USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=22 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 97 MET CE :methyl -151:sc= -0.671 (180deg=-1.41) USER MOD Set 1.2: A 105 THR OG1 : rot 74:sc= 0.0468 USER MOD Single : A 21 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0704 K(o=-0.07,f=-2!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0127 F(o=-1.1,f=-0.013) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0364 F(o=-1.1,f=-0.036) USER MOD Single : A 32 SER OG : rot 176:sc= 1.31 USER MOD Single : A 36 MET CE :methyl 150:sc= 0 (180deg=-0.273) USER MOD Single : A 43 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.2 K(o=-0.2,f=-7.4!) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0165 F(o=-1.2,f=-0.017) USER MOD Single : A 56 HIS : no HE2:sc= 0.295 K(o=0.29,f=-2.3!) USER MOD Single : A 57 MET CE :methyl 149:sc= -0.074 (180deg=-0.345) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.46 F(o=-2.3!,f=-1.5) USER MOD Single : A 72 THR OG1 : rot 114:sc= 0.751 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0804 F(o=-1.6!,f=-0.08) USER MOD Single : A 77 GLN : amide:sc= 0.659 K(o=0.66,f=-0.11) USER MOD Single : A 80 SER OG : rot -91:sc= 0.0358 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 87 CYS SG : rot -56:sc= -1.11 USER MOD Single : A 89 THR OG1 : rot -94:sc= 1.24 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 99 ASN : amide:sc= -0.861 K(o=-0.86,f=-4.6!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 111 SER OG : rot 11:sc= 1.19 USER MOD Single : A 120 MET CE :methyl 150:sc= -1.49 (180deg=-2.25!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.528 12.610 -2.144 1.00 0.00 N ATOM 229 CA ARG A 15 10.971 12.672 -1.939 1.00 0.00 C ATOM 230 C ARG A 15 11.322 12.724 -0.458 1.00 0.00 C ATOM 231 O ARG A 15 12.492 12.870 -0.096 1.00 0.00 O ATOM 232 CB ARG A 15 11.557 13.904 -2.630 1.00 0.00 C ATOM 233 CG ARG A 15 11.314 13.961 -4.129 1.00 0.00 C ATOM 234 CD ARG A 15 11.987 15.181 -4.736 1.00 0.00 C ATOM 235 NE ARG A 15 11.758 15.292 -6.176 1.00 0.00 N ATOM 236 CZ ARG A 15 12.730 15.248 -7.090 1.00 0.00 C ATOM 237 NH1 ARG A 15 13.990 15.031 -6.723 1.00 0.00 N ATOM 238 NH2 ARG A 15 12.444 15.413 -8.375 1.00 0.00 N ATOM 0 HA ARG A 15 11.397 11.767 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.134 14.798 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.631 13.931 -2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.698 13.056 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.243 13.994 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.616 16.079 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.059 15.133 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 15 10.799 15.410 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.218 14.897 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.728 14.999 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.480 15.574 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.188 15.379 -9.072 1.00 0.00 H new ATOM 252 N ALA A 16 10.319 12.608 0.397 1.00 0.00 N ATOM 253 CA ALA A 16 10.535 12.741 1.828 1.00 0.00 C ATOM 254 C ALA A 16 9.607 11.830 2.618 1.00 0.00 C ATOM 255 O ALA A 16 8.390 11.830 2.409 1.00 0.00 O ATOM 256 CB ALA A 16 10.343 14.186 2.255 1.00 0.00 C ATOM 0 H ALA A 16 9.353 12.423 0.127 1.00 0.00 H new ATOM 0 HA ALA A 16 11.560 12.439 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.507 14.273 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.055 14.819 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.328 14.504 2.016 1.00 0.00 H new ATOM 262 N ALA A 17 10.196 11.058 3.520 1.00 0.00 N ATOM 263 CA ALA A 17 9.449 10.156 4.385 1.00 0.00 C ATOM 264 C ALA A 17 9.819 10.399 5.845 1.00 0.00 C ATOM 265 O ALA A 17 10.983 10.273 6.231 1.00 0.00 O ATOM 266 CB ALA A 17 9.723 8.710 3.997 1.00 0.00 C ATOM 0 H ALA A 17 11.204 11.039 3.673 1.00 0.00 H new ATOM 0 HA ALA A 17 8.384 10.351 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.159 8.045 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.419 8.547 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.788 8.502 4.099 1.00 0.00 H new ATOM 272 N ASP A 18 8.831 10.763 6.652 1.00 0.00 N ATOM 273 CA ASP A 18 9.074 11.078 8.057 1.00 0.00 C ATOM 274 C ASP A 18 8.335 10.118 8.977 1.00 0.00 C ATOM 275 O ASP A 18 8.320 10.299 10.196 1.00 0.00 O ATOM 276 CB ASP A 18 8.649 12.515 8.367 1.00 0.00 C ATOM 277 CG ASP A 18 9.534 13.545 7.697 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.580 13.903 8.277 1.00 0.00 O ATOM 279 OD2 ASP A 18 9.184 14.011 6.595 1.00 0.00 O ATOM 0 H ASP A 18 7.857 10.848 6.361 1.00 0.00 H new ATOM 0 HA ASP A 18 10.144 10.972 8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.619 12.662 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.670 12.671 9.446 1.00 0.00 H new ATOM 284 N GLY A 19 7.715 9.103 8.398 1.00 0.00 N ATOM 285 CA GLY A 19 6.985 8.137 9.192 1.00 0.00 C ATOM 286 C GLY A 19 5.589 8.616 9.536 1.00 0.00 C ATOM 287 O GLY A 19 4.605 7.961 9.204 1.00 0.00 O ATOM 0 H GLY A 19 7.704 8.930 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.920 7.196 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.535 7.935 10.111 1.00 0.00 H new ATOM 291 N ARG A 20 5.502 9.769 10.191 1.00 0.00 N ATOM 292 CA ARG A 20 4.212 10.323 10.584 1.00 0.00 C ATOM 293 C ARG A 20 3.592 11.135 9.453 1.00 0.00 C ATOM 294 O ARG A 20 2.427 11.509 9.522 1.00 0.00 O ATOM 295 CB ARG A 20 4.327 11.191 11.846 1.00 0.00 C ATOM 296 CG ARG A 20 4.661 10.406 13.107 1.00 0.00 C ATOM 297 CD ARG A 20 6.160 10.302 13.331 1.00 0.00 C ATOM 298 NE ARG A 20 6.738 11.580 13.742 1.00 0.00 N ATOM 299 CZ ARG A 20 8.048 11.824 13.808 1.00 0.00 C ATOM 300 NH1 ARG A 20 8.923 10.900 13.436 1.00 0.00 N ATOM 301 NH2 ARG A 20 8.478 13.002 14.241 1.00 0.00 N ATOM 0 H ARG A 20 6.306 10.336 10.460 1.00 0.00 H new ATOM 0 HA ARG A 20 3.561 9.478 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.096 11.947 11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.386 11.720 11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.198 10.888 13.968 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.235 9.405 13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.362 9.550 14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.642 9.963 12.414 1.00 0.00 H new ATOM 0 HE ARG A 20 6.099 12.334 13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.596 9.995 13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.923 11.094 13.489 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.808 13.718 14.522 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.479 13.192 14.293 1.00 0.00 H new ATOM 315 N HIS A 21 4.373 11.405 8.415 1.00 0.00 N ATOM 316 CA HIS A 21 3.873 12.133 7.253 1.00 0.00 C ATOM 317 C HIS A 21 4.827 11.980 6.078 1.00 0.00 C ATOM 318 O HIS A 21 5.995 11.634 6.263 1.00 0.00 O ATOM 319 CB HIS A 21 3.648 13.625 7.572 1.00 0.00 C ATOM 320 CG HIS A 21 4.879 14.390 7.973 1.00 0.00 C ATOM 321 ND1 HIS A 21 5.089 14.855 9.256 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.942 14.810 7.246 1.00 0.00 C ATOM 323 CE1 HIS A 21 6.226 15.530 9.295 1.00 0.00 C ATOM 324 NE2 HIS A 21 6.760 15.513 8.090 1.00 0.00 N ATOM 0 H HIS A 21 5.354 11.132 8.353 1.00 0.00 H new ATOM 0 HA HIS A 21 2.909 11.702 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.212 14.105 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.915 13.701 8.375 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.113 14.625 6.196 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.645 16.013 10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.642 15.953 7.828 1.00 0.00 H new ATOM 333 N ALA A 22 4.325 12.233 4.881 1.00 0.00 N ATOM 334 CA ALA A 22 5.133 12.153 3.674 1.00 0.00 C ATOM 335 C ALA A 22 4.905 13.384 2.807 1.00 0.00 C ATOM 336 O ALA A 22 3.811 13.952 2.802 1.00 0.00 O ATOM 337 CB ALA A 22 4.802 10.884 2.902 1.00 0.00 C ATOM 0 H ALA A 22 3.354 12.498 4.718 1.00 0.00 H new ATOM 0 HA ALA A 22 6.185 12.119 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.414 10.836 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.007 10.014 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.748 10.891 2.625 1.00 0.00 H new ATOM 343 N LYS A 23 5.937 13.803 2.089 1.00 0.00 N ATOM 344 CA LYS A 23 5.835 14.981 1.239 1.00 0.00 C ATOM 345 C LYS A 23 5.494 14.605 -0.193 1.00 0.00 C ATOM 346 O LYS A 23 6.309 14.016 -0.909 1.00 0.00 O ATOM 347 CB LYS A 23 7.130 15.790 1.243 1.00 0.00 C ATOM 348 CG LYS A 23 7.432 16.487 2.555 1.00 0.00 C ATOM 349 CD LYS A 23 8.586 17.454 2.381 1.00 0.00 C ATOM 350 CE LYS A 23 8.947 18.163 3.673 1.00 0.00 C ATOM 351 NZ LYS A 23 10.014 19.173 3.450 1.00 0.00 N ATOM 0 H LYS A 23 6.850 13.348 2.077 1.00 0.00 H new ATOM 0 HA LYS A 23 5.031 15.591 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.959 15.126 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.079 16.538 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.548 17.023 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.678 15.749 3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.457 16.913 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.325 18.194 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.062 18.649 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.281 17.433 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.241 19.642 4.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.865 18.703 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.684 19.881 2.764 1.00 0.00 H new ATOM 365 N VAL A 24 4.290 14.951 -0.607 1.00 0.00 N ATOM 366 CA VAL A 24 3.884 14.777 -1.985 1.00 0.00 C ATOM 367 C VAL A 24 4.089 16.086 -2.733 1.00 0.00 C ATOM 368 O VAL A 24 3.236 16.976 -2.698 1.00 0.00 O ATOM 369 CB VAL A 24 2.410 14.327 -2.102 1.00 0.00 C ATOM 370 CG1 VAL A 24 2.029 14.090 -3.556 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.174 13.074 -1.274 1.00 0.00 C ATOM 0 H VAL A 24 3.574 15.356 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 24 4.498 13.991 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 24 1.776 15.124 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.987 13.774 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.160 15.013 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.667 13.313 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.132 12.768 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.820 12.273 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.401 13.281 -0.228 1.00 0.00 H new ATOM 381 N ASN A 25 5.262 16.208 -3.350 1.00 0.00 N ATOM 382 CA ASN A 25 5.650 17.402 -4.103 1.00 0.00 C ATOM 383 C ASN A 25 5.845 18.594 -3.177 1.00 0.00 C ATOM 384 O ASN A 25 6.942 18.835 -2.674 1.00 0.00 O ATOM 385 CB ASN A 25 4.616 17.758 -5.185 1.00 0.00 C ATOM 386 CG ASN A 25 4.541 16.739 -6.301 1.00 0.00 C ATOM 387 OD1 ASN A 25 4.785 15.549 -6.096 1.00 0.00 O ATOM 388 ND2 ASN A 25 4.197 17.199 -7.492 1.00 0.00 N ATOM 0 H ASN A 25 5.975 15.479 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 25 6.595 17.169 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.634 17.852 -4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.864 18.732 -5.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.125 16.560 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.003 18.192 -7.619 1.00 0.00 H new ATOM 395 N GLU A 26 4.767 19.318 -2.943 1.00 0.00 N ATOM 396 CA GLU A 26 4.809 20.528 -2.146 1.00 0.00 C ATOM 397 C GLU A 26 3.754 20.471 -1.051 1.00 0.00 C ATOM 398 O GLU A 26 3.538 21.440 -0.324 1.00 0.00 O ATOM 399 CB GLU A 26 4.578 21.736 -3.055 1.00 0.00 C ATOM 400 CG GLU A 26 5.624 21.865 -4.152 1.00 0.00 C ATOM 401 CD GLU A 26 5.188 22.780 -5.276 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.283 24.013 -5.111 1.00 0.00 O ATOM 403 OE2 GLU A 26 4.750 22.266 -6.327 1.00 0.00 O ATOM 0 H GLU A 26 3.840 19.084 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 26 5.786 20.620 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.591 21.657 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.579 22.643 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.551 22.243 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.841 20.877 -4.558 1.00 0.00 H new ATOM 410 N GLN A 27 3.105 19.321 -0.932 1.00 0.00 N ATOM 411 CA GLN A 27 2.054 19.136 0.054 1.00 0.00 C ATOM 412 C GLN A 27 2.413 18.004 1.004 1.00 0.00 C ATOM 413 O GLN A 27 2.774 16.909 0.574 1.00 0.00 O ATOM 414 CB GLN A 27 0.725 18.833 -0.638 1.00 0.00 C ATOM 415 CG GLN A 27 0.273 19.927 -1.594 1.00 0.00 C ATOM 416 CD GLN A 27 -1.006 19.578 -2.330 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.222 18.296 -2.578 1.00 0.00 O flip ATOM 418 NE2 GLN A 27 -1.790 20.457 -2.683 1.00 0.00 N flip ATOM 0 H GLN A 27 3.290 18.501 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 27 1.952 20.058 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.817 17.896 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.044 18.684 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.124 20.851 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.063 20.117 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.588 21.435 -2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.642 20.209 -3.186 1.00 0.00 H new ATOM 427 N ILE A 28 2.320 18.276 2.292 1.00 0.00 N ATOM 428 CA ILE A 28 2.627 17.281 3.305 1.00 0.00 C ATOM 429 C ILE A 28 1.366 16.518 3.689 1.00 0.00 C ATOM 430 O ILE A 28 0.438 17.084 4.266 1.00 0.00 O ATOM 431 CB ILE A 28 3.244 17.931 4.561 1.00 0.00 C ATOM 432 CG1 ILE A 28 4.518 18.700 4.189 1.00 0.00 C ATOM 433 CG2 ILE A 28 3.545 16.874 5.616 1.00 0.00 C ATOM 434 CD1 ILE A 28 5.156 19.426 5.354 1.00 0.00 C ATOM 0 H ILE A 28 2.033 19.181 2.664 1.00 0.00 H new ATOM 0 HA ILE A 28 3.357 16.590 2.884 1.00 0.00 H new ATOM 0 HB ILE A 28 2.524 18.635 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.242 18.003 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.280 19.423 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.980 17.350 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.622 16.367 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.249 16.147 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.051 19.946 5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.450 20.149 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.427 18.707 6.127 1.00 0.00 H new ATOM 446 N LEU A 29 1.331 15.240 3.357 1.00 0.00 N ATOM 447 CA LEU A 29 0.175 14.411 3.653 1.00 0.00 C ATOM 448 C LEU A 29 0.461 13.479 4.820 1.00 0.00 C ATOM 449 O LEU A 29 1.533 12.879 4.904 1.00 0.00 O ATOM 450 CB LEU A 29 -0.239 13.594 2.425 1.00 0.00 C ATOM 451 CG LEU A 29 -0.801 14.405 1.254 1.00 0.00 C ATOM 452 CD1 LEU A 29 -1.171 13.487 0.100 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.015 15.210 1.695 1.00 0.00 C ATOM 0 H LEU A 29 2.090 14.753 2.882 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.646 15.074 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.627 13.034 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.988 12.864 2.731 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.030 15.097 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.569 14.080 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.284 12.949 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.925 12.773 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.400 15.780 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.788 14.533 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.727 15.895 2.493 1.00 0.00 H new ATOM 465 N GLN A 30 -0.502 13.375 5.723 1.00 0.00 N ATOM 466 CA GLN A 30 -0.397 12.479 6.862 1.00 0.00 C ATOM 467 C GLN A 30 -1.724 11.757 7.080 1.00 0.00 C ATOM 468 O GLN A 30 -2.290 11.760 8.172 1.00 0.00 O ATOM 469 CB GLN A 30 0.039 13.244 8.118 1.00 0.00 C ATOM 470 CG GLN A 30 -0.833 14.439 8.466 1.00 0.00 C ATOM 471 CD GLN A 30 -0.299 15.202 9.662 1.00 0.00 C ATOM 472 OE1 GLN A 30 0.339 14.631 10.548 1.00 0.00 O ATOM 473 NE2 GLN A 30 -0.550 16.501 9.695 1.00 0.00 N ATOM 0 H GLN A 30 -1.372 13.906 5.687 1.00 0.00 H new ATOM 0 HA GLN A 30 0.368 11.731 6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.043 12.556 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.065 13.587 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.892 15.107 7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.847 14.099 8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.082 16.937 8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.211 17.066 10.474 1.00 0.00 H new ATOM 482 N GLN A 31 -2.214 11.144 6.013 1.00 0.00 N ATOM 483 CA GLN A 31 -3.473 10.414 6.043 1.00 0.00 C ATOM 484 C GLN A 31 -3.295 9.049 5.390 1.00 0.00 C ATOM 485 O GLN A 31 -2.174 8.645 5.080 1.00 0.00 O ATOM 486 CB GLN A 31 -4.564 11.199 5.301 1.00 0.00 C ATOM 487 CG GLN A 31 -4.903 12.543 5.930 1.00 0.00 C ATOM 488 CD GLN A 31 -5.579 12.413 7.285 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.354 11.354 7.468 1.00 0.00 O flip ATOM 490 NE2 GLN A 31 -5.419 13.267 8.155 1.00 0.00 N flip ATOM 0 H GLN A 31 -1.752 11.138 5.104 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.775 10.284 7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.242 11.363 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.468 10.592 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.989 13.126 6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.556 13.098 5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.814 14.069 7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.891 13.173 9.054 1.00 0.00 H new ATOM 499 N SER A 32 -4.397 8.347 5.182 1.00 0.00 N ATOM 500 CA SER A 32 -4.367 7.069 4.492 1.00 0.00 C ATOM 501 C SER A 32 -4.712 7.264 3.019 1.00 0.00 C ATOM 502 O SER A 32 -5.778 7.786 2.689 1.00 0.00 O ATOM 503 CB SER A 32 -5.359 6.102 5.135 1.00 0.00 C ATOM 504 OG SER A 32 -5.147 6.006 6.536 1.00 0.00 O ATOM 0 H SER A 32 -5.326 8.642 5.482 1.00 0.00 H new ATOM 0 HA SER A 32 -3.364 6.650 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.377 6.439 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.257 5.116 4.681 1.00 0.00 H new ATOM 0 HG SER A 32 -5.834 5.430 6.932 1.00 0.00 H new ATOM 510 N PHE A 33 -3.805 6.866 2.140 1.00 0.00 N ATOM 511 CA PHE A 33 -4.026 7.009 0.709 1.00 0.00 C ATOM 512 C PHE A 33 -3.284 5.932 -0.075 1.00 0.00 C ATOM 513 O PHE A 33 -2.228 5.453 0.346 1.00 0.00 O ATOM 514 CB PHE A 33 -3.602 8.407 0.227 1.00 0.00 C ATOM 515 CG PHE A 33 -2.160 8.752 0.496 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.787 9.351 1.690 1.00 0.00 C ATOM 517 CD2 PHE A 33 -1.181 8.488 -0.449 1.00 0.00 C ATOM 518 CE1 PHE A 33 -0.465 9.676 1.935 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.140 8.808 -0.209 1.00 0.00 C ATOM 520 CZ PHE A 33 0.499 9.405 0.984 1.00 0.00 C ATOM 0 H PHE A 33 -2.912 6.443 2.391 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.094 6.887 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.785 8.478 -0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.236 9.151 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.537 9.566 2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.456 8.026 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.187 10.141 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.892 8.592 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.532 9.659 1.173 1.00 0.00 H new ATOM 530 N ILE A 34 -3.851 5.551 -1.207 1.00 0.00 N ATOM 531 CA ILE A 34 -3.230 4.579 -2.088 1.00 0.00 C ATOM 532 C ILE A 34 -2.535 5.297 -3.236 1.00 0.00 C ATOM 533 O ILE A 34 -3.180 5.991 -4.025 1.00 0.00 O ATOM 534 CB ILE A 34 -4.267 3.590 -2.665 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.066 2.935 -1.535 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.575 2.528 -3.516 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.197 2.057 -2.024 1.00 0.00 C ATOM 0 H ILE A 34 -4.748 5.904 -1.539 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.506 4.014 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.958 4.144 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.391 2.337 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.474 3.714 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.320 1.839 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.047 3.009 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.863 1.977 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.719 1.626 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.894 2.655 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.794 1.256 -2.644 1.00 0.00 H new ATOM 549 N LEU A 35 -1.228 5.137 -3.323 1.00 0.00 N ATOM 550 CA LEU A 35 -0.446 5.810 -4.344 1.00 0.00 C ATOM 551 C LEU A 35 -0.032 4.832 -5.435 1.00 0.00 C ATOM 552 O LEU A 35 0.543 3.776 -5.151 1.00 0.00 O ATOM 553 CB LEU A 35 0.788 6.470 -3.727 1.00 0.00 C ATOM 554 CG LEU A 35 1.680 7.241 -4.706 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.898 8.352 -5.391 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.890 7.812 -3.984 1.00 0.00 C ATOM 0 H LEU A 35 -0.683 4.544 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.067 6.585 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.460 7.154 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.389 5.699 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 35 2.026 6.546 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.552 8.885 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.062 7.922 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.519 9.046 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.513 8.357 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.558 8.490 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.467 7.000 -3.543 1.00 0.00 H new ATOM 568 N MET A 36 -0.355 5.178 -6.668 1.00 0.00 N ATOM 569 CA MET A 36 0.033 4.391 -7.826 1.00 0.00 C ATOM 570 C MET A 36 0.534 5.319 -8.919 1.00 0.00 C ATOM 571 O MET A 36 0.166 6.492 -8.955 1.00 0.00 O ATOM 572 CB MET A 36 -1.158 3.586 -8.364 1.00 0.00 C ATOM 573 CG MET A 36 -1.670 2.507 -7.425 1.00 0.00 C ATOM 574 SD MET A 36 -3.090 1.628 -8.110 1.00 0.00 S ATOM 575 CE MET A 36 -3.433 0.452 -6.805 1.00 0.00 C ATOM 0 H MET A 36 -0.894 6.013 -6.896 1.00 0.00 H new ATOM 0 HA MET A 36 0.819 3.699 -7.525 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.974 4.274 -8.585 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.869 3.121 -9.307 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.869 1.797 -7.219 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.949 2.958 -6.473 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.499 0.225 -6.790 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.870 -0.464 -6.983 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.139 0.877 -5.845 1.00 0.00 H new ATOM 585 N PRO A 37 1.378 4.819 -9.830 1.00 0.00 N ATOM 586 CA PRO A 37 1.790 5.581 -11.009 1.00 0.00 C ATOM 587 C PRO A 37 0.617 5.786 -11.966 1.00 0.00 C ATOM 588 O PRO A 37 0.659 6.639 -12.855 1.00 0.00 O ATOM 589 CB PRO A 37 2.871 4.705 -11.651 1.00 0.00 C ATOM 590 CG PRO A 37 2.607 3.327 -11.144 1.00 0.00 C ATOM 591 CD PRO A 37 2.014 3.491 -9.772 1.00 0.00 C ATOM 0 HA PRO A 37 2.148 6.580 -10.759 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.814 4.742 -12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.869 5.043 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.921 2.794 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.527 2.744 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.289 2.708 -9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.778 3.445 -8.996 1.00 0.00 H new ATOM 599 N ASP A 38 -0.432 4.995 -11.760 1.00 0.00 N ATOM 600 CA ASP A 38 -1.645 5.074 -12.563 1.00 0.00 C ATOM 601 C ASP A 38 -2.534 6.221 -12.088 1.00 0.00 C ATOM 602 O ASP A 38 -3.063 6.982 -12.898 1.00 0.00 O ATOM 603 CB ASP A 38 -2.426 3.755 -12.486 1.00 0.00 C ATOM 604 CG ASP A 38 -1.664 2.583 -13.077 1.00 0.00 C ATOM 605 OD1 ASP A 38 -0.661 2.149 -12.470 1.00 0.00 O ATOM 606 OD2 ASP A 38 -2.055 2.092 -14.158 1.00 0.00 O ATOM 0 H ASP A 38 -0.464 4.282 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.352 5.258 -13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.664 3.539 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.374 3.868 -13.012 1.00 0.00 H new ATOM 611 N GLU A 39 -2.692 6.337 -10.772 1.00 0.00 N ATOM 612 CA GLU A 39 -3.539 7.369 -10.182 1.00 0.00 C ATOM 613 C GLU A 39 -3.321 7.451 -8.674 1.00 0.00 C ATOM 614 O GLU A 39 -2.601 6.638 -8.095 1.00 0.00 O ATOM 615 CB GLU A 39 -5.019 7.086 -10.464 1.00 0.00 C ATOM 616 CG GLU A 39 -5.530 5.808 -9.817 1.00 0.00 C ATOM 617 CD GLU A 39 -7.009 5.595 -10.044 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.373 4.960 -11.054 1.00 0.00 O ATOM 619 OE2 GLU A 39 -7.818 6.062 -9.216 1.00 0.00 O ATOM 0 H GLU A 39 -2.242 5.725 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.264 8.321 -10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.615 7.926 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.169 7.022 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.978 4.957 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.331 5.843 -8.746 1.00 0.00 H new ATOM 626 N LEU A 40 -3.958 8.427 -8.047 1.00 0.00 N ATOM 627 CA LEU A 40 -3.891 8.590 -6.603 1.00 0.00 C ATOM 628 C LEU A 40 -5.273 8.396 -5.992 1.00 0.00 C ATOM 629 O LEU A 40 -6.248 9.005 -6.435 1.00 0.00 O ATOM 630 CB LEU A 40 -3.347 9.978 -6.244 1.00 0.00 C ATOM 631 CG LEU A 40 -3.367 10.330 -4.752 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.487 9.381 -3.955 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.925 11.770 -4.541 1.00 0.00 C ATOM 0 H LEU A 40 -4.532 9.124 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.214 7.837 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.320 10.050 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.927 10.727 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.390 10.222 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.520 9.654 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.849 8.360 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.460 9.448 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.945 12.004 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.912 11.899 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.601 12.440 -5.073 1.00 0.00 H new ATOM 645 N VAL A 41 -5.358 7.528 -4.996 1.00 0.00 N ATOM 646 CA VAL A 41 -6.604 7.309 -4.280 1.00 0.00 C ATOM 647 C VAL A 41 -6.461 7.793 -2.844 1.00 0.00 C ATOM 648 O VAL A 41 -6.007 7.053 -1.972 1.00 0.00 O ATOM 649 CB VAL A 41 -7.023 5.821 -4.276 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.387 5.648 -3.617 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.032 5.259 -5.689 1.00 0.00 C ATOM 0 H VAL A 41 -4.576 6.963 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.380 7.873 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.290 5.262 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.664 4.594 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.342 6.004 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.132 6.222 -4.167 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.330 4.211 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.739 5.821 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.034 5.342 -6.120 1.00 0.00 H new ATOM 661 N GLU A 42 -6.813 9.049 -2.612 1.00 0.00 N ATOM 662 CA GLU A 42 -6.696 9.640 -1.287 1.00 0.00 C ATOM 663 C GLU A 42 -7.981 9.424 -0.497 1.00 0.00 C ATOM 664 O GLU A 42 -7.993 9.493 0.730 1.00 0.00 O ATOM 665 CB GLU A 42 -6.372 11.138 -1.383 1.00 0.00 C ATOM 666 CG GLU A 42 -7.542 12.022 -1.797 1.00 0.00 C ATOM 667 CD GLU A 42 -7.999 11.807 -3.229 1.00 0.00 C ATOM 668 OE1 GLU A 42 -8.706 10.805 -3.495 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.675 12.648 -4.083 1.00 0.00 O ATOM 0 H GLU A 42 -7.182 9.679 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.876 9.148 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.003 11.478 -0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.561 11.274 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.381 11.835 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.258 13.067 -1.669 1.00 0.00 H new ATOM 676 N HIS A 43 -9.065 9.164 -1.214 1.00 0.00 N ATOM 677 CA HIS A 43 -10.350 8.882 -0.592 1.00 0.00 C ATOM 678 C HIS A 43 -10.424 7.424 -0.154 1.00 0.00 C ATOM 679 O HIS A 43 -11.280 6.670 -0.616 1.00 0.00 O ATOM 680 CB HIS A 43 -11.497 9.200 -1.555 1.00 0.00 C ATOM 681 CG HIS A 43 -11.791 10.662 -1.704 1.00 0.00 C ATOM 682 ND1 HIS A 43 -11.145 11.477 -2.606 1.00 0.00 N ATOM 683 CD2 HIS A 43 -12.693 11.451 -1.070 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.636 12.701 -2.523 1.00 0.00 C ATOM 685 NE2 HIS A 43 -12.577 12.712 -1.599 1.00 0.00 N ATOM 0 H HIS A 43 -9.079 9.143 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.448 9.517 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.257 8.788 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.398 8.694 -1.208 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -10.403 11.182 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.377 11.144 -0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.320 13.549 -3.112 1.00 0.00 H new ATOM 694 N TRP A 44 -9.515 7.034 0.726 1.00 0.00 N ATOM 695 CA TRP A 44 -9.472 5.676 1.237 1.00 0.00 C ATOM 696 C TRP A 44 -9.626 5.697 2.756 1.00 0.00 C ATOM 697 O TRP A 44 -8.659 5.913 3.488 1.00 0.00 O ATOM 698 CB TRP A 44 -8.160 5.003 0.825 1.00 0.00 C ATOM 699 CG TRP A 44 -8.133 3.523 1.058 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.074 2.614 0.663 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.104 2.775 1.717 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.698 1.350 1.047 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.490 1.422 1.693 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.893 3.119 2.326 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.710 0.413 2.254 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.121 2.117 2.883 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.532 0.780 2.842 1.00 0.00 C ATOM 0 H TRP A 44 -8.792 7.646 1.103 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.294 5.099 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.981 5.197 -0.233 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.340 5.462 1.377 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.980 2.854 0.127 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.231 0.496 0.879 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.567 4.148 2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.024 -0.620 2.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.185 2.370 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.904 0.021 3.285 1.00 0.00 H new ATOM 718 N PRO A 45 -10.861 5.503 3.246 1.00 0.00 N ATOM 719 CA PRO A 45 -11.175 5.614 4.671 1.00 0.00 C ATOM 720 C PRO A 45 -10.720 4.402 5.480 1.00 0.00 C ATOM 721 O PRO A 45 -11.529 3.552 5.861 1.00 0.00 O ATOM 722 CB PRO A 45 -12.699 5.728 4.681 1.00 0.00 C ATOM 723 CG PRO A 45 -13.139 4.985 3.469 1.00 0.00 C ATOM 724 CD PRO A 45 -12.051 5.163 2.443 1.00 0.00 C ATOM 0 HA PRO A 45 -10.662 6.457 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.123 5.295 5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.019 6.769 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.291 3.930 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.089 5.372 3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.896 4.253 1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.295 5.955 1.735 1.00 0.00 H new ATOM 732 N VAL A 46 -9.420 4.313 5.717 1.00 0.00 N ATOM 733 CA VAL A 46 -8.868 3.272 6.574 1.00 0.00 C ATOM 734 C VAL A 46 -7.907 3.875 7.598 1.00 0.00 C ATOM 735 O VAL A 46 -6.704 3.982 7.356 1.00 0.00 O ATOM 736 CB VAL A 46 -8.146 2.173 5.760 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.520 1.136 6.682 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.114 1.504 4.796 1.00 0.00 C ATOM 0 H VAL A 46 -8.725 4.950 5.327 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.706 2.806 7.093 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.349 2.646 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.018 0.374 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.795 1.621 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.298 0.670 7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.590 0.733 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.931 1.050 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.515 2.248 4.108 1.00 0.00 H new ATOM 748 N PRO A 47 -8.439 4.330 8.740 1.00 0.00 N ATOM 749 CA PRO A 47 -7.634 4.873 9.826 1.00 0.00 C ATOM 750 C PRO A 47 -6.984 3.770 10.656 1.00 0.00 C ATOM 751 O PRO A 47 -7.553 3.307 11.647 1.00 0.00 O ATOM 752 CB PRO A 47 -8.639 5.669 10.678 1.00 0.00 C ATOM 753 CG PRO A 47 -9.956 5.569 9.970 1.00 0.00 C ATOM 754 CD PRO A 47 -9.866 4.374 9.063 1.00 0.00 C ATOM 0 HA PRO A 47 -6.811 5.484 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.706 5.259 11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.328 6.709 10.777 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.772 5.453 10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.159 6.475 9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.198 3.462 9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.481 4.494 8.171 1.00 0.00 H new ATOM 762 N SER A 48 -5.803 3.336 10.217 1.00 0.00 N ATOM 763 CA SER A 48 -5.047 2.289 10.902 1.00 0.00 C ATOM 764 C SER A 48 -5.780 0.946 10.825 1.00 0.00 C ATOM 765 O SER A 48 -6.689 0.768 10.012 1.00 0.00 O ATOM 766 CB SER A 48 -4.788 2.684 12.362 1.00 0.00 C ATOM 767 OG SER A 48 -4.120 3.933 12.433 1.00 0.00 O ATOM 0 H SER A 48 -5.345 3.698 9.381 1.00 0.00 H new ATOM 0 HA SER A 48 -4.086 2.176 10.399 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.733 2.740 12.902 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.187 1.917 12.850 1.00 0.00 H new ATOM 0 HG SER A 48 -3.965 4.168 13.372 1.00 0.00 H new ATOM 773 N LEU A 49 -5.368 -0.002 11.654 1.00 0.00 N ATOM 774 CA LEU A 49 -5.973 -1.324 11.660 1.00 0.00 C ATOM 775 C LEU A 49 -7.257 -1.318 12.481 1.00 0.00 C ATOM 776 O LEU A 49 -7.433 -0.477 13.361 1.00 0.00 O ATOM 777 CB LEU A 49 -4.984 -2.353 12.207 1.00 0.00 C ATOM 778 CG LEU A 49 -3.661 -2.442 11.440 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.742 -3.471 12.072 1.00 0.00 C ATOM 780 CD2 LEU A 49 -3.910 -2.780 9.977 1.00 0.00 C ATOM 0 H LEU A 49 -4.616 0.121 12.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.226 -1.599 10.636 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.769 -2.112 13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.460 -3.334 12.199 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.173 -1.468 11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.808 -3.518 11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.532 -3.187 13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.224 -4.448 12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.958 -2.839 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.423 -3.739 9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.528 -2.005 9.525 1.00 0.00 H new ATOM 792 N GLY A 50 -8.147 -2.253 12.188 1.00 0.00 N ATOM 793 CA GLY A 50 -9.448 -2.268 12.828 1.00 0.00 C ATOM 794 C GLY A 50 -10.523 -1.791 11.877 1.00 0.00 C ATOM 795 O GLY A 50 -11.510 -2.483 11.639 1.00 0.00 O ATOM 0 H GLY A 50 -7.992 -3.005 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.679 -3.278 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.430 -1.631 13.712 1.00 0.00 H new ATOM 799 N GLN A 51 -10.311 -0.608 11.319 1.00 0.00 N ATOM 800 CA GLN A 51 -11.202 -0.065 10.305 1.00 0.00 C ATOM 801 C GLN A 51 -10.806 -0.578 8.924 1.00 0.00 C ATOM 802 O GLN A 51 -11.502 -0.342 7.929 1.00 0.00 O ATOM 803 CB GLN A 51 -11.189 1.468 10.324 1.00 0.00 C ATOM 804 CG GLN A 51 -11.807 2.078 11.575 1.00 0.00 C ATOM 805 CD GLN A 51 -10.821 2.257 12.719 1.00 0.00 C ATOM 806 OE1 GLN A 51 -9.835 1.532 12.841 1.00 0.00 O ATOM 807 NE2 GLN A 51 -11.091 3.227 13.575 1.00 0.00 N ATOM 0 H GLN A 51 -9.524 -0.003 11.554 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.215 -0.399 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.159 1.813 10.235 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.726 1.836 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.236 3.047 11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.628 1.444 11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -11.918 3.809 13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.472 3.394 14.368 1.00 0.00 H new ATOM 816 N LEU A 52 -9.676 -1.274 8.867 1.00 0.00 N ATOM 817 CA LEU A 52 -9.255 -1.936 7.643 1.00 0.00 C ATOM 818 C LEU A 52 -10.101 -3.183 7.428 1.00 0.00 C ATOM 819 O LEU A 52 -9.716 -4.287 7.806 1.00 0.00 O ATOM 820 CB LEU A 52 -7.764 -2.298 7.689 1.00 0.00 C ATOM 821 CG LEU A 52 -7.230 -3.037 6.455 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.434 -2.206 5.197 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.759 -3.375 6.635 1.00 0.00 C ATOM 0 H LEU A 52 -9.038 -1.393 9.654 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.399 -1.250 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.189 -1.382 7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.584 -2.916 8.568 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.790 -3.966 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.048 -2.750 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.498 -2.012 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.903 -1.259 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.395 -3.899 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.189 -2.456 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.637 -4.012 7.511 1.00 0.00 H new ATOM 835 N GLN A 53 -11.276 -2.980 6.863 1.00 0.00 N ATOM 836 CA GLN A 53 -12.208 -4.063 6.616 1.00 0.00 C ATOM 837 C GLN A 53 -11.877 -4.752 5.300 1.00 0.00 C ATOM 838 O GLN A 53 -11.271 -4.143 4.416 1.00 0.00 O ATOM 839 CB GLN A 53 -13.636 -3.520 6.557 1.00 0.00 C ATOM 840 CG GLN A 53 -14.037 -2.702 7.771 1.00 0.00 C ATOM 841 CD GLN A 53 -15.465 -2.205 7.692 1.00 0.00 C ATOM 842 OE1 GLN A 53 -16.326 -2.974 7.047 1.00 0.00 O flip ATOM 843 NE2 GLN A 53 -15.794 -1.138 8.207 1.00 0.00 N flip ATOM 0 H GLN A 53 -11.610 -2.064 6.564 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.126 -4.784 7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.742 -2.903 5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.327 -4.356 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.916 -3.308 8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.364 -1.850 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.100 -0.573 8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.761 -0.818 8.145 1.00 0.00 H new ATOM 852 N PRO A 54 -12.274 -6.024 5.146 1.00 0.00 N ATOM 853 CA PRO A 54 -12.142 -6.738 3.876 1.00 0.00 C ATOM 854 C PRO A 54 -12.820 -5.974 2.741 1.00 0.00 C ATOM 855 O PRO A 54 -12.346 -5.971 1.607 1.00 0.00 O ATOM 856 CB PRO A 54 -12.853 -8.071 4.133 1.00 0.00 C ATOM 857 CG PRO A 54 -12.793 -8.254 5.610 1.00 0.00 C ATOM 858 CD PRO A 54 -12.863 -6.873 6.199 1.00 0.00 C ATOM 0 HA PRO A 54 -11.103 -6.861 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.884 -8.045 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.358 -8.891 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.620 -8.871 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.872 -8.758 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.890 -6.583 6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.302 -6.805 7.131 1.00 0.00 H new ATOM 866 N ALA A 55 -13.914 -5.293 3.072 1.00 0.00 N ATOM 867 CA ALA A 55 -14.652 -4.501 2.099 1.00 0.00 C ATOM 868 C ALA A 55 -13.976 -3.152 1.850 1.00 0.00 C ATOM 869 O ALA A 55 -14.338 -2.431 0.921 1.00 0.00 O ATOM 870 CB ALA A 55 -16.089 -4.306 2.558 1.00 0.00 C ATOM 0 H ALA A 55 -14.309 -5.276 4.012 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.657 -5.046 1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.629 -3.712 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.572 -5.277 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.097 -3.789 3.517 1.00 0.00 H new ATOM 876 N HIS A 56 -12.993 -2.810 2.680 1.00 0.00 N ATOM 877 CA HIS A 56 -12.232 -1.574 2.499 1.00 0.00 C ATOM 878 C HIS A 56 -10.946 -1.845 1.728 1.00 0.00 C ATOM 879 O HIS A 56 -10.350 -0.937 1.153 1.00 0.00 O ATOM 880 CB HIS A 56 -11.917 -0.904 3.843 1.00 0.00 C ATOM 881 CG HIS A 56 -12.973 0.063 4.286 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.107 0.505 5.589 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.939 0.695 3.578 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.110 1.363 5.654 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.627 1.494 4.450 1.00 0.00 N ATOM 0 H HIS A 56 -12.705 -3.369 3.483 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.851 -0.888 1.921 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.796 -1.674 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.964 -0.380 3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.525 0.215 6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.131 0.588 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.449 1.871 6.545 1.00 0.00 H new ATOM 894 N MET A 57 -10.523 -3.101 1.727 1.00 0.00 N ATOM 895 CA MET A 57 -9.387 -3.530 0.920 1.00 0.00 C ATOM 896 C MET A 57 -9.904 -4.090 -0.401 1.00 0.00 C ATOM 897 O MET A 57 -9.138 -4.411 -1.314 1.00 0.00 O ATOM 898 CB MET A 57 -8.581 -4.594 1.676 1.00 0.00 C ATOM 899 CG MET A 57 -7.232 -4.916 1.052 1.00 0.00 C ATOM 900 SD MET A 57 -6.103 -3.510 1.077 1.00 0.00 S ATOM 901 CE MET A 57 -4.608 -4.265 0.440 1.00 0.00 C ATOM 0 H MET A 57 -10.951 -3.845 2.278 1.00 0.00 H new ATOM 0 HA MET A 57 -8.731 -2.682 0.721 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.423 -4.254 2.700 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.171 -5.509 1.731 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.779 -5.751 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.380 -5.240 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.031 -3.522 -0.109 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.012 -4.648 1.269 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.871 -5.086 -0.227 1.00 0.00 H new ATOM 911 N ASP A 58 -11.228 -4.171 -0.483 1.00 0.00 N ATOM 912 CA ASP A 58 -11.936 -4.763 -1.617 1.00 0.00 C ATOM 913 C ASP A 58 -11.548 -4.097 -2.934 1.00 0.00 C ATOM 914 O ASP A 58 -11.386 -4.768 -3.953 1.00 0.00 O ATOM 915 CB ASP A 58 -13.443 -4.643 -1.382 1.00 0.00 C ATOM 916 CG ASP A 58 -14.273 -5.277 -2.476 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.461 -6.510 -2.440 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.758 -4.540 -3.361 1.00 0.00 O ATOM 0 H ASP A 58 -11.850 -3.823 0.246 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.655 -5.813 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.693 -5.110 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.708 -3.589 -1.300 1.00 0.00 H new ATOM 923 N ALA A 59 -11.399 -2.778 -2.907 1.00 0.00 N ATOM 924 CA ALA A 59 -10.981 -2.029 -4.088 1.00 0.00 C ATOM 925 C ALA A 59 -9.646 -2.543 -4.621 1.00 0.00 C ATOM 926 O ALA A 59 -9.485 -2.765 -5.822 1.00 0.00 O ATOM 927 CB ALA A 59 -10.885 -0.545 -3.767 1.00 0.00 C ATOM 0 H ALA A 59 -11.561 -2.204 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.733 -2.174 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.572 0.000 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.859 -0.180 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.155 -0.391 -2.972 1.00 0.00 H new ATOM 933 N VAL A 60 -8.700 -2.764 -3.718 1.00 0.00 N ATOM 934 CA VAL A 60 -7.367 -3.207 -4.099 1.00 0.00 C ATOM 935 C VAL A 60 -7.403 -4.661 -4.564 1.00 0.00 C ATOM 936 O VAL A 60 -6.708 -5.044 -5.508 1.00 0.00 O ATOM 937 CB VAL A 60 -6.372 -3.066 -2.928 1.00 0.00 C ATOM 938 CG1 VAL A 60 -4.952 -3.354 -3.389 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.464 -1.680 -2.307 1.00 0.00 C ATOM 0 H VAL A 60 -8.832 -2.643 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.030 -2.571 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.638 -3.799 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.268 -3.249 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.895 -4.371 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.674 -2.649 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.754 -1.602 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.230 -0.928 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.474 -1.516 -1.932 1.00 0.00 H new ATOM 949 N LEU A 61 -8.240 -5.458 -3.910 1.00 0.00 N ATOM 950 CA LEU A 61 -8.379 -6.872 -4.242 1.00 0.00 C ATOM 951 C LEU A 61 -9.053 -7.054 -5.600 1.00 0.00 C ATOM 952 O LEU A 61 -8.990 -8.132 -6.196 1.00 0.00 O ATOM 953 CB LEU A 61 -9.191 -7.592 -3.163 1.00 0.00 C ATOM 954 CG LEU A 61 -8.600 -7.533 -1.753 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.552 -8.172 -0.757 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.241 -8.221 -1.708 1.00 0.00 C ATOM 0 H LEU A 61 -8.836 -5.147 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.380 -7.304 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.193 -7.163 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.300 -8.638 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.461 -6.487 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.120 -8.123 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.502 -7.638 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.719 -9.214 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.839 -8.167 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.352 -9.265 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.558 -7.723 -2.396 1.00 0.00 H new ATOM 968 N ALA A 62 -9.704 -6.002 -6.073 1.00 0.00 N ATOM 969 CA ALA A 62 -10.366 -6.031 -7.368 1.00 0.00 C ATOM 970 C ALA A 62 -9.420 -5.590 -8.478 1.00 0.00 C ATOM 971 O ALA A 62 -9.435 -6.155 -9.571 1.00 0.00 O ATOM 972 CB ALA A 62 -11.604 -5.148 -7.348 1.00 0.00 C ATOM 0 H ALA A 62 -9.788 -5.115 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.668 -7.059 -7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.089 -5.179 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.296 -5.509 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.316 -4.122 -7.119 1.00 0.00 H new ATOM 978 N LEU A 63 -8.598 -4.582 -8.189 1.00 0.00 N ATOM 979 CA LEU A 63 -7.654 -4.048 -9.173 1.00 0.00 C ATOM 980 C LEU A 63 -6.573 -5.071 -9.510 1.00 0.00 C ATOM 981 O LEU A 63 -6.120 -5.150 -10.653 1.00 0.00 O ATOM 982 CB LEU A 63 -7.009 -2.762 -8.649 1.00 0.00 C ATOM 983 CG LEU A 63 -7.978 -1.608 -8.381 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.234 -0.410 -7.813 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.716 -1.219 -9.655 1.00 0.00 C ATOM 0 H LEU A 63 -8.566 -4.118 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.210 -3.824 -10.083 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.478 -2.991 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.263 -2.429 -9.371 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.712 -1.941 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.938 0.401 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.751 -0.692 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.478 -0.080 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.400 -0.397 -9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.996 -0.906 -10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.281 -2.075 -10.024 1.00 0.00 H new ATOM 997 N ASN A 64 -6.170 -5.839 -8.500 1.00 0.00 N ATOM 998 CA ASN A 64 -5.184 -6.911 -8.658 1.00 0.00 C ATOM 999 C ASN A 64 -3.811 -6.382 -9.062 1.00 0.00 C ATOM 1000 O ASN A 64 -3.466 -6.354 -10.243 1.00 0.00 O ATOM 1001 CB ASN A 64 -5.648 -7.960 -9.674 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.764 -8.838 -9.149 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.772 -9.087 -7.850 1.00 0.00 O flip ATOM 1004 ND2 ASN A 64 -7.606 -9.308 -9.914 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.517 -5.737 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.093 -7.381 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.985 -7.456 -10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.801 -8.587 -9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.567 -9.093 -10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.343 -9.913 -9.552 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.014 -5.941 -8.081 1.00 0.00 N ATOM 1012 CA PRO A 65 -1.638 -5.530 -8.302 1.00 0.00 C ATOM 1013 C PRO A 65 -0.689 -6.731 -8.252 1.00 0.00 C ATOM 1014 O PRO A 65 -1.055 -7.804 -7.757 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.351 -4.571 -7.139 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.564 -4.601 -6.257 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.384 -5.789 -6.677 1.00 0.00 C ATOM 0 HA PRO A 65 -1.492 -5.071 -9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.463 -4.882 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.162 -3.562 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.277 -4.682 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.138 -3.680 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.141 -6.677 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.452 -5.610 -6.555 1.00 0.00 H new ATOM 1025 N ALA A 66 0.518 -6.558 -8.769 1.00 0.00 N ATOM 1026 CA ALA A 66 1.529 -7.601 -8.705 1.00 0.00 C ATOM 1027 C ALA A 66 2.090 -7.677 -7.297 1.00 0.00 C ATOM 1028 O ALA A 66 2.365 -8.758 -6.773 1.00 0.00 O ATOM 1029 CB ALA A 66 2.639 -7.333 -9.712 1.00 0.00 C ATOM 0 H ALA A 66 0.821 -5.704 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 66 1.071 -8.558 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.386 -8.124 -9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.220 -7.309 -10.718 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.107 -6.374 -9.491 1.00 0.00 H new ATOM 1035 N VAL A 67 2.242 -6.512 -6.687 1.00 0.00 N ATOM 1036 CA VAL A 67 2.720 -6.427 -5.321 1.00 0.00 C ATOM 1037 C VAL A 67 2.058 -5.259 -4.588 1.00 0.00 C ATOM 1038 O VAL A 67 1.926 -4.158 -5.131 1.00 0.00 O ATOM 1039 CB VAL A 67 4.263 -6.291 -5.273 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.736 -5.098 -6.092 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.761 -6.184 -3.837 1.00 0.00 C ATOM 0 H VAL A 67 2.040 -5.611 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 67 2.447 -7.354 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 67 4.685 -7.194 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.822 -5.028 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.430 -5.226 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.294 -4.185 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.847 -6.090 -3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.320 -5.307 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.473 -7.078 -3.285 1.00 0.00 H new ATOM 1051 N ILE A 68 1.610 -5.520 -3.371 1.00 0.00 N ATOM 1052 CA ILE A 68 1.038 -4.487 -2.526 1.00 0.00 C ATOM 1053 C ILE A 68 2.043 -4.092 -1.458 1.00 0.00 C ATOM 1054 O ILE A 68 2.578 -4.947 -0.752 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.265 -4.958 -1.844 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.293 -5.379 -2.894 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.831 -3.853 -0.959 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.581 -5.910 -2.301 1.00 0.00 C ATOM 0 H ILE A 68 1.632 -6.446 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 68 0.799 -3.634 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.036 -5.820 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.521 -4.524 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.854 -6.145 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.749 -4.201 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.103 -3.593 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.046 -2.974 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.263 -6.189 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.366 -6.785 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.043 -5.139 -1.684 1.00 0.00 H new ATOM 1070 N LEU A 69 2.304 -2.805 -1.348 1.00 0.00 N ATOM 1071 CA LEU A 69 3.245 -2.304 -0.367 1.00 0.00 C ATOM 1072 C LEU A 69 2.483 -1.546 0.713 1.00 0.00 C ATOM 1073 O LEU A 69 1.894 -0.498 0.451 1.00 0.00 O ATOM 1074 CB LEU A 69 4.279 -1.395 -1.042 1.00 0.00 C ATOM 1075 CG LEU A 69 5.680 -1.406 -0.419 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.616 -0.517 -1.221 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.645 -0.959 1.035 1.00 0.00 C ATOM 0 H LEU A 69 1.875 -2.084 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 69 3.777 -3.138 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.364 -1.687 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.902 -0.372 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 69 6.051 -2.431 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.608 -0.532 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.678 -0.884 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.234 0.504 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.654 -0.978 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.248 0.055 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.007 -1.632 1.607 1.00 0.00 H new ATOM 1089 N LEU A 70 2.484 -2.091 1.916 1.00 0.00 N ATOM 1090 CA LEU A 70 1.761 -1.498 3.024 1.00 0.00 C ATOM 1091 C LEU A 70 2.712 -0.713 3.916 1.00 0.00 C ATOM 1092 O LEU A 70 3.695 -1.257 4.416 1.00 0.00 O ATOM 1093 CB LEU A 70 1.059 -2.589 3.840 1.00 0.00 C ATOM 1094 CG LEU A 70 0.232 -2.090 5.028 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.923 -1.221 4.551 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.282 -3.265 5.846 1.00 0.00 C ATOM 0 H LEU A 70 2.982 -2.950 2.151 1.00 0.00 H new ATOM 0 HA LEU A 70 1.011 -0.816 2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.405 -3.153 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.813 -3.284 4.210 1.00 0.00 H new ATOM 0 HG LEU A 70 0.874 -1.481 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.498 -0.877 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.531 -0.361 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.568 -1.803 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.868 -2.894 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.909 -3.899 5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.562 -3.845 6.220 1.00 0.00 H new ATOM 1108 N GLY A 71 2.426 0.568 4.090 1.00 0.00 N ATOM 1109 CA GLY A 71 3.218 1.396 4.976 1.00 0.00 C ATOM 1110 C GLY A 71 2.403 1.874 6.156 1.00 0.00 C ATOM 1111 O GLY A 71 1.637 2.830 6.037 1.00 0.00 O ATOM 0 H GLY A 71 1.655 1.052 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.080 0.831 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.604 2.254 4.426 1.00 0.00 H new ATOM 1115 N THR A 72 2.560 1.209 7.290 1.00 0.00 N ATOM 1116 CA THR A 72 1.768 1.509 8.478 1.00 0.00 C ATOM 1117 C THR A 72 2.392 2.631 9.309 1.00 0.00 C ATOM 1118 O THR A 72 2.525 2.505 10.522 1.00 0.00 O ATOM 1119 CB THR A 72 1.606 0.250 9.355 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.885 -0.362 9.585 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.671 -0.751 8.693 1.00 0.00 C ATOM 0 H THR A 72 3.233 0.453 7.415 1.00 0.00 H new ATOM 0 HA THR A 72 0.789 1.842 8.134 1.00 0.00 H new ATOM 0 HB THR A 72 1.175 0.553 10.309 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.111 -0.299 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.571 -1.631 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.308 -0.294 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.079 -1.046 7.726 1.00 0.00 H new ATOM 1129 N GLY A 73 2.715 3.743 8.651 1.00 0.00 N ATOM 1130 CA GLY A 73 3.410 4.841 9.307 1.00 0.00 C ATOM 1131 C GLY A 73 4.689 4.395 9.990 1.00 0.00 C ATOM 1132 O GLY A 73 5.748 4.322 9.365 1.00 0.00 O ATOM 0 H GLY A 73 2.506 3.904 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.644 5.610 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.749 5.297 10.044 1.00 0.00 H new ATOM 1136 N GLU A 74 4.582 4.097 11.271 1.00 0.00 N ATOM 1137 CA GLU A 74 5.688 3.565 12.039 1.00 0.00 C ATOM 1138 C GLU A 74 5.173 2.398 12.870 1.00 0.00 C ATOM 1139 O GLU A 74 3.987 2.368 13.203 1.00 0.00 O ATOM 1140 CB GLU A 74 6.304 4.654 12.925 1.00 0.00 C ATOM 1141 CG GLU A 74 7.556 4.211 13.668 1.00 0.00 C ATOM 1142 CD GLU A 74 8.550 3.497 12.771 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.143 4.150 11.886 1.00 0.00 O ATOM 1144 OE2 GLU A 74 8.738 2.275 12.949 1.00 0.00 O ATOM 0 H GLU A 74 3.723 4.218 11.808 1.00 0.00 H new ATOM 0 HA GLU A 74 6.476 3.215 11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.547 5.517 12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.560 4.982 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.036 5.082 14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.272 3.550 14.487 1.00 0.00 H new ATOM 1151 N ARG A 75 6.066 1.462 13.194 1.00 0.00 N ATOM 1152 CA ARG A 75 5.701 0.192 13.827 1.00 0.00 C ATOM 1153 C ARG A 75 5.123 -0.757 12.784 1.00 0.00 C ATOM 1154 O ARG A 75 4.078 -0.489 12.186 1.00 0.00 O ATOM 1155 CB ARG A 75 4.710 0.384 14.984 1.00 0.00 C ATOM 1156 CG ARG A 75 4.290 -0.912 15.658 1.00 0.00 C ATOM 1157 CD ARG A 75 3.098 -0.696 16.580 1.00 0.00 C ATOM 1158 NE ARG A 75 3.364 0.305 17.615 1.00 0.00 N ATOM 1159 CZ ARG A 75 2.532 1.304 17.916 1.00 0.00 C ATOM 1160 NH1 ARG A 75 1.397 1.452 17.247 1.00 0.00 N ATOM 1161 NH2 ARG A 75 2.839 2.158 18.885 1.00 0.00 N ATOM 0 H ARG A 75 7.067 1.563 13.025 1.00 0.00 H new ATOM 0 HA ARG A 75 6.608 -0.239 14.251 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.160 1.040 15.729 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.821 0.891 14.608 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.036 -1.653 14.900 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.126 -1.315 16.230 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.238 -0.383 15.989 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.833 -1.641 17.053 1.00 0.00 H new ATOM 0 HE ARG A 75 4.237 0.235 18.137 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.157 0.801 16.499 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.764 2.217 17.480 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.712 2.051 19.401 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.202 2.921 19.113 1.00 0.00 H new ATOM 1175 N GLN A 76 5.823 -1.859 12.559 1.00 0.00 N ATOM 1176 CA GLN A 76 5.406 -2.850 11.577 1.00 0.00 C ATOM 1177 C GLN A 76 4.112 -3.522 12.018 1.00 0.00 C ATOM 1178 O GLN A 76 4.068 -4.181 13.059 1.00 0.00 O ATOM 1179 CB GLN A 76 6.506 -3.895 11.396 1.00 0.00 C ATOM 1180 CG GLN A 76 6.159 -5.005 10.418 1.00 0.00 C ATOM 1181 CD GLN A 76 7.168 -6.136 10.450 1.00 0.00 C ATOM 1182 OE1 GLN A 76 7.756 -6.377 11.613 1.00 0.00 O flip ATOM 1183 NE2 GLN A 76 7.411 -6.800 9.443 1.00 0.00 N flip ATOM 0 H GLN A 76 6.688 -2.091 13.047 1.00 0.00 H new ATOM 0 HA GLN A 76 5.229 -2.349 10.625 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.413 -3.396 11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.733 -4.339 12.366 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.169 -5.397 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.108 -4.595 9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.939 -6.586 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.084 -7.565 9.487 1.00 0.00 H new ATOM 1192 N GLN A 77 3.058 -3.338 11.238 1.00 0.00 N ATOM 1193 CA GLN A 77 1.760 -3.910 11.562 1.00 0.00 C ATOM 1194 C GLN A 77 1.201 -4.700 10.388 1.00 0.00 C ATOM 1195 O GLN A 77 1.224 -4.241 9.246 1.00 0.00 O ATOM 1196 CB GLN A 77 0.780 -2.806 11.965 1.00 0.00 C ATOM 1197 CG GLN A 77 1.091 -2.174 13.313 1.00 0.00 C ATOM 1198 CD GLN A 77 0.884 -3.136 14.465 1.00 0.00 C ATOM 1199 OE1 GLN A 77 -0.200 -3.207 15.042 1.00 0.00 O ATOM 1200 NE2 GLN A 77 1.916 -3.893 14.801 1.00 0.00 N ATOM 0 H GLN A 77 3.076 -2.796 10.374 1.00 0.00 H new ATOM 0 HA GLN A 77 1.893 -4.593 12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.786 -2.030 11.200 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.228 -3.219 11.991 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.123 -1.824 13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.457 -1.299 13.456 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.799 -3.804 14.298 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.829 -4.565 15.563 1.00 0.00 H new ATOM 1209 N PHE A 78 0.710 -5.894 10.677 1.00 0.00 N ATOM 1210 CA PHE A 78 0.078 -6.728 9.669 1.00 0.00 C ATOM 1211 C PHE A 78 -1.433 -6.698 9.848 1.00 0.00 C ATOM 1212 O PHE A 78 -1.922 -6.582 10.975 1.00 0.00 O ATOM 1213 CB PHE A 78 0.583 -8.173 9.763 1.00 0.00 C ATOM 1214 CG PHE A 78 2.035 -8.341 9.422 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.426 -8.587 8.116 1.00 0.00 C ATOM 1216 CD2 PHE A 78 3.008 -8.262 10.405 1.00 0.00 C ATOM 1217 CE1 PHE A 78 3.760 -8.749 7.796 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.344 -8.424 10.091 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.720 -8.667 8.785 1.00 0.00 C ATOM 0 H PHE A 78 0.738 -6.309 11.608 1.00 0.00 H new ATOM 0 HA PHE A 78 0.336 -6.335 8.685 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.414 -8.540 10.776 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.010 -8.797 9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.679 -8.653 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.719 -8.072 11.428 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.052 -8.940 6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.093 -8.361 10.866 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.764 -8.793 8.537 1.00 0.00 H new ATOM 1229 N PRO A 79 -2.191 -6.782 8.746 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.653 -6.843 8.797 1.00 0.00 C ATOM 1231 C PRO A 79 -4.140 -8.076 9.553 1.00 0.00 C ATOM 1232 O PRO A 79 -3.403 -9.051 9.714 1.00 0.00 O ATOM 1233 CB PRO A 79 -4.070 -6.922 7.324 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.895 -6.417 6.562 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.688 -6.807 7.364 1.00 0.00 C ATOM 0 HA PRO A 79 -4.079 -5.987 9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.316 -7.945 7.038 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.955 -6.316 7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.859 -6.854 5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.947 -5.336 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.320 -7.794 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.864 -6.108 7.221 1.00 0.00 H new ATOM 1243 N SER A 80 -5.380 -8.029 10.012 1.00 0.00 N ATOM 1244 CA SER A 80 -5.958 -9.131 10.759 1.00 0.00 C ATOM 1245 C SER A 80 -6.232 -10.322 9.843 1.00 0.00 C ATOM 1246 O SER A 80 -6.224 -10.188 8.616 1.00 0.00 O ATOM 1247 CB SER A 80 -7.242 -8.662 11.438 1.00 0.00 C ATOM 1248 OG SER A 80 -8.041 -7.909 10.540 1.00 0.00 O ATOM 0 H SER A 80 -6.007 -7.235 9.879 1.00 0.00 H new ATOM 0 HA SER A 80 -5.250 -9.457 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.804 -9.524 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.997 -8.056 12.310 1.00 0.00 H new ATOM 0 HG SER A 80 -7.812 -6.959 10.616 1.00 0.00 H new ATOM 1254 N THR A 81 -6.485 -11.482 10.445 1.00 0.00 N ATOM 1255 CA THR A 81 -6.751 -12.705 9.694 1.00 0.00 C ATOM 1256 C THR A 81 -7.963 -12.523 8.778 1.00 0.00 C ATOM 1257 O THR A 81 -8.073 -13.164 7.730 1.00 0.00 O ATOM 1258 CB THR A 81 -6.999 -13.890 10.652 1.00 0.00 C ATOM 1259 OG1 THR A 81 -5.985 -13.915 11.666 1.00 0.00 O ATOM 1260 CG2 THR A 81 -6.993 -15.216 9.904 1.00 0.00 C ATOM 0 H THR A 81 -6.511 -11.600 11.458 1.00 0.00 H new ATOM 0 HA THR A 81 -5.874 -12.920 9.084 1.00 0.00 H new ATOM 0 HB THR A 81 -7.980 -13.754 11.108 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.147 -14.667 12.273 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.170 -16.031 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.778 -15.211 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.026 -15.357 9.421 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.855 -11.621 9.180 1.00 0.00 N ATOM 1269 CA ASP A 82 -10.044 -11.285 8.401 1.00 0.00 C ATOM 1270 C ASP A 82 -9.647 -10.789 7.013 1.00 0.00 C ATOM 1271 O ASP A 82 -10.236 -11.180 6.005 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.855 -10.196 9.116 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.155 -10.533 10.566 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -10.218 -10.489 11.397 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.319 -10.846 10.885 1.00 0.00 O ATOM 0 H ASP A 82 -8.774 -11.103 10.055 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.653 -12.183 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.306 -9.255 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.793 -10.041 8.583 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.629 -9.938 6.975 1.00 0.00 N ATOM 1281 CA VAL A 83 -8.152 -9.359 5.726 1.00 0.00 C ATOM 1282 C VAL A 83 -7.155 -10.292 5.044 1.00 0.00 C ATOM 1283 O VAL A 83 -7.164 -10.441 3.820 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.486 -7.986 5.969 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -7.104 -7.324 4.653 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.404 -7.083 6.777 1.00 0.00 C ATOM 0 H VAL A 83 -8.115 -9.632 7.801 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.017 -9.222 5.077 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.572 -8.150 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.637 -6.359 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.403 -7.962 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.998 -7.176 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.918 -6.121 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.337 -6.932 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.616 -7.548 7.740 1.00 0.00 H new ATOM 1296 N LEU A 84 -6.311 -10.936 5.848 1.00 0.00 N ATOM 1297 CA LEU A 84 -5.282 -11.838 5.333 1.00 0.00 C ATOM 1298 C LEU A 84 -5.889 -12.943 4.476 1.00 0.00 C ATOM 1299 O LEU A 84 -5.322 -13.325 3.454 1.00 0.00 O ATOM 1300 CB LEU A 84 -4.483 -12.458 6.483 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.652 -11.475 7.308 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.931 -12.204 8.431 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.655 -10.744 6.420 1.00 0.00 C ATOM 0 H LEU A 84 -6.320 -10.849 6.864 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.612 -11.246 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.176 -12.971 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.816 -13.216 6.072 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.324 -10.739 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.344 -11.491 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.662 -12.684 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.270 -12.960 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.072 -10.048 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.987 -11.467 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.192 -10.193 5.648 1.00 0.00 H new ATOM 1315 N ALA A 85 -7.053 -13.434 4.888 1.00 0.00 N ATOM 1316 CA ALA A 85 -7.735 -14.502 4.165 1.00 0.00 C ATOM 1317 C ALA A 85 -8.027 -14.100 2.721 1.00 0.00 C ATOM 1318 O ALA A 85 -7.904 -14.910 1.805 1.00 0.00 O ATOM 1319 CB ALA A 85 -9.025 -14.882 4.879 1.00 0.00 C ATOM 0 H ALA A 85 -7.545 -13.109 5.720 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.072 -15.367 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.524 -15.680 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.795 -15.225 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.681 -14.013 4.932 1.00 0.00 H new ATOM 1325 N ALA A 86 -8.374 -12.835 2.520 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.744 -12.343 1.200 1.00 0.00 C ATOM 1327 C ALA A 86 -7.510 -12.071 0.344 1.00 0.00 C ATOM 1328 O ALA A 86 -7.598 -11.974 -0.879 1.00 0.00 O ATOM 1329 CB ALA A 86 -9.593 -11.088 1.329 1.00 0.00 C ATOM 0 H ALA A 86 -8.407 -12.130 3.256 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.329 -13.115 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.864 -10.728 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.498 -11.317 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.026 -10.317 1.852 1.00 0.00 H new ATOM 1335 N CYS A 87 -6.359 -11.957 0.989 1.00 0.00 N ATOM 1336 CA CYS A 87 -5.115 -11.699 0.280 1.00 0.00 C ATOM 1337 C CYS A 87 -4.438 -13.015 -0.095 1.00 0.00 C ATOM 1338 O CYS A 87 -3.871 -13.154 -1.183 1.00 0.00 O ATOM 1339 CB CYS A 87 -4.184 -10.846 1.150 1.00 0.00 C ATOM 1340 SG CYS A 87 -2.740 -10.187 0.281 1.00 0.00 S ATOM 0 H CYS A 87 -6.260 -12.039 2.001 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.336 -11.152 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.755 -10.014 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.842 -11.448 1.992 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.072 -11.165 -0.254 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.524 -13.991 0.802 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.869 -15.279 0.601 1.00 0.00 C ATOM 1348 C LEU A 88 -4.645 -16.157 -0.378 1.00 0.00 C ATOM 1349 O LEU A 88 -4.058 -16.996 -1.061 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.702 -16.008 1.936 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.863 -15.270 2.983 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.814 -16.062 4.278 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -1.456 -15.019 2.464 1.00 0.00 C ATOM 0 H LEU A 88 -5.042 -13.915 1.677 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.886 -15.084 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.691 -16.197 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.245 -16.979 1.746 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.334 -14.307 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.214 -15.523 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.825 -16.193 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.368 -17.039 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.877 -14.494 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.977 -15.971 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.505 -14.412 1.560 1.00 0.00 H new ATOM 1365 N THR A 89 -5.957 -15.956 -0.450 1.00 0.00 N ATOM 1366 CA THR A 89 -6.800 -16.734 -1.353 1.00 0.00 C ATOM 1367 C THR A 89 -6.413 -16.521 -2.812 1.00 0.00 C ATOM 1368 O THR A 89 -6.346 -17.474 -3.591 1.00 0.00 O ATOM 1369 CB THR A 89 -8.285 -16.386 -1.168 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.417 -15.004 -0.813 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.922 -17.263 -0.104 1.00 0.00 C ATOM 0 H THR A 89 -6.459 -15.263 0.105 1.00 0.00 H new ATOM 0 HA THR A 89 -6.642 -17.782 -1.099 1.00 0.00 H new ATOM 0 HB THR A 89 -8.803 -16.569 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.449 -14.918 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.973 -16.996 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.843 -18.309 -0.400 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.408 -17.114 0.846 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.159 -15.272 -3.184 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.764 -14.960 -4.551 1.00 0.00 C ATOM 1381 C ARG A 90 -4.245 -15.003 -4.691 1.00 0.00 C ATOM 1382 O ARG A 90 -3.710 -15.048 -5.802 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.304 -13.593 -4.980 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.814 -13.468 -4.838 1.00 0.00 C ATOM 1385 CD ARG A 90 -8.366 -12.320 -5.667 1.00 0.00 C ATOM 1386 NE ARG A 90 -8.231 -12.577 -7.102 1.00 0.00 N ATOM 1387 CZ ARG A 90 -8.783 -11.831 -8.057 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -9.510 -10.760 -7.741 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -8.610 -12.165 -9.331 1.00 0.00 N ATOM 0 H ARG A 90 -6.219 -14.465 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.195 -15.715 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.825 -12.818 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.028 -13.411 -6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.287 -14.400 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.069 -13.315 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.417 -12.166 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.841 -11.400 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.676 -13.383 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.647 -10.507 -6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.930 -10.193 -8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.058 -12.988 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.030 -11.599 -10.068 1.00 0.00 H new ATOM 1403 N GLY A 91 -3.557 -14.999 -3.555 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.110 -15.084 -3.554 1.00 0.00 C ATOM 1405 C GLY A 91 -1.453 -13.776 -3.930 1.00 0.00 C ATOM 1406 O GLY A 91 -0.578 -13.736 -4.794 1.00 0.00 O ATOM 0 H GLY A 91 -3.980 -14.938 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.768 -15.387 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.794 -15.859 -4.252 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.874 -12.704 -3.284 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.323 -11.390 -3.565 1.00 0.00 C ATOM 1412 C ILE A 92 -0.138 -11.111 -2.644 1.00 0.00 C ATOM 1413 O ILE A 92 -0.211 -11.354 -1.439 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.383 -10.281 -3.388 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.664 -10.623 -4.161 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.829 -8.942 -3.852 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -3.466 -10.760 -5.658 1.00 0.00 C ATOM 0 H ILE A 92 -2.595 -12.717 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.993 -11.386 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.631 -10.211 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.072 -11.556 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.407 -9.848 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.587 -8.170 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.948 -8.689 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.555 -9.007 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.418 -11.002 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.089 -9.821 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.749 -11.556 -5.859 1.00 0.00 H new ATOM 1429 N GLY A 93 0.952 -10.620 -3.220 1.00 0.00 N ATOM 1430 CA GLY A 93 2.131 -10.310 -2.437 1.00 0.00 C ATOM 1431 C GLY A 93 1.955 -9.050 -1.615 1.00 0.00 C ATOM 1432 O GLY A 93 1.763 -7.966 -2.166 1.00 0.00 O ATOM 0 H GLY A 93 1.040 -10.431 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.356 -11.146 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.986 -10.192 -3.102 1.00 0.00 H new ATOM 1436 N LEU A 94 2.014 -9.193 -0.299 1.00 0.00 N ATOM 1437 CA LEU A 94 1.835 -8.068 0.608 1.00 0.00 C ATOM 1438 C LEU A 94 3.127 -7.770 1.361 1.00 0.00 C ATOM 1439 O LEU A 94 3.546 -8.538 2.229 1.00 0.00 O ATOM 1440 CB LEU A 94 0.704 -8.369 1.598 1.00 0.00 C ATOM 1441 CG LEU A 94 0.435 -7.282 2.642 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.028 -5.996 1.978 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -0.596 -7.761 3.650 1.00 0.00 C ATOM 0 H LEU A 94 2.186 -10.084 0.167 1.00 0.00 H new ATOM 0 HA LEU A 94 1.571 -7.189 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.213 -8.541 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.938 -9.298 2.118 1.00 0.00 H new ATOM 0 HG LEU A 94 1.367 -7.075 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.213 -5.239 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.743 -5.642 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.947 -6.184 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.777 -6.977 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.527 -7.996 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.225 -8.653 4.154 1.00 0.00 H new ATOM 1455 N GLU A 95 3.766 -6.668 1.002 1.00 0.00 N ATOM 1456 CA GLU A 95 4.971 -6.221 1.683 1.00 0.00 C ATOM 1457 C GLU A 95 4.603 -5.210 2.763 1.00 0.00 C ATOM 1458 O GLU A 95 4.282 -4.064 2.457 1.00 0.00 O ATOM 1459 CB GLU A 95 5.946 -5.576 0.690 1.00 0.00 C ATOM 1460 CG GLU A 95 6.448 -6.514 -0.397 1.00 0.00 C ATOM 1461 CD GLU A 95 7.331 -7.621 0.141 1.00 0.00 C ATOM 1462 OE1 GLU A 95 8.520 -7.356 0.426 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.849 -8.765 0.267 1.00 0.00 O ATOM 0 H GLU A 95 3.468 -6.063 0.237 1.00 0.00 H new ATOM 0 HA GLU A 95 5.455 -7.086 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.456 -4.724 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.802 -5.187 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.594 -6.955 -0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.005 -5.939 -1.137 1.00 0.00 H new ATOM 1470 N ALA A 96 4.624 -5.640 4.015 1.00 0.00 N ATOM 1471 CA ALA A 96 4.250 -4.768 5.121 1.00 0.00 C ATOM 1472 C ALA A 96 5.482 -4.151 5.767 1.00 0.00 C ATOM 1473 O ALA A 96 6.303 -4.852 6.357 1.00 0.00 O ATOM 1474 CB ALA A 96 3.435 -5.536 6.150 1.00 0.00 C ATOM 0 H ALA A 96 4.895 -6.584 4.292 1.00 0.00 H new ATOM 0 HA ALA A 96 3.636 -3.960 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.164 -4.871 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.530 -5.923 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.027 -6.366 6.537 1.00 0.00 H new ATOM 1480 N MET A 97 5.612 -2.838 5.639 1.00 0.00 N ATOM 1481 CA MET A 97 6.738 -2.112 6.207 1.00 0.00 C ATOM 1482 C MET A 97 6.275 -0.764 6.745 1.00 0.00 C ATOM 1483 O MET A 97 5.079 -0.489 6.819 1.00 0.00 O ATOM 1484 CB MET A 97 7.840 -1.906 5.157 1.00 0.00 C ATOM 1485 CG MET A 97 8.536 -3.189 4.727 1.00 0.00 C ATOM 1486 SD MET A 97 9.856 -2.899 3.529 1.00 0.00 S ATOM 1487 CE MET A 97 8.929 -2.178 2.176 1.00 0.00 C ATOM 0 H MET A 97 4.944 -2.249 5.141 1.00 0.00 H new ATOM 0 HA MET A 97 7.147 -2.703 7.026 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.405 -1.429 4.278 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.585 -1.218 5.558 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.950 -3.684 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.802 -3.868 4.295 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.424 -2.408 1.233 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.920 -2.590 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.878 -1.097 2.305 1.00 0.00 H new ATOM 1497 N THR A 98 7.223 0.073 7.125 1.00 0.00 N ATOM 1498 CA THR A 98 6.914 1.393 7.638 1.00 0.00 C ATOM 1499 C THR A 98 6.996 2.433 6.524 1.00 0.00 C ATOM 1500 O THR A 98 7.479 2.135 5.433 1.00 0.00 O ATOM 1501 CB THR A 98 7.879 1.766 8.773 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.228 1.505 8.363 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.563 0.968 10.028 1.00 0.00 C ATOM 0 H THR A 98 8.220 -0.141 7.087 1.00 0.00 H new ATOM 0 HA THR A 98 5.897 1.378 8.030 1.00 0.00 H new ATOM 0 HB THR A 98 7.762 2.827 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.842 1.745 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.257 1.246 10.821 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.543 1.181 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.662 -0.097 9.817 1.00 0.00 H new ATOM 1511 N ASN A 99 6.529 3.646 6.807 1.00 0.00 N ATOM 1512 CA ASN A 99 6.526 4.733 5.826 1.00 0.00 C ATOM 1513 C ASN A 99 7.931 5.006 5.290 1.00 0.00 C ATOM 1514 O ASN A 99 8.116 5.200 4.087 1.00 0.00 O ATOM 1515 CB ASN A 99 5.940 6.004 6.454 1.00 0.00 C ATOM 1516 CG ASN A 99 6.173 7.252 5.615 1.00 0.00 C ATOM 1517 OD1 ASN A 99 7.141 7.983 5.828 1.00 0.00 O ATOM 1518 ND2 ASN A 99 5.292 7.507 4.661 1.00 0.00 N ATOM 0 H ASN A 99 6.144 3.904 7.716 1.00 0.00 H new ATOM 0 HA ASN A 99 5.904 4.427 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.869 5.868 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.381 6.150 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.402 8.333 4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 99 4.503 6.878 4.514 1.00 0.00 H new ATOM 1525 N ALA A 100 8.913 4.996 6.186 1.00 0.00 N ATOM 1526 CA ALA A 100 10.298 5.264 5.813 1.00 0.00 C ATOM 1527 C ALA A 100 10.819 4.238 4.808 1.00 0.00 C ATOM 1528 O ALA A 100 11.532 4.582 3.866 1.00 0.00 O ATOM 1529 CB ALA A 100 11.179 5.287 7.055 1.00 0.00 C ATOM 0 H ALA A 100 8.775 4.805 7.178 1.00 0.00 H new ATOM 0 HA ALA A 100 10.333 6.242 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.211 5.488 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.833 6.068 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.125 4.321 7.558 1.00 0.00 H new ATOM 1535 N ALA A 101 10.446 2.980 5.004 1.00 0.00 N ATOM 1536 CA ALA A 101 10.906 1.907 4.135 1.00 0.00 C ATOM 1537 C ALA A 101 10.052 1.815 2.874 1.00 0.00 C ATOM 1538 O ALA A 101 10.564 1.573 1.782 1.00 0.00 O ATOM 1539 CB ALA A 101 10.892 0.583 4.884 1.00 0.00 C ATOM 0 H ALA A 101 9.827 2.679 5.756 1.00 0.00 H new ATOM 0 HA ALA A 101 11.929 2.130 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.238 -0.212 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.551 0.648 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.877 0.363 5.216 1.00 0.00 H new ATOM 1545 N ALA A 102 8.752 2.029 3.035 1.00 0.00 N ATOM 1546 CA ALA A 102 7.805 1.924 1.933 1.00 0.00 C ATOM 1547 C ALA A 102 8.160 2.871 0.796 1.00 0.00 C ATOM 1548 O ALA A 102 8.126 2.488 -0.371 1.00 0.00 O ATOM 1549 CB ALA A 102 6.393 2.199 2.423 1.00 0.00 C ATOM 0 H ALA A 102 8.327 2.279 3.928 1.00 0.00 H new ATOM 0 HA ALA A 102 7.858 0.906 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.696 2.117 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.127 1.473 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.342 3.204 2.841 1.00 0.00 H new ATOM 1555 N ALA A 103 8.511 4.104 1.142 1.00 0.00 N ATOM 1556 CA ALA A 103 8.850 5.111 0.143 1.00 0.00 C ATOM 1557 C ALA A 103 10.085 4.703 -0.657 1.00 0.00 C ATOM 1558 O ALA A 103 10.177 4.962 -1.858 1.00 0.00 O ATOM 1559 CB ALA A 103 9.067 6.462 0.810 1.00 0.00 C ATOM 0 H ALA A 103 8.568 4.431 2.107 1.00 0.00 H new ATOM 0 HA ALA A 103 8.015 5.192 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.319 7.205 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.155 6.764 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.882 6.386 1.530 1.00 0.00 H new ATOM 1565 N ARG A 104 11.020 4.041 0.012 1.00 0.00 N ATOM 1566 CA ARG A 104 12.272 3.634 -0.614 1.00 0.00 C ATOM 1567 C ARG A 104 12.021 2.486 -1.592 1.00 0.00 C ATOM 1568 O ARG A 104 12.476 2.520 -2.736 1.00 0.00 O ATOM 1569 CB ARG A 104 13.279 3.214 0.465 1.00 0.00 C ATOM 1570 CG ARG A 104 14.745 3.413 0.087 1.00 0.00 C ATOM 1571 CD ARG A 104 15.210 2.438 -0.984 1.00 0.00 C ATOM 1572 NE ARG A 104 16.617 2.640 -1.326 1.00 0.00 N ATOM 1573 CZ ARG A 104 17.269 1.954 -2.262 1.00 0.00 C ATOM 1574 NH1 ARG A 104 16.651 1.005 -2.953 1.00 0.00 N ATOM 1575 NH2 ARG A 104 18.545 2.222 -2.506 1.00 0.00 N ATOM 0 H ARG A 104 10.935 3.773 0.993 1.00 0.00 H new ATOM 0 HA ARG A 104 12.686 4.475 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.073 3.780 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 104 13.119 2.162 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.890 4.433 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.365 3.294 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.064 1.416 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 104 14.597 2.560 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 104 17.134 3.354 -0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.670 0.797 -2.769 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.157 0.484 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 104 19.023 2.952 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 104 19.048 1.699 -3.222 1.00 0.00 H new ATOM 1589 N THR A 105 11.288 1.478 -1.141 1.00 0.00 N ATOM 1590 CA THR A 105 10.999 0.314 -1.966 1.00 0.00 C ATOM 1591 C THR A 105 10.057 0.669 -3.118 1.00 0.00 C ATOM 1592 O THR A 105 10.208 0.162 -4.234 1.00 0.00 O ATOM 1593 CB THR A 105 10.385 -0.819 -1.121 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.216 -1.068 0.020 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.244 -2.100 -1.933 1.00 0.00 C ATOM 0 H THR A 105 10.882 1.443 -0.206 1.00 0.00 H new ATOM 0 HA THR A 105 11.944 -0.030 -2.386 1.00 0.00 H new ATOM 0 HB THR A 105 9.391 -0.505 -0.801 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.111 -0.339 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.808 -2.880 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.597 -1.918 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.226 -2.420 -2.281 1.00 0.00 H new ATOM 1603 N TYR A 106 9.099 1.555 -2.850 1.00 0.00 N ATOM 1604 CA TYR A 106 8.140 1.976 -3.867 1.00 0.00 C ATOM 1605 C TYR A 106 8.851 2.616 -5.050 1.00 0.00 C ATOM 1606 O TYR A 106 8.514 2.344 -6.199 1.00 0.00 O ATOM 1607 CB TYR A 106 7.121 2.959 -3.285 1.00 0.00 C ATOM 1608 CG TYR A 106 6.186 3.546 -4.323 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.165 2.787 -4.878 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.336 4.859 -4.756 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.317 3.318 -5.832 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.493 5.397 -5.708 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.486 4.622 -6.245 1.00 0.00 C ATOM 1614 OH TYR A 106 3.645 5.154 -7.195 1.00 0.00 O ATOM 0 H TYR A 106 8.967 1.994 -1.939 1.00 0.00 H new ATOM 0 HA TYR A 106 7.613 1.086 -4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.531 2.450 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 106 7.653 3.770 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.031 1.764 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.125 5.468 -4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.526 2.714 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.621 6.420 -6.031 1.00 0.00 H new ATOM 0 HH TYR A 106 3.899 6.084 -7.373 1.00 0.00 H new ATOM 1624 N ASN A 107 9.836 3.459 -4.761 1.00 0.00 N ATOM 1625 CA ASN A 107 10.596 4.145 -5.804 1.00 0.00 C ATOM 1626 C ASN A 107 11.224 3.137 -6.765 1.00 0.00 C ATOM 1627 O ASN A 107 11.232 3.340 -7.980 1.00 0.00 O ATOM 1628 CB ASN A 107 11.681 5.029 -5.179 1.00 0.00 C ATOM 1629 CG ASN A 107 12.494 5.779 -6.219 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.513 5.280 -6.704 1.00 0.00 O ATOM 1631 ND2 ASN A 107 12.061 6.984 -6.561 1.00 0.00 N ATOM 0 H ASN A 107 10.129 3.685 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 107 9.910 4.777 -6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.215 5.745 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.348 4.410 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 107 12.575 7.535 -7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.213 7.361 -6.137 1.00 0.00 H new ATOM 1638 N VAL A 108 11.726 2.040 -6.211 1.00 0.00 N ATOM 1639 CA VAL A 108 12.332 0.982 -7.012 1.00 0.00 C ATOM 1640 C VAL A 108 11.275 0.280 -7.862 1.00 0.00 C ATOM 1641 O VAL A 108 11.413 0.174 -9.083 1.00 0.00 O ATOM 1642 CB VAL A 108 13.043 -0.061 -6.122 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.698 -1.144 -6.969 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.070 0.610 -5.223 1.00 0.00 C ATOM 0 H VAL A 108 11.726 1.859 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 108 13.071 1.450 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 108 12.291 -0.534 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.192 -1.866 -6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.938 -1.651 -7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.434 -0.691 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.559 -0.143 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.815 1.116 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.572 1.338 -4.583 1.00 0.00 H new ATOM 1654 N LEU A 109 10.209 -0.171 -7.212 1.00 0.00 N ATOM 1655 CA LEU A 109 9.140 -0.899 -7.890 1.00 0.00 C ATOM 1656 C LEU A 109 8.469 -0.033 -8.953 1.00 0.00 C ATOM 1657 O LEU A 109 8.068 -0.528 -10.010 1.00 0.00 O ATOM 1658 CB LEU A 109 8.103 -1.383 -6.874 1.00 0.00 C ATOM 1659 CG LEU A 109 8.642 -2.333 -5.800 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.545 -2.710 -4.817 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.244 -3.579 -6.436 1.00 0.00 C ATOM 0 H LEU A 109 10.060 -0.045 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 109 9.583 -1.762 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.665 -0.514 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.298 -1.885 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 109 9.429 -1.815 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.949 -3.385 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.165 -1.810 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.733 -3.205 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.621 -4.240 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.479 -4.098 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.063 -3.292 -7.095 1.00 0.00 H new ATOM 1673 N ALA A 110 8.361 1.260 -8.677 1.00 0.00 N ATOM 1674 CA ALA A 110 7.758 2.196 -9.616 1.00 0.00 C ATOM 1675 C ALA A 110 8.622 2.358 -10.860 1.00 0.00 C ATOM 1676 O ALA A 110 8.108 2.421 -11.974 1.00 0.00 O ATOM 1677 CB ALA A 110 7.523 3.546 -8.954 1.00 0.00 C ATOM 0 H ALA A 110 8.684 1.685 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 110 6.795 1.787 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.072 4.230 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.854 3.422 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.474 3.954 -8.612 1.00 0.00 H new ATOM 1683 N SER A 111 9.939 2.406 -10.672 1.00 0.00 N ATOM 1684 CA SER A 111 10.856 2.582 -11.793 1.00 0.00 C ATOM 1685 C SER A 111 10.947 1.312 -12.644 1.00 0.00 C ATOM 1686 O SER A 111 11.480 1.335 -13.752 1.00 0.00 O ATOM 1687 CB SER A 111 12.240 3.010 -11.294 1.00 0.00 C ATOM 1688 OG SER A 111 12.719 2.156 -10.265 1.00 0.00 O ATOM 0 H SER A 111 10.391 2.326 -9.761 1.00 0.00 H new ATOM 0 HA SER A 111 10.461 3.374 -12.429 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.944 3.005 -12.127 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.192 4.034 -10.923 1.00 0.00 H new ATOM 0 HG SER A 111 12.147 1.362 -10.206 1.00 0.00 H new ATOM 1694 N GLU A 112 10.422 0.208 -12.123 1.00 0.00 N ATOM 1695 CA GLU A 112 10.341 -1.030 -12.874 1.00 0.00 C ATOM 1696 C GLU A 112 9.130 -1.016 -13.799 1.00 0.00 C ATOM 1697 O GLU A 112 8.977 -1.894 -14.648 1.00 0.00 O ATOM 1698 CB GLU A 112 10.245 -2.214 -11.916 1.00 0.00 C ATOM 1699 CG GLU A 112 11.566 -2.604 -11.280 1.00 0.00 C ATOM 1700 CD GLU A 112 12.589 -3.063 -12.299 1.00 0.00 C ATOM 1701 OE1 GLU A 112 12.524 -4.235 -12.728 1.00 0.00 O ATOM 1702 OE2 GLU A 112 13.463 -2.254 -12.679 1.00 0.00 O ATOM 0 H GLU A 112 10.045 0.150 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 112 11.242 -1.128 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.532 -1.973 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.846 -3.073 -12.456 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.965 -1.753 -10.728 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.396 -3.401 -10.557 1.00 0.00 H new ATOM 1709 N GLY A 113 8.271 -0.014 -13.628 1.00 0.00 N ATOM 1710 CA GLY A 113 7.043 0.049 -14.394 1.00 0.00 C ATOM 1711 C GLY A 113 6.160 -1.145 -14.112 1.00 0.00 C ATOM 1712 O GLY A 113 5.604 -1.753 -15.027 1.00 0.00 O ATOM 0 H GLY A 113 8.406 0.755 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.507 0.966 -14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.277 0.088 -15.458 1.00 0.00 H new ATOM 1716 N ARG A 114 6.047 -1.483 -12.838 1.00 0.00 N ATOM 1717 CA ARG A 114 5.344 -2.681 -12.417 1.00 0.00 C ATOM 1718 C ARG A 114 4.144 -2.307 -11.555 1.00 0.00 C ATOM 1719 O ARG A 114 4.188 -1.318 -10.826 1.00 0.00 O ATOM 1720 CB ARG A 114 6.318 -3.577 -11.647 1.00 0.00 C ATOM 1721 CG ARG A 114 5.827 -4.993 -11.404 1.00 0.00 C ATOM 1722 CD ARG A 114 6.967 -5.877 -10.924 1.00 0.00 C ATOM 1723 NE ARG A 114 6.548 -7.260 -10.709 1.00 0.00 N ATOM 1724 CZ ARG A 114 6.639 -8.223 -11.626 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.115 -7.957 -12.840 1.00 0.00 N ATOM 1726 NH2 ARG A 114 6.260 -9.454 -11.321 1.00 0.00 N ATOM 0 H ARG A 114 6.438 -0.937 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 114 4.972 -3.223 -13.286 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.258 -3.623 -12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.533 -3.112 -10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.028 -4.985 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.405 -5.401 -12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.774 -5.855 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.369 -5.474 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 114 6.161 -7.505 -9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.414 -7.010 -13.075 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.181 -8.700 -13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.901 -9.661 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.327 -10.196 -12.018 1.00 0.00 H new ATOM 1740 N ARG A 115 3.069 -3.080 -11.662 1.00 0.00 N ATOM 1741 CA ARG A 115 1.856 -2.810 -10.897 1.00 0.00 C ATOM 1742 C ARG A 115 2.076 -3.011 -9.400 1.00 0.00 C ATOM 1743 O ARG A 115 2.024 -4.134 -8.887 1.00 0.00 O ATOM 1744 CB ARG A 115 0.695 -3.677 -11.385 1.00 0.00 C ATOM 1745 CG ARG A 115 0.045 -3.165 -12.661 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.087 -4.072 -13.111 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.902 -3.471 -14.165 1.00 0.00 N ATOM 1748 CZ ARG A 115 -2.545 -4.175 -15.097 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -2.390 -5.492 -15.168 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -3.327 -3.560 -15.972 1.00 0.00 N ATOM 0 H ARG A 115 3.012 -3.897 -12.270 1.00 0.00 H new ATOM 0 HA ARG A 115 1.600 -1.763 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.056 -4.691 -11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.060 -3.734 -10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.338 -2.158 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.794 -3.097 -13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.672 -5.014 -13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.721 -4.308 -12.256 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.984 -2.455 -14.189 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.777 -5.970 -14.508 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.884 -6.026 -15.883 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.438 -2.547 -15.933 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.818 -4.100 -16.685 1.00 0.00 H new ATOM 1764 N VAL A 116 2.334 -1.911 -8.715 1.00 0.00 N ATOM 1765 CA VAL A 116 2.511 -1.917 -7.275 1.00 0.00 C ATOM 1766 C VAL A 116 1.478 -1.006 -6.617 1.00 0.00 C ATOM 1767 O VAL A 116 1.201 0.092 -7.103 1.00 0.00 O ATOM 1768 CB VAL A 116 3.944 -1.478 -6.877 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.280 -0.107 -7.450 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.114 -1.485 -5.363 1.00 0.00 C ATOM 0 H VAL A 116 2.427 -0.989 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 116 2.366 -2.938 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 116 4.642 -2.199 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.291 0.173 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.217 -0.142 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.573 0.630 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.127 -1.174 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.399 -0.796 -4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.937 -2.491 -4.982 1.00 0.00 H new ATOM 1780 N ALA A 117 0.885 -1.482 -5.537 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.091 -0.699 -4.801 1.00 0.00 C ATOM 1782 C ALA A 117 0.519 -0.186 -3.507 1.00 0.00 C ATOM 1783 O ALA A 117 0.713 -0.949 -2.563 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.333 -1.530 -4.512 1.00 0.00 C ATOM 0 H ALA A 117 1.063 -2.409 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.385 0.155 -5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.054 -0.927 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.778 -1.858 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.058 -2.401 -3.918 1.00 0.00 H new ATOM 1790 N LEU A 118 0.835 1.098 -3.470 1.00 0.00 N ATOM 1791 CA LEU A 118 1.412 1.693 -2.275 1.00 0.00 C ATOM 1792 C LEU A 118 0.308 2.169 -1.341 1.00 0.00 C ATOM 1793 O LEU A 118 -0.303 3.213 -1.561 1.00 0.00 O ATOM 1794 CB LEU A 118 2.331 2.862 -2.638 1.00 0.00 C ATOM 1795 CG LEU A 118 3.020 3.542 -1.452 1.00 0.00 C ATOM 1796 CD1 LEU A 118 3.958 2.572 -0.749 1.00 0.00 C ATOM 1797 CD2 LEU A 118 3.775 4.780 -1.913 1.00 0.00 C ATOM 0 H LEU A 118 0.703 1.745 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 118 2.006 0.933 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.097 2.502 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.747 3.609 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 118 2.254 3.852 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.438 3.074 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.390 1.717 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.719 2.229 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.259 5.251 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.531 4.494 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.077 5.483 -2.368 1.00 0.00 H new ATOM 1809 N ALA A 119 0.045 1.382 -0.313 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.958 1.731 0.676 1.00 0.00 C ATOM 1811 C ALA A 119 -0.310 2.476 1.832 1.00 0.00 C ATOM 1812 O ALA A 119 0.241 1.866 2.750 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.681 0.486 1.167 1.00 0.00 C ATOM 0 H ALA A 119 0.515 0.493 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.697 2.386 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.429 0.768 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.170 -0.006 0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.962 -0.198 1.619 1.00 0.00 H new ATOM 1819 N MET A 120 -0.350 3.796 1.764 1.00 0.00 N ATOM 1820 CA MET A 120 0.260 4.630 2.785 1.00 0.00 C ATOM 1821 C MET A 120 -0.736 4.956 3.882 1.00 0.00 C ATOM 1822 O MET A 120 -1.674 5.724 3.677 1.00 0.00 O ATOM 1823 CB MET A 120 0.801 5.926 2.178 1.00 0.00 C ATOM 1824 CG MET A 120 2.170 5.785 1.535 1.00 0.00 C ATOM 1825 SD MET A 120 3.480 5.488 2.742 1.00 0.00 S ATOM 1826 CE MET A 120 4.921 5.468 1.678 1.00 0.00 C ATOM 0 H MET A 120 -0.800 4.314 1.010 1.00 0.00 H new ATOM 0 HA MET A 120 1.089 4.070 3.217 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.095 6.286 1.430 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.854 6.686 2.958 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.148 4.963 0.819 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.398 6.691 0.973 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.789 5.823 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.104 4.451 1.332 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.749 6.118 0.820 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.537 4.347 5.036 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.307 4.675 6.217 1.00 0.00 C ATOM 1838 C ILE A 121 -0.412 5.439 7.180 1.00 0.00 C ATOM 1839 O ILE A 121 0.354 4.840 7.932 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.857 3.414 6.923 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.693 2.569 5.957 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.686 3.805 8.140 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -3.211 1.280 6.568 1.00 0.00 C ATOM 0 H ILE A 121 0.159 3.615 5.179 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.162 5.278 5.911 1.00 0.00 H new ATOM 0 HB ILE A 121 -1.010 2.814 7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.539 3.161 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.089 2.329 5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.066 2.906 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.063 4.361 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.523 4.428 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.794 0.734 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.370 0.667 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.842 1.512 7.426 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.464 6.759 7.116 1.00 0.00 N ATOM 1856 CA VAL A 122 0.383 7.586 7.961 1.00 0.00 C ATOM 1857 C VAL A 122 -0.446 8.585 8.754 1.00 0.00 C ATOM 1858 O VAL A 122 -1.675 8.606 8.658 1.00 0.00 O ATOM 1859 CB VAL A 122 1.466 8.334 7.144 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.447 7.350 6.525 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.838 9.205 6.067 1.00 0.00 C ATOM 0 H VAL A 122 -1.080 7.279 6.491 1.00 0.00 H new ATOM 0 HA VAL A 122 0.888 6.913 8.653 1.00 0.00 H new ATOM 0 HB VAL A 122 2.011 8.984 7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.199 7.896 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 122 2.934 6.777 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.911 6.671 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.623 9.717 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.258 8.581 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.182 9.942 6.531 1.00 0.00 H new ATOM 1871 N GLY A 123 0.234 9.399 9.544 1.00 0.00 N ATOM 1872 CA GLY A 123 -0.444 10.377 10.363 1.00 0.00 C ATOM 1873 C GLY A 123 -0.614 9.899 11.785 1.00 0.00 C ATOM 1874 O GLY A 123 0.320 9.962 12.587 1.00 0.00 O ATOM 0 H GLY A 123 1.250 9.399 9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.121 11.309 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.422 10.595 9.934 1.00 0.00 H new