USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 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 132 ASN : amide:sc= -2.33! C(o=-2.3!,f=-23!) USER MOD Set 1.2: A 134 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 26 THR OG1 : rot -96:sc= 1.26 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -2.9! C(o=-1.6!,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.034) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 32 THR OG1 : rot 175:sc= -2.79 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 66 CYS SG : rot -171:sc= -0.289 USER MOD Single : A 72 THR OG1 : rot 150:sc= 0.402 USER MOD Single : A 74 CYS SG : rot -87:sc= -2.7! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.031) USER MOD Single : A 83 GLN : amide:sc= -1.72 X(o=-1.7,f=-2!) USER MOD Single : A 87 MET CE :methyl -158:sc= -7.19! (180deg=-9.52!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 100:sc= -2.38! USER MOD Single : A 97 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.41) USER MOD Single : A 98 SER OG : rot -58:sc= -0.219 USER MOD Single : A 102 MET CE :methyl -111:sc= -2.61 (180deg=-5.95!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -91:sc= 0.239 USER MOD Single : A 107 MET CE :methyl -138:sc= -0.588 (180deg=-1.28) USER MOD Single : A 113 LYS NZ :NH3+ -151:sc= -0.0355 (180deg=-0.488) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -161:sc= -0.0489 (180deg=-0.49) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.375 F(o=-1.4,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 205 N PHE A 16 16.295 -0.139 -5.950 1.00 0.00 N ATOM 206 CA PHE A 16 14.871 -0.044 -5.676 1.00 0.00 C ATOM 207 C PHE A 16 14.303 1.285 -6.176 1.00 0.00 C ATOM 208 O PHE A 16 15.056 2.192 -6.528 1.00 0.00 O ATOM 209 CB PHE A 16 14.702 -0.119 -4.157 1.00 0.00 C ATOM 210 CG PHE A 16 15.096 -1.468 -3.552 1.00 0.00 C ATOM 211 CD1 PHE A 16 16.405 -1.830 -3.492 1.00 0.00 C ATOM 212 CD2 PHE A 16 14.136 -2.305 -3.075 1.00 0.00 C ATOM 213 CE1 PHE A 16 16.770 -3.083 -2.930 1.00 0.00 C ATOM 214 CE2 PHE A 16 14.501 -3.558 -2.514 1.00 0.00 C ATOM 215 CZ PHE A 16 15.810 -3.920 -2.454 1.00 0.00 C ATOM 0 HA PHE A 16 14.340 -0.849 -6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 16 15.304 0.664 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 16 13.662 0.090 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 16 17.167 -1.165 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 16 13.096 -2.017 -3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 16 17.810 -3.371 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.739 -4.223 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 16 16.088 -4.873 -2.028 1.00 0.00 H new ATOM 225 N VAL A 17 12.981 1.359 -6.191 1.00 0.00 N ATOM 226 CA VAL A 17 12.303 2.563 -6.641 1.00 0.00 C ATOM 227 C VAL A 17 11.589 3.215 -5.456 1.00 0.00 C ATOM 228 O VAL A 17 11.773 2.803 -4.312 1.00 0.00 O ATOM 229 CB VAL A 17 11.360 2.230 -7.799 1.00 0.00 C ATOM 230 CG1 VAL A 17 12.053 2.433 -9.147 1.00 0.00 C ATOM 231 CG2 VAL A 17 10.816 0.805 -7.671 1.00 0.00 C ATOM 0 H VAL A 17 12.360 0.604 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 17 13.023 3.287 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 17 10.515 2.917 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.360 2.189 -9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.368 3.472 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.925 1.782 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.149 0.594 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.645 0.097 -7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.267 0.708 -6.734 1.00 0.00 H new ATOM 241 N LYS A 18 10.788 4.223 -5.771 1.00 0.00 N ATOM 242 CA LYS A 18 10.045 4.936 -4.746 1.00 0.00 C ATOM 243 C LYS A 18 8.598 5.120 -5.206 1.00 0.00 C ATOM 244 O LYS A 18 8.271 4.851 -6.361 1.00 0.00 O ATOM 245 CB LYS A 18 10.748 6.247 -4.389 1.00 0.00 C ATOM 246 CG LYS A 18 12.169 5.988 -3.885 1.00 0.00 C ATOM 247 CD LYS A 18 12.383 6.608 -2.503 1.00 0.00 C ATOM 248 CE LYS A 18 13.840 7.034 -2.312 1.00 0.00 C ATOM 249 NZ LYS A 18 14.629 5.932 -1.718 1.00 0.00 N ATOM 0 H LYS A 18 10.638 4.562 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 18 10.015 4.356 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.781 6.896 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.177 6.773 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.352 4.914 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.890 6.404 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.729 7.472 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.106 5.889 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.270 7.321 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.887 7.911 -1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.615 6.238 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.228 5.677 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.599 5.105 -2.348 1.00 0.00 H new ATOM 263 N VAL A 19 7.769 5.577 -4.279 1.00 0.00 N ATOM 264 CA VAL A 19 6.364 5.800 -4.575 1.00 0.00 C ATOM 265 C VAL A 19 6.235 6.941 -5.587 1.00 0.00 C ATOM 266 O VAL A 19 5.465 6.845 -6.541 1.00 0.00 O ATOM 267 CB VAL A 19 5.591 6.059 -3.281 1.00 0.00 C ATOM 268 CG1 VAL A 19 4.135 6.426 -3.576 1.00 0.00 C ATOM 269 CG2 VAL A 19 5.673 4.853 -2.343 1.00 0.00 C ATOM 0 H VAL A 19 8.044 5.799 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 19 5.924 4.912 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 19 6.055 6.907 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.608 6.605 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.104 7.328 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.655 5.607 -4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.115 5.063 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.247 3.979 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.716 4.656 -2.094 1.00 0.00 H new ATOM 279 N GLU A 20 7.001 7.994 -5.344 1.00 0.00 N ATOM 280 CA GLU A 20 6.983 9.152 -6.222 1.00 0.00 C ATOM 281 C GLU A 20 7.587 8.796 -7.582 1.00 0.00 C ATOM 282 O GLU A 20 7.528 9.592 -8.518 1.00 0.00 O ATOM 283 CB GLU A 20 7.719 10.333 -5.587 1.00 0.00 C ATOM 284 CG GLU A 20 9.227 10.078 -5.540 1.00 0.00 C ATOM 285 CD GLU A 20 10.001 11.393 -5.417 1.00 0.00 C ATOM 286 OE1 GLU A 20 10.070 11.906 -4.280 1.00 0.00 O ATOM 287 OE2 GLU A 20 10.507 11.853 -6.464 1.00 0.00 O ATOM 0 H GLU A 20 7.638 8.070 -4.551 1.00 0.00 H new ATOM 0 HA GLU A 20 5.946 9.452 -6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.518 11.240 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.343 10.500 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.464 9.432 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.539 9.551 -6.442 1.00 0.00 H new ATOM 294 N GLN A 21 8.153 7.601 -7.648 1.00 0.00 N ATOM 295 CA GLN A 21 8.767 7.130 -8.878 1.00 0.00 C ATOM 296 C GLN A 21 7.775 6.280 -9.675 1.00 0.00 C ATOM 297 O GLN A 21 8.109 5.769 -10.743 1.00 0.00 O ATOM 298 CB GLN A 21 10.049 6.348 -8.586 1.00 0.00 C ATOM 299 CG GLN A 21 11.265 7.037 -9.208 1.00 0.00 C ATOM 300 CD GLN A 21 11.992 6.100 -10.175 1.00 0.00 C ATOM 301 OE1 GLN A 21 11.438 5.623 -11.151 1.00 0.00 O ATOM 302 NE2 GLN A 21 13.260 5.865 -9.850 1.00 0.00 N ATOM 0 H GLN A 21 8.200 6.944 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 21 9.039 7.997 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.188 6.260 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.959 5.336 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.947 7.936 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.949 7.355 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.662 6.297 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.831 5.253 -10.433 1.00 0.00 H new ATOM 311 N LEU A 22 6.577 6.155 -9.125 1.00 0.00 N ATOM 312 CA LEU A 22 5.534 5.376 -9.771 1.00 0.00 C ATOM 313 C LEU A 22 4.841 6.238 -10.828 1.00 0.00 C ATOM 314 O LEU A 22 4.817 7.463 -10.718 1.00 0.00 O ATOM 315 CB LEU A 22 4.578 4.792 -8.729 1.00 0.00 C ATOM 316 CG LEU A 22 5.229 4.023 -7.577 1.00 0.00 C ATOM 317 CD1 LEU A 22 4.175 3.524 -6.587 1.00 0.00 C ATOM 318 CD2 LEU A 22 6.105 2.885 -8.104 1.00 0.00 C ATOM 0 H LEU A 22 6.305 6.580 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 22 5.964 4.519 -10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.989 5.607 -8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.882 4.125 -9.237 1.00 0.00 H new ATOM 0 HG LEU A 22 5.882 4.707 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.664 2.981 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.630 4.374 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.479 2.861 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.556 2.355 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.494 2.194 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.891 3.295 -8.739 1.00 0.00 H new ATOM 330 N LYS A 23 4.292 5.564 -11.828 1.00 0.00 N ATOM 331 CA LYS A 23 3.600 6.252 -12.904 1.00 0.00 C ATOM 332 C LYS A 23 2.793 5.238 -13.717 1.00 0.00 C ATOM 333 O LYS A 23 2.935 4.031 -13.527 1.00 0.00 O ATOM 334 CB LYS A 23 4.588 7.067 -13.742 1.00 0.00 C ATOM 335 CG LYS A 23 4.485 8.558 -13.416 1.00 0.00 C ATOM 336 CD LYS A 23 5.073 9.408 -14.544 1.00 0.00 C ATOM 337 CE LYS A 23 5.750 10.662 -13.989 1.00 0.00 C ATOM 338 NZ LYS A 23 7.159 10.733 -14.439 1.00 0.00 N ATOM 0 H LYS A 23 4.313 4.548 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 23 2.890 6.974 -12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.604 6.719 -13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.389 6.908 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.441 8.828 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.012 8.768 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.796 8.820 -15.109 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.283 9.694 -15.239 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.211 11.550 -14.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.710 10.652 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.604 11.590 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.674 9.894 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.190 10.764 -15.478 1.00 0.00 H new ATOM 352 N PRO A 24 1.943 5.779 -14.630 1.00 0.00 N ATOM 353 CA PRO A 24 1.114 4.935 -15.473 1.00 0.00 C ATOM 354 C PRO A 24 1.943 4.283 -16.581 1.00 0.00 C ATOM 355 O PRO A 24 2.732 4.952 -17.247 1.00 0.00 O ATOM 356 CB PRO A 24 0.030 5.856 -16.008 1.00 0.00 C ATOM 357 CG PRO A 24 0.555 7.270 -15.821 1.00 0.00 C ATOM 358 CD PRO A 24 1.749 7.204 -14.884 1.00 0.00 C ATOM 0 HA PRO A 24 0.675 4.099 -14.928 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.173 5.651 -17.059 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.906 5.712 -15.468 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.846 7.699 -16.780 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.221 7.913 -15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.634 7.649 -15.338 1.00 0.00 H new ATOM 0 HD3 PRO A 24 1.557 7.748 -13.959 1.00 0.00 H new ATOM 366 N GLY A 25 1.738 2.984 -16.744 1.00 0.00 N ATOM 367 CA GLY A 25 2.457 2.234 -17.759 1.00 0.00 C ATOM 368 C GLY A 25 3.755 1.653 -17.195 1.00 0.00 C ATOM 369 O GLY A 25 4.791 1.681 -17.857 1.00 0.00 O ATOM 0 H GLY A 25 1.084 2.432 -16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.827 1.428 -18.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.682 2.884 -18.605 1.00 0.00 H new ATOM 373 N THR A 26 3.656 1.139 -15.978 1.00 0.00 N ATOM 374 CA THR A 26 4.810 0.552 -15.317 1.00 0.00 C ATOM 375 C THR A 26 4.421 -0.758 -14.629 1.00 0.00 C ATOM 376 O THR A 26 3.275 -0.931 -14.218 1.00 0.00 O ATOM 377 CB THR A 26 5.386 1.595 -14.358 1.00 0.00 C ATOM 378 OG1 THR A 26 4.309 1.883 -13.470 1.00 0.00 O ATOM 379 CG2 THR A 26 5.669 2.932 -15.046 1.00 0.00 C ATOM 0 H THR A 26 2.795 1.117 -15.432 1.00 0.00 H new ATOM 0 HA THR A 26 5.586 0.287 -16.035 1.00 0.00 H new ATOM 0 HB THR A 26 6.306 1.212 -13.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.835 2.683 -13.779 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.076 3.636 -14.320 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.390 2.782 -15.850 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.743 3.332 -15.459 1.00 0.00 H new ATOM 387 N THR A 27 5.398 -1.647 -14.525 1.00 0.00 N ATOM 388 CA THR A 27 5.172 -2.936 -13.893 1.00 0.00 C ATOM 389 C THR A 27 6.437 -3.405 -13.173 1.00 0.00 C ATOM 390 O THR A 27 7.498 -2.799 -13.314 1.00 0.00 O ATOM 391 CB THR A 27 4.688 -3.911 -14.969 1.00 0.00 C ATOM 392 OG1 THR A 27 5.483 -3.594 -16.108 1.00 0.00 O ATOM 393 CG2 THR A 27 3.256 -3.619 -15.422 1.00 0.00 C ATOM 0 H THR A 27 6.347 -1.500 -14.868 1.00 0.00 H new ATOM 0 HA THR A 27 4.403 -2.871 -13.123 1.00 0.00 H new ATOM 0 HB THR A 27 4.748 -4.930 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.236 -4.181 -16.853 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.962 -4.339 -16.186 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.581 -3.698 -14.570 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.203 -2.611 -15.834 1.00 0.00 H new ATOM 401 N GLY A 28 6.284 -4.482 -12.416 1.00 0.00 N ATOM 402 CA GLY A 28 7.401 -5.040 -11.673 1.00 0.00 C ATOM 403 C GLY A 28 8.264 -3.932 -11.067 1.00 0.00 C ATOM 404 O GLY A 28 9.171 -3.419 -11.721 1.00 0.00 O ATOM 0 H GLY A 28 5.403 -4.983 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.028 -5.689 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.008 -5.659 -12.333 1.00 0.00 H new ATOM 408 N HIS A 29 7.953 -3.595 -9.824 1.00 0.00 N ATOM 409 CA HIS A 29 8.689 -2.557 -9.123 1.00 0.00 C ATOM 410 C HIS A 29 9.285 -3.131 -7.836 1.00 0.00 C ATOM 411 O HIS A 29 8.775 -4.111 -7.294 1.00 0.00 O ATOM 412 CB HIS A 29 7.802 -1.336 -8.873 1.00 0.00 C ATOM 413 CG HIS A 29 7.340 -0.644 -10.133 1.00 0.00 C ATOM 414 ND1 HIS A 29 8.073 0.353 -10.753 1.00 0.00 N ATOM 415 CD2 HIS A 29 6.214 -0.817 -10.883 1.00 0.00 C ATOM 416 CE1 HIS A 29 7.408 0.756 -11.826 1.00 0.00 C ATOM 417 NE2 HIS A 29 6.256 0.029 -11.904 1.00 0.00 N ATOM 0 H HIS A 29 7.201 -4.023 -9.284 1.00 0.00 H new ATOM 0 HA HIS A 29 9.516 -2.211 -9.743 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.928 -1.646 -8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.350 -0.622 -8.258 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.973 0.716 -10.437 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.422 -1.523 -10.680 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.722 1.524 -12.517 1.00 0.00 H new ATOM 425 N THR A 30 10.356 -2.496 -7.383 1.00 0.00 N ATOM 426 CA THR A 30 11.026 -2.931 -6.169 1.00 0.00 C ATOM 427 C THR A 30 11.342 -1.731 -5.275 1.00 0.00 C ATOM 428 O THR A 30 12.175 -0.895 -5.623 1.00 0.00 O ATOM 429 CB THR A 30 12.266 -3.730 -6.574 1.00 0.00 C ATOM 430 OG1 THR A 30 11.828 -4.513 -7.681 1.00 0.00 O ATOM 431 CG2 THR A 30 12.666 -4.765 -5.521 1.00 0.00 C ATOM 0 H THR A 30 10.776 -1.684 -7.835 1.00 0.00 H new ATOM 0 HA THR A 30 10.384 -3.580 -5.573 1.00 0.00 H new ATOM 0 HB THR A 30 13.098 -3.047 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.571 -5.062 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.551 -5.304 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.885 -4.261 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.847 -5.469 -5.373 1.00 0.00 H new ATOM 439 N LEU A 31 10.660 -1.683 -4.140 1.00 0.00 N ATOM 440 CA LEU A 31 10.858 -0.599 -3.193 1.00 0.00 C ATOM 441 C LEU A 31 10.340 -1.027 -1.818 1.00 0.00 C ATOM 442 O LEU A 31 9.560 -1.972 -1.712 1.00 0.00 O ATOM 443 CB LEU A 31 10.222 0.691 -3.715 1.00 0.00 C ATOM 444 CG LEU A 31 8.697 0.687 -3.835 1.00 0.00 C ATOM 445 CD1 LEU A 31 8.218 1.790 -4.780 1.00 0.00 C ATOM 446 CD2 LEU A 31 8.184 -0.692 -4.256 1.00 0.00 C ATOM 0 H LEU A 31 9.970 -2.378 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 31 11.920 -0.381 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.512 1.508 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.643 0.909 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 31 8.277 0.901 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.130 1.765 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.535 2.760 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.646 1.632 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.097 -0.668 -4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.611 -0.960 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.478 -1.432 -3.512 1.00 0.00 H new ATOM 458 N THR A 32 10.794 -0.310 -0.801 1.00 0.00 N ATOM 459 CA THR A 32 10.386 -0.604 0.562 1.00 0.00 C ATOM 460 C THR A 32 9.259 0.336 0.996 1.00 0.00 C ATOM 461 O THR A 32 9.487 1.525 1.212 1.00 0.00 O ATOM 462 CB THR A 32 11.625 -0.520 1.456 1.00 0.00 C ATOM 463 OG1 THR A 32 12.566 -1.385 0.825 1.00 0.00 O ATOM 464 CG2 THR A 32 11.400 -1.153 2.830 1.00 0.00 C ATOM 0 H THR A 32 11.440 0.474 -0.893 1.00 0.00 H new ATOM 0 HA THR A 32 9.977 -1.611 0.643 1.00 0.00 H new ATOM 0 HB THR A 32 11.913 0.524 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.426 -1.329 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.310 -1.066 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.584 -0.639 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.145 -2.206 2.708 1.00 0.00 H new ATOM 472 N VAL A 33 8.068 -0.233 1.111 1.00 0.00 N ATOM 473 CA VAL A 33 6.906 0.539 1.516 1.00 0.00 C ATOM 474 C VAL A 33 6.608 0.270 2.992 1.00 0.00 C ATOM 475 O VAL A 33 6.676 -0.872 3.444 1.00 0.00 O ATOM 476 CB VAL A 33 5.722 0.222 0.600 1.00 0.00 C ATOM 477 CG1 VAL A 33 6.012 0.652 -0.840 1.00 0.00 C ATOM 478 CG2 VAL A 33 5.360 -1.263 0.666 1.00 0.00 C ATOM 0 H VAL A 33 7.883 -1.220 0.931 1.00 0.00 H new ATOM 0 HA VAL A 33 7.103 1.606 1.414 1.00 0.00 H new ATOM 0 HB VAL A 33 4.863 0.792 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.155 0.415 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.198 1.726 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.890 0.122 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.516 -1.461 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.215 -1.860 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.091 -1.527 1.689 1.00 0.00 H new ATOM 488 N LYS A 34 6.285 1.341 3.702 1.00 0.00 N ATOM 489 CA LYS A 34 5.977 1.234 5.118 1.00 0.00 C ATOM 490 C LYS A 34 4.482 1.483 5.330 1.00 0.00 C ATOM 491 O LYS A 34 3.965 2.536 4.959 1.00 0.00 O ATOM 492 CB LYS A 34 6.877 2.165 5.934 1.00 0.00 C ATOM 493 CG LYS A 34 6.507 2.123 7.418 1.00 0.00 C ATOM 494 CD LYS A 34 6.198 3.526 7.945 1.00 0.00 C ATOM 495 CE LYS A 34 6.221 3.554 9.475 1.00 0.00 C ATOM 496 NZ LYS A 34 5.143 4.424 9.994 1.00 0.00 N ATOM 0 H LYS A 34 6.230 2.287 3.323 1.00 0.00 H new ATOM 0 HA LYS A 34 6.188 0.227 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.919 1.872 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.784 3.185 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.641 1.477 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.327 1.688 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.928 4.234 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.220 3.846 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.100 2.543 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.188 3.916 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.173 4.432 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.276 5.392 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.221 4.061 9.677 1.00 0.00 H new ATOM 510 N VAL A 35 3.829 0.496 5.927 1.00 0.00 N ATOM 511 CA VAL A 35 2.404 0.595 6.193 1.00 0.00 C ATOM 512 C VAL A 35 2.162 1.660 7.264 1.00 0.00 C ATOM 513 O VAL A 35 2.979 1.835 8.167 1.00 0.00 O ATOM 514 CB VAL A 35 1.848 -0.777 6.579 1.00 0.00 C ATOM 515 CG1 VAL A 35 0.334 -0.835 6.364 1.00 0.00 C ATOM 516 CG2 VAL A 35 2.554 -1.893 5.806 1.00 0.00 C ATOM 0 H VAL A 35 4.261 -0.376 6.234 1.00 0.00 H new ATOM 0 HA VAL A 35 1.869 0.908 5.296 1.00 0.00 H new ATOM 0 HB VAL A 35 2.043 -0.930 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.036 -1.821 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.150 -0.076 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.108 -0.649 5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.140 -2.857 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.406 -1.745 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.620 -1.873 6.031 1.00 0.00 H new ATOM 526 N ILE A 36 1.036 2.345 7.128 1.00 0.00 N ATOM 527 CA ILE A 36 0.676 3.389 8.073 1.00 0.00 C ATOM 528 C ILE A 36 -0.672 3.051 8.711 1.00 0.00 C ATOM 529 O ILE A 36 -0.809 3.079 9.933 1.00 0.00 O ATOM 530 CB ILE A 36 0.709 4.760 7.394 1.00 0.00 C ATOM 531 CG1 ILE A 36 1.777 4.805 6.299 1.00 0.00 C ATOM 532 CG2 ILE A 36 0.897 5.876 8.423 1.00 0.00 C ATOM 533 CD1 ILE A 36 3.182 4.839 6.904 1.00 0.00 C ATOM 0 H ILE A 36 0.361 2.198 6.378 1.00 0.00 H new ATOM 0 HA ILE A 36 1.407 3.441 8.880 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.254 4.925 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.677 3.933 5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.625 5.685 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.917 6.840 7.915 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.071 5.858 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.837 5.726 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.922 4.871 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.287 5.725 7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.339 3.946 7.509 1.00 0.00 H new ATOM 545 N GLU A 37 -1.634 2.738 7.855 1.00 0.00 N ATOM 546 CA GLU A 37 -2.967 2.394 8.320 1.00 0.00 C ATOM 547 C GLU A 37 -3.471 1.139 7.605 1.00 0.00 C ATOM 548 O GLU A 37 -2.963 0.777 6.546 1.00 0.00 O ATOM 549 CB GLU A 37 -3.935 3.563 8.123 1.00 0.00 C ATOM 550 CG GLU A 37 -3.451 4.808 8.870 1.00 0.00 C ATOM 551 CD GLU A 37 -4.602 5.475 9.626 1.00 0.00 C ATOM 552 OE1 GLU A 37 -5.450 4.720 10.149 1.00 0.00 O ATOM 553 OE2 GLU A 37 -4.607 6.724 9.664 1.00 0.00 O ATOM 0 H GLU A 37 -1.517 2.715 6.842 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.915 2.184 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.030 3.786 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.926 3.283 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.662 4.533 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.017 5.515 8.163 1.00 0.00 H new ATOM 560 N ALA A 38 -4.465 0.509 8.214 1.00 0.00 N ATOM 561 CA ALA A 38 -5.044 -0.698 7.650 1.00 0.00 C ATOM 562 C ALA A 38 -6.483 -0.849 8.146 1.00 0.00 C ATOM 563 O ALA A 38 -6.711 -1.194 9.305 1.00 0.00 O ATOM 564 CB ALA A 38 -4.172 -1.901 8.015 1.00 0.00 C ATOM 0 H ALA A 38 -4.884 0.812 9.093 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.076 -0.636 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.606 -2.807 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.169 -1.758 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.119 -1.996 9.100 1.00 0.00 H new ATOM 570 N ASN A 39 -7.417 -0.584 7.244 1.00 0.00 N ATOM 571 CA ASN A 39 -8.828 -0.686 7.576 1.00 0.00 C ATOM 572 C ASN A 39 -9.577 -1.330 6.408 1.00 0.00 C ATOM 573 O ASN A 39 -9.168 -1.198 5.255 1.00 0.00 O ATOM 574 CB ASN A 39 -9.437 0.696 7.823 1.00 0.00 C ATOM 575 CG ASN A 39 -8.564 1.518 8.774 1.00 0.00 C ATOM 576 OD1 ASN A 39 -8.593 1.354 9.983 1.00 0.00 O ATOM 577 ND2 ASN A 39 -7.788 2.408 8.162 1.00 0.00 N ATOM 0 H ASN A 39 -7.224 -0.299 6.284 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.919 -1.287 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.546 1.224 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.437 0.587 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.168 3.005 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.813 2.493 7.146 1.00 0.00 H new ATOM 584 N ILE A 40 -10.660 -2.014 6.746 1.00 0.00 N ATOM 585 CA ILE A 40 -11.470 -2.679 5.739 1.00 0.00 C ATOM 586 C ILE A 40 -11.831 -1.679 4.639 1.00 0.00 C ATOM 587 O ILE A 40 -11.833 -0.471 4.869 1.00 0.00 O ATOM 588 CB ILE A 40 -12.685 -3.348 6.385 1.00 0.00 C ATOM 589 CG1 ILE A 40 -13.591 -2.311 7.053 1.00 0.00 C ATOM 590 CG2 ILE A 40 -12.253 -4.444 7.361 1.00 0.00 C ATOM 591 CD1 ILE A 40 -14.902 -2.947 7.518 1.00 0.00 C ATOM 0 H ILE A 40 -10.996 -2.122 7.703 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.906 -3.483 5.266 1.00 0.00 H new ATOM 0 HB ILE A 40 -13.269 -3.828 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -13.076 -1.867 7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -13.803 -1.503 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.136 -4.903 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.680 -5.202 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.635 -4.009 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -15.527 -2.189 7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.426 -3.368 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -14.688 -3.738 8.237 1.00 0.00 H new ATOM 954 N ILE A 63 -10.362 -8.678 2.263 1.00 0.00 N ATOM 955 CA ILE A 63 -9.588 -7.627 1.624 1.00 0.00 C ATOM 956 C ILE A 63 -9.642 -6.364 2.486 1.00 0.00 C ATOM 957 O ILE A 63 -10.719 -5.937 2.901 1.00 0.00 O ATOM 958 CB ILE A 63 -10.062 -7.411 0.186 1.00 0.00 C ATOM 959 CG1 ILE A 63 -9.487 -8.479 -0.747 1.00 0.00 C ATOM 960 CG2 ILE A 63 -9.734 -5.995 -0.292 1.00 0.00 C ATOM 961 CD1 ILE A 63 -8.142 -8.034 -1.326 1.00 0.00 C ATOM 0 HA ILE A 63 -8.540 -7.918 1.549 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.147 -7.515 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.361 -9.414 -0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.189 -8.675 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.081 -5.867 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.230 -5.269 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.656 -5.838 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.755 -8.811 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.276 -7.112 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.435 -7.862 -0.514 1.00 0.00 H new ATOM 973 N VAL A 64 -8.468 -5.802 2.731 1.00 0.00 N ATOM 974 CA VAL A 64 -8.368 -4.597 3.536 1.00 0.00 C ATOM 975 C VAL A 64 -7.348 -3.649 2.903 1.00 0.00 C ATOM 976 O VAL A 64 -6.294 -4.084 2.441 1.00 0.00 O ATOM 977 CB VAL A 64 -8.029 -4.960 4.983 1.00 0.00 C ATOM 978 CG1 VAL A 64 -7.772 -3.704 5.818 1.00 0.00 C ATOM 979 CG2 VAL A 64 -9.132 -5.818 5.606 1.00 0.00 C ATOM 0 H VAL A 64 -7.577 -6.159 2.386 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.325 -4.075 3.562 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.112 -5.549 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.533 -3.991 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.936 -3.149 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.663 -3.077 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.866 -6.062 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.072 -5.266 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.245 -6.738 5.032 1.00 0.00 H new ATOM 989 N GLU A 65 -7.696 -2.370 2.902 1.00 0.00 N ATOM 990 CA GLU A 65 -6.824 -1.357 2.334 1.00 0.00 C ATOM 991 C GLU A 65 -5.859 -0.829 3.397 1.00 0.00 C ATOM 992 O GLU A 65 -6.266 -0.545 4.523 1.00 0.00 O ATOM 993 CB GLU A 65 -7.637 -0.217 1.717 1.00 0.00 C ATOM 994 CG GLU A 65 -8.212 -0.626 0.359 1.00 0.00 C ATOM 995 CD GLU A 65 -9.337 0.320 -0.066 1.00 0.00 C ATOM 996 OE1 GLU A 65 -9.662 1.216 0.743 1.00 0.00 O ATOM 997 OE2 GLU A 65 -9.847 0.125 -1.191 1.00 0.00 O ATOM 0 H GLU A 65 -8.571 -2.013 3.286 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.239 -1.816 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.448 0.062 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.004 0.663 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.422 -0.618 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.591 -1.647 0.413 1.00 0.00 H new ATOM 1004 N CYS A 66 -4.599 -0.715 3.003 1.00 0.00 N ATOM 1005 CA CYS A 66 -3.573 -0.226 3.909 1.00 0.00 C ATOM 1006 C CYS A 66 -2.737 0.820 3.169 1.00 0.00 C ATOM 1007 O CYS A 66 -2.502 0.695 1.968 1.00 0.00 O ATOM 1008 CB CYS A 66 -2.710 -1.366 4.453 1.00 0.00 C ATOM 1009 SG CYS A 66 -3.748 -2.838 4.776 1.00 0.00 S ATOM 0 H CYS A 66 -4.265 -0.953 2.069 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.041 0.235 4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.926 -1.613 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.215 -1.052 5.372 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.049 -3.731 5.411 1.00 0.00 H new ATOM 1015 N LEU A 67 -2.312 1.828 3.916 1.00 0.00 N ATOM 1016 CA LEU A 67 -1.507 2.894 3.346 1.00 0.00 C ATOM 1017 C LEU A 67 -0.025 2.554 3.512 1.00 0.00 C ATOM 1018 O LEU A 67 0.461 2.417 4.634 1.00 0.00 O ATOM 1019 CB LEU A 67 -1.901 4.244 3.950 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.709 5.465 3.048 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -2.896 6.423 3.162 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -0.379 6.162 3.344 1.00 0.00 C ATOM 0 H LEU A 67 -2.510 1.929 4.911 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.695 2.983 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.949 4.196 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.321 4.395 4.861 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.670 5.123 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.734 7.282 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.809 5.908 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.992 6.762 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.268 7.026 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.363 6.490 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.443 5.467 3.170 1.00 0.00 H new ATOM 1034 N ILE A 68 0.651 2.429 2.380 1.00 0.00 N ATOM 1035 CA ILE A 68 2.069 2.108 2.387 1.00 0.00 C ATOM 1036 C ILE A 68 2.802 3.036 1.417 1.00 0.00 C ATOM 1037 O ILE A 68 2.212 3.528 0.456 1.00 0.00 O ATOM 1038 CB ILE A 68 2.282 0.621 2.095 1.00 0.00 C ATOM 1039 CG1 ILE A 68 2.226 0.343 0.591 1.00 0.00 C ATOM 1040 CG2 ILE A 68 1.286 -0.240 2.875 1.00 0.00 C ATOM 1041 CD1 ILE A 68 0.911 0.846 -0.010 1.00 0.00 C ATOM 0 H ILE A 68 0.244 2.544 1.452 1.00 0.00 H new ATOM 0 HA ILE A 68 2.494 2.280 3.376 1.00 0.00 H new ATOM 0 HB ILE A 68 3.280 0.346 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.066 0.830 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.327 -0.727 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.460 -1.292 2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.419 -0.072 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.269 0.030 2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.896 0.636 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.074 0.340 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.825 1.921 0.150 1.00 0.00 H new ATOM 1053 N GLY A 69 4.079 3.248 1.702 1.00 0.00 N ATOM 1054 CA GLY A 69 4.899 4.109 0.867 1.00 0.00 C ATOM 1055 C GLY A 69 6.202 4.482 1.577 1.00 0.00 C ATOM 1056 O GLY A 69 6.561 3.872 2.584 1.00 0.00 O ATOM 0 H GLY A 69 4.565 2.838 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.124 3.603 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.345 5.014 0.617 1.00 0.00 H new ATOM 1060 N ASP A 70 6.874 5.481 1.025 1.00 0.00 N ATOM 1061 CA ASP A 70 8.130 5.942 1.594 1.00 0.00 C ATOM 1062 C ASP A 70 8.045 7.448 1.853 1.00 0.00 C ATOM 1063 O ASP A 70 7.017 8.069 1.589 1.00 0.00 O ATOM 1064 CB ASP A 70 9.294 5.693 0.632 1.00 0.00 C ATOM 1065 CG ASP A 70 10.673 5.620 1.292 1.00 0.00 C ATOM 1066 OD1 ASP A 70 10.764 6.044 2.464 1.00 0.00 O ATOM 1067 OD2 ASP A 70 11.604 5.143 0.608 1.00 0.00 O ATOM 0 H ASP A 70 6.573 5.984 0.190 1.00 0.00 H new ATOM 0 HA ASP A 70 8.303 5.393 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.113 4.759 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.306 6.488 -0.114 1.00 0.00 H new ATOM 1072 N GLU A 71 9.139 7.990 2.367 1.00 0.00 N ATOM 1073 CA GLU A 71 9.200 9.411 2.665 1.00 0.00 C ATOM 1074 C GLU A 71 8.645 10.223 1.494 1.00 0.00 C ATOM 1075 O GLU A 71 8.013 11.259 1.696 1.00 0.00 O ATOM 1076 CB GLU A 71 10.630 9.839 3.001 1.00 0.00 C ATOM 1077 CG GLU A 71 11.565 9.610 1.811 1.00 0.00 C ATOM 1078 CD GLU A 71 13.030 9.751 2.229 1.00 0.00 C ATOM 1079 OE1 GLU A 71 13.317 9.437 3.404 1.00 0.00 O ATOM 1080 OE2 GLU A 71 13.829 10.170 1.364 1.00 0.00 O ATOM 0 H GLU A 71 9.990 7.471 2.585 1.00 0.00 H new ATOM 0 HA GLU A 71 8.582 9.606 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.642 10.893 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.989 9.277 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.395 8.616 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.338 10.327 1.022 1.00 0.00 H new ATOM 1087 N THR A 72 8.902 9.724 0.294 1.00 0.00 N ATOM 1088 CA THR A 72 8.436 10.390 -0.910 1.00 0.00 C ATOM 1089 C THR A 72 6.917 10.563 -0.870 1.00 0.00 C ATOM 1090 O THR A 72 6.419 11.647 -0.566 1.00 0.00 O ATOM 1091 CB THR A 72 8.924 9.585 -2.116 1.00 0.00 C ATOM 1092 OG1 THR A 72 8.542 8.245 -1.816 1.00 0.00 O ATOM 1093 CG2 THR A 72 10.451 9.526 -2.202 1.00 0.00 C ATOM 0 H THR A 72 9.428 8.865 0.130 1.00 0.00 H new ATOM 0 HA THR A 72 8.845 11.398 -0.987 1.00 0.00 H new ATOM 0 HB THR A 72 8.525 10.024 -3.031 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.364 7.761 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.744 8.943 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.850 10.537 -2.290 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.848 9.056 -1.302 1.00 0.00 H new ATOM 1101 N GLY A 73 6.221 9.479 -1.180 1.00 0.00 N ATOM 1102 CA GLY A 73 4.769 9.497 -1.183 1.00 0.00 C ATOM 1103 C GLY A 73 4.202 8.131 -0.789 1.00 0.00 C ATOM 1104 O GLY A 73 4.949 7.235 -0.400 1.00 0.00 O ATOM 0 H GLY A 73 6.637 8.582 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.410 10.257 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.407 9.773 -2.174 1.00 0.00 H new ATOM 1108 N CYS A 74 2.887 8.016 -0.903 1.00 0.00 N ATOM 1109 CA CYS A 74 2.213 6.775 -0.563 1.00 0.00 C ATOM 1110 C CYS A 74 1.145 6.502 -1.625 1.00 0.00 C ATOM 1111 O CYS A 74 0.881 7.349 -2.477 1.00 0.00 O ATOM 1112 CB CYS A 74 1.617 6.822 0.846 1.00 0.00 C ATOM 1113 SG CYS A 74 0.911 8.479 1.171 1.00 0.00 S ATOM 0 H CYS A 74 2.271 8.762 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 74 2.934 5.957 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.843 6.061 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.387 6.594 1.583 1.00 0.00 H new ATOM 0 HG CYS A 74 1.841 9.265 1.625 1.00 0.00 H new ATOM 1119 N ILE A 75 0.561 5.316 -1.540 1.00 0.00 N ATOM 1120 CA ILE A 75 -0.471 4.921 -2.482 1.00 0.00 C ATOM 1121 C ILE A 75 -1.410 3.915 -1.813 1.00 0.00 C ATOM 1122 O ILE A 75 -1.067 3.328 -0.787 1.00 0.00 O ATOM 1123 CB ILE A 75 0.156 4.407 -3.780 1.00 0.00 C ATOM 1124 CG1 ILE A 75 0.244 2.879 -3.779 1.00 0.00 C ATOM 1125 CG2 ILE A 75 1.518 5.059 -4.026 1.00 0.00 C ATOM 1126 CD1 ILE A 75 1.304 2.391 -2.789 1.00 0.00 C ATOM 0 H ILE A 75 0.783 4.616 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.076 5.782 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.492 4.692 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.726 2.456 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.486 2.525 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.942 4.677 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.396 6.140 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.188 4.826 -3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.346 1.302 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.277 2.797 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.046 2.726 -1.785 1.00 0.00 H new ATOM 1138 N LEU A 76 -2.576 3.747 -2.420 1.00 0.00 N ATOM 1139 CA LEU A 76 -3.566 2.822 -1.895 1.00 0.00 C ATOM 1140 C LEU A 76 -3.341 1.439 -2.508 1.00 0.00 C ATOM 1141 O LEU A 76 -3.725 1.193 -3.651 1.00 0.00 O ATOM 1142 CB LEU A 76 -4.978 3.370 -2.112 1.00 0.00 C ATOM 1143 CG LEU A 76 -5.947 3.211 -0.939 1.00 0.00 C ATOM 1144 CD1 LEU A 76 -5.758 1.857 -0.251 1.00 0.00 C ATOM 1145 CD2 LEU A 76 -5.814 4.376 0.044 1.00 0.00 C ATOM 0 H LEU A 76 -2.857 4.236 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.453 2.714 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.902 4.430 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.408 2.875 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.964 3.234 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.459 1.770 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.942 1.056 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.738 1.779 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.514 4.238 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.797 4.409 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.037 5.312 -0.469 1.00 0.00 H new ATOM 1157 N PHE A 77 -2.721 0.571 -1.722 1.00 0.00 N ATOM 1158 CA PHE A 77 -2.441 -0.781 -2.174 1.00 0.00 C ATOM 1159 C PHE A 77 -3.396 -1.785 -1.524 1.00 0.00 C ATOM 1160 O PHE A 77 -3.698 -1.681 -0.337 1.00 0.00 O ATOM 1161 CB PHE A 77 -1.009 -1.108 -1.746 1.00 0.00 C ATOM 1162 CG PHE A 77 -0.656 -2.594 -1.838 1.00 0.00 C ATOM 1163 CD1 PHE A 77 -1.202 -3.478 -0.961 1.00 0.00 C ATOM 1164 CD2 PHE A 77 0.204 -3.030 -2.797 1.00 0.00 C ATOM 1165 CE1 PHE A 77 -0.874 -4.857 -1.046 1.00 0.00 C ATOM 1166 CE2 PHE A 77 0.532 -4.409 -2.882 1.00 0.00 C ATOM 1167 CZ PHE A 77 -0.014 -5.293 -2.005 1.00 0.00 C ATOM 0 H PHE A 77 -2.405 0.778 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.568 -0.846 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.316 -0.541 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.862 -0.773 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.885 -3.131 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.637 -2.328 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.307 -5.559 -0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.215 -4.756 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.235 -6.342 -2.070 1.00 0.00 H new ATOM 1177 N THR A 78 -3.845 -2.734 -2.333 1.00 0.00 N ATOM 1178 CA THR A 78 -4.760 -3.755 -1.852 1.00 0.00 C ATOM 1179 C THR A 78 -3.987 -5.006 -1.429 1.00 0.00 C ATOM 1180 O THR A 78 -3.144 -5.501 -2.175 1.00 0.00 O ATOM 1181 CB THR A 78 -5.792 -4.020 -2.949 1.00 0.00 C ATOM 1182 OG1 THR A 78 -6.541 -2.810 -3.021 1.00 0.00 O ATOM 1183 CG2 THR A 78 -6.824 -5.074 -2.541 1.00 0.00 C ATOM 0 H THR A 78 -3.592 -2.817 -3.318 1.00 0.00 H new ATOM 0 HA THR A 78 -5.291 -3.422 -0.960 1.00 0.00 H new ATOM 0 HB THR A 78 -5.282 -4.344 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.233 -2.894 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.533 -5.224 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.317 -6.014 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.358 -4.736 -1.653 1.00 0.00 H new ATOM 1191 N ALA A 79 -4.303 -5.482 -0.234 1.00 0.00 N ATOM 1192 CA ALA A 79 -3.650 -6.666 0.297 1.00 0.00 C ATOM 1193 C ALA A 79 -4.694 -7.760 0.527 1.00 0.00 C ATOM 1194 O ALA A 79 -5.766 -7.496 1.070 1.00 0.00 O ATOM 1195 CB ALA A 79 -2.894 -6.302 1.577 1.00 0.00 C ATOM 0 H ALA A 79 -5.003 -5.069 0.382 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.920 -7.052 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.404 -7.190 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.144 -5.543 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.595 -5.912 2.315 1.00 0.00 H new ATOM 1201 N ARG A 80 -4.345 -8.966 0.103 1.00 0.00 N ATOM 1202 CA ARG A 80 -5.239 -10.101 0.256 1.00 0.00 C ATOM 1203 C ARG A 80 -5.283 -10.548 1.719 1.00 0.00 C ATOM 1204 O ARG A 80 -4.516 -10.057 2.545 1.00 0.00 O ATOM 1205 CB ARG A 80 -4.792 -11.276 -0.616 1.00 0.00 C ATOM 1206 CG ARG A 80 -4.915 -10.934 -2.102 1.00 0.00 C ATOM 1207 CD ARG A 80 -5.933 -11.843 -2.792 1.00 0.00 C ATOM 1208 NE ARG A 80 -6.667 -11.086 -3.830 1.00 0.00 N ATOM 1209 CZ ARG A 80 -7.612 -11.615 -4.619 1.00 0.00 C ATOM 1210 NH1 ARG A 80 -7.942 -12.908 -4.495 1.00 0.00 N ATOM 1211 NH2 ARG A 80 -8.225 -10.852 -5.534 1.00 0.00 N ATOM 0 H ARG A 80 -3.455 -9.182 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.233 -9.786 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.759 -11.534 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.399 -12.153 -0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.217 -9.893 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.943 -11.039 -2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.425 -12.695 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.633 -12.242 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.439 -10.099 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.474 -13.489 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.661 -13.311 -5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.972 -9.868 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.944 -11.255 -6.135 1.00 0.00 H new ATOM 1225 N ASN A 81 -6.189 -11.475 1.994 1.00 0.00 N ATOM 1226 CA ASN A 81 -6.344 -11.994 3.342 1.00 0.00 C ATOM 1227 C ASN A 81 -4.984 -12.468 3.860 1.00 0.00 C ATOM 1228 O ASN A 81 -4.787 -12.598 5.067 1.00 0.00 O ATOM 1229 CB ASN A 81 -7.302 -13.187 3.367 1.00 0.00 C ATOM 1230 CG ASN A 81 -6.680 -14.404 2.680 1.00 0.00 C ATOM 1231 OD1 ASN A 81 -6.703 -14.544 1.468 1.00 0.00 O ATOM 1232 ND2 ASN A 81 -6.124 -15.273 3.519 1.00 0.00 N ATOM 0 H ASN A 81 -6.823 -11.880 1.306 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.746 -11.196 3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.552 -13.436 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.234 -12.920 2.868 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.681 -16.118 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.140 -15.094 4.523 1.00 0.00 H new ATOM 1239 N ASP A 82 -4.082 -12.715 2.922 1.00 0.00 N ATOM 1240 CA ASP A 82 -2.747 -13.172 3.268 1.00 0.00 C ATOM 1241 C ASP A 82 -1.815 -11.965 3.387 1.00 0.00 C ATOM 1242 O ASP A 82 -1.167 -11.776 4.416 1.00 0.00 O ATOM 1243 CB ASP A 82 -2.185 -14.099 2.189 1.00 0.00 C ATOM 1244 CG ASP A 82 -2.361 -15.593 2.464 1.00 0.00 C ATOM 1245 OD1 ASP A 82 -2.247 -15.969 3.651 1.00 0.00 O ATOM 1246 OD2 ASP A 82 -2.605 -16.327 1.482 1.00 0.00 O ATOM 0 H ASP A 82 -4.250 -12.607 1.922 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.810 -13.714 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.666 -13.861 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.122 -13.890 2.069 1.00 0.00 H new ATOM 1251 N GLN A 83 -1.775 -11.180 2.321 1.00 0.00 N ATOM 1252 CA GLN A 83 -0.933 -9.997 2.293 1.00 0.00 C ATOM 1253 C GLN A 83 -1.317 -9.044 3.427 1.00 0.00 C ATOM 1254 O GLN A 83 -0.449 -8.490 4.099 1.00 0.00 O ATOM 1255 CB GLN A 83 -1.016 -9.295 0.936 1.00 0.00 C ATOM 1256 CG GLN A 83 -0.849 -10.296 -0.209 1.00 0.00 C ATOM 1257 CD GLN A 83 0.258 -9.851 -1.168 1.00 0.00 C ATOM 1258 OE1 GLN A 83 1.162 -10.599 -1.502 1.00 0.00 O ATOM 1259 NE2 GLN A 83 0.136 -8.596 -1.590 1.00 0.00 N ATOM 0 H GLN A 83 -2.313 -11.340 1.469 1.00 0.00 H new ATOM 0 HA GLN A 83 0.101 -10.309 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.976 -8.787 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.243 -8.529 0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.611 -11.280 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.789 -10.393 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.646 -8.024 -1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.824 -8.205 -2.233 1.00 0.00 H new ATOM 1268 N VAL A 84 -2.620 -8.883 3.605 1.00 0.00 N ATOM 1269 CA VAL A 84 -3.131 -8.007 4.646 1.00 0.00 C ATOM 1270 C VAL A 84 -2.253 -8.138 5.892 1.00 0.00 C ATOM 1271 O VAL A 84 -1.979 -7.149 6.570 1.00 0.00 O ATOM 1272 CB VAL A 84 -4.604 -8.320 4.917 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -4.748 -9.575 5.781 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -5.308 -7.125 5.563 1.00 0.00 C ATOM 0 H VAL A 84 -3.337 -9.344 3.046 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.088 -6.966 4.325 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.087 -8.516 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.805 -9.775 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.299 -10.425 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.243 -9.420 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.354 -7.374 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.822 -6.884 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.251 -6.265 4.896 1.00 0.00 H new ATOM 1284 N ASP A 85 -1.836 -9.368 6.157 1.00 0.00 N ATOM 1285 CA ASP A 85 -0.995 -9.641 7.310 1.00 0.00 C ATOM 1286 C ASP A 85 0.335 -8.901 7.153 1.00 0.00 C ATOM 1287 O ASP A 85 0.718 -8.113 8.017 1.00 0.00 O ATOM 1288 CB ASP A 85 -0.693 -11.136 7.430 1.00 0.00 C ATOM 1289 CG ASP A 85 -1.904 -12.017 7.743 1.00 0.00 C ATOM 1290 OD1 ASP A 85 -2.878 -11.941 6.963 1.00 0.00 O ATOM 1291 OD2 ASP A 85 -1.828 -12.747 8.754 1.00 0.00 O ATOM 0 H ASP A 85 -2.065 -10.186 5.593 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.527 -9.308 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.246 -11.477 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.053 -11.279 8.212 1.00 0.00 H new ATOM 1296 N LEU A 86 1.003 -9.180 6.043 1.00 0.00 N ATOM 1297 CA LEU A 86 2.282 -8.551 5.761 1.00 0.00 C ATOM 1298 C LEU A 86 2.079 -7.042 5.602 1.00 0.00 C ATOM 1299 O LEU A 86 3.007 -6.262 5.810 1.00 0.00 O ATOM 1300 CB LEU A 86 2.949 -9.212 4.553 1.00 0.00 C ATOM 1301 CG LEU A 86 3.376 -10.670 4.738 1.00 0.00 C ATOM 1302 CD1 LEU A 86 2.935 -11.524 3.548 1.00 0.00 C ATOM 1303 CD2 LEU A 86 4.881 -10.773 4.992 1.00 0.00 C ATOM 0 H LEU A 86 0.682 -9.833 5.328 1.00 0.00 H new ATOM 0 HA LEU A 86 2.970 -8.695 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.261 -9.160 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.829 -8.628 4.284 1.00 0.00 H new ATOM 0 HG LEU A 86 2.874 -11.064 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.250 -12.556 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.850 -11.486 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.390 -11.139 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.158 -11.820 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.423 -10.356 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.137 -10.217 5.894 1.00 0.00 H new ATOM 1315 N MET A 87 0.860 -6.677 5.235 1.00 0.00 N ATOM 1316 CA MET A 87 0.523 -5.276 5.045 1.00 0.00 C ATOM 1317 C MET A 87 -0.127 -4.694 6.302 1.00 0.00 C ATOM 1318 O MET A 87 -1.056 -3.892 6.210 1.00 0.00 O ATOM 1319 CB MET A 87 -0.436 -5.136 3.862 1.00 0.00 C ATOM 1320 CG MET A 87 0.179 -5.714 2.586 1.00 0.00 C ATOM 1321 SD MET A 87 1.607 -4.755 2.109 1.00 0.00 S ATOM 1322 CE MET A 87 0.938 -3.107 2.260 1.00 0.00 C ATOM 0 H MET A 87 0.093 -7.327 5.064 1.00 0.00 H new ATOM 0 HA MET A 87 1.442 -4.725 4.845 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.371 -5.650 4.084 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.679 -4.085 3.709 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.466 -6.753 2.749 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.558 -5.709 1.783 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.524 -2.419 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.097 -3.102 1.919 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.978 -2.792 3.303 1.00 0.00 H new ATOM 1332 N LYS A 88 0.386 -5.120 7.447 1.00 0.00 N ATOM 1333 CA LYS A 88 -0.133 -4.650 8.720 1.00 0.00 C ATOM 1334 C LYS A 88 0.323 -3.208 8.952 1.00 0.00 C ATOM 1335 O LYS A 88 1.335 -2.777 8.401 1.00 0.00 O ATOM 1336 CB LYS A 88 0.262 -5.609 9.846 1.00 0.00 C ATOM 1337 CG LYS A 88 -0.853 -6.619 10.122 1.00 0.00 C ATOM 1338 CD LYS A 88 -1.294 -6.563 11.586 1.00 0.00 C ATOM 1339 CE LYS A 88 -0.778 -7.778 12.360 1.00 0.00 C ATOM 1340 NZ LYS A 88 -1.263 -7.746 13.758 1.00 0.00 N ATOM 0 H LYS A 88 1.156 -5.785 7.520 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.223 -4.641 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.177 -6.137 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.477 -5.043 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.705 -6.412 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.506 -7.624 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.921 -5.648 12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.382 -6.527 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.112 -8.695 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.312 -7.789 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.904 -8.577 14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.924 -6.880 14.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.303 -7.758 13.765 1.00 0.00 H new ATOM 1354 N PRO A 89 -0.466 -2.484 9.790 1.00 0.00 N ATOM 1355 CA PRO A 89 -0.154 -1.099 10.101 1.00 0.00 C ATOM 1356 C PRO A 89 1.023 -1.008 11.075 1.00 0.00 C ATOM 1357 O PRO A 89 1.051 -1.706 12.087 1.00 0.00 O ATOM 1358 CB PRO A 89 -1.441 -0.524 10.669 1.00 0.00 C ATOM 1359 CG PRO A 89 -2.283 -1.719 11.087 1.00 0.00 C ATOM 1360 CD PRO A 89 -1.672 -2.961 10.460 1.00 0.00 C ATOM 0 HA PRO A 89 0.167 -0.533 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.236 0.126 11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.961 0.079 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.304 -1.810 12.173 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.314 -1.593 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.435 -3.710 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.359 -3.427 9.754 1.00 0.00 H new ATOM 1368 N GLY A 90 1.966 -0.142 10.734 1.00 0.00 N ATOM 1369 CA GLY A 90 3.142 0.049 11.566 1.00 0.00 C ATOM 1370 C GLY A 90 4.201 -1.015 11.270 1.00 0.00 C ATOM 1371 O GLY A 90 5.072 -1.276 12.099 1.00 0.00 O ATOM 0 H GLY A 90 1.940 0.435 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.559 1.041 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.859 0.003 12.618 1.00 0.00 H new ATOM 1375 N ALA A 91 4.092 -1.600 10.087 1.00 0.00 N ATOM 1376 CA ALA A 91 5.030 -2.630 9.671 1.00 0.00 C ATOM 1377 C ALA A 91 5.675 -2.221 8.346 1.00 0.00 C ATOM 1378 O ALA A 91 5.075 -1.490 7.559 1.00 0.00 O ATOM 1379 CB ALA A 91 4.304 -3.973 9.577 1.00 0.00 C ATOM 0 H ALA A 91 3.368 -1.381 9.402 1.00 0.00 H new ATOM 0 HA ALA A 91 5.828 -2.742 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.007 -4.746 9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.889 -4.232 10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.497 -3.900 8.847 1.00 0.00 H new ATOM 1385 N THR A 92 6.889 -2.711 8.139 1.00 0.00 N ATOM 1386 CA THR A 92 7.622 -2.406 6.922 1.00 0.00 C ATOM 1387 C THR A 92 7.740 -3.653 6.044 1.00 0.00 C ATOM 1388 O THR A 92 8.175 -4.705 6.510 1.00 0.00 O ATOM 1389 CB THR A 92 8.974 -1.813 7.321 1.00 0.00 C ATOM 1390 OG1 THR A 92 8.636 -0.697 8.140 1.00 0.00 O ATOM 1391 CG2 THR A 92 9.715 -1.193 6.134 1.00 0.00 C ATOM 0 H THR A 92 7.383 -3.317 8.794 1.00 0.00 H new ATOM 0 HA THR A 92 7.094 -1.670 6.316 1.00 0.00 H new ATOM 0 HB THR A 92 9.593 -2.590 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.730 -0.944 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.668 -0.787 6.472 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.894 -1.957 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.111 -0.393 5.706 1.00 0.00 H new ATOM 1399 N VAL A 93 7.345 -3.494 4.790 1.00 0.00 N ATOM 1400 CA VAL A 93 7.402 -4.594 3.842 1.00 0.00 C ATOM 1401 C VAL A 93 7.848 -4.065 2.478 1.00 0.00 C ATOM 1402 O VAL A 93 7.686 -2.881 2.184 1.00 0.00 O ATOM 1403 CB VAL A 93 6.051 -5.312 3.792 1.00 0.00 C ATOM 1404 CG1 VAL A 93 5.734 -5.977 5.133 1.00 0.00 C ATOM 1405 CG2 VAL A 93 4.935 -4.351 3.379 1.00 0.00 C ATOM 0 H VAL A 93 6.984 -2.620 4.408 1.00 0.00 H new ATOM 0 HA VAL A 93 8.137 -5.333 4.160 1.00 0.00 H new ATOM 0 HB VAL A 93 6.115 -6.095 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.769 -6.480 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.509 -6.706 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.698 -5.219 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.986 -4.886 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.871 -3.536 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.152 -3.945 2.391 1.00 0.00 H new ATOM 1415 N ILE A 94 8.402 -4.967 1.681 1.00 0.00 N ATOM 1416 CA ILE A 94 8.872 -4.605 0.355 1.00 0.00 C ATOM 1417 C ILE A 94 7.980 -5.267 -0.697 1.00 0.00 C ATOM 1418 O ILE A 94 7.326 -6.271 -0.418 1.00 0.00 O ATOM 1419 CB ILE A 94 10.357 -4.943 0.203 1.00 0.00 C ATOM 1420 CG1 ILE A 94 11.235 -3.804 0.724 1.00 0.00 C ATOM 1421 CG2 ILE A 94 10.691 -5.307 -1.246 1.00 0.00 C ATOM 1422 CD1 ILE A 94 12.663 -4.287 0.984 1.00 0.00 C ATOM 0 H ILE A 94 8.536 -5.948 1.928 1.00 0.00 H new ATOM 0 HA ILE A 94 8.796 -3.528 0.205 1.00 0.00 H new ATOM 0 HB ILE A 94 10.572 -5.820 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.249 -2.990 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.809 -3.404 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.752 -5.543 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.103 -6.173 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.456 -4.464 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.266 -3.458 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.648 -5.084 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.094 -4.664 0.057 1.00 0.00 H new ATOM 1434 N LEU A 95 7.982 -4.679 -1.884 1.00 0.00 N ATOM 1435 CA LEU A 95 7.181 -5.199 -2.979 1.00 0.00 C ATOM 1436 C LEU A 95 8.102 -5.605 -4.131 1.00 0.00 C ATOM 1437 O LEU A 95 8.833 -4.775 -4.668 1.00 0.00 O ATOM 1438 CB LEU A 95 6.102 -4.191 -3.380 1.00 0.00 C ATOM 1439 CG LEU A 95 4.662 -4.576 -3.033 1.00 0.00 C ATOM 1440 CD1 LEU A 95 4.523 -4.891 -1.542 1.00 0.00 C ATOM 1441 CD2 LEU A 95 3.681 -3.492 -3.484 1.00 0.00 C ATOM 0 H LEU A 95 8.526 -3.847 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 95 6.646 -6.096 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.328 -3.238 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.165 -4.030 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 95 4.410 -5.485 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.490 -5.162 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.179 -5.722 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.801 -4.014 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.665 -3.790 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.922 -2.553 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.757 -3.359 -4.563 1.00 0.00 H new ATOM 1453 N ARG A 96 8.036 -6.883 -4.477 1.00 0.00 N ATOM 1454 CA ARG A 96 8.855 -7.409 -5.556 1.00 0.00 C ATOM 1455 C ARG A 96 7.976 -7.813 -6.741 1.00 0.00 C ATOM 1456 O ARG A 96 7.094 -8.660 -6.604 1.00 0.00 O ATOM 1457 CB ARG A 96 9.664 -8.622 -5.092 1.00 0.00 C ATOM 1458 CG ARG A 96 10.926 -8.186 -4.345 1.00 0.00 C ATOM 1459 CD ARG A 96 11.216 -9.121 -3.169 1.00 0.00 C ATOM 1460 NE ARG A 96 12.195 -10.154 -3.573 1.00 0.00 N ATOM 1461 CZ ARG A 96 12.339 -11.335 -2.956 1.00 0.00 C ATOM 1462 NH1 ARG A 96 11.568 -11.639 -1.903 1.00 0.00 N ATOM 1463 NH2 ARG A 96 13.254 -12.212 -3.392 1.00 0.00 N ATOM 0 H ARG A 96 7.428 -7.569 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 96 9.545 -6.623 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.050 -9.246 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.939 -9.231 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.775 -8.182 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.804 -7.166 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.605 -8.549 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.293 -9.594 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 96 12.798 -9.955 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.872 -10.972 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.677 -12.538 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.841 -11.981 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.363 -13.111 -2.922 1.00 0.00 H new ATOM 1477 N ASN A 97 8.247 -7.189 -7.878 1.00 0.00 N ATOM 1478 CA ASN A 97 7.491 -7.474 -9.086 1.00 0.00 C ATOM 1479 C ASN A 97 6.111 -6.821 -8.985 1.00 0.00 C ATOM 1480 O ASN A 97 5.182 -7.214 -9.688 1.00 0.00 O ATOM 1481 CB ASN A 97 7.290 -8.979 -9.268 1.00 0.00 C ATOM 1482 CG ASN A 97 7.488 -9.386 -10.730 1.00 0.00 C ATOM 1483 OD1 ASN A 97 8.512 -9.127 -11.340 1.00 0.00 O ATOM 1484 ND2 ASN A 97 6.453 -10.036 -11.255 1.00 0.00 N ATOM 0 H ASN A 97 8.979 -6.487 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 97 8.051 -7.080 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.993 -9.522 -8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.288 -9.258 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.487 -10.350 -12.225 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.625 -10.220 -10.688 1.00 0.00 H new ATOM 1491 N SER A 98 6.021 -5.835 -8.105 1.00 0.00 N ATOM 1492 CA SER A 98 4.770 -5.124 -7.902 1.00 0.00 C ATOM 1493 C SER A 98 4.404 -4.340 -9.164 1.00 0.00 C ATOM 1494 O SER A 98 5.176 -3.498 -9.621 1.00 0.00 O ATOM 1495 CB SER A 98 4.860 -4.184 -6.699 1.00 0.00 C ATOM 1496 OG SER A 98 6.006 -3.340 -6.765 1.00 0.00 O ATOM 0 H SER A 98 6.794 -5.511 -7.524 1.00 0.00 H new ATOM 0 HA SER A 98 3.989 -5.856 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.960 -3.570 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.895 -4.772 -5.782 1.00 0.00 H new ATOM 0 HG SER A 98 6.815 -3.890 -6.813 1.00 0.00 H new ATOM 1502 N ARG A 99 3.227 -4.644 -9.690 1.00 0.00 N ATOM 1503 CA ARG A 99 2.750 -3.977 -10.890 1.00 0.00 C ATOM 1504 C ARG A 99 1.701 -2.923 -10.530 1.00 0.00 C ATOM 1505 O ARG A 99 0.894 -3.129 -9.625 1.00 0.00 O ATOM 1506 CB ARG A 99 2.139 -4.980 -11.871 1.00 0.00 C ATOM 1507 CG ARG A 99 1.212 -5.959 -11.149 1.00 0.00 C ATOM 1508 CD ARG A 99 0.280 -6.663 -12.137 1.00 0.00 C ATOM 1509 NE ARG A 99 -0.636 -5.679 -12.757 1.00 0.00 N ATOM 1510 CZ ARG A 99 -1.592 -5.996 -13.640 1.00 0.00 C ATOM 1511 NH1 ARG A 99 -1.764 -7.272 -14.014 1.00 0.00 N ATOM 1512 NH2 ARG A 99 -2.377 -5.037 -14.150 1.00 0.00 N ATOM 0 H ARG A 99 2.590 -5.343 -9.308 1.00 0.00 H new ATOM 0 HA ARG A 99 3.605 -3.496 -11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.582 -4.447 -12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.933 -5.530 -12.375 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.806 -6.700 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.622 -5.425 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.865 -7.164 -12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.294 -7.433 -11.622 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.533 -4.699 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.167 -8.002 -13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.492 -7.513 -14.686 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.246 -4.066 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.105 -5.278 -14.822 1.00 0.00 H new ATOM 1526 N ILE A 100 1.746 -1.817 -11.258 1.00 0.00 N ATOM 1527 CA ILE A 100 0.809 -0.730 -11.027 1.00 0.00 C ATOM 1528 C ILE A 100 -0.462 -0.977 -11.841 1.00 0.00 C ATOM 1529 O ILE A 100 -0.394 -1.248 -13.039 1.00 0.00 O ATOM 1530 CB ILE A 100 1.472 0.618 -11.314 1.00 0.00 C ATOM 1531 CG1 ILE A 100 2.609 0.892 -10.327 1.00 0.00 C ATOM 1532 CG2 ILE A 100 0.438 1.746 -11.324 1.00 0.00 C ATOM 1533 CD1 ILE A 100 2.061 1.205 -8.933 1.00 0.00 C ATOM 0 H ILE A 100 2.417 -1.650 -12.008 1.00 0.00 H new ATOM 0 HA ILE A 100 0.514 -0.697 -9.978 1.00 0.00 H new ATOM 0 HB ILE A 100 1.913 0.576 -12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.268 0.025 -10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.210 1.729 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.935 2.694 -11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.306 1.551 -12.096 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.053 1.798 -10.352 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.889 1.396 -8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.422 2.086 -8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.481 0.356 -8.571 1.00 0.00 H new ATOM 1545 N ASP A 101 -1.593 -0.873 -11.159 1.00 0.00 N ATOM 1546 CA ASP A 101 -2.879 -1.082 -11.804 1.00 0.00 C ATOM 1547 C ASP A 101 -3.451 0.269 -12.238 1.00 0.00 C ATOM 1548 O ASP A 101 -3.581 1.183 -11.424 1.00 0.00 O ATOM 1549 CB ASP A 101 -3.877 -1.733 -10.845 1.00 0.00 C ATOM 1550 CG ASP A 101 -3.298 -2.839 -9.961 1.00 0.00 C ATOM 1551 OD1 ASP A 101 -3.035 -3.928 -10.515 1.00 0.00 O ATOM 1552 OD2 ASP A 101 -3.132 -2.571 -8.752 1.00 0.00 O ATOM 0 H ASP A 101 -1.646 -0.647 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.725 -1.737 -12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.299 -0.959 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.700 -2.148 -11.427 1.00 0.00 H new ATOM 1557 N MET A 102 -3.779 0.353 -13.519 1.00 0.00 N ATOM 1558 CA MET A 102 -4.335 1.577 -14.070 1.00 0.00 C ATOM 1559 C MET A 102 -5.816 1.717 -13.712 1.00 0.00 C ATOM 1560 O MET A 102 -6.674 1.120 -14.361 1.00 0.00 O ATOM 1561 CB MET A 102 -4.176 1.570 -15.592 1.00 0.00 C ATOM 1562 CG MET A 102 -4.055 2.994 -16.137 1.00 0.00 C ATOM 1563 SD MET A 102 -2.622 3.796 -15.439 1.00 0.00 S ATOM 1564 CE MET A 102 -3.407 5.170 -14.613 1.00 0.00 C ATOM 0 H MET A 102 -3.670 -0.407 -14.191 1.00 0.00 H new ATOM 0 HA MET A 102 -3.796 2.423 -13.643 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.291 0.995 -15.866 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.032 1.074 -16.048 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.975 2.970 -17.224 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.953 3.562 -15.895 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.148 6.098 -15.123 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.489 5.036 -14.632 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.065 5.217 -13.579 1.00 0.00 H new ATOM 1574 N PHE A 103 -6.070 2.509 -12.681 1.00 0.00 N ATOM 1575 CA PHE A 103 -7.433 2.734 -12.229 1.00 0.00 C ATOM 1576 C PHE A 103 -8.065 3.918 -12.963 1.00 0.00 C ATOM 1577 O PHE A 103 -7.359 4.755 -13.523 1.00 0.00 O ATOM 1578 CB PHE A 103 -7.361 3.055 -10.735 1.00 0.00 C ATOM 1579 CG PHE A 103 -8.585 2.596 -9.940 1.00 0.00 C ATOM 1580 CD1 PHE A 103 -8.669 1.311 -9.502 1.00 0.00 C ATOM 1581 CD2 PHE A 103 -9.590 3.473 -9.673 1.00 0.00 C ATOM 1582 CE1 PHE A 103 -9.806 0.886 -8.764 1.00 0.00 C ATOM 1583 CE2 PHE A 103 -10.726 3.047 -8.935 1.00 0.00 C ATOM 1584 CZ PHE A 103 -10.810 1.762 -8.497 1.00 0.00 C ATOM 0 H PHE A 103 -5.356 3.003 -12.146 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.041 1.852 -12.427 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.471 2.586 -10.316 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -7.242 4.131 -10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.872 0.614 -9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.524 4.493 -10.022 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.873 -0.134 -8.415 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.523 3.743 -8.721 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.675 1.438 -7.937 1.00 0.00 H new ATOM 1594 N LYS A 104 -9.389 3.952 -12.936 1.00 0.00 N ATOM 1595 CA LYS A 104 -10.125 5.019 -13.592 1.00 0.00 C ATOM 1596 C LYS A 104 -9.410 6.350 -13.348 1.00 0.00 C ATOM 1597 O LYS A 104 -9.596 6.977 -12.306 1.00 0.00 O ATOM 1598 CB LYS A 104 -11.588 5.016 -13.143 1.00 0.00 C ATOM 1599 CG LYS A 104 -11.695 5.149 -11.623 1.00 0.00 C ATOM 1600 CD LYS A 104 -12.810 6.122 -11.235 1.00 0.00 C ATOM 1601 CE LYS A 104 -13.664 5.553 -10.099 1.00 0.00 C ATOM 1602 NZ LYS A 104 -15.064 5.372 -10.544 1.00 0.00 N ATOM 0 H LYS A 104 -9.972 3.257 -12.469 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.146 4.860 -14.670 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.121 5.837 -13.622 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.069 4.093 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.890 4.172 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.745 5.498 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.376 7.074 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.439 6.324 -12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.254 4.598 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.633 6.225 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.630 4.985 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -15.457 6.290 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -15.090 4.713 -11.349 1.00 0.00 H new ATOM 1616 N GLY A 105 -8.606 6.741 -14.326 1.00 0.00 N ATOM 1617 CA GLY A 105 -7.862 7.986 -14.230 1.00 0.00 C ATOM 1618 C GLY A 105 -7.025 8.027 -12.951 1.00 0.00 C ATOM 1619 O GLY A 105 -6.829 9.092 -12.367 1.00 0.00 O ATOM 0 H GLY A 105 -8.453 6.218 -15.188 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.212 8.093 -15.098 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.553 8.829 -14.244 1.00 0.00 H new ATOM 1623 N THR A 106 -6.553 6.855 -12.552 1.00 0.00 N ATOM 1624 CA THR A 106 -5.741 6.744 -11.352 1.00 0.00 C ATOM 1625 C THR A 106 -4.901 5.466 -11.393 1.00 0.00 C ATOM 1626 O THR A 106 -4.973 4.702 -12.354 1.00 0.00 O ATOM 1627 CB THR A 106 -6.674 6.819 -10.141 1.00 0.00 C ATOM 1628 OG1 THR A 106 -7.918 6.324 -10.630 1.00 0.00 O ATOM 1629 CG2 THR A 106 -6.983 8.259 -9.728 1.00 0.00 C ATOM 0 H THR A 106 -6.717 5.974 -13.039 1.00 0.00 H new ATOM 0 HA THR A 106 -5.026 7.564 -11.281 1.00 0.00 H new ATOM 0 HB THR A 106 -6.222 6.290 -9.302 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.455 7.069 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.648 8.255 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.056 8.770 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.465 8.779 -10.556 1.00 0.00 H new ATOM 1637 N MET A 107 -4.122 5.274 -10.338 1.00 0.00 N ATOM 1638 CA MET A 107 -3.269 4.102 -10.242 1.00 0.00 C ATOM 1639 C MET A 107 -3.082 3.678 -8.783 1.00 0.00 C ATOM 1640 O MET A 107 -3.388 4.440 -7.868 1.00 0.00 O ATOM 1641 CB MET A 107 -1.905 4.411 -10.862 1.00 0.00 C ATOM 1642 CG MET A 107 -1.228 5.579 -10.143 1.00 0.00 C ATOM 1643 SD MET A 107 0.523 5.267 -9.985 1.00 0.00 S ATOM 1644 CE MET A 107 0.785 5.813 -8.306 1.00 0.00 C ATOM 0 H MET A 107 -4.064 5.910 -9.543 1.00 0.00 H new ATOM 0 HA MET A 107 -3.746 3.283 -10.781 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.268 3.528 -10.808 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.028 4.651 -11.918 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.392 6.503 -10.698 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.672 5.716 -9.157 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.713 6.383 -8.249 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.048 6.444 -7.994 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.850 4.947 -7.648 1.00 0.00 H new ATOM 1654 N ARG A 108 -2.581 2.463 -8.613 1.00 0.00 N ATOM 1655 CA ARG A 108 -2.351 1.929 -7.282 1.00 0.00 C ATOM 1656 C ARG A 108 -1.248 0.869 -7.319 1.00 0.00 C ATOM 1657 O ARG A 108 -0.873 0.396 -8.391 1.00 0.00 O ATOM 1658 CB ARG A 108 -3.626 1.308 -6.709 1.00 0.00 C ATOM 1659 CG ARG A 108 -4.696 2.375 -6.470 1.00 0.00 C ATOM 1660 CD ARG A 108 -5.903 1.787 -5.736 1.00 0.00 C ATOM 1661 NE ARG A 108 -6.565 0.771 -6.583 1.00 0.00 N ATOM 1662 CZ ARG A 108 -7.366 -0.194 -6.111 1.00 0.00 C ATOM 1663 NH1 ARG A 108 -7.609 -0.280 -4.796 1.00 0.00 N ATOM 1664 NH2 ARG A 108 -7.925 -1.073 -6.954 1.00 0.00 N ATOM 0 H ARG A 108 -2.328 1.834 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.044 2.756 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.008 0.553 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.398 0.800 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.274 3.193 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.015 2.795 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.583 1.337 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.608 2.579 -5.486 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.402 0.807 -7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.184 0.389 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.219 -1.015 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.741 -1.008 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.535 -1.808 -6.595 1.00 0.00 H new ATOM 1678 N LEU A 109 -0.759 0.527 -6.136 1.00 0.00 N ATOM 1679 CA LEU A 109 0.293 -0.468 -6.020 1.00 0.00 C ATOM 1680 C LEU A 109 -0.331 -1.829 -5.702 1.00 0.00 C ATOM 1681 O LEU A 109 -1.239 -1.922 -4.878 1.00 0.00 O ATOM 1682 CB LEU A 109 1.344 -0.021 -5.002 1.00 0.00 C ATOM 1683 CG LEU A 109 2.591 -0.900 -4.895 1.00 0.00 C ATOM 1684 CD1 LEU A 109 3.331 -0.967 -6.232 1.00 0.00 C ATOM 1685 CD2 LEU A 109 3.501 -0.426 -3.760 1.00 0.00 C ATOM 0 H LEU A 109 -1.072 0.922 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 109 0.824 -0.573 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.658 0.992 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.873 0.027 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 109 2.274 -1.914 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.214 -1.598 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.672 -1.387 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.636 0.036 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.380 -1.068 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.813 0.601 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.959 -0.473 -2.815 1.00 0.00 H new ATOM 1697 N GLY A 110 0.182 -2.850 -6.372 1.00 0.00 N ATOM 1698 CA GLY A 110 -0.313 -4.201 -6.171 1.00 0.00 C ATOM 1699 C GLY A 110 0.748 -5.236 -6.550 1.00 0.00 C ATOM 1700 O GLY A 110 1.855 -4.878 -6.950 1.00 0.00 O ATOM 0 H GLY A 110 0.936 -2.769 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.601 -4.335 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.209 -4.357 -6.772 1.00 0.00 H new ATOM 1704 N VAL A 111 0.372 -6.500 -6.412 1.00 0.00 N ATOM 1705 CA VAL A 111 1.278 -7.589 -6.735 1.00 0.00 C ATOM 1706 C VAL A 111 0.519 -8.662 -7.517 1.00 0.00 C ATOM 1707 O VAL A 111 -0.582 -9.054 -7.133 1.00 0.00 O ATOM 1708 CB VAL A 111 1.927 -8.126 -5.458 1.00 0.00 C ATOM 1709 CG1 VAL A 111 2.588 -9.483 -5.708 1.00 0.00 C ATOM 1710 CG2 VAL A 111 2.932 -7.123 -4.889 1.00 0.00 C ATOM 0 H VAL A 111 -0.547 -6.793 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 111 2.089 -7.235 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 111 1.140 -8.268 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.042 -9.842 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.837 -10.197 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.357 -9.378 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.378 -7.530 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.714 -6.934 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.421 -6.189 -4.655 1.00 0.00 H new ATOM 1720 N ASP A 112 1.137 -9.108 -8.601 1.00 0.00 N ATOM 1721 CA ASP A 112 0.534 -10.129 -9.441 1.00 0.00 C ATOM 1722 C ASP A 112 0.905 -11.512 -8.902 1.00 0.00 C ATOM 1723 O ASP A 112 1.677 -11.624 -7.951 1.00 0.00 O ATOM 1724 CB ASP A 112 1.043 -10.030 -10.880 1.00 0.00 C ATOM 1725 CG ASP A 112 2.530 -9.698 -11.018 1.00 0.00 C ATOM 1726 OD1 ASP A 112 3.316 -10.279 -10.239 1.00 0.00 O ATOM 1727 OD2 ASP A 112 2.848 -8.872 -11.901 1.00 0.00 O ATOM 0 H ASP A 112 2.050 -8.781 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.546 -9.980 -9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.849 -10.977 -11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.466 -9.267 -11.402 1.00 0.00 H new ATOM 1732 N LYS A 113 0.339 -12.529 -9.533 1.00 0.00 N ATOM 1733 CA LYS A 113 0.601 -13.900 -9.129 1.00 0.00 C ATOM 1734 C LYS A 113 2.093 -14.198 -9.289 1.00 0.00 C ATOM 1735 O LYS A 113 2.624 -15.095 -8.636 1.00 0.00 O ATOM 1736 CB LYS A 113 -0.305 -14.867 -9.894 1.00 0.00 C ATOM 1737 CG LYS A 113 0.146 -15.005 -11.350 1.00 0.00 C ATOM 1738 CD LYS A 113 -0.740 -15.996 -12.107 1.00 0.00 C ATOM 1739 CE LYS A 113 -1.487 -15.303 -13.249 1.00 0.00 C ATOM 1740 NZ LYS A 113 -2.301 -14.181 -12.730 1.00 0.00 N ATOM 0 H LYS A 113 -0.300 -12.432 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 113 0.359 -14.039 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.290 -15.844 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.334 -14.510 -9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.110 -14.032 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.183 -15.340 -11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.128 -16.805 -12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.456 -16.447 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.774 -14.933 -13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.129 -16.020 -13.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.130 -14.041 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.617 -14.399 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.729 -13.313 -12.719 1.00 0.00 H new ATOM 1754 N TRP A 114 2.727 -13.429 -10.161 1.00 0.00 N ATOM 1755 CA TRP A 114 4.147 -13.599 -10.415 1.00 0.00 C ATOM 1756 C TRP A 114 4.909 -12.624 -9.515 1.00 0.00 C ATOM 1757 O TRP A 114 6.019 -12.209 -9.843 1.00 0.00 O ATOM 1758 CB TRP A 114 4.465 -13.414 -11.901 1.00 0.00 C ATOM 1759 CG TRP A 114 3.333 -13.842 -12.837 1.00 0.00 C ATOM 1760 CD1 TRP A 114 2.433 -13.063 -13.453 1.00 0.00 C ATOM 1761 CD2 TRP A 114 3.015 -15.190 -13.241 1.00 0.00 C ATOM 1762 NE1 TRP A 114 1.562 -13.808 -14.222 1.00 0.00 N ATOM 1763 CE2 TRP A 114 1.927 -15.143 -14.089 1.00 0.00 C ATOM 1764 CE3 TRP A 114 3.627 -16.410 -12.902 1.00 0.00 C ATOM 1765 CZ2 TRP A 114 1.356 -16.282 -14.668 1.00 0.00 C ATOM 1766 CZ3 TRP A 114 3.044 -17.540 -13.488 1.00 0.00 C ATOM 1767 CH2 TRP A 114 1.949 -17.509 -14.344 1.00 0.00 C ATOM 0 H TRP A 114 2.283 -12.686 -10.701 1.00 0.00 H new ATOM 0 HA TRP A 114 4.462 -14.614 -10.174 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.697 -12.365 -12.085 1.00 0.00 H new ATOM 0 HB3 TRP A 114 5.360 -13.986 -12.145 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.394 -11.988 -13.359 1.00 0.00 H new ATOM 0 HE1 TRP A 114 0.792 -13.446 -14.784 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.479 -16.470 -12.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 0.504 -16.218 -15.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 3.475 -18.503 -13.259 1.00 0.00 H new ATOM 0 HH2 TRP A 114 1.557 -18.427 -14.757 1.00 0.00 H new ATOM 1778 N GLY A 115 4.282 -12.288 -8.397 1.00 0.00 N ATOM 1779 CA GLY A 115 4.887 -11.370 -7.447 1.00 0.00 C ATOM 1780 C GLY A 115 4.452 -11.696 -6.017 1.00 0.00 C ATOM 1781 O GLY A 115 3.299 -12.053 -5.781 1.00 0.00 O ATOM 0 H GLY A 115 3.361 -12.635 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.973 -11.426 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.603 -10.347 -7.693 1.00 0.00 H new ATOM 1785 N ARG A 116 5.398 -11.561 -5.100 1.00 0.00 N ATOM 1786 CA ARG A 116 5.128 -11.836 -3.699 1.00 0.00 C ATOM 1787 C ARG A 116 5.749 -10.753 -2.815 1.00 0.00 C ATOM 1788 O ARG A 116 6.677 -10.062 -3.233 1.00 0.00 O ATOM 1789 CB ARG A 116 5.685 -13.201 -3.288 1.00 0.00 C ATOM 1790 CG ARG A 116 7.190 -13.281 -3.552 1.00 0.00 C ATOM 1791 CD ARG A 116 7.929 -13.852 -2.341 1.00 0.00 C ATOM 1792 NE ARG A 116 7.541 -15.265 -2.131 1.00 0.00 N ATOM 1793 CZ ARG A 116 6.646 -15.671 -1.220 1.00 0.00 C ATOM 1794 NH1 ARG A 116 6.041 -14.774 -0.430 1.00 0.00 N ATOM 1795 NH2 ARG A 116 6.356 -16.974 -1.101 1.00 0.00 N ATOM 0 H ARG A 116 6.353 -11.265 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 116 4.046 -11.842 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.488 -13.375 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 116 5.173 -13.988 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.377 -13.907 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 116 7.576 -12.288 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 116 9.006 -13.781 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.695 -13.266 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 116 7.983 -15.974 -2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 116 6.262 -13.782 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 116 5.360 -15.083 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 116 6.816 -17.656 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.675 -17.284 -0.408 1.00 0.00 H new ATOM 1809 N ILE A 117 5.211 -10.637 -1.610 1.00 0.00 N ATOM 1810 CA ILE A 117 5.701 -9.649 -0.663 1.00 0.00 C ATOM 1811 C ILE A 117 7.002 -10.152 -0.035 1.00 0.00 C ATOM 1812 O ILE A 117 7.257 -11.355 -0.005 1.00 0.00 O ATOM 1813 CB ILE A 117 4.617 -9.304 0.360 1.00 0.00 C ATOM 1814 CG1 ILE A 117 3.442 -8.586 -0.307 1.00 0.00 C ATOM 1815 CG2 ILE A 117 5.198 -8.496 1.522 1.00 0.00 C ATOM 1816 CD1 ILE A 117 2.452 -8.068 0.738 1.00 0.00 C ATOM 0 H ILE A 117 4.440 -11.211 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 117 5.934 -8.715 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 117 4.231 -10.235 0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.812 -7.754 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 117 2.934 -9.268 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.407 -8.264 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.974 -9.079 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.627 -7.569 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.626 -7.562 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.065 -8.905 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.958 -7.368 1.403 1.00 0.00 H new ATOM 1828 N GLU A 118 7.792 -9.206 0.451 1.00 0.00 N ATOM 1829 CA GLU A 118 9.060 -9.538 1.077 1.00 0.00 C ATOM 1830 C GLU A 118 8.907 -9.580 2.599 1.00 0.00 C ATOM 1831 O GLU A 118 9.246 -10.577 3.233 1.00 0.00 O ATOM 1832 CB GLU A 118 10.151 -8.549 0.663 1.00 0.00 C ATOM 1833 CG GLU A 118 11.476 -8.872 1.357 1.00 0.00 C ATOM 1834 CD GLU A 118 12.417 -9.629 0.417 1.00 0.00 C ATOM 1835 OE1 GLU A 118 12.897 -8.988 -0.543 1.00 0.00 O ATOM 1836 OE2 GLU A 118 12.634 -10.832 0.679 1.00 0.00 O ATOM 0 H GLU A 118 7.578 -8.209 0.424 1.00 0.00 H new ATOM 0 HA GLU A 118 9.363 -10.528 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.285 -8.582 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.842 -7.535 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.952 -7.949 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.287 -9.471 2.248 1.00 0.00 H new ATOM 1843 N ALA A 119 8.395 -8.484 3.140 1.00 0.00 N ATOM 1844 CA ALA A 119 8.192 -8.383 4.575 1.00 0.00 C ATOM 1845 C ALA A 119 9.498 -7.943 5.241 1.00 0.00 C ATOM 1846 O ALA A 119 9.849 -8.436 6.312 1.00 0.00 O ATOM 1847 CB ALA A 119 7.685 -9.722 5.115 1.00 0.00 C ATOM 0 H ALA A 119 8.115 -7.659 2.610 1.00 0.00 H new ATOM 0 HA ALA A 119 7.436 -7.632 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.533 -9.646 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.741 -9.975 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.419 -10.500 4.906 1.00 0.00 H new ATOM 1853 N THR A 120 10.181 -7.021 4.579 1.00 0.00 N ATOM 1854 CA THR A 120 11.440 -6.510 5.093 1.00 0.00 C ATOM 1855 C THR A 120 11.333 -6.239 6.595 1.00 0.00 C ATOM 1856 O THR A 120 10.235 -6.222 7.149 1.00 0.00 O ATOM 1857 CB THR A 120 11.815 -5.271 4.277 1.00 0.00 C ATOM 1858 OG1 THR A 120 13.054 -4.847 4.839 1.00 0.00 O ATOM 1859 CG2 THR A 120 10.870 -4.095 4.531 1.00 0.00 C ATOM 0 H THR A 120 9.886 -6.615 3.691 1.00 0.00 H new ATOM 0 HA THR A 120 12.239 -7.244 4.984 1.00 0.00 H new ATOM 0 HB THR A 120 11.809 -5.520 3.216 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.371 -4.049 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.181 -3.242 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 120 9.853 -4.380 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.902 -3.824 5.586 1.00 0.00 H new ATOM 1867 N GLY A 121 12.488 -6.035 7.211 1.00 0.00 N ATOM 1868 CA GLY A 121 12.537 -5.766 8.638 1.00 0.00 C ATOM 1869 C GLY A 121 11.640 -4.582 9.004 1.00 0.00 C ATOM 1870 O GLY A 121 10.416 -4.703 9.003 1.00 0.00 O ATOM 0 H GLY A 121 13.397 -6.051 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.220 -6.651 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 121 13.564 -5.555 8.937 1.00 0.00 H new ATOM 1874 N ALA A 122 12.284 -3.464 9.308 1.00 0.00 N ATOM 1875 CA ALA A 122 11.559 -2.260 9.676 1.00 0.00 C ATOM 1876 C ALA A 122 11.901 -1.143 8.687 1.00 0.00 C ATOM 1877 O ALA A 122 12.799 -1.294 7.861 1.00 0.00 O ATOM 1878 CB ALA A 122 11.894 -1.883 11.120 1.00 0.00 C ATOM 0 H ALA A 122 13.299 -3.367 9.307 1.00 0.00 H new ATOM 0 HA ALA A 122 10.483 -2.429 9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.350 -0.980 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.606 -2.697 11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.965 -1.703 11.210 1.00 0.00 H new ATOM 1884 N ALA A 123 11.167 -0.047 8.806 1.00 0.00 N ATOM 1885 CA ALA A 123 11.381 1.095 7.933 1.00 0.00 C ATOM 1886 C ALA A 123 12.254 2.125 8.653 1.00 0.00 C ATOM 1887 O ALA A 123 11.949 2.529 9.774 1.00 0.00 O ATOM 1888 CB ALA A 123 10.030 1.673 7.507 1.00 0.00 C ATOM 0 H ALA A 123 10.423 0.075 9.493 1.00 0.00 H new ATOM 0 HA ALA A 123 11.906 0.792 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.191 2.529 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.460 0.911 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.475 1.990 8.390 1.00 0.00 H new ATOM 1894 N SER A 124 13.324 2.520 7.979 1.00 0.00 N ATOM 1895 CA SER A 124 14.245 3.495 8.540 1.00 0.00 C ATOM 1896 C SER A 124 13.845 4.905 8.101 1.00 0.00 C ATOM 1897 O SER A 124 14.581 5.863 8.332 1.00 0.00 O ATOM 1898 CB SER A 124 15.686 3.197 8.120 1.00 0.00 C ATOM 1899 OG SER A 124 16.583 3.240 9.227 1.00 0.00 O ATOM 0 H SER A 124 13.574 2.183 7.049 1.00 0.00 H new ATOM 0 HA SER A 124 14.191 3.431 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 124 15.732 2.213 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 124 16.002 3.921 7.369 1.00 0.00 H new ATOM 0 HG SER A 124 17.492 3.043 8.919 1.00 0.00 H new ATOM 1905 N PHE A 125 12.680 4.987 7.474 1.00 0.00 N ATOM 1906 CA PHE A 125 12.174 6.264 7.001 1.00 0.00 C ATOM 1907 C PHE A 125 10.734 6.490 7.466 1.00 0.00 C ATOM 1908 O PHE A 125 10.078 5.563 7.939 1.00 0.00 O ATOM 1909 CB PHE A 125 12.202 6.217 5.472 1.00 0.00 C ATOM 1910 CG PHE A 125 11.407 5.057 4.870 1.00 0.00 C ATOM 1911 CD1 PHE A 125 10.050 5.040 4.966 1.00 0.00 C ATOM 1912 CD2 PHE A 125 12.057 4.042 4.240 1.00 0.00 C ATOM 1913 CE1 PHE A 125 9.313 3.962 4.408 1.00 0.00 C ATOM 1914 CE2 PHE A 125 11.319 2.964 3.682 1.00 0.00 C ATOM 1915 CZ PHE A 125 9.963 2.947 3.778 1.00 0.00 C ATOM 0 H PHE A 125 12.073 4.190 7.283 1.00 0.00 H new ATOM 0 HA PHE A 125 12.786 7.076 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.807 7.155 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 125 13.238 6.145 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.534 5.846 5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 125 13.134 4.056 4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.236 3.948 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 125 11.835 2.158 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 125 9.402 2.127 3.354 1.00 0.00 H new ATOM 1925 N THR A 126 10.285 7.727 7.316 1.00 0.00 N ATOM 1926 CA THR A 126 8.934 8.086 7.715 1.00 0.00 C ATOM 1927 C THR A 126 8.097 8.459 6.490 1.00 0.00 C ATOM 1928 O THR A 126 8.380 9.451 5.819 1.00 0.00 O ATOM 1929 CB THR A 126 9.030 9.209 8.750 1.00 0.00 C ATOM 1930 OG1 THR A 126 9.784 8.637 9.815 1.00 0.00 O ATOM 1931 CG2 THR A 126 7.677 9.537 9.386 1.00 0.00 C ATOM 0 H THR A 126 10.832 8.493 6.924 1.00 0.00 H new ATOM 0 HA THR A 126 8.420 7.242 8.176 1.00 0.00 H new ATOM 0 HB THR A 126 9.435 10.104 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 126 9.895 9.299 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.802 10.340 10.113 1.00 0.00 H new ATOM 0 HG22 THR A 126 6.978 9.853 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.286 8.651 9.887 1.00 0.00 H new ATOM 1939 N VAL A 127 7.084 7.645 6.235 1.00 0.00 N ATOM 1940 CA VAL A 127 6.204 7.876 5.102 1.00 0.00 C ATOM 1941 C VAL A 127 5.631 9.293 5.189 1.00 0.00 C ATOM 1942 O VAL A 127 5.380 9.799 6.281 1.00 0.00 O ATOM 1943 CB VAL A 127 5.122 6.796 5.051 1.00 0.00 C ATOM 1944 CG1 VAL A 127 4.081 7.113 3.975 1.00 0.00 C ATOM 1945 CG2 VAL A 127 5.738 5.413 4.827 1.00 0.00 C ATOM 0 H VAL A 127 6.853 6.824 6.794 1.00 0.00 H new ATOM 0 HA VAL A 127 6.759 7.805 4.166 1.00 0.00 H new ATOM 0 HB VAL A 127 4.614 6.785 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.323 6.330 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.609 8.070 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.568 7.165 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.947 4.663 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 127 6.283 5.406 3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.423 5.183 5.643 1.00 0.00 H new ATOM 1955 N LYS A 128 5.441 9.891 4.022 1.00 0.00 N ATOM 1956 CA LYS A 128 4.903 11.239 3.952 1.00 0.00 C ATOM 1957 C LYS A 128 3.418 11.172 3.589 1.00 0.00 C ATOM 1958 O LYS A 128 3.063 11.151 2.411 1.00 0.00 O ATOM 1959 CB LYS A 128 5.731 12.098 2.995 1.00 0.00 C ATOM 1960 CG LYS A 128 5.148 13.508 2.878 1.00 0.00 C ATOM 1961 CD LYS A 128 5.284 14.041 1.450 1.00 0.00 C ATOM 1962 CE LYS A 128 6.751 14.292 1.096 1.00 0.00 C ATOM 1963 NZ LYS A 128 7.326 15.332 1.978 1.00 0.00 N ATOM 0 H LYS A 128 5.650 9.467 3.118 1.00 0.00 H new ATOM 0 HA LYS A 128 4.973 11.728 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.760 12.155 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 128 5.758 11.629 2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 128 4.097 13.496 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 128 5.661 14.176 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 128 4.854 13.326 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 128 4.718 14.967 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.319 13.367 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 128 6.832 14.604 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 8.186 15.720 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 6.632 16.095 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 7.564 14.913 2.899 1.00 0.00 H new ATOM 1977 N GLU A 129 2.590 11.140 4.623 1.00 0.00 N ATOM 1978 CA GLU A 129 1.151 11.076 4.428 1.00 0.00 C ATOM 1979 C GLU A 129 0.629 12.409 3.887 1.00 0.00 C ATOM 1980 O GLU A 129 -0.235 13.035 4.499 1.00 0.00 O ATOM 1981 CB GLU A 129 0.438 10.694 5.726 1.00 0.00 C ATOM 1982 CG GLU A 129 -0.051 9.245 5.677 1.00 0.00 C ATOM 1983 CD GLU A 129 -1.472 9.127 6.232 1.00 0.00 C ATOM 1984 OE1 GLU A 129 -2.400 9.551 5.510 1.00 0.00 O ATOM 1985 OE2 GLU A 129 -1.598 8.615 7.365 1.00 0.00 O ATOM 0 H GLU A 129 2.888 11.157 5.598 1.00 0.00 H new ATOM 0 HA GLU A 129 0.938 10.299 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.116 10.824 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -0.408 11.362 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.027 8.884 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.622 8.610 6.253 1.00 0.00 H new ATOM 1992 N ASP A 130 1.175 12.803 2.746 1.00 0.00 N ATOM 1993 CA ASP A 130 0.775 14.049 2.116 1.00 0.00 C ATOM 1994 C ASP A 130 0.951 13.930 0.601 1.00 0.00 C ATOM 1995 O ASP A 130 0.060 14.299 -0.162 1.00 0.00 O ATOM 1996 CB ASP A 130 1.639 15.214 2.602 1.00 0.00 C ATOM 1997 CG ASP A 130 1.036 16.034 3.745 1.00 0.00 C ATOM 1998 OD1 ASP A 130 -0.210 16.120 3.785 1.00 0.00 O ATOM 1999 OD2 ASP A 130 1.835 16.556 4.552 1.00 0.00 O ATOM 0 H ASP A 130 1.891 12.281 2.241 1.00 0.00 H new ATOM 0 HA ASP A 130 -0.266 14.239 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.603 14.821 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.832 15.879 1.760 1.00 0.00 H new ATOM 2004 N ASN A 131 2.107 13.413 0.211 1.00 0.00 N ATOM 2005 CA ASN A 131 2.412 13.241 -1.199 1.00 0.00 C ATOM 2006 C ASN A 131 1.857 11.897 -1.676 1.00 0.00 C ATOM 2007 O ASN A 131 2.601 11.059 -2.184 1.00 0.00 O ATOM 2008 CB ASN A 131 3.923 13.241 -1.440 1.00 0.00 C ATOM 2009 CG ASN A 131 4.239 13.189 -2.936 1.00 0.00 C ATOM 2010 OD1 ASN A 131 4.975 12.142 -3.297 1.00 0.00 O flip ATOM 2011 ND2 ASN A 131 3.841 14.043 -3.711 1.00 0.00 N flip ATOM 0 H ASN A 131 2.844 13.108 0.847 1.00 0.00 H new ATOM 0 HA ASN A 131 1.960 14.069 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 131 4.365 14.136 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 131 4.375 12.385 -0.939 1.00 0.00 H new ATOM 0 HD21 ASN A 131 3.279 14.822 -3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.070 13.978 -4.703 1.00 0.00 H new ATOM 2018 N ASN A 132 0.555 11.732 -1.494 1.00 0.00 N ATOM 2019 CA ASN A 132 -0.107 10.504 -1.899 1.00 0.00 C ATOM 2020 C ASN A 132 -0.358 10.539 -3.408 1.00 0.00 C ATOM 2021 O ASN A 132 -0.632 11.597 -3.971 1.00 0.00 O ATOM 2022 CB ASN A 132 -1.459 10.351 -1.199 1.00 0.00 C ATOM 2023 CG ASN A 132 -2.019 8.940 -1.391 1.00 0.00 C ATOM 2024 OD1 ASN A 132 -1.647 8.215 -2.299 1.00 0.00 O ATOM 2025 ND2 ASN A 132 -2.932 8.593 -0.488 1.00 0.00 N ATOM 0 H ASN A 132 -0.059 12.428 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 132 0.537 9.668 -1.627 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -1.347 10.560 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -2.163 11.083 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -3.366 7.671 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -3.198 9.249 0.247 1.00 0.00 H new ATOM 2032 N LEU A 133 -0.256 9.368 -4.020 1.00 0.00 N ATOM 2033 CA LEU A 133 -0.468 9.251 -5.453 1.00 0.00 C ATOM 2034 C LEU A 133 -1.698 8.378 -5.712 1.00 0.00 C ATOM 2035 O LEU A 133 -1.923 7.936 -6.837 1.00 0.00 O ATOM 2036 CB LEU A 133 0.801 8.747 -6.143 1.00 0.00 C ATOM 2037 CG LEU A 133 2.097 8.873 -5.339 1.00 0.00 C ATOM 2038 CD1 LEU A 133 3.242 8.125 -6.025 1.00 0.00 C ATOM 2039 CD2 LEU A 133 2.443 10.341 -5.084 1.00 0.00 C ATOM 0 H LEU A 133 -0.029 8.492 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.673 10.229 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.658 7.698 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.923 9.292 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 133 1.943 8.405 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.151 8.230 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.986 7.069 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.405 8.542 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.368 10.403 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.571 10.855 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.636 10.813 -4.523 1.00 0.00 H new ATOM 2051 N SER A 134 -2.460 8.155 -4.651 1.00 0.00 N ATOM 2052 CA SER A 134 -3.661 7.343 -4.750 1.00 0.00 C ATOM 2053 C SER A 134 -4.876 8.235 -5.011 1.00 0.00 C ATOM 2054 O SER A 134 -5.984 7.739 -5.206 1.00 0.00 O ATOM 2055 CB SER A 134 -3.872 6.516 -3.481 1.00 0.00 C ATOM 2056 OG SER A 134 -4.838 7.105 -2.614 1.00 0.00 O ATOM 0 H SER A 134 -2.269 8.522 -3.719 1.00 0.00 H new ATOM 0 HA SER A 134 -3.540 6.653 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 134 -4.194 5.511 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.924 6.415 -2.952 1.00 0.00 H new ATOM 0 HG SER A 134 -4.831 6.639 -1.752 1.00 0.00 H new