USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 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 51 GLN : amide:sc= 0.344 K(o=0.77,f=-0.74) USER MOD Set 1.2: A 53 GLN : amide:sc= 0.428 K(o=0.77,f=-0.92) USER MOD Set 1.3: A 56 HIS : no HE2:sc=-0.00346 X(o=0.77,f=0.56) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.893 K(o=1.9,f=0.046) USER MOD Set 2.2: A 43 HIS : no HE2:sc= 1.03 K(o=1.9,f=-5.8!) USER MOD Single : A 21 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.4!) USER MOD Single : A 27 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.057 K(o=-0.057,f=-1.2!) USER MOD Single : A 32 SER OG : rot 0:sc= 0.839 USER MOD Single : A 36 MET CE :methyl 139:sc= -0.21 (180deg=-0.829) USER MOD Single : A 48 SER OG : rot 3:sc= 1.01 USER MOD Single : A 57 MET CE :methyl -115:sc= -0.551 (180deg=-1.82!) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 72 THR OG1 : rot 58:sc= 1.21 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.535 K(o=-0.54,f=-5.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.424 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 87 CYS SG : rot 80:sc= 1.17 USER MOD Single : A 89 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A 97 MET CE :methyl -139:sc= 0 (180deg=-1.24) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 99 ASN :FLIP amide:sc= -2.83 F(o=-4.2!,f=-2.8) USER MOD Single : A 105 THR OG1 : rot 74:sc= 0.0603 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 111 SER OG : rot 80:sc= 0.178 USER MOD Single : A 120 MET CE :methyl 168:sc= -0.842 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.911 12.393 -2.269 1.00 0.00 N ATOM 229 CA ARG A 15 11.294 12.259 -1.828 1.00 0.00 C ATOM 230 C ARG A 15 11.505 12.850 -0.440 1.00 0.00 C ATOM 231 O ARG A 15 12.594 12.750 0.126 1.00 0.00 O ATOM 232 CB ARG A 15 12.218 12.934 -2.841 1.00 0.00 C ATOM 233 CG ARG A 15 12.404 12.133 -4.120 1.00 0.00 C ATOM 234 CD ARG A 15 12.900 13.002 -5.263 1.00 0.00 C ATOM 235 NE ARG A 15 11.813 13.755 -5.893 1.00 0.00 N ATOM 236 CZ ARG A 15 11.919 15.014 -6.320 1.00 0.00 C ATOM 237 NH1 ARG A 15 13.033 15.704 -6.099 1.00 0.00 N ATOM 238 NH2 ARG A 15 10.906 15.587 -6.959 1.00 0.00 N ATOM 0 HA ARG A 15 11.531 11.197 -1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.814 13.915 -3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.192 13.098 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.114 11.325 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.458 11.670 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.653 13.696 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.387 12.375 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 15 10.916 13.285 -6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.811 15.271 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.110 16.667 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.046 15.064 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.988 16.550 -7.285 1.00 0.00 H new ATOM 252 N ALA A 16 10.470 13.471 0.103 1.00 0.00 N ATOM 253 CA ALA A 16 10.530 14.017 1.446 1.00 0.00 C ATOM 254 C ALA A 16 9.331 13.538 2.245 1.00 0.00 C ATOM 255 O ALA A 16 8.220 14.025 2.054 1.00 0.00 O ATOM 256 CB ALA A 16 10.576 15.537 1.402 1.00 0.00 C ATOM 0 H ALA A 16 9.576 13.609 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 16 11.440 13.668 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.621 15.929 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.459 15.858 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.681 15.914 0.907 1.00 0.00 H new ATOM 262 N ALA A 17 9.544 12.564 3.115 1.00 0.00 N ATOM 263 CA ALA A 17 8.451 11.987 3.874 1.00 0.00 C ATOM 264 C ALA A 17 8.922 11.441 5.214 1.00 0.00 C ATOM 265 O ALA A 17 10.074 11.029 5.365 1.00 0.00 O ATOM 266 CB ALA A 17 7.771 10.884 3.071 1.00 0.00 C ATOM 0 H ALA A 17 10.459 12.159 3.311 1.00 0.00 H new ATOM 0 HA ALA A 17 7.733 12.783 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.953 10.461 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.378 11.299 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.495 10.102 2.841 1.00 0.00 H new ATOM 272 N ASP A 18 8.014 11.459 6.174 1.00 0.00 N ATOM 273 CA ASP A 18 8.229 10.835 7.469 1.00 0.00 C ATOM 274 C ASP A 18 7.387 9.573 7.528 1.00 0.00 C ATOM 275 O ASP A 18 6.881 9.105 6.504 1.00 0.00 O ATOM 276 CB ASP A 18 7.786 11.755 8.619 1.00 0.00 C ATOM 277 CG ASP A 18 8.456 13.113 8.632 1.00 0.00 C ATOM 278 OD1 ASP A 18 9.556 13.234 9.202 1.00 0.00 O ATOM 279 OD2 ASP A 18 7.855 14.081 8.117 1.00 0.00 O ATOM 0 H ASP A 18 7.103 11.908 6.078 1.00 0.00 H new ATOM 0 HA ASP A 18 9.293 10.624 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.707 11.897 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.989 11.255 9.566 1.00 0.00 H new ATOM 284 N GLY A 19 7.219 9.031 8.717 1.00 0.00 N ATOM 285 CA GLY A 19 6.221 8.009 8.915 1.00 0.00 C ATOM 286 C GLY A 19 4.914 8.639 9.340 1.00 0.00 C ATOM 287 O GLY A 19 3.835 8.094 9.125 1.00 0.00 O ATOM 0 H GLY A 19 7.755 9.279 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.079 7.444 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.557 7.302 9.674 1.00 0.00 H new ATOM 291 N ARG A 20 5.026 9.808 9.948 1.00 0.00 N ATOM 292 CA ARG A 20 3.868 10.557 10.409 1.00 0.00 C ATOM 293 C ARG A 20 3.414 11.595 9.381 1.00 0.00 C ATOM 294 O ARG A 20 2.336 12.168 9.507 1.00 0.00 O ATOM 295 CB ARG A 20 4.192 11.229 11.744 1.00 0.00 C ATOM 296 CG ARG A 20 5.548 11.912 11.757 1.00 0.00 C ATOM 297 CD ARG A 20 5.971 12.285 13.165 1.00 0.00 C ATOM 298 NE ARG A 20 7.410 12.525 13.244 1.00 0.00 N ATOM 299 CZ ARG A 20 8.228 11.843 14.042 1.00 0.00 C ATOM 300 NH1 ARG A 20 7.745 10.926 14.866 1.00 0.00 N ATOM 301 NH2 ARG A 20 9.531 12.080 14.017 1.00 0.00 N ATOM 0 H ARG A 20 5.919 10.264 10.136 1.00 0.00 H new ATOM 0 HA ARG A 20 3.043 9.858 10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.420 11.964 11.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.162 10.481 12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.294 11.251 11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.511 12.808 11.138 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.434 13.178 13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.696 11.486 13.853 1.00 0.00 H new ATOM 0 HE ARG A 20 7.810 13.256 12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.742 10.740 14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.376 10.406 15.476 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.909 12.786 13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.156 11.556 14.629 1.00 0.00 H new ATOM 315 N HIS A 21 4.239 11.839 8.368 1.00 0.00 N ATOM 316 CA HIS A 21 3.890 12.786 7.310 1.00 0.00 C ATOM 317 C HIS A 21 4.247 12.205 5.954 1.00 0.00 C ATOM 318 O HIS A 21 5.336 11.668 5.777 1.00 0.00 O ATOM 319 CB HIS A 21 4.638 14.119 7.451 1.00 0.00 C ATOM 320 CG HIS A 21 4.596 14.744 8.811 1.00 0.00 C ATOM 321 ND1 HIS A 21 5.732 14.990 9.545 1.00 0.00 N ATOM 322 CD2 HIS A 21 3.562 15.200 9.556 1.00 0.00 C ATOM 323 CE1 HIS A 21 5.402 15.568 10.685 1.00 0.00 C ATOM 324 NE2 HIS A 21 4.090 15.710 10.719 1.00 0.00 N ATOM 0 H HIS A 21 5.151 11.397 8.256 1.00 0.00 H new ATOM 0 HA HIS A 21 2.819 12.967 7.397 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.681 13.961 7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 21 4.222 14.826 6.733 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.682 14.761 9.254 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.516 15.169 9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.090 15.873 11.460 1.00 0.00 H new ATOM 333 N ALA A 22 3.342 12.314 5.005 1.00 0.00 N ATOM 334 CA ALA A 22 3.645 11.948 3.632 1.00 0.00 C ATOM 335 C ALA A 22 3.486 13.166 2.735 1.00 0.00 C ATOM 336 O ALA A 22 2.390 13.699 2.591 1.00 0.00 O ATOM 337 CB ALA A 22 2.743 10.814 3.169 1.00 0.00 C ATOM 0 H ALA A 22 2.391 12.652 5.155 1.00 0.00 H new ATOM 0 HA ALA A 22 4.676 11.598 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.985 10.554 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.895 9.944 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.702 11.130 3.228 1.00 0.00 H new ATOM 343 N LYS A 23 4.581 13.612 2.142 1.00 0.00 N ATOM 344 CA LYS A 23 4.555 14.818 1.333 1.00 0.00 C ATOM 345 C LYS A 23 4.479 14.482 -0.147 1.00 0.00 C ATOM 346 O LYS A 23 5.497 14.279 -0.814 1.00 0.00 O ATOM 347 CB LYS A 23 5.778 15.688 1.632 1.00 0.00 C ATOM 348 CG LYS A 23 5.766 16.262 3.038 1.00 0.00 C ATOM 349 CD LYS A 23 6.991 17.120 3.314 1.00 0.00 C ATOM 350 CE LYS A 23 6.991 17.621 4.748 1.00 0.00 C ATOM 351 NZ LYS A 23 8.176 18.465 5.050 1.00 0.00 N ATOM 0 H LYS A 23 5.493 13.160 2.205 1.00 0.00 H new ATOM 0 HA LYS A 23 3.659 15.382 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.682 15.094 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.821 16.505 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.866 16.860 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.723 15.448 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.895 16.541 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.008 17.967 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.083 18.195 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.971 16.769 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.132 18.783 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.044 17.911 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.183 19.292 4.420 1.00 0.00 H new ATOM 365 N VAL A 24 3.259 14.404 -0.649 1.00 0.00 N ATOM 366 CA VAL A 24 3.040 14.134 -2.054 1.00 0.00 C ATOM 367 C VAL A 24 2.942 15.449 -2.815 1.00 0.00 C ATOM 368 O VAL A 24 1.880 16.077 -2.860 1.00 0.00 O ATOM 369 CB VAL A 24 1.762 13.297 -2.287 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.607 12.950 -3.761 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.789 12.033 -1.439 1.00 0.00 C ATOM 0 H VAL A 24 2.406 14.524 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 24 3.886 13.552 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 24 0.902 13.895 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.701 12.361 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.538 13.867 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.471 12.373 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.881 11.456 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.658 11.433 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.847 12.303 -0.385 1.00 0.00 H new ATOM 381 N ASN A 25 4.080 15.875 -3.356 1.00 0.00 N ATOM 382 CA ASN A 25 4.185 17.116 -4.124 1.00 0.00 C ATOM 383 C ASN A 25 4.037 18.325 -3.208 1.00 0.00 C ATOM 384 O ASN A 25 5.030 18.890 -2.752 1.00 0.00 O ATOM 385 CB ASN A 25 3.154 17.154 -5.260 1.00 0.00 C ATOM 386 CG ASN A 25 3.412 16.090 -6.312 1.00 0.00 C ATOM 387 OD1 ASN A 25 4.045 15.064 -6.043 1.00 0.00 O ATOM 388 ND2 ASN A 25 2.909 16.314 -7.511 1.00 0.00 N ATOM 0 H ASN A 25 4.961 15.368 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 25 5.175 17.151 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.155 17.016 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.171 18.137 -5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.037 15.627 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.392 17.174 -7.695 1.00 0.00 H new ATOM 395 N GLU A 26 2.803 18.707 -2.930 1.00 0.00 N ATOM 396 CA GLU A 26 2.530 19.785 -1.989 1.00 0.00 C ATOM 397 C GLU A 26 1.552 19.317 -0.911 1.00 0.00 C ATOM 398 O GLU A 26 1.446 19.921 0.157 1.00 0.00 O ATOM 399 CB GLU A 26 1.961 20.996 -2.730 1.00 0.00 C ATOM 400 CG GLU A 26 1.660 22.182 -1.828 1.00 0.00 C ATOM 401 CD GLU A 26 0.927 23.288 -2.550 1.00 0.00 C ATOM 402 OE1 GLU A 26 -0.183 23.031 -3.063 1.00 0.00 O ATOM 403 OE2 GLU A 26 1.454 24.417 -2.611 1.00 0.00 O ATOM 0 H GLU A 26 1.970 18.287 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 26 3.464 20.073 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.670 21.306 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.046 20.700 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.062 21.847 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.594 22.573 -1.424 1.00 0.00 H new ATOM 410 N GLN A 27 0.855 18.224 -1.184 1.00 0.00 N ATOM 411 CA GLN A 27 -0.174 17.738 -0.285 1.00 0.00 C ATOM 412 C GLN A 27 0.433 16.869 0.805 1.00 0.00 C ATOM 413 O GLN A 27 0.765 15.702 0.576 1.00 0.00 O ATOM 414 CB GLN A 27 -1.239 16.957 -1.060 1.00 0.00 C ATOM 415 CG GLN A 27 -1.974 17.804 -2.086 1.00 0.00 C ATOM 416 CD GLN A 27 -3.019 17.035 -2.875 1.00 0.00 C ATOM 417 OE1 GLN A 27 -3.285 17.351 -4.033 1.00 0.00 O ATOM 418 NE2 GLN A 27 -3.629 16.032 -2.257 1.00 0.00 N ATOM 0 H GLN A 27 0.986 17.658 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.650 18.598 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.767 16.114 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.961 16.543 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.457 18.638 -1.577 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.249 18.230 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.381 15.799 -1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.346 15.494 -2.744 1.00 0.00 H new ATOM 427 N ILE A 28 0.615 17.459 1.976 1.00 0.00 N ATOM 428 CA ILE A 28 1.059 16.713 3.140 1.00 0.00 C ATOM 429 C ILE A 28 -0.087 15.850 3.645 1.00 0.00 C ATOM 430 O ILE A 28 -1.003 16.331 4.316 1.00 0.00 O ATOM 431 CB ILE A 28 1.557 17.636 4.274 1.00 0.00 C ATOM 432 CG1 ILE A 28 2.675 18.552 3.765 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.047 16.807 5.457 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.200 19.515 4.810 1.00 0.00 C ATOM 0 H ILE A 28 0.462 18.453 2.144 1.00 0.00 H new ATOM 0 HA ILE A 28 1.902 16.091 2.837 1.00 0.00 H new ATOM 0 HB ILE A 28 0.725 18.257 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.500 17.937 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.305 19.122 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.395 17.472 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.230 16.192 5.833 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.867 16.165 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.988 20.129 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.389 20.156 5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.601 18.953 5.653 1.00 0.00 H new ATOM 446 N LEU A 29 -0.050 14.586 3.280 1.00 0.00 N ATOM 447 CA LEU A 29 -1.097 13.660 3.643 1.00 0.00 C ATOM 448 C LEU A 29 -0.766 12.981 4.960 1.00 0.00 C ATOM 449 O LEU A 29 0.294 12.370 5.108 1.00 0.00 O ATOM 450 CB LEU A 29 -1.295 12.627 2.531 1.00 0.00 C ATOM 451 CG LEU A 29 -1.667 13.215 1.164 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.755 12.123 0.114 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.984 13.976 1.248 1.00 0.00 C ATOM 0 H LEU A 29 0.702 14.175 2.727 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.029 14.211 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.377 12.049 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.077 11.931 2.836 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.882 13.912 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.020 12.563 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.791 11.621 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.517 11.400 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.231 14.386 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.776 13.299 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.889 14.789 1.968 1.00 0.00 H new ATOM 465 N GLN A 30 -1.660 13.125 5.921 1.00 0.00 N ATOM 466 CA GLN A 30 -1.502 12.493 7.220 1.00 0.00 C ATOM 467 C GLN A 30 -2.765 11.716 7.578 1.00 0.00 C ATOM 468 O GLN A 30 -3.232 11.726 8.717 1.00 0.00 O ATOM 469 CB GLN A 30 -1.144 13.539 8.282 1.00 0.00 C ATOM 470 CG GLN A 30 -2.060 14.751 8.303 1.00 0.00 C ATOM 471 CD GLN A 30 -1.480 15.896 9.111 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.262 16.069 9.192 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.347 16.689 9.714 1.00 0.00 N ATOM 0 H GLN A 30 -2.511 13.679 5.825 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.678 11.781 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.166 13.065 9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.121 13.875 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.241 15.085 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.026 14.467 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.348 16.513 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.016 17.477 10.270 1.00 0.00 H new ATOM 482 N GLN A 31 -3.305 11.046 6.568 1.00 0.00 N ATOM 483 CA GLN A 31 -4.444 10.156 6.733 1.00 0.00 C ATOM 484 C GLN A 31 -4.092 8.771 6.185 1.00 0.00 C ATOM 485 O GLN A 31 -3.466 7.966 6.870 1.00 0.00 O ATOM 486 CB GLN A 31 -5.675 10.722 6.009 1.00 0.00 C ATOM 487 CG GLN A 31 -6.176 12.040 6.587 1.00 0.00 C ATOM 488 CD GLN A 31 -7.192 12.736 5.695 1.00 0.00 C ATOM 489 OE1 GLN A 31 -7.927 12.097 4.938 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.241 14.057 5.786 1.00 0.00 N ATOM 0 H GLN A 31 -2.963 11.106 5.609 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.682 10.071 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.431 10.867 4.957 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.480 9.988 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.625 11.854 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.327 12.705 6.748 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.615 14.548 6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.904 14.583 5.217 1.00 0.00 H new ATOM 499 N SER A 32 -4.472 8.519 4.940 1.00 0.00 N ATOM 500 CA SER A 32 -4.115 7.298 4.221 1.00 0.00 C ATOM 501 C SER A 32 -4.434 7.492 2.749 1.00 0.00 C ATOM 502 O SER A 32 -5.444 8.114 2.416 1.00 0.00 O ATOM 503 CB SER A 32 -4.875 6.075 4.758 1.00 0.00 C ATOM 504 OG SER A 32 -4.457 5.734 6.067 1.00 0.00 O ATOM 0 H SER A 32 -5.043 9.162 4.392 1.00 0.00 H new ATOM 0 HA SER A 32 -3.051 7.110 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.945 6.283 4.760 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.716 5.227 4.092 1.00 0.00 H new ATOM 0 HG SER A 32 -3.763 6.360 6.362 1.00 0.00 H new ATOM 510 N PHE A 33 -3.580 6.991 1.870 1.00 0.00 N ATOM 511 CA PHE A 33 -3.800 7.147 0.440 1.00 0.00 C ATOM 512 C PHE A 33 -3.294 5.938 -0.333 1.00 0.00 C ATOM 513 O PHE A 33 -2.453 5.181 0.153 1.00 0.00 O ATOM 514 CB PHE A 33 -3.137 8.433 -0.078 1.00 0.00 C ATOM 515 CG PHE A 33 -1.640 8.476 0.057 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.046 8.864 1.248 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.826 8.152 -1.018 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.328 8.927 1.364 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.549 8.210 -0.906 1.00 0.00 C ATOM 520 CZ PHE A 33 1.127 8.599 0.286 1.00 0.00 C ATOM 0 H PHE A 33 -2.735 6.477 2.118 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.875 7.223 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.396 8.559 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.559 9.283 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.665 9.120 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.273 7.851 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.778 9.233 2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.172 7.951 -1.750 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.202 8.647 0.375 1.00 0.00 H new ATOM 530 N ILE A 34 -3.818 5.768 -1.537 1.00 0.00 N ATOM 531 CA ILE A 34 -3.435 4.660 -2.398 1.00 0.00 C ATOM 532 C ILE A 34 -2.709 5.188 -3.627 1.00 0.00 C ATOM 533 O ILE A 34 -3.317 5.825 -4.490 1.00 0.00 O ATOM 534 CB ILE A 34 -4.664 3.843 -2.853 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.497 3.409 -1.644 1.00 0.00 C ATOM 536 CG2 ILE A 34 -4.223 2.628 -3.662 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.802 2.735 -2.016 1.00 0.00 C ATOM 0 H ILE A 34 -4.517 6.390 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.779 4.007 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.284 4.475 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.907 2.726 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.712 4.283 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.100 2.062 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.670 2.958 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.583 1.995 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.338 2.455 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.413 3.422 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.595 1.842 -2.605 1.00 0.00 H new ATOM 549 N LEU A 35 -1.414 4.929 -3.700 1.00 0.00 N ATOM 550 CA LEU A 35 -0.608 5.404 -4.812 1.00 0.00 C ATOM 551 C LEU A 35 -0.277 4.257 -5.757 1.00 0.00 C ATOM 552 O LEU A 35 0.303 3.250 -5.349 1.00 0.00 O ATOM 553 CB LEU A 35 0.681 6.056 -4.298 1.00 0.00 C ATOM 554 CG LEU A 35 1.639 6.566 -5.380 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.969 7.630 -6.241 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.909 7.115 -4.748 1.00 0.00 C ATOM 0 H LEU A 35 -0.898 4.392 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.182 6.151 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.412 6.892 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.212 5.333 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 35 1.905 5.727 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.669 7.976 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.089 7.206 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.670 8.470 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.579 7.473 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.656 7.939 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.403 6.327 -4.180 1.00 0.00 H new ATOM 568 N MET A 36 -0.678 4.401 -7.009 1.00 0.00 N ATOM 569 CA MET A 36 -0.363 3.413 -8.028 1.00 0.00 C ATOM 570 C MET A 36 0.162 4.114 -9.273 1.00 0.00 C ATOM 571 O MET A 36 -0.062 5.310 -9.451 1.00 0.00 O ATOM 572 CB MET A 36 -1.602 2.576 -8.376 1.00 0.00 C ATOM 573 CG MET A 36 -2.100 1.710 -7.230 1.00 0.00 C ATOM 574 SD MET A 36 -3.487 0.657 -7.699 1.00 0.00 S ATOM 575 CE MET A 36 -2.731 -0.364 -8.961 1.00 0.00 C ATOM 0 H MET A 36 -1.224 5.195 -7.345 1.00 0.00 H new ATOM 0 HA MET A 36 0.403 2.742 -7.640 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.404 3.244 -8.689 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.369 1.937 -9.228 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.282 1.086 -6.870 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.401 2.351 -6.401 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.068 -1.394 -8.846 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.018 0.004 -9.946 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.646 -0.324 -8.860 1.00 0.00 H new ATOM 585 N PRO A 37 0.870 3.388 -10.158 1.00 0.00 N ATOM 586 CA PRO A 37 1.376 3.943 -11.422 1.00 0.00 C ATOM 587 C PRO A 37 0.259 4.219 -12.432 1.00 0.00 C ATOM 588 O PRO A 37 0.504 4.325 -13.636 1.00 0.00 O ATOM 589 CB PRO A 37 2.320 2.850 -11.952 1.00 0.00 C ATOM 590 CG PRO A 37 2.516 1.901 -10.817 1.00 0.00 C ATOM 591 CD PRO A 37 1.267 1.983 -9.991 1.00 0.00 C ATOM 0 HA PRO A 37 1.864 4.906 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.888 2.344 -12.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.270 3.276 -12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.678 0.886 -11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.392 2.172 -10.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.498 1.298 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.454 1.735 -8.946 1.00 0.00 H new ATOM 599 N ASP A 38 -0.965 4.338 -11.934 1.00 0.00 N ATOM 600 CA ASP A 38 -2.121 4.627 -12.767 1.00 0.00 C ATOM 601 C ASP A 38 -2.755 5.935 -12.311 1.00 0.00 C ATOM 602 O ASP A 38 -2.727 6.933 -13.028 1.00 0.00 O ATOM 603 CB ASP A 38 -3.135 3.483 -12.682 1.00 0.00 C ATOM 604 CG ASP A 38 -4.234 3.593 -13.721 1.00 0.00 C ATOM 605 OD1 ASP A 38 -5.273 4.221 -13.439 1.00 0.00 O ATOM 606 OD2 ASP A 38 -4.073 3.023 -14.820 1.00 0.00 O ATOM 0 H ASP A 38 -1.182 4.237 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.804 4.725 -13.805 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.616 2.533 -12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.581 3.472 -11.688 1.00 0.00 H new ATOM 611 N GLU A 39 -3.304 5.926 -11.097 1.00 0.00 N ATOM 612 CA GLU A 39 -3.851 7.131 -10.484 1.00 0.00 C ATOM 613 C GLU A 39 -3.530 7.168 -8.995 1.00 0.00 C ATOM 614 O GLU A 39 -2.828 6.294 -8.473 1.00 0.00 O ATOM 615 CB GLU A 39 -5.367 7.222 -10.686 1.00 0.00 C ATOM 616 CG GLU A 39 -5.780 7.557 -12.108 1.00 0.00 C ATOM 617 CD GLU A 39 -7.264 7.824 -12.227 1.00 0.00 C ATOM 618 OE1 GLU A 39 -8.042 6.853 -12.306 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.660 9.009 -12.247 1.00 0.00 O ATOM 0 H GLU A 39 -3.381 5.091 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.386 7.986 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.819 6.272 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.768 7.980 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.227 8.433 -12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.507 6.733 -12.767 1.00 0.00 H new ATOM 626 N LEU A 40 -4.054 8.180 -8.316 1.00 0.00 N ATOM 627 CA LEU A 40 -3.799 8.372 -6.898 1.00 0.00 C ATOM 628 C LEU A 40 -5.103 8.581 -6.137 1.00 0.00 C ATOM 629 O LEU A 40 -5.850 9.524 -6.410 1.00 0.00 O ATOM 630 CB LEU A 40 -2.872 9.577 -6.687 1.00 0.00 C ATOM 631 CG LEU A 40 -2.659 9.999 -5.229 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.985 8.891 -4.434 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.841 11.278 -5.161 1.00 0.00 C ATOM 0 H LEU A 40 -4.663 8.885 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.314 7.475 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.901 9.347 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.278 10.426 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.636 10.187 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.845 9.216 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.610 7.998 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.015 8.663 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.699 11.564 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.870 11.114 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.367 12.075 -5.687 1.00 0.00 H new ATOM 645 N VAL A 41 -5.374 7.688 -5.195 1.00 0.00 N ATOM 646 CA VAL A 41 -6.515 7.837 -4.304 1.00 0.00 C ATOM 647 C VAL A 41 -6.082 8.619 -3.072 1.00 0.00 C ATOM 648 O VAL A 41 -5.329 8.108 -2.245 1.00 0.00 O ATOM 649 CB VAL A 41 -7.089 6.468 -3.875 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.314 6.650 -2.988 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.429 5.622 -5.091 1.00 0.00 C ATOM 0 H VAL A 41 -4.817 6.850 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.300 8.372 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.325 5.946 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.702 5.673 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.037 7.210 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.082 7.197 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.831 4.663 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.171 6.140 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.528 5.456 -5.682 1.00 0.00 H new ATOM 661 N GLU A 42 -6.548 9.856 -2.968 1.00 0.00 N ATOM 662 CA GLU A 42 -6.075 10.783 -1.943 1.00 0.00 C ATOM 663 C GLU A 42 -6.505 10.375 -0.535 1.00 0.00 C ATOM 664 O GLU A 42 -5.732 10.500 0.414 1.00 0.00 O ATOM 665 CB GLU A 42 -6.591 12.191 -2.235 1.00 0.00 C ATOM 666 CG GLU A 42 -6.146 12.749 -3.575 1.00 0.00 C ATOM 667 CD GLU A 42 -6.736 14.116 -3.846 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.151 15.121 -3.390 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.800 14.189 -4.497 1.00 0.00 O ATOM 0 H GLU A 42 -7.260 10.246 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.986 10.760 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.680 12.181 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.254 12.861 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.058 12.813 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.441 12.063 -4.369 1.00 0.00 H new ATOM 676 N HIS A 43 -7.740 9.920 -0.391 1.00 0.00 N ATOM 677 CA HIS A 43 -8.281 9.625 0.930 1.00 0.00 C ATOM 678 C HIS A 43 -8.775 8.189 1.027 1.00 0.00 C ATOM 679 O HIS A 43 -9.829 7.843 0.497 1.00 0.00 O ATOM 680 CB HIS A 43 -9.423 10.589 1.276 1.00 0.00 C ATOM 681 CG HIS A 43 -9.044 12.037 1.186 1.00 0.00 C ATOM 682 ND1 HIS A 43 -8.485 12.741 2.232 1.00 0.00 N ATOM 683 CD2 HIS A 43 -9.134 12.909 0.156 1.00 0.00 C ATOM 684 CE1 HIS A 43 -8.249 13.982 1.845 1.00 0.00 C ATOM 685 NE2 HIS A 43 -8.632 14.110 0.590 1.00 0.00 N ATOM 0 H HIS A 43 -8.383 9.748 -1.164 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.470 9.756 1.647 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.261 10.400 0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.771 10.377 2.287 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.285 12.363 3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.528 12.699 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.815 14.761 2.454 1.00 0.00 H new ATOM 694 N TRP A 44 -7.996 7.362 1.699 1.00 0.00 N ATOM 695 CA TRP A 44 -8.390 5.995 1.991 1.00 0.00 C ATOM 696 C TRP A 44 -8.795 5.908 3.463 1.00 0.00 C ATOM 697 O TRP A 44 -7.971 6.125 4.351 1.00 0.00 O ATOM 698 CB TRP A 44 -7.227 5.048 1.676 1.00 0.00 C ATOM 699 CG TRP A 44 -7.589 3.592 1.685 1.00 0.00 C ATOM 700 CD1 TRP A 44 -8.752 3.024 1.241 1.00 0.00 C ATOM 701 CD2 TRP A 44 -6.763 2.515 2.137 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.699 1.659 1.401 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.488 1.323 1.948 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.479 2.443 2.686 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.971 0.076 2.289 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -4.968 1.206 3.024 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.712 0.037 2.824 1.00 0.00 C ATOM 0 H TRP A 44 -7.076 7.617 2.057 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.239 5.700 1.374 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.823 5.303 0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.432 5.216 2.402 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.588 3.567 0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.440 1.004 1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.897 3.339 2.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.543 -0.828 2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.978 1.139 3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.283 -0.916 3.098 1.00 0.00 H new ATOM 718 N PRO A 45 -10.082 5.635 3.737 1.00 0.00 N ATOM 719 CA PRO A 45 -10.635 5.661 5.096 1.00 0.00 C ATOM 720 C PRO A 45 -10.178 4.489 5.966 1.00 0.00 C ATOM 721 O PRO A 45 -10.957 3.581 6.268 1.00 0.00 O ATOM 722 CB PRO A 45 -12.157 5.597 4.877 1.00 0.00 C ATOM 723 CG PRO A 45 -12.365 5.780 3.409 1.00 0.00 C ATOM 724 CD PRO A 45 -11.108 5.293 2.748 1.00 0.00 C ATOM 0 HA PRO A 45 -10.298 6.548 5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.561 4.642 5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.667 6.376 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.231 5.215 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.551 6.827 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.141 4.222 2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.933 5.788 1.793 1.00 0.00 H new ATOM 732 N VAL A 46 -8.911 4.507 6.353 1.00 0.00 N ATOM 733 CA VAL A 46 -8.372 3.517 7.274 1.00 0.00 C ATOM 734 C VAL A 46 -7.534 4.203 8.353 1.00 0.00 C ATOM 735 O VAL A 46 -6.388 4.579 8.116 1.00 0.00 O ATOM 736 CB VAL A 46 -7.507 2.457 6.548 1.00 0.00 C ATOM 737 CG1 VAL A 46 -6.961 1.436 7.533 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.305 1.759 5.457 1.00 0.00 C ATOM 0 H VAL A 46 -8.233 5.202 6.041 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.220 3.005 7.730 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.667 2.975 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.357 0.702 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.345 1.941 8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.789 0.931 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.675 1.020 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.169 1.263 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.643 2.494 4.727 1.00 0.00 H new ATOM 748 N PRO A 47 -8.112 4.412 9.545 1.00 0.00 N ATOM 749 CA PRO A 47 -7.388 5.004 10.671 1.00 0.00 C ATOM 750 C PRO A 47 -6.334 4.051 11.229 1.00 0.00 C ATOM 751 O PRO A 47 -6.635 3.204 12.074 1.00 0.00 O ATOM 752 CB PRO A 47 -8.483 5.277 11.705 1.00 0.00 C ATOM 753 CG PRO A 47 -9.575 4.318 11.371 1.00 0.00 C ATOM 754 CD PRO A 47 -9.512 4.103 9.883 1.00 0.00 C ATOM 0 HA PRO A 47 -6.840 5.901 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.116 5.120 12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.832 6.308 11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.442 3.377 11.905 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.546 4.717 11.665 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.772 3.079 9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.205 4.757 9.354 1.00 0.00 H new ATOM 762 N SER A 48 -5.108 4.185 10.712 1.00 0.00 N ATOM 763 CA SER A 48 -3.973 3.316 11.053 1.00 0.00 C ATOM 764 C SER A 48 -4.299 1.845 10.781 1.00 0.00 C ATOM 765 O SER A 48 -5.388 1.511 10.306 1.00 0.00 O ATOM 766 CB SER A 48 -3.509 3.524 12.509 1.00 0.00 C ATOM 767 OG SER A 48 -4.485 3.111 13.450 1.00 0.00 O ATOM 0 H SER A 48 -4.871 4.910 10.035 1.00 0.00 H new ATOM 0 HA SER A 48 -3.144 3.600 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.587 2.967 12.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.278 4.577 12.667 1.00 0.00 H new ATOM 0 HG SER A 48 -5.254 2.729 12.978 1.00 0.00 H new ATOM 773 N LEU A 49 -3.363 0.957 11.073 1.00 0.00 N ATOM 774 CA LEU A 49 -3.581 -0.463 10.846 1.00 0.00 C ATOM 775 C LEU A 49 -4.343 -1.076 12.023 1.00 0.00 C ATOM 776 O LEU A 49 -3.994 -2.142 12.534 1.00 0.00 O ATOM 777 CB LEU A 49 -2.245 -1.175 10.615 1.00 0.00 C ATOM 778 CG LEU A 49 -2.349 -2.641 10.186 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.266 -2.783 8.986 1.00 0.00 C ATOM 780 CD2 LEU A 49 -0.977 -3.194 9.859 1.00 0.00 C ATOM 0 H LEU A 49 -2.451 1.191 11.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.188 -0.591 9.950 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.689 -0.629 9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.661 -1.123 11.534 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.770 -3.210 11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.327 -3.832 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.261 -2.419 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.870 -2.200 8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.068 -4.237 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.536 -2.617 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.338 -3.127 10.740 1.00 0.00 H new ATOM 792 N GLY A 50 -5.390 -0.386 12.445 1.00 0.00 N ATOM 793 CA GLY A 50 -6.234 -0.884 13.508 1.00 0.00 C ATOM 794 C GLY A 50 -7.654 -1.121 13.038 1.00 0.00 C ATOM 795 O GLY A 50 -8.422 -1.827 13.691 1.00 0.00 O ATOM 0 H GLY A 50 -5.672 0.518 12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.819 -1.815 13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.239 -0.171 14.332 1.00 0.00 H new ATOM 799 N GLN A 51 -7.999 -0.531 11.897 1.00 0.00 N ATOM 800 CA GLN A 51 -9.342 -0.662 11.343 1.00 0.00 C ATOM 801 C GLN A 51 -9.269 -1.079 9.870 1.00 0.00 C ATOM 802 O GLN A 51 -10.158 -0.773 9.068 1.00 0.00 O ATOM 803 CB GLN A 51 -10.098 0.664 11.492 1.00 0.00 C ATOM 804 CG GLN A 51 -11.602 0.555 11.259 1.00 0.00 C ATOM 805 CD GLN A 51 -12.292 -0.336 12.277 1.00 0.00 C ATOM 806 OE1 GLN A 51 -11.862 -0.436 13.424 1.00 0.00 O ATOM 807 NE2 GLN A 51 -13.363 -0.997 11.862 1.00 0.00 N ATOM 0 H GLN A 51 -7.367 0.042 11.338 1.00 0.00 H new ATOM 0 HA GLN A 51 -9.880 -1.435 11.891 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.924 1.058 12.493 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.684 1.387 10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.044 1.551 11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.783 0.163 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.689 -0.888 10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.861 -1.615 12.503 1.00 0.00 H new ATOM 816 N LEU A 52 -8.204 -1.786 9.512 1.00 0.00 N ATOM 817 CA LEU A 52 -8.071 -2.287 8.153 1.00 0.00 C ATOM 818 C LEU A 52 -8.864 -3.573 7.991 1.00 0.00 C ATOM 819 O LEU A 52 -8.435 -4.647 8.411 1.00 0.00 O ATOM 820 CB LEU A 52 -6.609 -2.522 7.768 1.00 0.00 C ATOM 821 CG LEU A 52 -6.405 -3.040 6.338 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.004 -2.074 5.326 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.932 -3.265 6.047 1.00 0.00 C ATOM 0 H LEU A 52 -7.431 -2.022 10.135 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.469 -1.525 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.061 -1.587 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.173 -3.237 8.466 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.920 -3.997 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.849 -2.460 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.073 -1.968 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.520 -1.102 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.814 -3.632 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.391 -2.325 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.531 -4.000 6.745 1.00 0.00 H new ATOM 835 N GLN A 53 -10.033 -3.439 7.400 1.00 0.00 N ATOM 836 CA GLN A 53 -10.910 -4.568 7.157 1.00 0.00 C ATOM 837 C GLN A 53 -10.871 -4.928 5.680 1.00 0.00 C ATOM 838 O GLN A 53 -10.591 -4.067 4.841 1.00 0.00 O ATOM 839 CB GLN A 53 -12.335 -4.203 7.566 1.00 0.00 C ATOM 840 CG GLN A 53 -12.450 -3.702 8.995 1.00 0.00 C ATOM 841 CD GLN A 53 -13.700 -2.876 9.209 1.00 0.00 C ATOM 842 OE1 GLN A 53 -13.685 -1.655 9.037 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.789 -3.525 9.569 1.00 0.00 N ATOM 0 H GLN A 53 -10.403 -2.546 7.074 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.578 -5.424 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.713 -3.436 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.974 -5.078 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.456 -4.552 9.677 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.573 -3.103 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.760 -4.536 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.661 -3.016 9.715 1.00 0.00 H new ATOM 852 N PRO A 54 -11.139 -6.197 5.337 1.00 0.00 N ATOM 853 CA PRO A 54 -11.217 -6.641 3.940 1.00 0.00 C ATOM 854 C PRO A 54 -12.212 -5.815 3.128 1.00 0.00 C ATOM 855 O PRO A 54 -12.049 -5.636 1.921 1.00 0.00 O ATOM 856 CB PRO A 54 -11.678 -8.095 4.051 1.00 0.00 C ATOM 857 CG PRO A 54 -11.241 -8.526 5.407 1.00 0.00 C ATOM 858 CD PRO A 54 -11.358 -7.310 6.280 1.00 0.00 C ATOM 0 HA PRO A 54 -10.266 -6.528 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.759 -8.178 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.228 -8.714 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.867 -9.337 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.216 -8.897 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.337 -7.248 6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.615 -7.314 7.078 1.00 0.00 H new ATOM 866 N ALA A 55 -13.234 -5.298 3.804 1.00 0.00 N ATOM 867 CA ALA A 55 -14.218 -4.430 3.167 1.00 0.00 C ATOM 868 C ALA A 55 -13.574 -3.128 2.688 1.00 0.00 C ATOM 869 O ALA A 55 -13.919 -2.612 1.626 1.00 0.00 O ATOM 870 CB ALA A 55 -15.366 -4.144 4.121 1.00 0.00 C ATOM 0 H ALA A 55 -13.402 -5.466 4.796 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.614 -4.947 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.092 -3.495 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.847 -5.081 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.983 -3.651 5.014 1.00 0.00 H new ATOM 876 N HIS A 56 -12.624 -2.610 3.465 1.00 0.00 N ATOM 877 CA HIS A 56 -11.898 -1.397 3.085 1.00 0.00 C ATOM 878 C HIS A 56 -10.839 -1.711 2.032 1.00 0.00 C ATOM 879 O HIS A 56 -10.417 -0.833 1.278 1.00 0.00 O ATOM 880 CB HIS A 56 -11.224 -0.742 4.301 1.00 0.00 C ATOM 881 CG HIS A 56 -12.164 -0.025 5.229 1.00 0.00 C ATOM 882 ND1 HIS A 56 -11.894 0.168 6.569 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.362 0.568 5.001 1.00 0.00 C ATOM 884 CE1 HIS A 56 -12.886 0.842 7.123 1.00 0.00 C ATOM 885 NE2 HIS A 56 -13.790 1.098 6.197 1.00 0.00 N ATOM 0 H HIS A 56 -12.339 -3.009 4.359 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.627 -0.700 2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.695 -1.511 4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.475 -0.034 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -11.059 -0.159 7.055 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.883 0.616 4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.947 1.135 8.161 1.00 0.00 H new ATOM 894 N MET A 57 -10.415 -2.970 1.987 1.00 0.00 N ATOM 895 CA MET A 57 -9.380 -3.405 1.051 1.00 0.00 C ATOM 896 C MET A 57 -9.977 -3.671 -0.332 1.00 0.00 C ATOM 897 O MET A 57 -9.263 -3.689 -1.337 1.00 0.00 O ATOM 898 CB MET A 57 -8.686 -4.665 1.585 1.00 0.00 C ATOM 899 CG MET A 57 -7.571 -5.191 0.690 1.00 0.00 C ATOM 900 SD MET A 57 -6.223 -4.010 0.475 1.00 0.00 S ATOM 901 CE MET A 57 -5.585 -3.902 2.146 1.00 0.00 C ATOM 0 H MET A 57 -10.773 -3.711 2.590 1.00 0.00 H new ATOM 0 HA MET A 57 -8.642 -2.608 0.955 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.274 -4.449 2.571 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.432 -5.449 1.716 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.175 -6.113 1.116 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.985 -5.443 -0.286 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.742 -2.894 2.531 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.106 -4.618 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.519 -4.128 2.144 1.00 0.00 H new ATOM 911 N ASP A 58 -11.296 -3.852 -0.372 1.00 0.00 N ATOM 912 CA ASP A 58 -12.010 -4.142 -1.618 1.00 0.00 C ATOM 913 C ASP A 58 -11.687 -3.119 -2.701 1.00 0.00 C ATOM 914 O ASP A 58 -11.549 -3.470 -3.874 1.00 0.00 O ATOM 915 CB ASP A 58 -13.522 -4.169 -1.374 1.00 0.00 C ATOM 916 CG ASP A 58 -14.313 -4.371 -2.654 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.462 -5.529 -3.092 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.791 -3.373 -3.229 1.00 0.00 O ATOM 0 H ASP A 58 -11.897 -3.803 0.450 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.679 -5.122 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.760 -4.970 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.828 -3.234 -0.905 1.00 0.00 H new ATOM 923 N ALA A 59 -11.547 -1.860 -2.298 1.00 0.00 N ATOM 924 CA ALA A 59 -11.225 -0.786 -3.228 1.00 0.00 C ATOM 925 C ALA A 59 -9.889 -1.049 -3.919 1.00 0.00 C ATOM 926 O ALA A 59 -9.778 -0.940 -5.138 1.00 0.00 O ATOM 927 CB ALA A 59 -11.195 0.550 -2.501 1.00 0.00 C ATOM 0 H ALA A 59 -11.652 -1.559 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.001 -0.750 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.953 1.344 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.171 0.745 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.439 0.520 -1.716 1.00 0.00 H new ATOM 933 N VAL A 60 -8.889 -1.432 -3.133 1.00 0.00 N ATOM 934 CA VAL A 60 -7.559 -1.700 -3.663 1.00 0.00 C ATOM 935 C VAL A 60 -7.599 -2.904 -4.597 1.00 0.00 C ATOM 936 O VAL A 60 -6.955 -2.916 -5.645 1.00 0.00 O ATOM 937 CB VAL A 60 -6.540 -1.964 -2.531 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.132 -2.100 -3.090 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.600 -0.859 -1.486 1.00 0.00 C ATOM 0 H VAL A 60 -8.975 -1.564 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.240 -0.815 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.805 -2.905 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.433 -2.285 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.098 -2.932 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.854 -1.180 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.875 -1.064 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.367 0.097 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.601 -0.818 -1.057 1.00 0.00 H new ATOM 949 N LEU A 61 -8.381 -3.908 -4.214 1.00 0.00 N ATOM 950 CA LEU A 61 -8.558 -5.100 -5.033 1.00 0.00 C ATOM 951 C LEU A 61 -9.220 -4.745 -6.362 1.00 0.00 C ATOM 952 O LEU A 61 -8.884 -5.308 -7.402 1.00 0.00 O ATOM 953 CB LEU A 61 -9.401 -6.138 -4.288 1.00 0.00 C ATOM 954 CG LEU A 61 -8.808 -6.631 -2.966 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.754 -7.610 -2.290 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.449 -7.277 -3.196 1.00 0.00 C ATOM 0 H LEU A 61 -8.904 -3.919 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.575 -5.524 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.384 -5.710 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.553 -6.996 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.673 -5.771 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.316 -7.950 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.705 -7.117 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.920 -8.466 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.044 -7.621 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.559 -8.125 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.770 -6.548 -3.637 1.00 0.00 H new ATOM 968 N ALA A 62 -10.146 -3.789 -6.319 1.00 0.00 N ATOM 969 CA ALA A 62 -10.855 -3.345 -7.515 1.00 0.00 C ATOM 970 C ALA A 62 -9.910 -2.644 -8.485 1.00 0.00 C ATOM 971 O ALA A 62 -10.111 -2.680 -9.698 1.00 0.00 O ATOM 972 CB ALA A 62 -12.008 -2.425 -7.140 1.00 0.00 C ATOM 0 H ALA A 62 -10.423 -3.306 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.259 -4.226 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.526 -2.103 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.704 -2.959 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.621 -1.553 -6.614 1.00 0.00 H new ATOM 978 N LEU A 63 -8.875 -2.010 -7.943 1.00 0.00 N ATOM 979 CA LEU A 63 -7.852 -1.364 -8.764 1.00 0.00 C ATOM 980 C LEU A 63 -6.989 -2.397 -9.488 1.00 0.00 C ATOM 981 O LEU A 63 -6.278 -2.064 -10.438 1.00 0.00 O ATOM 982 CB LEU A 63 -6.965 -0.449 -7.910 1.00 0.00 C ATOM 983 CG LEU A 63 -7.407 1.018 -7.818 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.400 1.662 -9.193 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.784 1.139 -7.184 1.00 0.00 C ATOM 0 H LEU A 63 -8.721 -1.929 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.366 -0.760 -9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.919 -0.858 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.952 -0.479 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.695 1.543 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.716 2.702 -9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.393 1.621 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.086 1.126 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.070 2.190 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.511 0.594 -7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.760 0.720 -6.178 1.00 0.00 H new ATOM 997 N ASN A 64 -7.064 -3.647 -9.033 1.00 0.00 N ATOM 998 CA ASN A 64 -6.305 -4.755 -9.626 1.00 0.00 C ATOM 999 C ASN A 64 -4.801 -4.520 -9.517 1.00 0.00 C ATOM 1000 O ASN A 64 -4.157 -4.070 -10.467 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.686 -4.986 -11.097 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.975 -5.769 -11.286 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -8.914 -5.628 -10.363 1.00 0.00 O flip ATOM 1004 ND2 ASN A 64 -8.127 -6.497 -12.268 1.00 0.00 N flip ATOM 0 H ASN A 64 -7.650 -3.923 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.565 -5.649 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.784 -4.020 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.874 -5.518 -11.593 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.382 -6.582 -12.960 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.998 -7.015 -12.389 1.00 0.00 H new ATOM 1011 N PRO A 65 -4.225 -4.783 -8.340 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.794 -4.690 -8.120 1.00 0.00 C ATOM 1013 C PRO A 65 -2.082 -6.022 -8.348 1.00 0.00 C ATOM 1014 O PRO A 65 -2.696 -7.088 -8.286 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.698 -4.280 -6.648 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.036 -4.585 -6.031 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.920 -5.159 -7.110 1.00 0.00 C ATOM 0 HA PRO A 65 -2.317 -3.993 -8.809 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.904 -4.830 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.461 -3.220 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.926 -5.294 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.480 -3.681 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.019 -6.240 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.926 -4.742 -7.072 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.790 -5.955 -8.625 1.00 0.00 N ATOM 1026 CA ALA A 66 0.027 -7.150 -8.754 1.00 0.00 C ATOM 1027 C ALA A 66 0.786 -7.396 -7.460 1.00 0.00 C ATOM 1028 O ALA A 66 1.126 -8.529 -7.129 1.00 0.00 O ATOM 1029 CB ALA A 66 0.993 -7.017 -9.922 1.00 0.00 C ATOM 0 H ALA A 66 -0.283 -5.081 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.624 -8.002 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.595 -7.922 -10.001 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.431 -6.874 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.646 -6.160 -9.758 1.00 0.00 H new ATOM 1035 N VAL A 67 1.058 -6.314 -6.743 1.00 0.00 N ATOM 1036 CA VAL A 67 1.717 -6.378 -5.445 1.00 0.00 C ATOM 1037 C VAL A 67 1.308 -5.168 -4.613 1.00 0.00 C ATOM 1038 O VAL A 67 1.161 -4.069 -5.148 1.00 0.00 O ATOM 1039 CB VAL A 67 3.261 -6.435 -5.593 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.788 -5.231 -6.358 1.00 0.00 C ATOM 1041 CG2 VAL A 67 3.940 -6.545 -4.234 1.00 0.00 C ATOM 0 H VAL A 67 0.828 -5.367 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 67 1.404 -7.293 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 67 3.501 -7.330 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.872 -5.301 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.345 -5.210 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.525 -4.317 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.021 -6.583 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.681 -5.678 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.605 -7.453 -3.732 1.00 0.00 H new ATOM 1051 N ILE A 68 1.090 -5.368 -3.321 1.00 0.00 N ATOM 1052 CA ILE A 68 0.646 -4.283 -2.455 1.00 0.00 C ATOM 1053 C ILE A 68 1.655 -4.024 -1.342 1.00 0.00 C ATOM 1054 O ILE A 68 2.069 -4.945 -0.634 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.736 -4.579 -1.825 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.766 -4.900 -2.911 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.205 -3.391 -0.991 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -3.122 -5.296 -2.367 1.00 0.00 C ATOM 0 H ILE A 68 1.212 -6.265 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 68 0.561 -3.397 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.636 -5.448 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.884 -4.029 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.384 -5.709 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.178 -3.615 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.486 -3.199 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.286 -2.509 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.798 -5.508 -3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.019 -6.185 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.526 -4.480 -1.768 1.00 0.00 H new ATOM 1070 N LEU A 69 2.050 -2.770 -1.202 1.00 0.00 N ATOM 1071 CA LEU A 69 2.918 -2.357 -0.113 1.00 0.00 C ATOM 1072 C LEU A 69 2.098 -1.623 0.931 1.00 0.00 C ATOM 1073 O LEU A 69 1.316 -0.736 0.593 1.00 0.00 O ATOM 1074 CB LEU A 69 4.040 -1.448 -0.620 1.00 0.00 C ATOM 1075 CG LEU A 69 5.025 -2.097 -1.591 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.085 -1.093 -2.010 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.672 -3.322 -0.964 1.00 0.00 C ATOM 0 H LEU A 69 1.781 -2.016 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 69 3.371 -3.245 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.591 -0.584 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.597 -1.074 0.239 1.00 0.00 H new ATOM 0 HG LEU A 69 4.476 -2.418 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.781 -1.567 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.608 -0.244 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.627 -0.747 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.369 -3.768 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.209 -3.028 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.902 -4.049 -0.707 1.00 0.00 H new ATOM 1089 N LEU A 70 2.261 -1.998 2.186 1.00 0.00 N ATOM 1090 CA LEU A 70 1.503 -1.385 3.260 1.00 0.00 C ATOM 1091 C LEU A 70 2.429 -0.637 4.205 1.00 0.00 C ATOM 1092 O LEU A 70 3.262 -1.243 4.876 1.00 0.00 O ATOM 1093 CB LEU A 70 0.717 -2.453 4.027 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.192 -1.924 5.139 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.283 -1.035 4.564 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.801 -3.077 5.920 1.00 0.00 C ATOM 0 H LEU A 70 2.911 -2.724 2.486 1.00 0.00 H new ATOM 0 HA LEU A 70 0.801 -0.673 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.107 -3.012 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.425 -3.158 4.463 1.00 0.00 H new ATOM 0 HG LEU A 70 0.413 -1.325 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.918 -0.670 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.829 -0.189 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.886 -1.608 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.445 -2.684 6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.390 -3.701 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.006 -3.674 6.366 1.00 0.00 H new ATOM 1108 N GLY A 71 2.294 0.680 4.236 1.00 0.00 N ATOM 1109 CA GLY A 71 3.069 1.484 5.156 1.00 0.00 C ATOM 1110 C GLY A 71 2.251 1.852 6.373 1.00 0.00 C ATOM 1111 O GLY A 71 1.216 2.497 6.246 1.00 0.00 O ATOM 0 H GLY A 71 1.659 1.208 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.959 0.935 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.410 2.390 4.655 1.00 0.00 H new ATOM 1115 N THR A 72 2.697 1.433 7.546 1.00 0.00 N ATOM 1116 CA THR A 72 1.929 1.633 8.769 1.00 0.00 C ATOM 1117 C THR A 72 2.350 2.900 9.520 1.00 0.00 C ATOM 1118 O THR A 72 2.317 2.946 10.752 1.00 0.00 O ATOM 1119 CB THR A 72 2.066 0.406 9.690 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.450 0.110 9.922 1.00 0.00 O ATOM 1121 CG2 THR A 72 1.388 -0.803 9.068 1.00 0.00 C ATOM 0 H THR A 72 3.587 0.952 7.680 1.00 0.00 H new ATOM 0 HA THR A 72 0.886 1.758 8.477 1.00 0.00 H new ATOM 0 HB THR A 72 1.583 0.637 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.889 0.890 10.320 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.494 -1.661 9.732 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.330 -0.589 8.918 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.853 -1.027 8.108 1.00 0.00 H new ATOM 1129 N GLY A 73 2.692 3.941 8.777 1.00 0.00 N ATOM 1130 CA GLY A 73 3.095 5.188 9.389 1.00 0.00 C ATOM 1131 C GLY A 73 4.469 5.147 10.036 1.00 0.00 C ATOM 1132 O GLY A 73 5.408 4.536 9.516 1.00 0.00 O ATOM 0 H GLY A 73 2.697 3.944 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.085 5.972 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.358 5.465 10.143 1.00 0.00 H new ATOM 1136 N GLU A 74 4.572 5.817 11.182 1.00 0.00 N ATOM 1137 CA GLU A 74 5.840 5.989 11.885 1.00 0.00 C ATOM 1138 C GLU A 74 6.138 4.774 12.764 1.00 0.00 C ATOM 1139 O GLU A 74 7.254 4.601 13.257 1.00 0.00 O ATOM 1140 CB GLU A 74 5.766 7.262 12.742 1.00 0.00 C ATOM 1141 CG GLU A 74 7.113 7.788 13.214 1.00 0.00 C ATOM 1142 CD GLU A 74 7.985 8.280 12.073 1.00 0.00 C ATOM 1143 OE1 GLU A 74 7.628 9.296 11.440 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.038 7.656 11.817 1.00 0.00 O ATOM 0 H GLU A 74 3.778 6.256 11.649 1.00 0.00 H new ATOM 0 HA GLU A 74 6.646 6.083 11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.267 8.042 12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.144 7.061 13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.953 8.603 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.638 6.999 13.752 1.00 0.00 H new ATOM 1151 N ARG A 75 5.130 3.935 12.950 1.00 0.00 N ATOM 1152 CA ARG A 75 5.265 2.739 13.765 1.00 0.00 C ATOM 1153 C ARG A 75 5.069 1.506 12.898 1.00 0.00 C ATOM 1154 O ARG A 75 4.540 1.601 11.796 1.00 0.00 O ATOM 1155 CB ARG A 75 4.243 2.743 14.910 1.00 0.00 C ATOM 1156 CG ARG A 75 2.795 2.792 14.442 1.00 0.00 C ATOM 1157 CD ARG A 75 1.821 2.682 15.609 1.00 0.00 C ATOM 1158 NE ARG A 75 1.980 3.771 16.573 1.00 0.00 N ATOM 1159 CZ ARG A 75 1.133 4.018 17.575 1.00 0.00 C ATOM 1160 NH1 ARG A 75 0.082 3.231 17.781 1.00 0.00 N ATOM 1161 NH2 ARG A 75 1.358 5.038 18.392 1.00 0.00 N ATOM 0 H ARG A 75 4.203 4.063 12.544 1.00 0.00 H new ATOM 0 HA ARG A 75 6.265 2.723 14.199 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.389 1.850 15.517 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.436 3.601 15.554 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.617 3.724 13.906 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.612 1.980 13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.800 2.684 15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.970 1.728 16.115 1.00 0.00 H new ATOM 0 HE ARG A 75 2.791 4.381 16.473 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.083 2.430 17.171 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.560 3.428 18.549 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.176 5.631 18.254 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.713 5.229 19.158 1.00 0.00 H new ATOM 1175 N GLN A 76 5.508 0.357 13.379 1.00 0.00 N ATOM 1176 CA GLN A 76 5.318 -0.882 12.648 1.00 0.00 C ATOM 1177 C GLN A 76 4.132 -1.651 13.213 1.00 0.00 C ATOM 1178 O GLN A 76 4.120 -2.018 14.391 1.00 0.00 O ATOM 1179 CB GLN A 76 6.584 -1.740 12.694 1.00 0.00 C ATOM 1180 CG GLN A 76 6.463 -3.039 11.915 1.00 0.00 C ATOM 1181 CD GLN A 76 7.773 -3.792 11.831 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.090 -4.613 12.690 1.00 0.00 O ATOM 1183 NE2 GLN A 76 8.543 -3.519 10.791 1.00 0.00 N ATOM 0 H GLN A 76 5.996 0.256 14.269 1.00 0.00 H new ATOM 0 HA GLN A 76 5.112 -0.638 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.419 -1.163 12.296 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.821 -1.969 13.733 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.713 -3.673 12.388 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.108 -2.822 10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.243 -2.831 10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.437 -3.997 10.679 1.00 0.00 H new ATOM 1192 N GLN A 77 3.129 -1.867 12.375 1.00 0.00 N ATOM 1193 CA GLN A 77 1.940 -2.604 12.775 1.00 0.00 C ATOM 1194 C GLN A 77 1.802 -3.868 11.932 1.00 0.00 C ATOM 1195 O GLN A 77 2.316 -3.933 10.815 1.00 0.00 O ATOM 1196 CB GLN A 77 0.688 -1.733 12.623 1.00 0.00 C ATOM 1197 CG GLN A 77 0.715 -0.459 13.452 1.00 0.00 C ATOM 1198 CD GLN A 77 -0.549 0.366 13.292 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.642 1.229 12.416 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -1.538 0.104 14.129 1.00 0.00 N ATOM 0 H GLN A 77 3.115 -1.540 11.409 1.00 0.00 H new ATOM 0 HA GLN A 77 2.042 -2.883 13.824 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.568 -1.468 11.573 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.186 -2.319 12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.846 -0.716 14.503 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.576 0.142 13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.426 -0.617 14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.414 0.623 14.062 1.00 0.00 H new ATOM 1209 N PHE A 78 1.123 -4.870 12.471 1.00 0.00 N ATOM 1210 CA PHE A 78 0.907 -6.117 11.749 1.00 0.00 C ATOM 1211 C PHE A 78 -0.574 -6.270 11.394 1.00 0.00 C ATOM 1212 O PHE A 78 -1.441 -6.102 12.254 1.00 0.00 O ATOM 1213 CB PHE A 78 1.384 -7.308 12.588 1.00 0.00 C ATOM 1214 CG PHE A 78 1.360 -8.614 11.846 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.310 -8.889 10.876 1.00 0.00 C ATOM 1216 CD2 PHE A 78 0.383 -9.559 12.108 1.00 0.00 C ATOM 1217 CE1 PHE A 78 2.289 -10.085 10.184 1.00 0.00 C ATOM 1218 CE2 PHE A 78 0.355 -10.756 11.419 1.00 0.00 C ATOM 1219 CZ PHE A 78 1.308 -11.019 10.455 1.00 0.00 C ATOM 0 H PHE A 78 0.712 -4.845 13.404 1.00 0.00 H new ATOM 0 HA PHE A 78 1.486 -6.093 10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.399 -7.115 12.934 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.756 -7.392 13.475 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.076 -8.160 10.658 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.366 -9.358 12.860 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.038 -10.289 9.433 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.412 -11.486 11.634 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.286 -11.953 9.914 1.00 0.00 H new ATOM 1229 N PRO A 79 -0.886 -6.565 10.116 1.00 0.00 N ATOM 1230 CA PRO A 79 -2.267 -6.702 9.649 1.00 0.00 C ATOM 1231 C PRO A 79 -2.918 -7.999 10.117 1.00 0.00 C ATOM 1232 O PRO A 79 -2.240 -8.925 10.561 1.00 0.00 O ATOM 1233 CB PRO A 79 -2.149 -6.703 8.115 1.00 0.00 C ATOM 1234 CG PRO A 79 -0.717 -6.403 7.808 1.00 0.00 C ATOM 1235 CD PRO A 79 0.072 -6.785 9.027 1.00 0.00 C ATOM 0 HA PRO A 79 -2.894 -5.901 10.041 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.442 -7.668 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.807 -5.955 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.381 -6.966 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.584 -5.346 7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.405 -7.822 8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.963 -6.168 9.142 1.00 0.00 H new ATOM 1243 N SER A 80 -4.235 -8.063 9.999 1.00 0.00 N ATOM 1244 CA SER A 80 -4.980 -9.244 10.393 1.00 0.00 C ATOM 1245 C SER A 80 -4.818 -10.349 9.356 1.00 0.00 C ATOM 1246 O SER A 80 -4.600 -10.077 8.170 1.00 0.00 O ATOM 1247 CB SER A 80 -6.457 -8.889 10.575 1.00 0.00 C ATOM 1248 OG SER A 80 -6.958 -8.198 9.441 1.00 0.00 O ATOM 0 H SER A 80 -4.811 -7.306 9.631 1.00 0.00 H new ATOM 0 HA SER A 80 -4.586 -9.609 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.036 -9.798 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.579 -8.271 11.465 1.00 0.00 H new ATOM 0 HG SER A 80 -7.904 -7.983 9.580 1.00 0.00 H new ATOM 1254 N THR A 81 -4.928 -11.593 9.803 1.00 0.00 N ATOM 1255 CA THR A 81 -4.769 -12.742 8.939 1.00 0.00 C ATOM 1256 C THR A 81 -5.857 -12.786 7.870 1.00 0.00 C ATOM 1257 O THR A 81 -5.638 -13.292 6.768 1.00 0.00 O ATOM 1258 CB THR A 81 -4.805 -14.024 9.778 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.920 -13.982 10.677 1.00 0.00 O ATOM 1260 CG2 THR A 81 -3.515 -14.184 10.569 1.00 0.00 C ATOM 0 H THR A 81 -5.130 -11.828 10.775 1.00 0.00 H new ATOM 0 HA THR A 81 -3.807 -12.661 8.434 1.00 0.00 H new ATOM 0 HB THR A 81 -4.909 -14.876 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.941 -14.804 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.561 -15.100 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.671 -14.236 9.882 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.388 -13.330 11.235 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.022 -12.237 8.202 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.142 -12.162 7.268 1.00 0.00 C ATOM 1270 C ASP A 82 -7.741 -11.388 6.017 1.00 0.00 C ATOM 1271 O ASP A 82 -7.967 -11.836 4.893 1.00 0.00 O ATOM 1272 CB ASP A 82 -9.348 -11.483 7.930 1.00 0.00 C ATOM 1273 CG ASP A 82 -9.823 -12.205 9.177 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -9.200 -12.025 10.248 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -10.823 -12.948 9.102 1.00 0.00 O ATOM 0 H ASP A 82 -7.216 -11.834 9.119 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.418 -13.178 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.084 -10.458 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.167 -11.430 7.213 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.125 -10.228 6.223 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.675 -9.392 5.116 1.00 0.00 C ATOM 1282 C VAL A 83 -5.523 -10.061 4.372 1.00 0.00 C ATOM 1283 O VAL A 83 -5.472 -10.042 3.141 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.231 -7.994 5.604 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.760 -7.133 4.439 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.364 -7.305 6.349 1.00 0.00 C ATOM 0 H VAL A 83 -6.926 -9.846 7.147 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.521 -9.268 4.439 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.393 -8.126 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.453 -6.155 4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.915 -7.616 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.574 -7.011 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.034 -6.322 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.221 -7.192 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.651 -7.906 7.212 1.00 0.00 H new ATOM 1296 N LEU A 84 -4.609 -10.661 5.129 1.00 0.00 N ATOM 1297 CA LEU A 84 -3.472 -11.366 4.547 1.00 0.00 C ATOM 1298 C LEU A 84 -3.949 -12.478 3.619 1.00 0.00 C ATOM 1299 O LEU A 84 -3.536 -12.553 2.462 1.00 0.00 O ATOM 1300 CB LEU A 84 -2.585 -11.953 5.648 1.00 0.00 C ATOM 1301 CG LEU A 84 -1.949 -10.933 6.596 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.180 -11.639 7.702 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.034 -9.987 5.831 1.00 0.00 C ATOM 0 H LEU A 84 -4.634 -10.673 6.149 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.889 -10.650 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.181 -12.649 6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.790 -12.533 5.179 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.746 -10.346 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.735 -10.898 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.860 -12.273 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.393 -12.252 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.592 -9.270 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.243 -10.559 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.611 -9.454 5.076 1.00 0.00 H new ATOM 1315 N ALA A 85 -4.839 -13.324 4.128 1.00 0.00 N ATOM 1316 CA ALA A 85 -5.366 -14.442 3.356 1.00 0.00 C ATOM 1317 C ALA A 85 -6.115 -13.956 2.121 1.00 0.00 C ATOM 1318 O ALA A 85 -5.982 -14.534 1.042 1.00 0.00 O ATOM 1319 CB ALA A 85 -6.274 -15.305 4.219 1.00 0.00 C ATOM 0 H ALA A 85 -5.211 -13.255 5.075 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.521 -15.045 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.658 -16.135 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.709 -15.695 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.107 -14.704 4.585 1.00 0.00 H new ATOM 1325 N ALA A 86 -6.896 -12.891 2.283 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.664 -12.322 1.179 1.00 0.00 C ATOM 1327 C ALA A 86 -6.752 -11.926 0.021 1.00 0.00 C ATOM 1328 O ALA A 86 -7.030 -12.245 -1.138 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.470 -11.120 1.656 1.00 0.00 C ATOM 0 H ALA A 86 -7.014 -12.403 3.171 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.353 -13.086 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.037 -10.708 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.157 -11.432 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.793 -10.360 2.046 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.656 -11.251 0.341 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.704 -10.814 -0.672 1.00 0.00 C ATOM 1337 C CYS A 87 -4.023 -12.014 -1.325 1.00 0.00 C ATOM 1338 O CYS A 87 -3.909 -12.088 -2.551 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.658 -9.887 -0.050 1.00 0.00 C ATOM 1340 SG CYS A 87 -4.363 -8.472 0.827 1.00 0.00 S ATOM 0 H CYS A 87 -5.404 -10.994 1.295 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.248 -10.266 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.043 -10.462 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.997 -9.522 -0.836 1.00 0.00 H new ATOM 0 HG CYS A 87 -4.767 -8.848 2.004 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.599 -12.966 -0.499 1.00 0.00 N ATOM 1347 CA LEU A 88 -2.913 -14.158 -0.986 1.00 0.00 C ATOM 1348 C LEU A 88 -3.823 -14.983 -1.891 1.00 0.00 C ATOM 1349 O LEU A 88 -3.381 -15.509 -2.914 1.00 0.00 O ATOM 1350 CB LEU A 88 -2.423 -15.005 0.189 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.385 -14.324 1.085 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -1.018 -15.219 2.258 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.146 -13.956 0.282 1.00 0.00 C ATOM 0 H LEU A 88 -3.719 -12.935 0.513 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.052 -13.838 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.282 -15.284 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.995 -15.929 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.822 -13.407 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.279 -14.716 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.910 -15.429 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.602 -16.155 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.581 -13.473 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.293 -14.858 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.423 -13.273 -0.521 1.00 0.00 H new ATOM 1365 N THR A 89 -5.097 -15.073 -1.523 1.00 0.00 N ATOM 1366 CA THR A 89 -6.080 -15.798 -2.322 1.00 0.00 C ATOM 1367 C THR A 89 -6.257 -15.130 -3.686 1.00 0.00 C ATOM 1368 O THR A 89 -6.444 -15.802 -4.703 1.00 0.00 O ATOM 1369 CB THR A 89 -7.444 -15.871 -1.600 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.273 -16.413 -0.284 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.433 -16.733 -2.372 1.00 0.00 C ATOM 0 H THR A 89 -5.474 -14.652 -0.674 1.00 0.00 H new ATOM 0 HA THR A 89 -5.708 -16.813 -2.462 1.00 0.00 H new ATOM 0 HB THR A 89 -7.842 -14.858 -1.536 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.808 -15.761 0.281 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.383 -16.764 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.588 -16.309 -3.364 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.037 -17.744 -2.468 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.173 -13.802 -3.700 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.270 -13.035 -4.938 1.00 0.00 C ATOM 1381 C ARG A 90 -5.002 -13.214 -5.776 1.00 0.00 C ATOM 1382 O ARG A 90 -4.996 -12.958 -6.978 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.485 -11.548 -4.617 1.00 0.00 C ATOM 1384 CG ARG A 90 -6.712 -10.658 -5.835 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.149 -10.712 -6.335 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.504 -12.010 -6.908 1.00 0.00 N ATOM 1387 CZ ARG A 90 -9.667 -12.624 -6.690 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -10.583 -12.057 -5.913 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -9.922 -13.797 -7.257 1.00 0.00 N ATOM 0 H ARG A 90 -6.037 -13.233 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.121 -13.402 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.343 -11.455 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.616 -11.179 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.457 -9.629 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.040 -10.965 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.824 -10.488 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.296 -9.936 -7.086 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.822 -12.472 -7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.397 -11.151 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.473 -12.527 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.226 -14.233 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.813 -14.263 -7.087 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.932 -13.666 -5.130 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.670 -13.865 -5.817 1.00 0.00 C ATOM 1405 C GLY A 91 -1.754 -12.669 -5.678 1.00 0.00 C ATOM 1406 O GLY A 91 -0.822 -12.490 -6.464 1.00 0.00 O ATOM 0 H GLY A 91 -3.917 -13.899 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.175 -14.749 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.859 -14.056 -6.873 1.00 0.00 H new ATOM 1410 N ILE A 92 -2.015 -11.851 -4.668 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.250 -10.635 -4.448 1.00 0.00 C ATOM 1412 C ILE A 92 -0.472 -10.721 -3.141 1.00 0.00 C ATOM 1413 O ILE A 92 -0.989 -11.205 -2.134 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.174 -9.399 -4.395 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.109 -9.375 -5.604 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.349 -8.122 -4.346 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.140 -8.270 -5.549 1.00 0.00 C ATOM 0 H ILE A 92 -2.756 -12.010 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.558 -10.531 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.778 -9.462 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.515 -9.261 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.621 -10.335 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.015 -7.260 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.717 -8.131 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.723 -8.059 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.768 -8.314 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.760 -8.394 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.636 -7.304 -5.508 1.00 0.00 H new ATOM 1429 N GLY A 93 0.770 -10.263 -3.163 1.00 0.00 N ATOM 1430 CA GLY A 93 1.563 -10.221 -1.955 1.00 0.00 C ATOM 1431 C GLY A 93 1.375 -8.916 -1.212 1.00 0.00 C ATOM 1432 O GLY A 93 1.299 -7.849 -1.828 1.00 0.00 O ATOM 0 H GLY A 93 1.243 -9.919 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.285 -11.053 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.616 -10.350 -2.205 1.00 0.00 H new ATOM 1436 N LEU A 94 1.289 -9.000 0.105 1.00 0.00 N ATOM 1437 CA LEU A 94 1.091 -7.823 0.936 1.00 0.00 C ATOM 1438 C LEU A 94 2.269 -7.644 1.883 1.00 0.00 C ATOM 1439 O LEU A 94 2.420 -8.389 2.855 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.216 -7.939 1.728 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.519 -6.766 2.665 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.644 -5.467 1.884 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.789 -7.033 3.461 1.00 0.00 C ATOM 0 H LEU A 94 1.354 -9.875 0.624 1.00 0.00 H new ATOM 0 HA LEU A 94 1.026 -6.948 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.041 -8.042 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.184 -8.855 2.318 1.00 0.00 H new ATOM 0 HG LEU A 94 0.313 -6.665 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.859 -4.649 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.291 -5.265 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.453 -5.555 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.989 -6.189 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.627 -7.164 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.662 -7.937 4.056 1.00 0.00 H new ATOM 1455 N GLU A 95 3.110 -6.668 1.588 1.00 0.00 N ATOM 1456 CA GLU A 95 4.277 -6.401 2.412 1.00 0.00 C ATOM 1457 C GLU A 95 3.991 -5.270 3.389 1.00 0.00 C ATOM 1458 O GLU A 95 3.884 -4.107 2.995 1.00 0.00 O ATOM 1459 CB GLU A 95 5.484 -6.051 1.539 1.00 0.00 C ATOM 1460 CG GLU A 95 5.882 -7.158 0.574 1.00 0.00 C ATOM 1461 CD GLU A 95 6.192 -8.464 1.277 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.197 -8.526 2.012 1.00 0.00 O ATOM 1463 OE2 GLU A 95 5.437 -9.441 1.088 1.00 0.00 O ATOM 0 H GLU A 95 3.007 -6.048 0.785 1.00 0.00 H new ATOM 0 HA GLU A 95 4.508 -7.303 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.260 -5.148 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.332 -5.820 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.075 -7.318 -0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.755 -6.841 0.004 1.00 0.00 H new ATOM 1470 N ALA A 96 3.846 -5.619 4.658 1.00 0.00 N ATOM 1471 CA ALA A 96 3.579 -4.635 5.696 1.00 0.00 C ATOM 1472 C ALA A 96 4.882 -4.108 6.283 1.00 0.00 C ATOM 1473 O ALA A 96 5.635 -4.850 6.914 1.00 0.00 O ATOM 1474 CB ALA A 96 2.712 -5.238 6.791 1.00 0.00 C ATOM 0 H ALA A 96 3.909 -6.580 4.995 1.00 0.00 H new ATOM 0 HA ALA A 96 3.041 -3.801 5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.522 -4.488 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.765 -5.569 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.227 -6.090 7.235 1.00 0.00 H new ATOM 1480 N MET A 97 5.145 -2.831 6.061 1.00 0.00 N ATOM 1481 CA MET A 97 6.371 -2.200 6.528 1.00 0.00 C ATOM 1482 C MET A 97 6.064 -0.803 7.050 1.00 0.00 C ATOM 1483 O MET A 97 4.910 -0.383 7.084 1.00 0.00 O ATOM 1484 CB MET A 97 7.398 -2.103 5.390 1.00 0.00 C ATOM 1485 CG MET A 97 7.795 -3.439 4.781 1.00 0.00 C ATOM 1486 SD MET A 97 8.990 -3.261 3.440 1.00 0.00 S ATOM 1487 CE MET A 97 9.149 -4.966 2.909 1.00 0.00 C ATOM 0 H MET A 97 4.519 -2.204 5.555 1.00 0.00 H new ATOM 0 HA MET A 97 6.789 -2.810 7.329 1.00 0.00 H new ATOM 0 HB2 MET A 97 6.991 -1.467 4.604 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.294 -1.610 5.767 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.218 -4.077 5.557 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.904 -3.942 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.195 -5.185 2.696 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.793 -5.628 3.699 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.555 -5.124 2.009 1.00 0.00 H new ATOM 1497 N THR A 98 7.094 -0.084 7.458 1.00 0.00 N ATOM 1498 CA THR A 98 6.937 1.308 7.831 1.00 0.00 C ATOM 1499 C THR A 98 7.083 2.186 6.595 1.00 0.00 C ATOM 1500 O THR A 98 7.507 1.703 5.544 1.00 0.00 O ATOM 1501 CB THR A 98 7.969 1.712 8.896 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.253 1.166 8.562 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.544 1.225 10.272 1.00 0.00 C ATOM 0 H THR A 98 8.046 -0.441 7.539 1.00 0.00 H new ATOM 0 HA THR A 98 5.943 1.445 8.258 1.00 0.00 H new ATOM 0 HB THR A 98 8.032 2.800 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.907 1.428 9.243 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.289 1.522 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.581 1.664 10.532 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.456 0.139 10.262 1.00 0.00 H new ATOM 1511 N ASN A 99 6.732 3.460 6.718 1.00 0.00 N ATOM 1512 CA ASN A 99 6.790 4.394 5.591 1.00 0.00 C ATOM 1513 C ASN A 99 8.144 4.372 4.894 1.00 0.00 C ATOM 1514 O ASN A 99 8.218 4.218 3.672 1.00 0.00 O ATOM 1515 CB ASN A 99 6.486 5.815 6.057 1.00 0.00 C ATOM 1516 CG ASN A 99 5.002 6.094 6.152 1.00 0.00 C ATOM 1517 OD1 ASN A 99 4.635 7.354 6.001 1.00 0.00 O flip ATOM 1518 ND2 ASN A 99 4.196 5.189 6.363 1.00 0.00 N flip ATOM 0 H ASN A 99 6.402 3.875 7.589 1.00 0.00 H new ATOM 0 HA ASN A 99 6.035 4.070 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.945 5.979 7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.941 6.525 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.524 4.229 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.200 5.398 6.428 1.00 0.00 H new ATOM 1525 N ALA A 100 9.207 4.518 5.670 1.00 0.00 N ATOM 1526 CA ALA A 100 10.554 4.547 5.118 1.00 0.00 C ATOM 1527 C ALA A 100 10.897 3.223 4.430 1.00 0.00 C ATOM 1528 O ALA A 100 11.462 3.205 3.335 1.00 0.00 O ATOM 1529 CB ALA A 100 11.567 4.846 6.213 1.00 0.00 C ATOM 0 H ALA A 100 9.164 4.618 6.684 1.00 0.00 H new ATOM 0 HA ALA A 100 10.595 5.339 4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.570 4.865 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.345 5.815 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.513 4.073 6.979 1.00 0.00 H new ATOM 1535 N ALA A 101 10.533 2.119 5.075 1.00 0.00 N ATOM 1536 CA ALA A 101 10.840 0.788 4.558 1.00 0.00 C ATOM 1537 C ALA A 101 10.039 0.486 3.293 1.00 0.00 C ATOM 1538 O ALA A 101 10.544 -0.149 2.361 1.00 0.00 O ATOM 1539 CB ALA A 101 10.562 -0.259 5.623 1.00 0.00 C ATOM 0 H ALA A 101 10.024 2.119 5.959 1.00 0.00 H new ATOM 0 HA ALA A 101 11.898 0.760 4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.793 -1.249 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.182 -0.062 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.511 -0.218 5.907 1.00 0.00 H new ATOM 1545 N ALA A 102 8.793 0.944 3.264 1.00 0.00 N ATOM 1546 CA ALA A 102 7.932 0.751 2.106 1.00 0.00 C ATOM 1547 C ALA A 102 8.483 1.498 0.898 1.00 0.00 C ATOM 1548 O ALA A 102 8.600 0.935 -0.188 1.00 0.00 O ATOM 1549 CB ALA A 102 6.514 1.209 2.414 1.00 0.00 C ATOM 0 H ALA A 102 8.356 1.453 4.032 1.00 0.00 H new ATOM 0 HA ALA A 102 7.908 -0.313 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.884 1.057 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.118 0.631 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.522 2.267 2.676 1.00 0.00 H new ATOM 1555 N ALA A 103 8.842 2.764 1.102 1.00 0.00 N ATOM 1556 CA ALA A 103 9.396 3.590 0.033 1.00 0.00 C ATOM 1557 C ALA A 103 10.729 3.029 -0.455 1.00 0.00 C ATOM 1558 O ALA A 103 11.043 3.093 -1.645 1.00 0.00 O ATOM 1559 CB ALA A 103 9.563 5.026 0.509 1.00 0.00 C ATOM 0 H ALA A 103 8.759 3.240 2.000 1.00 0.00 H new ATOM 0 HA ALA A 103 8.699 3.578 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.977 5.631 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.593 5.427 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.239 5.050 1.364 1.00 0.00 H new ATOM 1565 N ARG A 104 11.496 2.473 0.478 1.00 0.00 N ATOM 1566 CA ARG A 104 12.781 1.848 0.172 1.00 0.00 C ATOM 1567 C ARG A 104 12.601 0.783 -0.912 1.00 0.00 C ATOM 1568 O ARG A 104 13.297 0.788 -1.929 1.00 0.00 O ATOM 1569 CB ARG A 104 13.351 1.224 1.459 1.00 0.00 C ATOM 1570 CG ARG A 104 14.856 0.950 1.461 1.00 0.00 C ATOM 1571 CD ARG A 104 15.250 -0.196 0.543 1.00 0.00 C ATOM 1572 NE ARG A 104 16.522 -0.804 0.938 1.00 0.00 N ATOM 1573 CZ ARG A 104 17.690 -0.572 0.343 1.00 0.00 C ATOM 1574 NH1 ARG A 104 17.774 0.299 -0.652 1.00 0.00 N ATOM 1575 NH2 ARG A 104 18.778 -1.212 0.751 1.00 0.00 N ATOM 0 H ARG A 104 11.246 2.442 1.466 1.00 0.00 H new ATOM 0 HA ARG A 104 13.478 2.597 -0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.121 1.887 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.830 0.285 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 104 15.385 1.853 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.177 0.722 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.467 -0.954 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.326 0.170 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 104 16.513 -1.452 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.941 0.796 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 104 18.672 0.472 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 104 18.719 -1.880 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 104 19.674 -1.036 0.296 1.00 0.00 H new ATOM 1589 N THR A 105 11.639 -0.104 -0.698 1.00 0.00 N ATOM 1590 CA THR A 105 11.393 -1.211 -1.614 1.00 0.00 C ATOM 1591 C THR A 105 10.563 -0.761 -2.820 1.00 0.00 C ATOM 1592 O THR A 105 10.685 -1.316 -3.917 1.00 0.00 O ATOM 1593 CB THR A 105 10.664 -2.356 -0.881 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.304 -2.605 0.381 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.672 -3.632 -1.713 1.00 0.00 C ATOM 0 H THR A 105 11.013 -0.078 0.107 1.00 0.00 H new ATOM 0 HA THR A 105 12.358 -1.566 -1.975 1.00 0.00 H new ATOM 0 HB THR A 105 9.629 -2.055 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.082 -1.886 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.151 -4.422 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.169 -3.450 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.701 -3.938 -1.900 1.00 0.00 H new ATOM 1603 N TYR A 106 9.736 0.262 -2.614 1.00 0.00 N ATOM 1604 CA TYR A 106 8.856 0.779 -3.660 1.00 0.00 C ATOM 1605 C TYR A 106 9.651 1.203 -4.891 1.00 0.00 C ATOM 1606 O TYR A 106 9.211 0.991 -6.023 1.00 0.00 O ATOM 1607 CB TYR A 106 8.042 1.964 -3.128 1.00 0.00 C ATOM 1608 CG TYR A 106 7.028 2.512 -4.109 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.806 1.879 -4.297 1.00 0.00 C ATOM 1610 CD2 TYR A 106 7.292 3.661 -4.845 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.875 2.377 -5.187 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.366 4.164 -5.738 1.00 0.00 C ATOM 1613 CZ TYR A 106 5.161 3.517 -5.906 1.00 0.00 C ATOM 1614 OH TYR A 106 4.238 4.014 -6.796 1.00 0.00 O ATOM 0 H TYR A 106 9.657 0.753 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 106 8.176 -0.021 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.523 1.655 -2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.727 2.764 -2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.580 0.983 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.236 4.169 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.928 1.876 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.585 5.059 -6.301 1.00 0.00 H new ATOM 0 HH TYR A 106 4.595 4.823 -7.220 1.00 0.00 H new ATOM 1624 N ASN A 107 10.824 1.788 -4.661 1.00 0.00 N ATOM 1625 CA ASN A 107 11.688 2.241 -5.747 1.00 0.00 C ATOM 1626 C ASN A 107 11.990 1.100 -6.716 1.00 0.00 C ATOM 1627 O ASN A 107 11.874 1.256 -7.929 1.00 0.00 O ATOM 1628 CB ASN A 107 12.997 2.813 -5.188 1.00 0.00 C ATOM 1629 CG ASN A 107 13.923 3.324 -6.279 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.839 4.483 -6.686 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.824 2.473 -6.748 1.00 0.00 N ATOM 0 H ASN A 107 11.199 1.960 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 107 11.162 3.026 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.769 3.626 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.510 2.042 -4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.479 2.771 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.863 1.520 -6.386 1.00 0.00 H new ATOM 1638 N VAL A 108 12.340 -0.057 -6.165 1.00 0.00 N ATOM 1639 CA VAL A 108 12.697 -1.214 -6.979 1.00 0.00 C ATOM 1640 C VAL A 108 11.496 -1.707 -7.776 1.00 0.00 C ATOM 1641 O VAL A 108 11.606 -2.010 -8.964 1.00 0.00 O ATOM 1642 CB VAL A 108 13.241 -2.368 -6.108 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.672 -3.545 -6.971 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.397 -1.886 -5.248 1.00 0.00 C ATOM 0 H VAL A 108 12.384 -0.219 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 108 13.480 -0.895 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 108 12.438 -2.705 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.051 -4.344 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.818 -3.910 -7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.456 -3.225 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.768 -2.712 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.198 -1.518 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 108 14.055 -1.082 -4.596 1.00 0.00 H new ATOM 1654 N LEU A 109 10.341 -1.759 -7.125 1.00 0.00 N ATOM 1655 CA LEU A 109 9.126 -2.243 -7.765 1.00 0.00 C ATOM 1656 C LEU A 109 8.712 -1.320 -8.911 1.00 0.00 C ATOM 1657 O LEU A 109 8.247 -1.780 -9.959 1.00 0.00 O ATOM 1658 CB LEU A 109 7.992 -2.361 -6.743 1.00 0.00 C ATOM 1659 CG LEU A 109 8.305 -3.231 -5.521 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.070 -3.394 -4.654 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.838 -4.590 -5.944 1.00 0.00 C ATOM 0 H LEU A 109 10.221 -1.472 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 109 9.330 -3.232 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.728 -1.361 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.114 -2.768 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 109 9.077 -2.729 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.311 -4.015 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.732 -2.415 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.279 -3.870 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.052 -5.188 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.092 -5.099 -6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.752 -4.458 -6.523 1.00 0.00 H new ATOM 1673 N ALA A 110 8.896 -0.021 -8.712 1.00 0.00 N ATOM 1674 CA ALA A 110 8.598 0.964 -9.743 1.00 0.00 C ATOM 1675 C ALA A 110 9.560 0.821 -10.918 1.00 0.00 C ATOM 1676 O ALA A 110 9.155 0.911 -12.080 1.00 0.00 O ATOM 1677 CB ALA A 110 8.665 2.369 -9.167 1.00 0.00 C ATOM 0 H ALA A 110 9.252 0.376 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 110 7.586 0.786 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.440 3.094 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.937 2.467 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.666 2.555 -8.777 1.00 0.00 H new ATOM 1683 N SER A 111 10.830 0.585 -10.606 1.00 0.00 N ATOM 1684 CA SER A 111 11.851 0.392 -11.627 1.00 0.00 C ATOM 1685 C SER A 111 11.625 -0.906 -12.400 1.00 0.00 C ATOM 1686 O SER A 111 11.982 -1.004 -13.577 1.00 0.00 O ATOM 1687 CB SER A 111 13.240 0.399 -10.989 1.00 0.00 C ATOM 1688 OG SER A 111 13.556 1.686 -10.485 1.00 0.00 O ATOM 0 H SER A 111 11.177 0.523 -9.649 1.00 0.00 H new ATOM 0 HA SER A 111 11.782 1.217 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.278 -0.332 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.985 0.099 -11.726 1.00 0.00 H new ATOM 0 HG SER A 111 13.115 1.816 -9.620 1.00 0.00 H new ATOM 1694 N GLU A 112 11.031 -1.900 -11.748 1.00 0.00 N ATOM 1695 CA GLU A 112 10.721 -3.164 -12.407 1.00 0.00 C ATOM 1696 C GLU A 112 9.599 -2.970 -13.423 1.00 0.00 C ATOM 1697 O GLU A 112 9.621 -3.545 -14.511 1.00 0.00 O ATOM 1698 CB GLU A 112 10.323 -4.233 -11.388 1.00 0.00 C ATOM 1699 CG GLU A 112 10.169 -5.615 -12.001 1.00 0.00 C ATOM 1700 CD GLU A 112 9.704 -6.663 -11.008 1.00 0.00 C ATOM 1701 OE1 GLU A 112 9.944 -6.492 -9.796 1.00 0.00 O ATOM 1702 OE2 GLU A 112 9.110 -7.669 -11.444 1.00 0.00 O ATOM 0 H GLU A 112 10.755 -1.855 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 112 11.618 -3.502 -12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.076 -4.273 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.383 -3.945 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.456 -5.563 -12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.124 -5.925 -12.426 1.00 0.00 H new ATOM 1709 N GLY A 113 8.632 -2.137 -13.067 1.00 0.00 N ATOM 1710 CA GLY A 113 7.508 -1.891 -13.951 1.00 0.00 C ATOM 1711 C GLY A 113 6.362 -2.840 -13.680 1.00 0.00 C ATOM 1712 O GLY A 113 5.732 -3.356 -14.603 1.00 0.00 O ATOM 0 H GLY A 113 8.604 -1.627 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.166 -0.863 -13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.830 -1.997 -14.987 1.00 0.00 H new ATOM 1716 N ARG A 114 6.099 -3.075 -12.406 1.00 0.00 N ATOM 1717 CA ARG A 114 5.018 -3.955 -11.991 1.00 0.00 C ATOM 1718 C ARG A 114 3.890 -3.134 -11.383 1.00 0.00 C ATOM 1719 O ARG A 114 4.129 -2.051 -10.843 1.00 0.00 O ATOM 1720 CB ARG A 114 5.542 -4.992 -10.991 1.00 0.00 C ATOM 1721 CG ARG A 114 6.218 -4.373 -9.777 1.00 0.00 C ATOM 1722 CD ARG A 114 7.141 -5.358 -9.079 1.00 0.00 C ATOM 1723 NE ARG A 114 6.422 -6.436 -8.406 1.00 0.00 N ATOM 1724 CZ ARG A 114 7.028 -7.414 -7.729 1.00 0.00 C ATOM 1725 NH1 ARG A 114 8.353 -7.519 -7.752 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.306 -8.309 -7.068 1.00 0.00 N ATOM 0 H ARG A 114 6.624 -2.665 -11.634 1.00 0.00 H new ATOM 0 HA ARG A 114 4.628 -4.486 -12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.712 -5.615 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.250 -5.648 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.789 -3.497 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.459 -4.027 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.826 -5.787 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.749 -4.823 -8.349 1.00 0.00 H new ATOM 0 HE ARG A 114 5.403 -6.442 -8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.908 -6.852 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.814 -8.267 -7.234 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.288 -8.250 -7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.769 -9.056 -6.551 1.00 0.00 H new ATOM 1740 N ARG A 115 2.666 -3.636 -11.482 1.00 0.00 N ATOM 1741 CA ARG A 115 1.512 -2.931 -10.943 1.00 0.00 C ATOM 1742 C ARG A 115 1.510 -2.995 -9.420 1.00 0.00 C ATOM 1743 O ARG A 115 0.931 -3.901 -8.815 1.00 0.00 O ATOM 1744 CB ARG A 115 0.212 -3.500 -11.517 1.00 0.00 C ATOM 1745 CG ARG A 115 0.033 -3.208 -13.000 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.180 -3.918 -13.583 1.00 0.00 C ATOM 1747 NE ARG A 115 -2.428 -3.543 -12.919 1.00 0.00 N ATOM 1748 CZ ARG A 115 -3.510 -3.098 -13.560 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -3.491 -2.935 -14.877 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -4.613 -2.818 -12.882 1.00 0.00 N ATOM 0 H ARG A 115 2.448 -4.526 -11.929 1.00 0.00 H new ATOM 0 HA ARG A 115 1.579 -1.884 -11.239 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.195 -4.579 -11.361 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.633 -3.085 -10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.072 -2.133 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.928 -3.518 -13.540 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.255 -3.687 -14.646 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.039 -4.996 -13.501 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.474 -3.627 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.646 -3.150 -15.405 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.322 -2.594 -15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.635 -2.943 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.440 -2.478 -13.372 1.00 0.00 H new ATOM 1764 N VAL A 116 2.199 -2.049 -8.811 1.00 0.00 N ATOM 1765 CA VAL A 116 2.308 -1.987 -7.366 1.00 0.00 C ATOM 1766 C VAL A 116 1.281 -1.018 -6.791 1.00 0.00 C ATOM 1767 O VAL A 116 1.069 0.072 -7.324 1.00 0.00 O ATOM 1768 CB VAL A 116 3.739 -1.581 -6.925 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.159 -0.265 -7.567 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.840 -1.493 -5.408 1.00 0.00 C ATOM 0 H VAL A 116 2.697 -1.305 -9.301 1.00 0.00 H new ATOM 0 HA VAL A 116 2.105 -2.984 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 116 4.422 -2.358 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.166 -0.006 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.145 -0.369 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.467 0.522 -7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.853 -1.207 -5.127 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.137 -0.747 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.602 -2.463 -4.971 1.00 0.00 H new ATOM 1780 N ALA A 117 0.619 -1.442 -5.731 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.321 -0.595 -5.027 1.00 0.00 C ATOM 1782 C ALA A 117 0.275 -0.164 -3.698 1.00 0.00 C ATOM 1783 O ALA A 117 0.451 -0.982 -2.793 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.641 -1.319 -4.811 1.00 0.00 C ATOM 0 H ALA A 117 0.718 -2.378 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.519 0.290 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.332 -0.664 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.068 -1.592 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.470 -2.220 -4.222 1.00 0.00 H new ATOM 1790 N LEU A 118 0.616 1.106 -3.596 1.00 0.00 N ATOM 1791 CA LEU A 118 1.192 1.634 -2.375 1.00 0.00 C ATOM 1792 C LEU A 118 0.091 2.119 -1.442 1.00 0.00 C ATOM 1793 O LEU A 118 -0.454 3.210 -1.619 1.00 0.00 O ATOM 1794 CB LEU A 118 2.166 2.775 -2.689 1.00 0.00 C ATOM 1795 CG LEU A 118 2.911 3.351 -1.481 1.00 0.00 C ATOM 1796 CD1 LEU A 118 3.794 2.292 -0.838 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.738 4.559 -1.893 1.00 0.00 C ATOM 0 H LEU A 118 0.504 1.791 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 118 1.746 0.837 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.900 2.416 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.613 3.581 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 118 2.174 3.672 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.314 2.722 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.177 1.457 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.524 1.937 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.261 4.956 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.465 4.262 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.082 5.326 -2.303 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.254 1.286 -0.472 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.221 1.657 0.543 1.00 0.00 C ATOM 1811 C ALA A 119 -0.495 2.337 1.690 1.00 0.00 C ATOM 1812 O ALA A 119 0.002 1.683 2.609 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.990 0.436 1.031 1.00 0.00 C ATOM 0 H ALA A 119 0.125 0.345 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.947 2.349 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.709 0.739 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.518 -0.020 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.294 -0.286 1.457 1.00 0.00 H new ATOM 1819 N MET A 120 -0.402 3.650 1.609 1.00 0.00 N ATOM 1820 CA MET A 120 0.409 4.407 2.541 1.00 0.00 C ATOM 1821 C MET A 120 -0.449 4.969 3.661 1.00 0.00 C ATOM 1822 O MET A 120 -1.229 5.902 3.453 1.00 0.00 O ATOM 1823 CB MET A 120 1.121 5.538 1.805 1.00 0.00 C ATOM 1824 CG MET A 120 2.490 5.882 2.368 1.00 0.00 C ATOM 1825 SD MET A 120 3.684 4.553 2.124 1.00 0.00 S ATOM 1826 CE MET A 120 5.202 5.377 2.585 1.00 0.00 C ATOM 0 H MET A 120 -0.879 4.215 0.906 1.00 0.00 H new ATOM 0 HA MET A 120 1.153 3.742 2.980 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.231 5.262 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.493 6.429 1.836 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.858 6.790 1.892 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.399 6.095 3.433 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.998 4.640 2.693 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.475 6.095 1.812 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.060 5.899 3.531 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.319 4.382 4.838 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.054 4.831 6.004 1.00 0.00 C ATOM 1838 C ILE A 121 -0.172 5.732 6.859 1.00 0.00 C ATOM 1839 O ILE A 121 0.966 5.382 7.180 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.556 3.638 6.848 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.444 2.718 6.002 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.312 4.131 8.074 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.935 1.495 6.748 1.00 0.00 C ATOM 0 H ILE A 121 0.295 3.586 5.010 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.923 5.391 5.658 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.691 3.067 7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.304 3.285 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.886 2.397 5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.658 3.277 8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.651 4.744 8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.169 4.726 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.557 0.891 6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.081 0.905 7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.521 1.807 7.613 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.699 6.895 7.207 1.00 0.00 N ATOM 1856 CA VAL A 122 0.028 7.867 8.006 1.00 0.00 C ATOM 1857 C VAL A 122 -0.839 8.365 9.158 1.00 0.00 C ATOM 1858 O VAL A 122 -1.894 8.952 8.945 1.00 0.00 O ATOM 1859 CB VAL A 122 0.505 9.065 7.153 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.860 8.774 6.533 1.00 0.00 C ATOM 1861 CG2 VAL A 122 -0.503 9.387 6.060 1.00 0.00 C ATOM 0 H VAL A 122 -1.639 7.191 6.944 1.00 0.00 H new ATOM 0 HA VAL A 122 0.909 7.366 8.407 1.00 0.00 H new ATOM 0 HB VAL A 122 0.595 9.929 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.178 9.629 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 122 2.589 8.590 7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.787 7.894 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.146 10.233 5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.624 8.520 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.462 9.639 6.512 1.00 0.00 H new ATOM 1871 N GLY A 123 -0.389 8.114 10.378 1.00 0.00 N ATOM 1872 CA GLY A 123 -1.175 8.468 11.546 1.00 0.00 C ATOM 1873 C GLY A 123 -1.175 9.957 11.834 1.00 0.00 C ATOM 1874 O GLY A 123 -2.087 10.467 12.487 1.00 0.00 O ATOM 0 H GLY A 123 0.507 7.671 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.202 8.132 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -0.785 7.936 12.414 1.00 0.00 H new