55.53 N ATOM 0 H ARG A 62 1.476 14.900 -1.190 1.00 70.32 H new ATOM 0 HA ARG A 62 -0.758 14.226 0.482 1.00 24.11 H new ATOM 0 HB2 ARG A 62 -0.319 13.899 -2.527 1.00 52.41 H new ATOM 0 HB3 ARG A 62 -1.868 13.811 -1.712 1.00 52.41 H new ATOM 0 HG2 ARG A 62 -1.624 16.193 -1.007 1.00 71.35 H new ATOM 0 HG3 ARG A 62 -0.087 16.277 -1.845 1.00 71.35 H new ATOM 0 HD2 ARG A 62 -1.801 17.220 -3.286 1.00 32.44 H new ATOM 0 HD3 ARG A 62 -1.244 15.717 -3.996 1.00 32.44 H new ATOM 0 HE ARG A 62 -3.670 15.601 -2.283 1.00 43.21 H new ATOM 0 HH11 ARG A 62 -2.248 15.574 -5.486 1.00 62.41 H new ATOM 0 HH12 ARG A 62 -3.711 14.923 -6.231 1.00 62.41 H new ATOM 0 HH21 ARG A 62 -5.487 14.815 -3.252 1.00 55.53 H new ATOM 0 HH22 ARG A 62 -5.508 14.502 -4.991 1.00 55.53 H new ATOM 1041 N ILE A 63 1.121 11.803 -0.496 1.00 64.45 N ATOM 1042 CA ILE A 63 1.325 10.344 -0.468 1.00 0.13 C ATOM 1043 C ILE A 63 2.507 9.959 0.437 1.00 11.31 C ATOM 1044 O ILE A 63 3.611 10.480 0.287 1.00 71.01 O ATOM 1045 CB ILE A 63 1.581 9.780 -1.896 1.00 52.15 C ATOM 1046 CG1 ILE A 63 0.397 10.087 -2.832 1.00 54.43 C ATOM 1047 CG2 ILE A 63 1.846 8.274 -1.848 1.00 65.03 C ATOM 1048 CD1 ILE A 63 -0.906 9.432 -2.422 1.00 22.22 C ATOM 0 H ILE A 63 1.966 12.341 -0.687 1.00 64.45 H new ATOM 0 HA ILE A 63 0.409 9.909 -0.067 1.00 0.13 H new ATOM 0 HB ILE A 63 2.468 10.273 -2.294 1.00 52.15 H new ATOM 0 HG12 ILE A 63 0.251 11.166 -2.872 1.00 54.43 H new ATOM 0 HG13 ILE A 63 0.652 9.762 -3.841 1.00 54.43 H new ATOM 0 HG21 ILE A 63 2.022 7.903 -2.858 1.00 65.03 H new ATOM 0 HG22 ILE A 63 2.723 8.078 -1.232 1.00 65.03 H new ATOM 0 HG23 ILE A 63 0.982 7.766 -1.420 1.00 65.03 H new ATOM 0 HD11 ILE A 63 -1.687 9.699 -3.134 1.00 22.22 H new ATOM 0 HD12 ILE A 63 -0.781 8.349 -2.410 1.00 22.22 H new ATOM 0 HD13 ILE A 63 -1.189 9.775 -1.427 1.00 22.22 H new ATOM 1060 N SER A 64 2.272 9.038 1.371 1.00 45.13 N ATOM 1061 CA SER A 64 3.325 8.566 2.290 1.00 12.21 C ATOM 1062 C SER A 64 3.242 7.044 2.502 1.00 43.33 C ATOM 1063 O SER A 64 2.158 6.465 2.465 1.00 52.30 O ATOM 1064 CB SER A 64 3.213 9.285 3.646 1.00 2.32 C ATOM 1065 OG SER A 64 3.350 10.697 3.508 1.00 41.42 O ATOM 0 H SER A 64 1.363 8.599 1.517 1.00 45.13 H new ATOM 0 HA SER A 64 4.289 8.797 1.836 1.00 12.21 H new ATOM 0 HB2 SER A 64 2.249 9.056 4.101 1.00 2.32 H new ATOM 0 HB3 SER A 64 3.982 8.909 4.321 1.00 2.32 H new ATOM 0 HG SER A 64 3.272 11.121 4.388 1.00 41.42 H new ATOM 1071 N LEU A 65 4.390 6.400 2.724 1.00 34.31 N ATOM 1072 CA LEU A 65 4.445 4.940 2.930 1.00 13.30 C ATOM 1073 C LEU A 65 5.507 4.560 3.978 1.00 14.24 C ATOM 1074 O LEU A 65 6.649 5.017 3.905 1.00 12.25 O ATOM 1075 CB LEU A 65 4.757 4.233 1.599 1.00 11.35 C ATOM 1076 CG LEU A 65 4.924 2.703 1.681 1.00 54.31 C ATOM 1077 CD1 LEU A 65 3.608 2.028 2.069 1.00 73.54 C ATOM 1078 CD2 LEU A 65 5.456 2.146 0.360 1.00 3.52 C ATOM 0 H LEU A 65 5.298 6.862 2.767 1.00 34.31 H new ATOM 0 HA LEU A 65 3.471 4.617 3.299 1.00 13.30 H new ATOM 0 HB2 LEU A 65 3.957 4.456 0.893 1.00 11.35 H new ATOM 0 HB3 LEU A 65 5.672 4.659 1.188 1.00 11.35 H new ATOM 0 HG LEU A 65 5.654 2.483 2.460 1.00 54.31 H new ATOM 0 HD11 LEU A 65 3.754 0.949 2.120 1.00 73.54 H new ATOM 0 HD12 LEU A 65 3.283 2.396 3.042 1.00 73.54 H new ATOM 0 HD13 LEU A 65 2.848 2.257 1.322 1.00 73.54 H new ATOM 0 HD21 LEU A 65 5.567 1.065 0.439 1.00 3.52 H new ATOM 0 HD22 LEU A 65 4.756 2.381 -0.442 1.00 3.52 H new ATOM 0 HD23 LEU A 65 6.425 2.595 0.140 1.00 3.52 H new ATOM 1090 N TYR A 66 5.133 3.727 4.952 1.00 33.40 N ATOM 1091 CA TYR A 66 6.093 3.248 5.958 1.00 44.34 C ATOM 1092 C TYR A 66 5.822 1.785 6.358 1.00 10.14 C ATOM 1093 O TYR A 66 4.707 1.278 6.203 1.00 52.41 O ATOM 1094 CB TYR A 66 6.078 4.153 7.203 1.00 52.11 C ATOM 1095 CG TYR A 66 4.899 3.938 8.136 1.00 33.54 C ATOM 1096 CD1 TYR A 66 3.675 4.559 7.909 1.00 25.34 C ATOM 1097 CD2 TYR A 66 5.016 3.113 9.254 1.00 45.11 C ATOM 1098 CE1 TYR A 66 2.606 4.366 8.766 1.00 62.40 C ATOM 1099 CE2 TYR A 66 3.951 2.916 10.112 1.00 73.42 C ATOM 1100 CZ TYR A 66 2.750 3.543 9.866 1.00 2.31 C ATOM 1101 OH TYR A 66 1.686 3.342 10.721 1.00 1.41 O ATOM 0 H TYR A 66 4.184 3.372 5.068 1.00 33.40 H new ATOM 0 HA TYR A 66 7.083 3.290 5.504 1.00 44.34 H new ATOM 0 HB2 TYR A 66 6.999 3.992 7.763 1.00 52.11 H new ATOM 0 HB3 TYR A 66 6.080 5.193 6.878 1.00 52.11 H new ATOM 0 HD1 TYR A 66 3.557 5.202 7.050 1.00 25.34 H new ATOM 0 HD2 TYR A 66 5.956 2.619 9.453 1.00 45.11 H new ATOM 0 HE1 TYR A 66 1.663 4.857 8.576 1.00 62.40 H new ATOM 0 HE2 TYR A 66 4.060 2.273 10.972 1.00 73.42 H new ATOM 0 HH TYR A 66 1.956 2.736 11.442 1.00 1.41 H new ATOM 1111 N GLN A 67 6.855 1.113 6.867 1.00 13.55 N ATOM 1112 CA GLN A 67 6.724 -0.251 7.397 1.00 33.50 C ATOM 1113 C GLN A 67 7.335 -0.345 8.806 1.00 22.31 C ATOM 1114 O GLN A 67 8.224 0.430 9.162 1.00 24.14 O ATOM 1115 CB GLN A 67 7.388 -1.272 6.456 1.00 72.14 C ATOM 1116 CG GLN A 67 8.886 -1.064 6.251 1.00 22.41 C ATOM 1117 CD GLN A 67 9.517 -2.142 5.378 1.00 75.55 C ATOM 1118 OE1 GLN A 67 9.969 -3.171 5.865 1.00 50.22 O ATOM 1119 NE2 GLN A 67 9.558 -1.913 4.079 1.00 65.41 N ATOM 0 H GLN A 67 7.800 1.492 6.925 1.00 13.55 H new ATOM 0 HA GLN A 67 5.662 -0.487 7.462 1.00 33.50 H new ATOM 0 HB2 GLN A 67 7.224 -2.274 6.854 1.00 72.14 H new ATOM 0 HB3 GLN A 67 6.892 -1.229 5.486 1.00 72.14 H new ATOM 0 HG2 GLN A 67 9.054 -0.089 5.794 1.00 22.41 H new ATOM 0 HG3 GLN A 67 9.383 -1.051 7.221 1.00 22.41 H new ATOM 0 HE21 GLN A 67 9.174 -1.047 3.701 1.00 65.41 H new ATOM 0 HE22 GLN A 67 9.974 -2.602 3.453 1.00 65.41 H new ATOM 1128 N ASP A 68 6.850 -1.287 9.611 1.00 73.22 N ATOM 1129 CA ASP A 68 7.323 -1.447 10.993 1.00 12.40 C ATOM 1130 C ASP A 68 8.065 -2.786 11.181 1.00 63.34 C ATOM 1131 O ASP A 68 7.847 -3.741 10.433 1.00 1.22 O ATOM 1132 CB ASP A 68 6.119 -1.366 11.946 1.00 40.14 C ATOM 1133 CG ASP A 68 6.516 -1.180 13.404 1.00 51.42 C ATOM 1134 OD1 ASP A 68 7.079 -2.119 13.998 1.00 41.34 O ATOM 1135 OD2 ASP A 68 6.239 -0.103 13.969 1.00 73.14 O ATOM 0 H ASP A 68 6.129 -1.954 9.335 1.00 73.22 H new ATOM 0 HA ASP A 68 8.029 -0.647 11.218 1.00 12.40 H new ATOM 0 HB2 ASP A 68 5.479 -0.537 11.642 1.00 40.14 H new ATOM 0 HB3 ASP A 68 5.528 -2.277 11.851 1.00 40.14 H new ATOM 1140 N ASN A 69 8.908 -2.859 12.213 1.00 20.52 N ATOM 1141 CA ASN A 69 9.674 -4.075 12.525 1.00 31.35 C ATOM 1142 C ASN A 69 8.759 -5.237 12.955 1.00 70.34 C ATOM 1143 O ASN A 69 9.187 -6.391 13.004 1.00 64.12 O ATOM 1144 CB ASN A 69 10.698 -3.785 13.629 1.00 43.24 C ATOM 1145 CG ASN A 69 11.729 -2.759 13.201 1.00 30.02 C ATOM 1146 OD1 ASN A 69 11.537 -1.558 13.366 1.00 73.33 O ATOM 1147 ND2 ASN A 69 12.831 -3.222 12.651 1.00 72.03 N ATOM 0 H ASN A 69 9.081 -2.085 12.854 1.00 20.52 H new ATOM 0 HA ASN A 69 10.191 -4.378 11.615 1.00 31.35 H new ATOM 0 HB2 ASN A 69 10.179 -3.427 14.518 1.00 43.24 H new ATOM 0 HB3 ASN A 69 11.203 -4.711 13.906 1.00 43.24 H new ATOM 0 HD21 ASN A 69 13.559 -2.576 12.346 1.00 72.03 H new ATOM 0 HD22 ASN A 69 12.957 -4.227 12.529 1.00 72.03 H new ATOM 1154 N THR A 70 7.506 -4.915 13.280 1.00 1.42 N ATOM 1155 CA THR A 70 6.490 -5.928 13.620 1.00 45.23 C ATOM 1156 C THR A 70 5.833 -6.508 12.353 1.00 65.23 C ATOM 1157 O THR A 70 4.920 -7.335 12.428 1.00 53.24 O ATOM 1158 CB THR A 70 5.390 -5.332 14.538 1.00 73.12 C ATOM 1159 OG1 THR A 70 4.513 -6.363 15.023 1.00 34.24 O ATOM 1160 CG2 THR A 70 4.569 -4.279 13.800 1.00 23.23 C ATOM 0 H THR A 70 7.163 -3.955 13.317 1.00 1.42 H new ATOM 0 HA THR A 70 7.004 -6.729 14.152 1.00 45.23 H new ATOM 0 HB THR A 70 5.893 -4.862 15.383 1.00 73.12 H new ATOM 0 HG1 THR A 70 4.374 -7.032 14.320 1.00 34.24 H new ATOM 0 HG21 THR A 70 3.806 -3.879 14.468 1.00 23.23 H new ATOM 0 HG22 THR A 70 5.224 -3.472 13.472 1.00 23.23 H new ATOM 0 HG23 THR A 70 4.090 -4.733 12.933 1.00 23.23 H new ATOM 1168 N GLY A 71 6.304 -6.063 11.183 1.00 32.14 N ATOM 1169 CA GLY A 71 5.756 -6.540 9.916 1.00 55.42 C ATOM 1170 C GLY A 71 4.502 -5.786 9.480 1.00 62.25 C ATOM 1171 O GLY A 71 3.728 -6.278 8.662 1.00 61.33 O ATOM 0 H GLY A 71 7.056 -5.380 11.090 1.00 32.14 H new ATOM 0 HA2 GLY A 71 6.516 -6.446 9.141 1.00 55.42 H new ATOM 0 HA3 GLY A 71 5.521 -7.601 10.006 1.00 55.42 H new ATOM 1175 N ARG A 72 4.299 -4.588 10.027 1.00 63.42 N ATOM 1176 CA ARG A 72 3.122 -3.773 9.697 1.00 3.12 C ATOM 1177 C ARG A 72 3.438 -2.761 8.583 1.00 42.15 C ATOM 1178 O ARG A 72 4.200 -1.816 8.789 1.00 72.04 O ATOM 1179 CB ARG A 72 2.629 -3.032 10.950 1.00 1.50 C ATOM 1180 CG ARG A 72 1.330 -2.251 10.748 1.00 41.40 C ATOM 1181 CD ARG A 72 0.931 -1.479 12.006 1.00 35.11 C ATOM 1182 NE ARG A 72 -0.344 -0.775 11.848 1.00 4.45 N ATOM 1183 CZ ARG A 72 -0.709 0.259 12.561 1.00 61.23 C ATOM 1184 NH1 ARG A 72 0.093 0.781 13.436 1.00 25.23 N ATOM 1185 NH2 ARG A 72 -1.874 0.786 12.380 1.00 64.42 N ATOM 0 H ARG A 72 4.932 -4.157 10.701 1.00 63.42 H new ATOM 0 HA ARG A 72 2.339 -4.441 9.337 1.00 3.12 H new ATOM 0 HB2 ARG A 72 2.483 -3.756 11.752 1.00 1.50 H new ATOM 0 HB3 ARG A 72 3.406 -2.343 11.280 1.00 1.50 H new ATOM 0 HG2 ARG A 72 1.449 -1.556 9.917 1.00 41.40 H new ATOM 0 HG3 ARG A 72 0.530 -2.940 10.475 1.00 41.40 H new ATOM 0 HD2 ARG A 72 0.860 -2.170 12.846 1.00 35.11 H new ATOM 0 HD3 ARG A 72 1.712 -0.760 12.251 1.00 35.11 H new ATOM 0 HE ARG A 72 -0.990 -1.114 11.135 1.00 4.45 H new ATOM 0 HH11 ARG A 72 1.023 0.385 13.576 1.00 25.23 H new ATOM 0 HH12 ARG A 72 -0.206 1.587 13.985 1.00 25.23 H new ATOM 0 HH21 ARG A 72 -2.507 0.396 11.682 1.00 64.42 H new ATOM 0 HH22 ARG A 72 -2.161 1.592 12.935 1.00 64.42 H new ATOM 1199 N VAL A 73 2.856 -2.973 7.405 1.00 14.43 N ATOM 1200 CA VAL A 73 3.002 -2.043 6.277 1.00 22.01 C ATOM 1201 C VAL A 73 1.776 -1.125 6.182 1.00 70.35 C ATOM 1202 O VAL A 73 0.643 -1.597 6.248 1.00 2.04 O ATOM 1203 CB VAL A 73 3.172 -2.806 4.940 1.00 3.33 C ATOM 1204 CG1 VAL A 73 3.258 -1.837 3.762 1.00 3.25 C ATOM 1205 CG2 VAL A 73 4.403 -3.711 4.988 1.00 54.04 C ATOM 0 H VAL A 73 2.274 -3.785 7.202 1.00 14.43 H new ATOM 0 HA VAL A 73 3.896 -1.445 6.455 1.00 22.01 H new ATOM 0 HB VAL A 73 2.292 -3.432 4.795 1.00 3.33 H new ATOM 0 HG11 VAL A 73 3.377 -2.400 2.836 1.00 3.25 H new ATOM 0 HG12 VAL A 73 2.345 -1.244 3.711 1.00 3.25 H new ATOM 0 HG13 VAL A 73 4.113 -1.175 3.897 1.00 3.25 H new ATOM 0 HG21 VAL A 73 4.504 -4.238 4.039 1.00 54.04 H new ATOM 0 HG22 VAL A 73 5.293 -3.106 5.164 1.00 54.04 H new ATOM 0 HG23 VAL A 73 4.291 -4.435 5.795 1.00 54.04 H new ATOM 1215 N THR A 74 1.996 0.182 6.039 1.00 40.11 N ATOM 1216 CA THR A 74 0.884 1.145 5.985 1.00 54.44 C ATOM 1217 C THR A 74 1.083 2.215 4.903 1.00 51.12 C ATOM 1218 O THR A 74 2.081 2.940 4.903 1.00 51.02 O ATOM 1219 CB THR A 74 0.684 1.854 7.347 1.00 61.21 C ATOM 1220 OG1 THR A 74 0.509 0.884 8.393 1.00 34.22 O ATOM 1221 CG2 THR A 74 -0.526 2.787 7.315 1.00 53.21 C ATOM 0 H THR A 74 2.923 0.600 5.959 1.00 40.11 H new ATOM 0 HA THR A 74 -0.001 0.559 5.738 1.00 54.44 H new ATOM 0 HB THR A 74 1.576 2.448 7.544 1.00 61.21 H new ATOM 0 HG1 THR A 74 0.385 1.345 9.249 1.00 34.22 H new ATOM 0 HG21 THR A 74 -0.639 3.269 8.286 1.00 53.21 H new ATOM 0 HG22 THR A 74 -0.379 3.547 6.547 1.00 53.21 H new ATOM 0 HG23 THR A 74 -1.424 2.211 7.089 1.00 53.21 H new ATOM 1229 N LEU A 75 0.123 2.301 3.986 1.00 62.11 N ATOM 1230 CA LEU A 75 0.094 3.352 2.965 1.00 2.31 C ATOM 1231 C LEU A 75 -0.861 4.486 3.384 1.00 13.13 C ATOM 1232 O LEU A 75 -2.025 4.242 3.711 1.00 65.50 O ATOM 1233 CB LEU A 75 -0.350 2.767 1.615 1.00 33.42 C ATOM 1234 CG LEU A 75 -0.389 3.766 0.443 1.00 32.24 C ATOM 1235 CD1 LEU A 75 1.012 4.287 0.111 1.00 33.53 C ATOM 1236 CD2 LEU A 75 -1.036 3.138 -0.790 1.00 62.53 C ATOM 0 H LEU A 75 -0.657 1.646 3.927 1.00 62.11 H new ATOM 0 HA LEU A 75 1.099 3.761 2.863 1.00 2.31 H new ATOM 0 HB2 LEU A 75 0.324 1.951 1.353 1.00 33.42 H new ATOM 0 HB3 LEU A 75 -1.343 2.334 1.735 1.00 33.42 H new ATOM 0 HG LEU A 75 -0.999 4.615 0.754 1.00 32.24 H new ATOM 0 HD11 LEU A 75 0.951 4.990 -0.720 1.00 33.53 H new ATOM 0 HD12 LEU A 75 1.429 4.791 0.983 1.00 33.53 H new ATOM 0 HD13 LEU A 75 1.655 3.451 -0.167 1.00 33.53 H new ATOM 0 HD21 LEU A 75 -1.051 3.864 -1.603 1.00 62.53 H new ATOM 0 HD22 LEU A 75 -0.463 2.263 -1.096 1.00 62.53 H new ATOM 0 HD23 LEU A 75 -2.057 2.838 -0.552 1.00 62.53 H new ATOM 1248 N LEU A 76 -0.368 5.721 3.372 1.00 33.52 N ATOM 1249 CA LEU A 76 -1.160 6.886 3.784 1.00 4.01 C ATOM 1250 C LEU A 76 -1.457 7.807 2.591 1.00 23.12 C ATOM 1251 O LEU A 76 -0.543 8.376 1.989 1.00 62.35 O ATOM 1252 CB LEU A 76 -0.410 7.674 4.871 1.00 60.01 C ATOM 1253 CG LEU A 76 -0.063 6.879 6.140 1.00 24.43 C ATOM 1254 CD1 LEU A 76 0.744 7.738 7.112 1.00 2.05 C ATOM 1255 CD2 LEU A 76 -1.331 6.355 6.809 1.00 30.44 C ATOM 0 H LEU A 76 0.583 5.946 3.080 1.00 33.52 H new ATOM 0 HA LEU A 76 -2.108 6.524 4.182 1.00 4.01 H new ATOM 0 HB2 LEU A 76 0.514 8.063 4.442 1.00 60.01 H new ATOM 0 HB3 LEU A 76 -1.016 8.534 5.156 1.00 60.01 H new ATOM 0 HG LEU A 76 0.550 6.025 5.851 1.00 24.43 H new ATOM 0 HD11 LEU A 76 0.979 7.156 8.003 1.00 2.05 H new ATOM 0 HD12 LEU A 76 1.669 8.058 6.633 1.00 2.05 H new ATOM 0 HD13 LEU A 76 0.160 8.614 7.394 1.00 2.05 H new ATOM 0 HD21 LEU A 76 -1.065 5.795 7.705 1.00 30.44 H new ATOM 0 HD22 LEU A 76 -1.972 7.194 7.082 1.00 30.44 H new ATOM 0 HD23 LEU A 76 -1.864 5.702 6.118 1.00 30.44 H new ATOM 1267 N ILE A 77 -2.738 7.947 2.254 1.00 72.54 N ATOM 1268 CA ILE A 77 -3.160 8.821 1.152 1.00 60.31 C ATOM 1269 C ILE A 77 -3.920 10.048 1.687 1.00 25.42 C ATOM 1270 O ILE A 77 -4.950 9.918 2.349 1.00 24.43 O ATOM 1271 CB ILE A 77 -4.042 8.052 0.134 1.00 60.02 C ATOM 1272 CG1 ILE A 77 -3.291 6.812 -0.385 1.00 55.20 C ATOM 1273 CG2 ILE A 77 -4.458 8.962 -1.023 1.00 62.23 C ATOM 1274 CD1 ILE A 77 -4.089 5.956 -1.344 1.00 74.52 C ATOM 0 H ILE A 77 -3.505 7.468 2.726 1.00 72.54 H new ATOM 0 HA ILE A 77 -2.261 9.162 0.639 1.00 60.31 H new ATOM 0 HB ILE A 77 -4.949 7.722 0.640 1.00 60.02 H new ATOM 0 HG12 ILE A 77 -2.377 7.137 -0.881 1.00 55.20 H new ATOM 0 HG13 ILE A 77 -2.992 6.201 0.466 1.00 55.20 H new ATOM 0 HG21 ILE A 77 -5.076 8.400 -1.724 1.00 62.23 H new ATOM 0 HG22 ILE A 77 -5.026 9.807 -0.635 1.00 62.23 H new ATOM 0 HG23 ILE A 77 -3.569 9.328 -1.536 1.00 62.23 H new ATOM 0 HD11 ILE A 77 -3.486 5.105 -1.660 1.00 74.52 H new ATOM 0 HD12 ILE A 77 -4.991 5.597 -0.848 1.00 74.52 H new ATOM 0 HD13 ILE A 77 -4.366 6.548 -2.216 1.00 74.52 H new ATOM 1286 N LYS A 78 -3.398 11.234 1.389 1.00 43.43 N ATOM 1287 CA LYS A 78 -3.912 12.496 1.940 1.00 53.12 C ATOM 1288 C LYS A 78 -4.573 13.375 0.869 1.00 32.12 C ATOM 1289 O LYS A 78 -4.122 13.412 -0.278 1.00 10.02 O ATOM 1290 CB LYS A 78 -2.752 13.282 2.563 1.00 70.12 C ATOM 1291 CG LYS A 78 -2.119 12.626 3.785 1.00 53.30 C ATOM 1292 CD LYS A 78 -0.801 13.305 4.151 1.00 64.11 C ATOM 1293 CE LYS A 78 -0.343 12.963 5.564 1.00 3.34 C ATOM 1294 NZ LYS A 78 -1.214 13.591 6.593 1.00 75.01 N ATOM 0 H LYS A 78 -2.605 11.354 0.758 1.00 43.43 H new ATOM 0 HA LYS A 78 -4.667 12.243 2.684 1.00 53.12 H new ATOM 0 HB2 LYS A 78 -1.982 13.427 1.806 1.00 70.12 H new ATOM 0 HB3 LYS A 78 -3.112 14.272 2.845 1.00 70.12 H new ATOM 0 HG2 LYS A 78 -2.807 12.681 4.629 1.00 53.30 H new ATOM 0 HG3 LYS A 78 -1.944 11.569 3.585 1.00 53.30 H new ATOM 0 HD2 LYS A 78 -0.031 13.005 3.440 1.00 64.11 H new ATOM 0 HD3 LYS A 78 -0.915 14.385 4.060 1.00 64.11 H new ATOM 0 HE2 LYS A 78 -0.347 11.881 5.696 1.00 3.34 H new ATOM 0 HE3 LYS A 78 0.685 13.298 5.704 1.00 3.34 H new ATOM 0 HZ1 LYS A 78 -0.748 13.539 7.521 1.00 75.01 H new ATOM 0 HZ2 LYS A 78 -1.382 14.587 6.345 1.00 75.01 H new ATOM 0 HZ3 LYS A 78 -2.123 13.087 6.634 1.00 75.01 H new ATOM 1308 N ASP A 79 -5.646 14.080 1.257 1.00 64.04 N ATOM 1309 CA ASP A 79 -6.233 15.140 0.423 1.00 11.04 C ATOM 1310 C ASP A 79 -6.587 14.614 -0.987 1.00 50.30 C ATOM 1311 O ASP A 79 -6.474 15.327 -1.984 1.00 51.43 O ATOM 1312 CB ASP A 79 -5.231 16.309 0.361 1.00 13.12 C ATOM 1313 CG ASP A 79 -5.813 17.590 -0.208 1.00 55.11 C ATOM 1314 OD1 ASP A 79 -6.784 18.121 0.373 1.00 70.11 O ATOM 1315 OD2 ASP A 79 -5.274 18.100 -1.213 1.00 44.13 O ATOM 0 H ASP A 79 -6.126 13.935 2.145 1.00 64.04 H new ATOM 0 HA ASP A 79 -7.169 15.485 0.863 1.00 11.04 H new ATOM 0 HB2 ASP A 79 -4.856 16.507 1.365 1.00 13.12 H new ATOM 0 HB3 ASP A 79 -4.376 16.010 -0.245 1.00 13.12 H new ATOM 1320 N VAL A 80 -7.044 13.365 -1.048 1.00 12.24 N ATOM 1321 CA VAL A 80 -7.283 12.670 -2.322 1.00 35.43 C ATOM 1322 C VAL A 80 -8.576 13.145 -3.016 1.00 4.24 C ATOM 1323 O VAL A 80 -9.577 13.433 -2.359 1.00 64.02 O ATOM 1324 CB VAL A 80 -7.346 11.135 -2.091 1.00 62.20 C ATOM 1325 CG1 VAL A 80 -8.613 10.738 -1.346 1.00 65.44 C ATOM 1326 CG2 VAL A 80 -7.235 10.369 -3.402 1.00 52.12 C ATOM 0 H VAL A 80 -7.260 12.804 -0.224 1.00 12.24 H new ATOM 0 HA VAL A 80 -6.448 12.912 -2.980 1.00 35.43 H new ATOM 0 HB VAL A 80 -6.490 10.868 -1.471 1.00 62.20 H new ATOM 0 HG11 VAL A 80 -8.626 9.658 -1.201 1.00 65.44 H new ATOM 0 HG12 VAL A 80 -8.636 11.235 -0.376 1.00 65.44 H new ATOM 0 HG13 VAL A 80 -9.485 11.036 -1.927 1.00 65.44 H new ATOM 0 HG21 VAL A 80 -7.283 9.298 -3.203 1.00 52.12 H new ATOM 0 HG22 VAL A 80 -8.056 10.653 -4.060 1.00 52.12 H new ATOM 0 HG23 VAL A 80 -6.286 10.607 -3.883 1.00 52.12 H new ATOM 1336 N ASN A 81 -8.542 13.242 -4.345 1.00 34.41 N ATOM 1337 CA ASN A 81 -9.732 13.606 -5.131 1.00 22.31 C ATOM 1338 C ASN A 81 -10.082 12.526 -6.176 1.00 1.14 C ATOM 1339 O ASN A 81 -9.394 11.511 -6.288 1.00 54.14 O ATOM 1340 CB ASN A 81 -9.544 14.977 -5.799 1.00 40.13 C ATOM 1341 CG ASN A 81 -8.212 15.114 -6.507 1.00 52.50 C ATOM 1342 OD1 ASN A 81 -7.240 15.606 -5.943 1.00 74.40 O ATOM 1343 ND2 ASN A 81 -8.151 14.676 -7.746 1.00 4.43 N ATOM 0 H ASN A 81 -7.706 13.075 -4.904 1.00 34.41 H new ATOM 0 HA ASN A 81 -10.573 13.672 -4.441 1.00 22.31 H new ATOM 0 HB2 ASN A 81 -10.349 15.139 -6.516 1.00 40.13 H new ATOM 0 HB3 ASN A 81 -9.629 15.758 -5.043 1.00 40.13 H new ATOM 0 HD21 ASN A 81 -7.277 14.740 -8.267 1.00 4.43 H new ATOM 0 HD22 ASN A 81 -8.978 14.272 -8.185 1.00 4.43 H new ATOM 1350 N LYS A 82 -11.155 12.759 -6.940 1.00 34.51 N ATOM 1351 CA LYS A 82 -11.686 11.760 -7.895 1.00 33.23 C ATOM 1352 C LYS A 82 -10.608 11.177 -8.827 1.00 24.41 C ATOM 1353 O LYS A 82 -10.516 9.957 -9.001 1.00 14.42 O ATOM 1354 CB LYS A 82 -12.810 12.382 -8.739 1.00 74.42 C ATOM 1355 CG LYS A 82 -14.034 12.793 -7.925 1.00 71.13 C ATOM 1356 CD LYS A 82 -14.830 11.592 -7.425 1.00 11.13 C ATOM 1357 CE LYS A 82 -15.559 10.885 -8.561 1.00 32.14 C ATOM 1358 NZ LYS A 82 -16.347 9.717 -8.082 1.00 73.32 N ATOM 0 H LYS A 82 -11.680 13.633 -6.920 1.00 34.51 H new ATOM 0 HA LYS A 82 -12.071 10.935 -7.296 1.00 33.23 H new ATOM 0 HB2 LYS A 82 -12.420 13.257 -9.259 1.00 74.42 H new ATOM 0 HB3 LYS A 82 -13.116 11.668 -9.503 1.00 74.42 H new ATOM 0 HG2 LYS A 82 -13.715 13.394 -7.073 1.00 71.13 H new ATOM 0 HG3 LYS A 82 -14.679 13.424 -8.537 1.00 71.13 H new ATOM 0 HD2 LYS A 82 -14.158 10.890 -6.932 1.00 11.13 H new ATOM 0 HD3 LYS A 82 -15.553 11.920 -6.678 1.00 11.13 H new ATOM 0 HE2 LYS A 82 -16.224 11.591 -9.058 1.00 32.14 H new ATOM 0 HE3 LYS A 82 -14.834 10.552 -9.304 1.00 32.14 H new ATOM 0 HZ1 LYS A 82 -16.257 8.935 -8.762 1.00 73.32 H new ATOM 0 HZ2 LYS A 82 -15.988 9.413 -7.155 1.00 73.32 H new ATOM 0 HZ3 LYS A 82 -17.348 9.986 -7.994 1.00 73.32 H new ATOM 1372 N LYS A 83 -9.805 12.051 -9.428 1.00 43.12 N ATOM 1373 CA LYS A 83 -8.766 11.639 -10.386 1.00 51.41 C ATOM 1374 C LYS A 83 -7.628 10.828 -9.739 1.00 2.13 C ATOM 1375 O LYS A 83 -6.792 10.262 -10.442 1.00 24.03 O ATOM 1376 CB LYS A 83 -8.198 12.870 -11.110 1.00 63.12 C ATOM 1377 CG LYS A 83 -9.188 13.518 -12.073 1.00 31.44 C ATOM 1378 CD LYS A 83 -9.597 12.551 -13.181 1.00 11.42 C ATOM 1379 CE LYS A 83 -10.649 13.148 -14.103 1.00 33.32 C ATOM 1380 NZ LYS A 83 -11.056 12.188 -15.163 1.00 11.32 N ATOM 0 H LYS A 83 -9.850 13.058 -9.271 1.00 43.12 H new ATOM 0 HA LYS A 83 -9.248 10.976 -11.104 1.00 51.41 H new ATOM 0 HB2 LYS A 83 -7.888 13.607 -10.369 1.00 63.12 H new ATOM 0 HB3 LYS A 83 -7.305 12.578 -11.662 1.00 63.12 H new ATOM 0 HG2 LYS A 83 -10.073 13.842 -11.525 1.00 31.44 H new ATOM 0 HG3 LYS A 83 -8.741 14.410 -12.512 1.00 31.44 H new ATOM 0 HD2 LYS A 83 -8.718 12.277 -13.764 1.00 11.42 H new ATOM 0 HD3 LYS A 83 -9.984 11.634 -12.737 1.00 11.42 H new ATOM 0 HE2 LYS A 83 -11.523 13.438 -13.519 1.00 33.32 H new ATOM 0 HE3 LYS A 83 -10.258 14.055 -14.564 1.00 33.32 H new ATOM 0 HZ1 LYS A 83 -11.774 12.628 -15.773 1.00 11.32 H new ATOM 0 HZ2 LYS A 83 -10.227 11.930 -15.735 1.00 11.32 H new ATOM 0 HZ3 LYS A 83 -11.452 11.333 -14.723 1.00 11.32 H new ATOM 1394 N ASP A 84 -7.595 10.760 -8.410 1.00 63.51 N ATOM 1395 CA ASP A 84 -6.547 10.008 -7.713 1.00 41.02 C ATOM 1396 C ASP A 84 -7.005 8.587 -7.339 1.00 63.11 C ATOM 1397 O ASP A 84 -6.220 7.795 -6.807 1.00 21.52 O ATOM 1398 CB ASP A 84 -6.102 10.753 -6.452 1.00 53.22 C ATOM 1399 CG ASP A 84 -5.640 12.171 -6.736 1.00 22.34 C ATOM 1400 OD1 ASP A 84 -4.913 12.386 -7.732 1.00 73.14 O ATOM 1401 OD2 ASP A 84 -6.001 13.080 -5.968 1.00 22.32 O ATOM 0 H ASP A 84 -8.274 11.211 -7.796 1.00 63.51 H new ATOM 0 HA ASP A 84 -5.707 9.919 -8.402 1.00 41.02 H new ATOM 0 HB2 ASP A 84 -6.928 10.781 -5.742 1.00 53.22 H new ATOM 0 HB3 ASP A 84 -5.292 10.200 -5.977 1.00 53.22 H new ATOM 1406 N ALA A 85 -8.265 8.258 -7.620 1.00 40.35 N ATOM 1407 CA ALA A 85 -8.804 6.939 -7.270 1.00 40.12 C ATOM 1408 C ALA A 85 -8.494 5.881 -8.343 1.00 72.33 C ATOM 1409 O ALA A 85 -8.494 6.168 -9.545 1.00 5.54 O ATOM 1410 CB ALA A 85 -10.310 7.034 -7.047 1.00 44.14 C ATOM 0 H ALA A 85 -8.929 8.878 -8.085 1.00 40.35 H new ATOM 0 HA ALA A 85 -8.316 6.620 -6.349 1.00 40.12 H new ATOM 0 HB1 ALA A 85 -10.702 6.051 -6.788 1.00 44.14 H new ATOM 0 HB2 ALA A 85 -10.514 7.732 -6.235 1.00 44.14 H new ATOM 0 HB3 ALA A 85 -10.791 7.388 -7.959 1.00 44.14 H new ATOM 1416 N GLY A 86 -8.241 4.654 -7.893 1.00 44.10 N ATOM 1417 CA GLY A 86 -7.965 3.542 -8.801 1.00 71.34 C ATOM 1418 C GLY A 86 -7.669 2.238 -8.057 1.00 4.23 C ATOM 1419 O GLY A 86 -7.763 2.179 -6.826 1.00 3.21 O ATOM 0 H GLY A 86 -8.221 4.404 -6.904 1.00 44.10 H new ATOM 0 HA2 GLY A 86 -8.820 3.394 -9.460 1.00 71.34 H new ATOM 0 HA3 GLY A 86 -7.115 3.796 -9.434 1.00 71.34 H new ATOM 1423 N TRP A 87 -7.309 1.192 -8.797 1.00 14.12 N ATOM 1424 CA TRP A 87 -6.874 -0.079 -8.196 1.00 62.41 C ATOM 1425 C TRP A 87 -5.375 -0.060 -7.853 1.00 55.23 C ATOM 1426 O TRP A 87 -4.531 0.119 -8.727 1.00 33.32 O ATOM 1427 CB TRP A 87 -7.170 -1.254 -9.143 1.00 2.41 C ATOM 1428 CG TRP A 87 -8.570 -1.780 -9.033 1.00 12.12 C ATOM 1429 CD1 TRP A 87 -9.680 -1.318 -9.676 1.00 54.42 C ATOM 1430 CD2 TRP A 87 -9.002 -2.880 -8.225 1.00 44.12 C ATOM 1431 NE1 TRP A 87 -10.778 -2.062 -9.315 1.00 41.41 N ATOM 1432 CE2 TRP A 87 -10.386 -3.030 -8.426 1.00 14.40 C ATOM 1433 CE3 TRP A 87 -8.350 -3.752 -7.349 1.00 41.12 C ATOM 1434 CZ2 TRP A 87 -11.129 -4.018 -7.785 1.00 10.50 C ATOM 1435 CZ3 TRP A 87 -9.087 -4.733 -6.714 1.00 41.03 C ATOM 1436 CH2 TRP A 87 -10.464 -4.859 -6.933 1.00 31.04 C ATOM 0 H TRP A 87 -7.308 1.194 -9.817 1.00 14.12 H new ATOM 0 HA TRP A 87 -7.436 -0.208 -7.271 1.00 62.41 H new ATOM 0 HB2 TRP A 87 -6.991 -0.935 -10.170 1.00 2.41 H new ATOM 0 HB3 TRP A 87 -6.470 -2.063 -8.934 1.00 2.41 H new ATOM 0 HD1 TRP A 87 -9.694 -0.489 -10.368 1.00 54.42 H new ATOM 0 HE1 TRP A 87 -11.729 -1.918 -9.653 1.00 41.41 H new ATOM 0 HE3 TRP A 87 -7.289 -3.661 -7.171 1.00 41.12 H new ATOM 0 HZ2 TRP A 87 -12.191 -4.117 -7.954 1.00 10.50 H new ATOM 0 HZ3 TRP A 87 -8.593 -5.414 -6.037 1.00 41.03 H new ATOM 0 HH2 TRP A 87 -11.013 -5.635 -6.420 1.00 31.04 H new ATOM 1447 N TYR A 88 -5.057 -0.250 -6.576 1.00 11.33 N ATOM 1448 CA TYR A 88 -3.665 -0.329 -6.115 1.00 25.31 C ATOM 1449 C TYR A 88 -3.186 -1.789 -6.032 1.00 13.21 C ATOM 1450 O TYR A 88 -3.976 -2.713 -5.844 1.00 60.42 O ATOM 1451 CB TYR A 88 -3.521 0.337 -4.735 1.00 21.44 C ATOM 1452 CG TYR A 88 -3.673 1.844 -4.754 1.00 62.34 C ATOM 1453 CD1 TYR A 88 -4.930 2.440 -4.792 1.00 2.43 C ATOM 1454 CD2 TYR A 88 -2.555 2.674 -4.738 1.00 61.10 C ATOM 1455 CE1 TYR A 88 -5.067 3.815 -4.814 1.00 14.30 C ATOM 1456 CE2 TYR A 88 -2.687 4.047 -4.758 1.00 54.43 C ATOM 1457 CZ TYR A 88 -3.944 4.613 -4.797 1.00 31.44 C ATOM 1458 OH TYR A 88 -4.078 5.983 -4.826 1.00 5.13 O ATOM 0 H TYR A 88 -5.748 -0.353 -5.832 1.00 11.33 H new ATOM 0 HA TYR A 88 -3.046 0.198 -6.841 1.00 25.31 H new ATOM 0 HB2 TYR A 88 -4.267 -0.084 -4.061 1.00 21.44 H new ATOM 0 HB3 TYR A 88 -2.543 0.087 -4.324 1.00 21.44 H new ATOM 0 HD1 TYR A 88 -5.813 1.818 -4.804 1.00 2.43 H new ATOM 0 HD2 TYR A 88 -1.568 2.236 -4.709 1.00 61.10 H new ATOM 0 HE1 TYR A 88 -6.050 4.262 -4.844 1.00 14.30 H new ATOM 0 HE2 TYR A 88 -1.809 4.676 -4.743 1.00 54.43 H new ATOM 0 HH TYR A 88 -3.191 6.399 -4.808 1.00 5.13 H new ATOM 1468 N THR A 89 -1.885 -1.990 -6.190 1.00 34.41 N ATOM 1469 CA THR A 89 -1.283 -3.326 -6.072 1.00 42.34 C ATOM 1470 C THR A 89 0.047 -3.261 -5.314 1.00 65.03 C ATOM 1471 O THR A 89 0.976 -2.570 -5.737 1.00 11.32 O ATOM 1472 CB THR A 89 -1.044 -3.973 -7.461 1.00 64.14 C ATOM 1473 OG1 THR A 89 -2.294 -4.151 -8.150 1.00 40.13 O ATOM 1474 CG2 THR A 89 -0.340 -5.321 -7.336 1.00 62.23 C ATOM 0 H THR A 89 -1.218 -1.247 -6.401 1.00 34.41 H new ATOM 0 HA THR A 89 -1.990 -3.942 -5.517 1.00 42.34 H new ATOM 0 HB THR A 89 -0.403 -3.300 -8.030 1.00 64.14 H new ATOM 0 HG1 THR A 89 -2.130 -4.559 -9.026 1.00 40.13 H new ATOM 0 HG21 THR A 89 -0.189 -5.746 -8.328 1.00 62.23 H new ATOM 0 HG22 THR A 89 0.625 -5.184 -6.849 1.00 62.23 H new ATOM 0 HG23 THR A 89 -0.953 -5.998 -6.741 1.00 62.23 H new ATOM 1482 N VAL A 90 0.127 -3.983 -4.197 1.00 4.10 N ATOM 1483 CA VAL A 90 1.335 -4.001 -3.365 1.00 53.34 C ATOM 1484 C VAL A 90 2.189 -5.254 -3.619 1.00 1.31 C ATOM 1485 O VAL A 90 1.741 -6.387 -3.424 1.00 52.20 O ATOM 1486 CB VAL A 90 0.983 -3.902 -1.853 1.00 0.04 C ATOM 1487 CG1 VAL A 90 -0.023 -4.979 -1.443 1.00 3.32 C ATOM 1488 CG2 VAL A 90 2.245 -3.975 -0.991 1.00 53.13 C ATOM 0 H VAL A 90 -0.632 -4.566 -3.844 1.00 4.10 H new ATOM 0 HA VAL A 90 1.920 -3.126 -3.649 1.00 53.34 H new ATOM 0 HB VAL A 90 0.515 -2.932 -1.686 1.00 0.04 H new ATOM 0 HG11 VAL A 90 -0.247 -4.882 -0.381 1.00 3.32 H new ATOM 0 HG12 VAL A 90 -0.940 -4.859 -2.020 1.00 3.32 H new ATOM 0 HG13 VAL A 90 0.401 -5.965 -1.636 1.00 3.32 H new ATOM 0 HG21 VAL A 90 1.971 -3.904 0.062 1.00 53.13 H new ATOM 0 HG22 VAL A 90 2.754 -4.922 -1.170 1.00 53.13 H new ATOM 0 HG23 VAL A 90 2.910 -3.151 -1.250 1.00 53.13 H new ATOM 1498 N SER A 91 3.424 -5.041 -4.063 1.00 61.22 N ATOM 1499 CA SER A 91 4.370 -6.139 -4.302 1.00 22.14 C ATOM 1500 C SER A 91 5.573 -6.042 -3.360 1.00 60.13 C ATOM 1501 O SER A 91 6.368 -5.108 -3.450 1.00 75.21 O ATOM 1502 CB SER A 91 4.857 -6.130 -5.759 1.00 72.15 C ATOM 1503 OG SER A 91 3.793 -6.382 -6.665 1.00 5.43 O ATOM 0 H SER A 91 3.800 -4.115 -4.267 1.00 61.22 H new ATOM 0 HA SER A 91 3.845 -7.074 -4.107 1.00 22.14 H new ATOM 0 HB2 SER A 91 5.309 -5.165 -5.987 1.00 72.15 H new ATOM 0 HB3 SER A 91 5.633 -6.884 -5.889 1.00 72.15 H new ATOM 0 HG SER A 91 4.135 -6.368 -7.583 1.00 5.43 H new ATOM 1509 N ALA A 92 5.697 -7.003 -2.450 1.00 70.23 N ATOM 1510 CA ALA A 92 6.828 -7.052 -1.520 1.00 12.14 C ATOM 1511 C ALA A 92 7.862 -8.096 -1.966 1.00 44.33 C ATOM 1512 O ALA A 92 7.581 -9.298 -1.973 1.00 41.12 O ATOM 1513 CB ALA A 92 6.332 -7.369 -0.112 1.00 0.24 C ATOM 0 H ALA A 92 5.027 -7.763 -2.334 1.00 70.23 H new ATOM 0 HA ALA A 92 7.312 -6.076 -1.517 1.00 12.14 H new ATOM 0 HB1 ALA A 92 7.179 -7.404 0.573 1.00 0.24 H new ATOM 0 HB2 ALA A 92 5.635 -6.595 0.211 1.00 0.24 H new ATOM 0 HB3 ALA A 92 5.827 -8.335 -0.113 1.00 0.24 H new ATOM 1519 N VAL A 93 9.061 -7.643 -2.328 1.00 34.44 N ATOM 1520 CA VAL A 93 10.107 -8.550 -2.810 1.00 21.10 C ATOM 1521 C VAL A 93 11.297 -8.635 -1.836 1.00 72.22 C ATOM 1522 O VAL A 93 11.986 -7.648 -1.567 1.00 44.40 O ATOM 1523 CB VAL A 93 10.603 -8.149 -4.226 1.00 72.34 C ATOM 1524 CG1 VAL A 93 11.155 -6.727 -4.244 1.00 20.45 C ATOM 1525 CG2 VAL A 93 11.637 -9.150 -4.744 1.00 31.50 C ATOM 0 H VAL A 93 9.334 -6.661 -2.298 1.00 34.44 H new ATOM 0 HA VAL A 93 9.652 -9.539 -2.869 1.00 21.10 H new ATOM 0 HB VAL A 93 9.744 -8.172 -4.897 1.00 72.34 H new ATOM 0 HG11 VAL A 93 11.493 -6.481 -5.251 1.00 20.45 H new ATOM 0 HG12 VAL A 93 10.374 -6.030 -3.942 1.00 20.45 H new ATOM 0 HG13 VAL A 93 11.994 -6.653 -3.552 1.00 20.45 H new ATOM 0 HG21 VAL A 93 11.970 -8.848 -5.737 1.00 31.50 H new ATOM 0 HG22 VAL A 93 12.491 -9.174 -4.067 1.00 31.50 H new ATOM 0 HG23 VAL A 93 11.188 -10.142 -4.797 1.00 31.50 H new ATOM 1535 N ASN A 94 11.505 -9.829 -1.299 1.00 4.11 N ATOM 1536 CA ASN A 94 12.629 -10.120 -0.401 1.00 65.43 C ATOM 1537 C ASN A 94 13.640 -11.051 -1.092 1.00 1.22 C ATOM 1538 O ASN A 94 13.278 -11.806 -1.996 1.00 32.30 O ATOM 1539 CB ASN A 94 12.082 -10.749 0.890 1.00 24.51 C ATOM 1540 CG ASN A 94 13.144 -11.415 1.746 1.00 21.34 C ATOM 1541 OD1 ASN A 94 13.387 -12.605 1.627 1.00 63.34 O ATOM 1542 ND2 ASN A 94 13.789 -10.658 2.602 1.00 30.40 N ATOM 0 H ASN A 94 10.899 -10.631 -1.471 1.00 4.11 H new ATOM 0 HA ASN A 94 13.154 -9.198 -0.151 1.00 65.43 H new ATOM 0 HB2 ASN A 94 11.587 -9.976 1.478 1.00 24.51 H new ATOM 0 HB3 ASN A 94 11.323 -11.487 0.630 1.00 24.51 H new ATOM 0 HD21 ASN A 94 14.517 -11.061 3.192 1.00 30.40 H new ATOM 0 HD22 ASN A 94 13.562 -9.666 2.678 1.00 30.40 H new ATOM 1549 N GLU A 95 14.903 -10.994 -0.667 1.00 41.54 N ATOM 1550 CA GLU A 95 15.966 -11.813 -1.269 1.00 42.14 C ATOM 1551 C GLU A 95 15.610 -13.316 -1.278 1.00 54.02 C ATOM 1552 O GLU A 95 15.945 -14.038 -2.217 1.00 5.42 O ATOM 1553 CB GLU A 95 17.295 -11.583 -0.529 1.00 23.33 C ATOM 1554 CG GLU A 95 17.259 -11.939 0.957 1.00 71.45 C ATOM 1555 CD GLU A 95 18.601 -11.725 1.645 1.00 63.02 C ATOM 1556 OE1 GLU A 95 19.533 -12.519 1.393 1.00 42.05 O ATOM 1557 OE2 GLU A 95 18.732 -10.766 2.434 1.00 45.35 O ATOM 0 H GLU A 95 15.219 -10.390 0.092 1.00 41.54 H new ATOM 0 HA GLU A 95 16.071 -11.500 -2.308 1.00 42.14 H new ATOM 0 HB2 GLU A 95 18.073 -12.173 -1.013 1.00 23.33 H new ATOM 0 HB3 GLU A 95 17.578 -10.536 -0.633 1.00 23.33 H new ATOM 0 HG2 GLU A 95 16.500 -11.334 1.453 1.00 71.45 H new ATOM 0 HG3 GLU A 95 16.960 -12.981 1.070 1.00 71.45 H new ATOM 1564 N ALA A 96 14.949 -13.779 -0.220 1.00 44.12 N ATOM 1565 CA ALA A 96 14.487 -15.171 -0.129 1.00 60.22 C ATOM 1566 C ALA A 96 13.289 -15.458 -1.063 1.00 24.01 C ATOM 1567 O ALA A 96 13.208 -16.528 -1.671 1.00 41.42 O ATOM 1568 CB ALA A 96 14.130 -15.507 1.316 1.00 4.23 C ATOM 0 H ALA A 96 14.718 -13.210 0.594 1.00 44.12 H new ATOM 0 HA ALA A 96 15.306 -15.809 -0.460 1.00 60.22 H new ATOM 0 HB1 ALA A 96 13.788 -16.540 1.376 1.00 4.23 H new ATOM 0 HB2 ALA A 96 15.009 -15.379 1.947 1.00 4.23 H new ATOM 0 HB3 ALA A 96 13.337 -14.842 1.659 1.00 4.23 H new ATOM 1574 N GLY A 97 12.360 -14.502 -1.170 1.00 3.15 N ATOM 1575 CA GLY A 97 11.148 -14.710 -1.973 1.00 11.52 C ATOM 1576 C GLY A 97 10.307 -13.444 -2.156 1.00 42.53 C ATOM 1577 O GLY A 97 10.599 -12.405 -1.570 1.00 32.02 O ATOM 0 H GLY A 97 12.421 -13.589 -0.719 1.00 3.15 H new ATOM 0 HA2 GLY A 97 11.433 -15.091 -2.954 1.00 11.52 H new ATOM 0 HA3 GLY A 97 10.536 -15.477 -1.499 1.00 11.52 H new ATOM 1581 N VAL A 98 9.240 -13.540 -2.954 1.00 32.21 N ATOM 1582 CA VAL A 98 8.393 -12.375 -3.276 1.00 71.20 C ATOM 1583 C VAL A 98 6.888 -12.689 -3.120 1.00 65.31 C ATOM 1584 O VAL A 98 6.453 -13.819 -3.335 1.00 71.11 O ATOM 1585 CB VAL A 98 8.665 -11.884 -4.724 1.00 52.14 C ATOM 1586 CG1 VAL A 98 8.397 -12.996 -5.739 1.00 74.14 C ATOM 1587 CG2 VAL A 98 7.840 -10.637 -5.050 1.00 23.11 C ATOM 0 H VAL A 98 8.937 -14.410 -3.392 1.00 32.21 H new ATOM 0 HA VAL A 98 8.654 -11.591 -2.565 1.00 71.20 H new ATOM 0 HB VAL A 98 9.719 -11.613 -4.790 1.00 52.14 H new ATOM 0 HG11 VAL A 98 8.595 -12.626 -6.745 1.00 74.14 H new ATOM 0 HG12 VAL A 98 9.048 -13.844 -5.530 1.00 74.14 H new ATOM 0 HG13 VAL A 98 7.356 -13.311 -5.667 1.00 74.14 H new ATOM 0 HG21 VAL A 98 8.052 -10.317 -6.070 1.00 23.11 H new ATOM 0 HG22 VAL A 98 6.779 -10.868 -4.955 1.00 23.11 H new ATOM 0 HG23 VAL A 98 8.101 -9.837 -4.357 1.00 23.11 H new ATOM 1597 N THR A 99 6.102 -11.680 -2.731 1.00 40.03 N ATOM 1598 CA THR A 99 4.641 -11.825 -2.592 1.00 23.04 C ATOM 1599 C THR A 99 3.897 -10.549 -3.031 1.00 74.44 C ATOM 1600 O THR A 99 4.380 -9.435 -2.826 1.00 63.10 O ATOM 1601 CB THR A 99 4.233 -12.178 -1.145 1.00 1.54 C ATOM 1602 OG1 THR A 99 2.807 -12.318 -1.059 1.00 45.44 O ATOM 1603 CG2 THR A 99 4.707 -11.114 -0.164 1.00 2.24 C ATOM 0 H THR A 99 6.451 -10.748 -2.505 1.00 40.03 H new ATOM 0 HA THR A 99 4.354 -12.646 -3.249 1.00 23.04 H new ATOM 0 HB THR A 99 4.709 -13.122 -0.880 1.00 1.54 H new ATOM 0 HG1 THR A 99 2.577 -12.839 -0.261 1.00 45.44 H new ATOM 0 HG21 THR A 99 4.405 -11.390 0.846 1.00 2.24 H new ATOM 0 HG22 THR A 99 5.793 -11.035 -0.209 1.00 2.24 H new ATOM 0 HG23 THR A 99 4.262 -10.154 -0.426 1.00 2.24 H new ATOM 1611 N THR A 100 2.722 -10.716 -3.647 1.00 42.24 N ATOM 1612 CA THR A 100 1.939 -9.579 -4.167 1.00 31.12 C ATOM 1613 C THR A 100 0.453 -9.674 -3.771 1.00 31.11 C ATOM 1614 O THR A 100 -0.109 -10.767 -3.692 1.00 73.40 O ATOM 1615 CB THR A 100 2.043 -9.494 -5.712 1.00 55.43 C ATOM 1616 OG1 THR A 100 3.411 -9.297 -6.101 1.00 31.25 O ATOM 1617 CG2 THR A 100 1.188 -8.361 -6.278 1.00 22.30 C ATOM 0 H THR A 100 2.288 -11.626 -3.800 1.00 42.24 H new ATOM 0 HA THR A 100 2.363 -8.680 -3.720 1.00 31.12 H new ATOM 0 HB THR A 100 1.671 -10.435 -6.117 1.00 55.43 H new ATOM 0 HG1 THR A 100 3.555 -8.354 -6.324 1.00 31.25 H new ATOM 0 HG21 THR A 100 1.289 -8.336 -7.363 1.00 22.30 H new ATOM 0 HG22 THR A 100 0.143 -8.527 -6.015 1.00 22.30 H new ATOM 0 HG23 THR A 100 1.521 -7.411 -5.861 1.00 22.30 H new ATOM 1625 N CYS A 101 -0.181 -8.524 -3.533 1.00 73.24 N ATOM 1626 CA CYS A 101 -1.613 -8.473 -3.178 1.00 42.51 C ATOM 1627 C CYS A 101 -2.311 -7.258 -3.821 1.00 43.45 C ATOM 1628 O CYS A 101 -1.665 -6.263 -4.150 1.00 23.33 O ATOM 1629 CB CYS A 101 -1.782 -8.422 -1.654 1.00 32.03 C ATOM 1630 SG CYS A 101 -3.505 -8.413 -1.099 1.00 23.23 S ATOM 0 H CYS A 101 0.270 -7.610 -3.578 1.00 73.24 H new ATOM 0 HA CYS A 101 -2.081 -9.378 -3.564 1.00 42.51 H new ATOM 0 HB2 CYS A 101 -1.275 -9.281 -1.214 1.00 32.03 H new ATOM 0 HB3 CYS A 101 -1.285 -7.529 -1.274 1.00 32.03 H new ATOM 0 HG CYS A 101 -3.549 -8.159 0.175 1.00 23.23 H new ATOM 1636 N ASN A 102 -3.634 -7.347 -3.999 1.00 25.34 N ATOM 1637 CA ASN A 102 -4.414 -6.266 -4.629 1.00 72.04 C ATOM 1638 C ASN A 102 -5.223 -5.447 -3.607 1.00 2.11 C ATOM 1639 O ASN A 102 -5.704 -5.973 -2.600 1.00 65.40 O ATOM 1640 CB ASN A 102 -5.368 -6.840 -5.682 1.00 60.45 C ATOM 1641 CG ASN A 102 -4.631 -7.466 -6.850 1.00 32.54 C ATOM 1642 OD1 ASN A 102 -4.333 -8.655 -6.854 1.00 75.01 O ATOM 1643 ND2 ASN A 102 -4.334 -6.671 -7.858 1.00 2.20 N ATOM 0 H ASN A 102 -4.190 -8.154 -3.717 1.00 25.34 H new ATOM 0 HA ASN A 102 -3.694 -5.596 -5.099 1.00 72.04 H new ATOM 0 HB2 ASN A 102 -6.010 -7.589 -5.217 1.00 60.45 H new ATOM 0 HB3 ASN A 102 -6.019 -6.047 -6.050 1.00 60.45 H new ATOM 0 HD21 ASN A 102 -3.842 -7.041 -8.672 1.00 2.20 H new ATOM 0 HD22 ASN A 102 -4.596 -5.686 -7.825 1.00 2.20 H new ATOM 1650 N THR A 103 -5.373 -4.153 -3.889 1.00 54.42 N ATOM 1651 CA THR A 103 -6.144 -3.232 -3.038 1.00 72.23 C ATOM 1652 C THR A 103 -6.889 -2.197 -3.896 1.00 14.21 C ATOM 1653 O THR A 103 -6.411 -1.814 -4.959 1.00 12.40 O ATOM 1654 CB THR A 103 -5.216 -2.490 -2.047 1.00 35.01 C ATOM 1655 OG1 THR A 103 -4.405 -3.434 -1.336 1.00 44.10 O ATOM 1656 CG2 THR A 103 -6.015 -1.658 -1.047 1.00 42.40 C ATOM 0 H THR A 103 -4.966 -3.709 -4.712 1.00 54.42 H new ATOM 0 HA THR A 103 -6.865 -3.827 -2.478 1.00 72.23 H new ATOM 0 HB THR A 103 -4.584 -1.817 -2.626 1.00 35.01 H new ATOM 0 HG1 THR A 103 -3.474 -3.354 -1.632 1.00 44.10 H new ATOM 0 HG21 THR A 103 -5.331 -1.151 -0.367 1.00 42.40 H new ATOM 0 HG22 THR A 103 -6.609 -0.918 -1.582 1.00 42.40 H new ATOM 0 HG23 THR A 103 -6.676 -2.311 -0.477 1.00 42.40 H new ATOM 1664 N ARG A 104 -8.057 -1.739 -3.452 1.00 60.45 N ATOM 1665 CA ARG A 104 -8.829 -0.750 -4.225 1.00 41.31 C ATOM 1666 C ARG A 104 -9.161 0.494 -3.387 1.00 35.23 C ATOM 1667 O ARG A 104 -9.395 0.400 -2.183 1.00 51.12 O ATOM 1668 CB ARG A 104 -10.125 -1.379 -4.751 1.00 61.04 C ATOM 1669 CG ARG A 104 -10.908 -0.474 -5.699 1.00 45.32 C ATOM 1670 CD ARG A 104 -12.246 -1.090 -6.091 1.00 71.22 C ATOM 1671 NE ARG A 104 -12.897 -0.353 -7.171 1.00 1.33 N ATOM 1672 CZ ARG A 104 -14.188 -0.310 -7.357 1.00 23.03 C ATOM 1673 NH1 ARG A 104 -14.993 -0.920 -6.549 1.00 62.50 N ATOM 1674 NH2 ARG A 104 -14.675 0.345 -8.356 1.00 42.44 N ATOM 0 H ARG A 104 -8.491 -2.027 -2.575 1.00 60.45 H new ATOM 0 HA ARG A 104 -8.209 -0.436 -5.065 1.00 41.31 H new ATOM 0 HB2 ARG A 104 -9.884 -2.308 -5.267 1.00 61.04 H new ATOM 0 HB3 ARG A 104 -10.761 -1.640 -3.905 1.00 61.04 H new ATOM 0 HG2 ARG A 104 -11.078 0.492 -5.223 1.00 45.32 H new ATOM 0 HG3 ARG A 104 -10.317 -0.288 -6.596 1.00 45.32 H new ATOM 0 HD2 ARG A 104 -12.092 -2.124 -6.400 1.00 71.22 H new ATOM 0 HD3 ARG A 104 -12.903 -1.112 -5.221 1.00 71.22 H new ATOM 0 HE ARG A 104 -12.304 0.162 -7.822 1.00 1.33 H new ATOM 0 HH11 ARG A 104 -14.621 -1.442 -5.756 1.00 62.50 H new ATOM 0 HH12 ARG A 104 -16.000 -0.879 -6.705 1.00 62.50 H new ATOM 0 HH21 ARG A 104 -14.051 0.830 -9.001 1.00 42.44 H new ATOM 0 HH22 ARG A 104 -15.684 0.378 -8.501 1.00 42.44 H new ATOM 1688 N LEU A 105 -9.172 1.660 -4.034 1.00 3.12 N ATOM 1689 CA LEU A 105 -9.577 2.910 -3.377 1.00 54.12 C ATOM 1690 C LEU A 105 -10.656 3.638 -4.191 1.00 43.25 C ATOM 1691 O LEU A 105 -10.464 3.926 -5.374 1.00 14.22 O ATOM 1692 CB LEU A 105 -8.369 3.835 -3.187 1.00 55.22 C ATOM 1693 CG LEU A 105 -8.685 5.194 -2.531 1.00 5.05 C ATOM 1694 CD1 LEU A 105 -9.207 5.012 -1.106 1.00 51.04 C ATOM 1695 CD2 LEU A 105 -7.459 6.105 -2.545 1.00 43.50 C ATOM 0 H LEU A 105 -8.906 1.768 -5.013 1.00 3.12 H new ATOM 0 HA LEU A 105 -9.989 2.651 -2.402 1.00 54.12 H new ATOM 0 HB2 LEU A 105 -7.627 3.318 -2.578 1.00 55.22 H new ATOM 0 HB3 LEU A 105 -7.912 4.016 -4.160 1.00 55.22 H new ATOM 0 HG LEU A 105 -9.470 5.670 -3.118 1.00 5.05 H new ATOM 0 HD11 LEU A 105 -9.421 5.988 -0.670 1.00 51.04 H new ATOM 0 HD12 LEU A 105 -10.119 4.415 -1.126 1.00 51.04 H new ATOM 0 HD13 LEU A 105 -8.454 4.503 -0.505 1.00 51.04 H new ATOM 0 HD21 LEU A 105 -7.708 7.057 -2.077 1.00 43.50 H new ATOM 0 HD22 LEU A 105 -6.647 5.631 -1.994 1.00 43.50 H new ATOM 0 HD23 LEU A 105 -7.146 6.278 -3.575 1.00 43.50 H new ATOM 1707 N ASP A 106 -11.780 3.938 -3.548 1.00 23.45 N ATOM 1708 CA ASP A 106 -12.878 4.669 -4.187 1.00 51.25 C ATOM 1709 C ASP A 106 -13.001 6.094 -3.622 1.00 70.34 C ATOM 1710 O ASP A 106 -12.833 6.320 -2.420 1.00 22.31 O ATOM 1711 CB ASP A 106 -14.199 3.916 -3.993 1.00 74.32 C ATOM 1712 CG ASP A 106 -14.276 2.645 -4.821 1.00 61.30 C ATOM 1713 OD1 ASP A 106 -14.754 2.713 -5.973 1.00 72.32 O ATOM 1714 OD2 ASP A 106 -13.892 1.568 -4.315 1.00 53.14 O ATOM 0 H ASP A 106 -11.959 3.685 -2.576 1.00 23.45 H new ATOM 0 HA ASP A 106 -12.657 4.742 -5.252 1.00 51.25 H new ATOM 0 HB2 ASP A 106 -14.318 3.666 -2.939 1.00 74.32 H new ATOM 0 HB3 ASP A 106 -15.028 4.570 -4.261 1.00 74.32 H new ATOM 1719 N VAL A 107 -13.285 7.055 -4.500 1.00 2.22 N ATOM 1720 CA VAL A 107 -13.478 8.451 -4.092 1.00 10.10 C ATOM 1721 C VAL A 107 -14.751 9.039 -4.723 1.00 61.22 C ATOM 1722 O VAL A 107 -15.026 8.838 -5.909 1.00 11.40 O ATOM 1723 CB VAL A 107 -12.263 9.342 -4.477 1.00 52.32 C ATOM 1724 CG1 VAL A 107 -12.495 10.791 -4.048 1.00 62.32 C ATOM 1725 CG2 VAL A 107 -10.971 8.800 -3.860 1.00 1.25 C ATOM 0 H VAL A 107 -13.387 6.894 -5.502 1.00 2.22 H new ATOM 0 HA VAL A 107 -13.577 8.447 -3.006 1.00 10.10 H new ATOM 0 HB VAL A 107 -12.159 9.318 -5.562 1.00 52.32 H new ATOM 0 HG11 VAL A 107 -11.632 11.396 -4.327 1.00 62.32 H new ATOM 0 HG12 VAL A 107 -13.386 11.179 -4.543 1.00 62.32 H new ATOM 0 HG13 VAL A 107 -12.633 10.833 -2.968 1.00 62.32 H new ATOM 0 HG21 VAL A 107 -10.136 9.440 -4.144 1.00 1.25 H new ATOM 0 HG22 VAL A 107 -11.065 8.786 -2.774 1.00 1.25 H new ATOM 0 HG23 VAL A 107 -10.792 7.788 -4.222 1.00 1.25 H new ATOM 1735 N THR A 108 -15.521 9.764 -3.920 1.00 20.03 N ATOM 1736 CA THR A 108 -16.750 10.420 -4.383 1.00 53.31 C ATOM 1737 C THR A 108 -16.578 11.946 -4.386 1.00 33.22 C ATOM 1738 O THR A 108 -15.867 12.503 -3.548 1.00 10.12 O ATOM 1739 CB THR A 108 -17.969 10.033 -3.504 1.00 44.41 C ATOM 1740 OG1 THR A 108 -18.193 8.615 -3.576 1.00 64.15 O ATOM 1741 CG2 THR A 108 -19.238 10.761 -3.943 1.00 71.32 C ATOM 0 H THR A 108 -15.317 9.917 -2.932 1.00 20.03 H new ATOM 0 HA THR A 108 -16.939 10.076 -5.400 1.00 53.31 H new ATOM 0 HB THR A 108 -17.741 10.328 -2.480 1.00 44.41 H new ATOM 0 HG1 THR A 108 -18.962 8.377 -3.018 1.00 64.15 H new ATOM 0 HG21 THR A 108 -20.068 10.463 -3.303 1.00 71.32 H new ATOM 0 HG22 THR A 108 -19.086 11.837 -3.863 1.00 71.32 H new ATOM 0 HG23 THR A 108 -19.466 10.503 -4.977 1.00 71.32 H new ATOM 1749 N ALA A 109 -17.240 12.619 -5.324 1.00 55.32 N ATOM 1750 CA ALA A 109 -17.100 14.066 -5.476 1.00 44.33 C ATOM 1751 C ALA A 109 -17.825 14.807 -4.352 1.00 31.00 C ATOM 1752 O ALA A 109 -18.950 14.457 -3.979 1.00 32.12 O ATOM 1753 CB ALA A 109 -17.624 14.509 -6.838 1.00 21.40 C ATOM 0 H ALA A 109 -17.879 12.186 -5.991 1.00 55.32 H new ATOM 0 HA ALA A 109 -16.041 14.315 -5.413 1.00 44.33 H new ATOM 0 HB1 ALA A 109 -17.513 15.589 -6.937 1.00 21.40 H new ATOM 0 HB2 ALA A 109 -17.057 14.012 -7.625 1.00 21.40 H new ATOM 0 HB3 ALA A 109 -18.677 14.243 -6.927 1.00 21.40 H new