USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=17 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 Single : A 21 HIS : no HE2:sc= 0.717 K(o=0.72,f=-4.4!) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00127) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 32 SER OG : rot -100:sc= 0.44 USER MOD Single : A 36 MET CE :methyl 157:sc= -0.155 (180deg=-0.788) USER MOD Single : A 43 HIS : no HD1:sc= -0.0464 X(o=-0.046,f=-0.35) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-2.1!) USER MOD Single : A 57 MET CE :methyl -162:sc= -0.109 (180deg=-0.491) USER MOD Single : A 64 ASN : amide:sc= 0.194 X(o=0.19,f=-0.3) USER MOD Single : A 72 THR OG1 : rot 77:sc= -1.29! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 77 GLN : amide:sc= -0.065 K(o=-0.065,f=-0.65) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 87 CYS SG : rot -44:sc= -2.21! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -136:sc= -1.52 (180deg=-3.97!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 99 ASN : amide:sc= 0.568 K(o=0.57,f=-7.2!) USER MOD Single : A 105 THR OG1 : rot -32:sc= 0.0408 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 111 SER OG : rot 71:sc= 1.23 USER MOD Single : A 120 MET CE :methyl 168:sc= -1.2 (180deg=-1.66) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.327 12.949 -2.070 1.00 0.00 N ATOM 229 CA ARG A 15 10.739 12.977 -1.698 1.00 0.00 C ATOM 230 C ARG A 15 10.941 13.168 -0.196 1.00 0.00 C ATOM 231 O ARG A 15 12.075 13.255 0.276 1.00 0.00 O ATOM 232 CB ARG A 15 11.472 14.075 -2.470 1.00 0.00 C ATOM 233 CG ARG A 15 10.837 15.452 -2.354 1.00 0.00 C ATOM 234 CD ARG A 15 11.690 16.505 -3.043 1.00 0.00 C ATOM 235 NE ARG A 15 13.017 16.599 -2.437 1.00 0.00 N ATOM 236 CZ ARG A 15 14.161 16.480 -3.109 1.00 0.00 C ATOM 237 NH1 ARG A 15 14.154 16.276 -4.423 1.00 0.00 N ATOM 238 NH2 ARG A 15 15.315 16.563 -2.461 1.00 0.00 N ATOM 0 HA ARG A 15 11.158 12.006 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.500 14.130 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.516 13.795 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.842 15.436 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.712 15.711 -1.303 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.788 16.260 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.193 17.473 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 15 13.071 16.767 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.268 16.210 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.035 16.186 -4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.324 16.717 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 15 16.194 16.473 -2.971 1.00 0.00 H new ATOM 252 N ALA A 16 9.853 13.224 0.552 1.00 0.00 N ATOM 253 CA ALA A 16 9.937 13.377 1.996 1.00 0.00 C ATOM 254 C ALA A 16 8.896 12.513 2.692 1.00 0.00 C ATOM 255 O ALA A 16 7.704 12.820 2.675 1.00 0.00 O ATOM 256 CB ALA A 16 9.777 14.838 2.388 1.00 0.00 C ATOM 0 H ALA A 16 8.903 13.166 0.186 1.00 0.00 H new ATOM 0 HA ALA A 16 10.923 13.043 2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.843 14.933 3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.567 15.428 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.806 15.201 2.050 1.00 0.00 H new ATOM 262 N ALA A 17 9.352 11.422 3.279 1.00 0.00 N ATOM 263 CA ALA A 17 8.481 10.529 4.027 1.00 0.00 C ATOM 264 C ALA A 17 9.170 10.109 5.317 1.00 0.00 C ATOM 265 O ALA A 17 10.174 9.396 5.286 1.00 0.00 O ATOM 266 CB ALA A 17 8.119 9.312 3.188 1.00 0.00 C ATOM 0 H ALA A 17 10.329 11.130 3.253 1.00 0.00 H new ATOM 0 HA ALA A 17 7.558 11.053 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.467 8.655 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.603 9.634 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.027 8.775 2.916 1.00 0.00 H new ATOM 272 N ASP A 18 8.643 10.558 6.447 1.00 0.00 N ATOM 273 CA ASP A 18 9.301 10.324 7.725 1.00 0.00 C ATOM 274 C ASP A 18 8.293 9.996 8.823 1.00 0.00 C ATOM 275 O ASP A 18 8.034 10.810 9.713 1.00 0.00 O ATOM 276 CB ASP A 18 10.147 11.542 8.113 1.00 0.00 C ATOM 277 CG ASP A 18 10.895 11.354 9.419 1.00 0.00 C ATOM 278 OD1 ASP A 18 11.489 10.277 9.626 1.00 0.00 O ATOM 279 OD2 ASP A 18 10.913 12.304 10.239 1.00 0.00 O ATOM 0 H ASP A 18 7.770 11.082 6.506 1.00 0.00 H new ATOM 0 HA ASP A 18 9.955 9.459 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.863 11.748 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.500 12.416 8.194 1.00 0.00 H new ATOM 284 N GLY A 19 7.682 8.824 8.708 1.00 0.00 N ATOM 285 CA GLY A 19 6.854 8.286 9.774 1.00 0.00 C ATOM 286 C GLY A 19 5.525 9.000 9.948 1.00 0.00 C ATOM 287 O GLY A 19 4.474 8.486 9.558 1.00 0.00 O ATOM 0 H GLY A 19 7.746 8.228 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.664 7.231 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.408 8.339 10.711 1.00 0.00 H new ATOM 291 N ARG A 20 5.572 10.185 10.538 1.00 0.00 N ATOM 292 CA ARG A 20 4.362 10.905 10.910 1.00 0.00 C ATOM 293 C ARG A 20 3.983 11.945 9.862 1.00 0.00 C ATOM 294 O ARG A 20 2.928 12.570 9.950 1.00 0.00 O ATOM 295 CB ARG A 20 4.552 11.573 12.270 1.00 0.00 C ATOM 296 CG ARG A 20 4.985 10.599 13.353 1.00 0.00 C ATOM 297 CD ARG A 20 5.114 11.275 14.705 1.00 0.00 C ATOM 298 NE ARG A 20 5.584 10.342 15.728 1.00 0.00 N ATOM 299 CZ ARG A 20 4.778 9.662 16.538 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.462 9.803 16.441 1.00 0.00 N ATOM 301 NH2 ARG A 20 5.289 8.833 17.441 1.00 0.00 N ATOM 0 H ARG A 20 6.438 10.670 10.770 1.00 0.00 H new ATOM 0 HA ARG A 20 3.547 10.184 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.298 12.363 12.180 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.618 12.049 12.569 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.261 9.787 13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.940 10.152 13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.807 12.113 14.629 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.149 11.685 15.001 1.00 0.00 H new ATOM 0 HE ARG A 20 6.590 10.205 15.826 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.067 10.434 15.744 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.846 9.280 17.063 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.300 8.718 17.513 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.671 8.311 18.062 1.00 0.00 H new ATOM 315 N HIS A 21 4.845 12.135 8.877 1.00 0.00 N ATOM 316 CA HIS A 21 4.570 13.067 7.790 1.00 0.00 C ATOM 317 C HIS A 21 4.946 12.458 6.454 1.00 0.00 C ATOM 318 O HIS A 21 5.861 11.637 6.362 1.00 0.00 O ATOM 319 CB HIS A 21 5.325 14.387 7.972 1.00 0.00 C ATOM 320 CG HIS A 21 4.566 15.455 8.708 1.00 0.00 C ATOM 321 ND1 HIS A 21 3.602 15.200 9.663 1.00 0.00 N ATOM 322 CD2 HIS A 21 4.626 16.804 8.596 1.00 0.00 C ATOM 323 CE1 HIS A 21 3.106 16.343 10.103 1.00 0.00 C ATOM 324 NE2 HIS A 21 3.712 17.330 9.470 1.00 0.00 N ATOM 0 H HIS A 21 5.743 11.657 8.805 1.00 0.00 H new ATOM 0 HA HIS A 21 3.500 13.273 7.810 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.253 14.187 8.508 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.600 14.769 6.989 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.317 14.273 9.980 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.276 17.362 7.938 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.336 16.451 10.853 1.00 0.00 H new ATOM 333 N ALA A 22 4.242 12.886 5.427 1.00 0.00 N ATOM 334 CA ALA A 22 4.467 12.417 4.070 1.00 0.00 C ATOM 335 C ALA A 22 4.218 13.553 3.089 1.00 0.00 C ATOM 336 O ALA A 22 3.112 14.087 3.016 1.00 0.00 O ATOM 337 CB ALA A 22 3.564 11.233 3.757 1.00 0.00 C ATOM 0 H ALA A 22 3.492 13.573 5.508 1.00 0.00 H new ATOM 0 HA ALA A 22 5.501 12.087 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.747 10.896 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.776 10.420 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.521 11.534 3.858 1.00 0.00 H new ATOM 343 N LYS A 23 5.252 13.929 2.352 1.00 0.00 N ATOM 344 CA LYS A 23 5.165 15.057 1.439 1.00 0.00 C ATOM 345 C LYS A 23 4.748 14.596 0.047 1.00 0.00 C ATOM 346 O LYS A 23 5.583 14.183 -0.763 1.00 0.00 O ATOM 347 CB LYS A 23 6.514 15.779 1.362 1.00 0.00 C ATOM 348 CG LYS A 23 6.479 17.087 0.584 1.00 0.00 C ATOM 349 CD LYS A 23 7.886 17.578 0.270 1.00 0.00 C ATOM 350 CE LYS A 23 7.883 18.964 -0.359 1.00 0.00 C ATOM 351 NZ LYS A 23 7.604 20.030 0.638 1.00 0.00 N ATOM 0 H LYS A 23 6.162 13.468 2.369 1.00 0.00 H new ATOM 0 HA LYS A 23 4.409 15.745 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.863 15.981 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.243 15.114 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.924 16.947 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.948 17.843 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.475 17.598 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.372 16.875 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.849 19.151 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.133 19.002 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.628 20.958 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.664 19.877 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.324 20.001 1.388 1.00 0.00 H new ATOM 365 N VAL A 24 3.452 14.644 -0.211 1.00 0.00 N ATOM 366 CA VAL A 24 2.927 14.340 -1.529 1.00 0.00 C ATOM 367 C VAL A 24 2.906 15.617 -2.353 1.00 0.00 C ATOM 368 O VAL A 24 2.064 16.494 -2.133 1.00 0.00 O ATOM 369 CB VAL A 24 1.510 13.728 -1.453 1.00 0.00 C ATOM 370 CG1 VAL A 24 0.945 13.485 -2.843 1.00 0.00 C ATOM 371 CG2 VAL A 24 1.541 12.430 -0.658 1.00 0.00 C ATOM 0 H VAL A 24 2.743 14.892 0.479 1.00 0.00 H new ATOM 0 HA VAL A 24 3.572 13.599 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 24 0.858 14.438 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.053 13.054 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.888 14.430 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.594 12.796 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.537 12.008 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.210 11.721 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.898 12.631 0.352 1.00 0.00 H new ATOM 381 N ASN A 25 3.862 15.723 -3.271 1.00 0.00 N ATOM 382 CA ASN A 25 4.093 16.944 -4.042 1.00 0.00 C ATOM 383 C ASN A 25 4.576 18.058 -3.111 1.00 0.00 C ATOM 384 O ASN A 25 5.778 18.284 -2.975 1.00 0.00 O ATOM 385 CB ASN A 25 2.832 17.369 -4.810 1.00 0.00 C ATOM 386 CG ASN A 25 3.054 18.585 -5.691 1.00 0.00 C ATOM 387 OD1 ASN A 25 2.845 19.720 -5.268 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.480 18.353 -6.923 1.00 0.00 N ATOM 0 H ASN A 25 4.501 14.963 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 25 4.867 16.746 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.492 16.537 -5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.035 17.584 -4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.647 19.132 -7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.641 17.395 -7.235 1.00 0.00 H new ATOM 395 N GLU A 26 3.641 18.722 -2.448 1.00 0.00 N ATOM 396 CA GLU A 26 3.978 19.725 -1.447 1.00 0.00 C ATOM 397 C GLU A 26 2.975 19.674 -0.292 1.00 0.00 C ATOM 398 O GLU A 26 3.021 20.483 0.636 1.00 0.00 O ATOM 399 CB GLU A 26 3.997 21.118 -2.083 1.00 0.00 C ATOM 400 CG GLU A 26 4.572 22.196 -1.180 1.00 0.00 C ATOM 401 CD GLU A 26 4.495 23.570 -1.797 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.373 24.103 -1.930 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.556 24.127 -2.149 1.00 0.00 O ATOM 0 H GLU A 26 2.640 18.584 -2.585 1.00 0.00 H new ATOM 0 HA GLU A 26 4.971 19.512 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.580 21.079 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.980 21.394 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.034 22.196 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.612 21.960 -0.955 1.00 0.00 H new ATOM 410 N GLN A 27 2.089 18.693 -0.334 1.00 0.00 N ATOM 411 CA GLN A 27 1.021 18.591 0.645 1.00 0.00 C ATOM 412 C GLN A 27 1.257 17.399 1.562 1.00 0.00 C ATOM 413 O GLN A 27 1.603 16.309 1.102 1.00 0.00 O ATOM 414 CB GLN A 27 -0.327 18.473 -0.067 1.00 0.00 C ATOM 415 CG GLN A 27 -0.671 19.703 -0.893 1.00 0.00 C ATOM 416 CD GLN A 27 -1.896 19.508 -1.763 1.00 0.00 C ATOM 417 OE1 GLN A 27 -2.798 18.739 -1.431 1.00 0.00 O ATOM 418 NE2 GLN A 27 -1.943 20.217 -2.880 1.00 0.00 N ATOM 0 H GLN A 27 2.089 17.954 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 27 1.011 19.492 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.313 17.598 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.110 18.308 0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.838 20.548 -0.225 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.180 19.959 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.174 20.843 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.748 20.137 -3.501 1.00 0.00 H new ATOM 427 N ILE A 28 1.089 17.615 2.855 1.00 0.00 N ATOM 428 CA ILE A 28 1.341 16.577 3.837 1.00 0.00 C ATOM 429 C ILE A 28 0.100 15.723 4.069 1.00 0.00 C ATOM 430 O ILE A 28 -0.925 16.209 4.549 1.00 0.00 O ATOM 431 CB ILE A 28 1.806 17.173 5.185 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.088 17.995 4.999 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.025 16.067 6.210 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.263 17.195 4.475 1.00 0.00 C ATOM 0 H ILE A 28 0.778 18.503 3.249 1.00 0.00 H new ATOM 0 HA ILE A 28 2.137 15.951 3.434 1.00 0.00 H new ATOM 0 HB ILE A 28 1.024 17.836 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.885 18.815 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.363 18.441 5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.352 16.505 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.092 15.525 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.788 15.379 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.130 17.847 4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.496 16.391 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.010 16.771 3.503 1.00 0.00 H new ATOM 446 N LEU A 29 0.201 14.455 3.714 1.00 0.00 N ATOM 447 CA LEU A 29 -0.861 13.496 3.978 1.00 0.00 C ATOM 448 C LEU A 29 -0.622 12.840 5.334 1.00 0.00 C ATOM 449 O LEU A 29 0.397 12.184 5.540 1.00 0.00 O ATOM 450 CB LEU A 29 -0.925 12.434 2.872 1.00 0.00 C ATOM 451 CG LEU A 29 -1.697 12.825 1.598 1.00 0.00 C ATOM 452 CD1 LEU A 29 -3.176 12.994 1.895 1.00 0.00 C ATOM 453 CD2 LEU A 29 -1.139 14.099 0.977 1.00 0.00 C ATOM 0 H LEU A 29 1.013 14.061 3.239 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.817 14.020 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.095 12.173 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.381 11.535 3.286 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.572 12.015 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.701 13.270 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.580 12.056 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.310 13.777 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.707 14.346 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.218 14.917 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.092 13.947 0.713 1.00 0.00 H new ATOM 465 N GLN A 30 -1.546 13.045 6.263 1.00 0.00 N ATOM 466 CA GLN A 30 -1.375 12.550 7.625 1.00 0.00 C ATOM 467 C GLN A 30 -2.233 11.321 7.909 1.00 0.00 C ATOM 468 O GLN A 30 -2.211 10.798 9.022 1.00 0.00 O ATOM 469 CB GLN A 30 -1.713 13.646 8.638 1.00 0.00 C ATOM 470 CG GLN A 30 -0.775 14.839 8.593 1.00 0.00 C ATOM 471 CD GLN A 30 -1.130 15.883 9.631 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.643 15.843 10.763 1.00 0.00 O ATOM 473 NE2 GLN A 30 -1.979 16.825 9.254 1.00 0.00 N ATOM 0 H GLN A 30 -2.418 13.548 6.101 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.329 12.260 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.731 13.991 8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.693 13.219 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.249 14.501 8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.809 15.289 7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.358 16.821 8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.254 17.556 9.910 1.00 0.00 H new ATOM 482 N GLN A 31 -2.996 10.857 6.926 1.00 0.00 N ATOM 483 CA GLN A 31 -3.845 9.691 7.143 1.00 0.00 C ATOM 484 C GLN A 31 -3.511 8.553 6.185 1.00 0.00 C ATOM 485 O GLN A 31 -2.716 7.677 6.512 1.00 0.00 O ATOM 486 CB GLN A 31 -5.332 10.046 7.043 1.00 0.00 C ATOM 487 CG GLN A 31 -5.791 11.040 8.097 1.00 0.00 C ATOM 488 CD GLN A 31 -7.274 10.939 8.392 1.00 0.00 C ATOM 489 OE1 GLN A 31 -8.071 10.555 7.534 1.00 0.00 O ATOM 490 NE2 GLN A 31 -7.655 11.280 9.612 1.00 0.00 N ATOM 0 H GLN A 31 -3.045 11.260 5.990 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.641 9.348 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.533 10.458 6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.922 9.134 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.230 10.873 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.560 12.051 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.964 11.593 10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.640 11.230 9.871 1.00 0.00 H new ATOM 499 N SER A 32 -4.110 8.559 5.004 1.00 0.00 N ATOM 500 CA SER A 32 -3.941 7.453 4.075 1.00 0.00 C ATOM 501 C SER A 32 -4.026 7.930 2.630 1.00 0.00 C ATOM 502 O SER A 32 -4.703 8.916 2.334 1.00 0.00 O ATOM 503 CB SER A 32 -5.019 6.396 4.325 1.00 0.00 C ATOM 504 OG SER A 32 -5.157 6.116 5.710 1.00 0.00 O ATOM 0 H SER A 32 -4.712 9.311 4.668 1.00 0.00 H new ATOM 0 HA SER A 32 -2.954 7.022 4.239 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.972 6.744 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.765 5.481 3.791 1.00 0.00 H new ATOM 0 HG SER A 32 -4.679 5.288 5.926 1.00 0.00 H new ATOM 510 N PHE A 33 -3.319 7.236 1.747 1.00 0.00 N ATOM 511 CA PHE A 33 -3.416 7.479 0.314 1.00 0.00 C ATOM 512 C PHE A 33 -2.837 6.299 -0.456 1.00 0.00 C ATOM 513 O PHE A 33 -1.888 5.657 0.003 1.00 0.00 O ATOM 514 CB PHE A 33 -2.704 8.784 -0.086 1.00 0.00 C ATOM 515 CG PHE A 33 -1.218 8.798 0.166 1.00 0.00 C ATOM 516 CD1 PHE A 33 -0.712 9.156 1.406 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.328 8.470 -0.846 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.650 9.184 1.633 1.00 0.00 C ATOM 519 CE2 PHE A 33 1.036 8.492 -0.623 1.00 0.00 C ATOM 520 CZ PHE A 33 1.526 8.851 0.617 1.00 0.00 C ATOM 0 H PHE A 33 -2.667 6.494 2.002 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.471 7.588 0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.880 8.967 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.158 9.611 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.391 9.416 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.705 8.194 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.030 9.466 2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.718 8.229 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.591 8.872 0.793 1.00 0.00 H new ATOM 530 N ILE A 34 -3.422 5.999 -1.607 1.00 0.00 N ATOM 531 CA ILE A 34 -2.932 4.917 -2.451 1.00 0.00 C ATOM 532 C ILE A 34 -2.132 5.480 -3.613 1.00 0.00 C ATOM 533 O ILE A 34 -2.684 6.151 -4.487 1.00 0.00 O ATOM 534 CB ILE A 34 -4.078 4.051 -3.016 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.984 3.553 -1.890 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.513 2.874 -3.804 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.189 2.779 -2.383 1.00 0.00 C ATOM 0 H ILE A 34 -4.236 6.489 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.303 4.288 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.675 4.667 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.403 2.918 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.325 4.407 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.333 2.272 -4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.908 3.246 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.894 2.261 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.787 2.456 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.792 3.417 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.856 1.906 -2.944 1.00 0.00 H new ATOM 549 N LEU A 35 -0.839 5.216 -3.616 1.00 0.00 N ATOM 550 CA LEU A 35 0.027 5.683 -4.683 1.00 0.00 C ATOM 551 C LEU A 35 0.406 4.525 -5.597 1.00 0.00 C ATOM 552 O LEU A 35 0.923 3.503 -5.146 1.00 0.00 O ATOM 553 CB LEU A 35 1.282 6.339 -4.102 1.00 0.00 C ATOM 554 CG LEU A 35 2.262 6.908 -5.133 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.587 7.965 -5.995 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.481 7.487 -4.436 1.00 0.00 C ATOM 0 H LEU A 35 -0.364 4.680 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.511 6.428 -5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.975 7.144 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.808 5.603 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 35 2.585 6.096 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.302 8.355 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.743 7.520 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.232 8.778 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.169 7.888 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.170 8.285 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.980 6.704 -3.865 1.00 0.00 H new ATOM 568 N MET A 36 0.113 4.680 -6.877 1.00 0.00 N ATOM 569 CA MET A 36 0.461 3.682 -7.876 1.00 0.00 C ATOM 570 C MET A 36 1.050 4.373 -9.099 1.00 0.00 C ATOM 571 O MET A 36 0.863 5.577 -9.273 1.00 0.00 O ATOM 572 CB MET A 36 -0.777 2.869 -8.280 1.00 0.00 C ATOM 573 CG MET A 36 -1.362 2.032 -7.154 1.00 0.00 C ATOM 574 SD MET A 36 -2.772 1.039 -7.684 1.00 0.00 S ATOM 575 CE MET A 36 -2.004 -0.013 -8.914 1.00 0.00 C ATOM 0 H MET A 36 -0.370 5.496 -7.252 1.00 0.00 H new ATOM 0 HA MET A 36 1.198 3.000 -7.452 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.543 3.552 -8.647 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.513 2.211 -9.108 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.589 1.375 -6.756 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.671 2.689 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.595 -0.920 -9.037 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.951 0.518 -9.865 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.997 -0.277 -8.590 1.00 0.00 H new ATOM 585 N PRO A 37 1.759 3.632 -9.971 1.00 0.00 N ATOM 586 CA PRO A 37 2.340 4.193 -11.203 1.00 0.00 C ATOM 587 C PRO A 37 1.283 4.536 -12.260 1.00 0.00 C ATOM 588 O PRO A 37 1.559 4.515 -13.461 1.00 0.00 O ATOM 589 CB PRO A 37 3.254 3.071 -11.703 1.00 0.00 C ATOM 590 CG PRO A 37 2.664 1.823 -11.145 1.00 0.00 C ATOM 591 CD PRO A 37 2.081 2.200 -9.812 1.00 0.00 C ATOM 0 HA PRO A 37 2.855 5.135 -11.013 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.285 3.041 -12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.279 3.212 -11.359 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.896 1.424 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.423 1.048 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.193 1.612 -9.581 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.791 2.036 -9.002 1.00 0.00 H new ATOM 599 N ASP A 38 0.082 4.870 -11.799 1.00 0.00 N ATOM 600 CA ASP A 38 -1.028 5.241 -12.672 1.00 0.00 C ATOM 601 C ASP A 38 -1.967 6.199 -11.951 1.00 0.00 C ATOM 602 O ASP A 38 -2.222 7.308 -12.418 1.00 0.00 O ATOM 603 CB ASP A 38 -1.829 4.012 -13.126 1.00 0.00 C ATOM 604 CG ASP A 38 -1.180 3.257 -14.268 1.00 0.00 C ATOM 605 OD1 ASP A 38 -1.264 3.727 -15.423 1.00 0.00 O ATOM 606 OD2 ASP A 38 -0.605 2.176 -14.019 1.00 0.00 O ATOM 0 H ASP A 38 -0.150 4.891 -10.806 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.600 5.723 -13.551 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.955 3.337 -12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.826 4.330 -13.431 1.00 0.00 H new ATOM 611 N GLU A 39 -2.468 5.766 -10.800 1.00 0.00 N ATOM 612 CA GLU A 39 -3.456 6.536 -10.056 1.00 0.00 C ATOM 613 C GLU A 39 -2.937 6.937 -8.681 1.00 0.00 C ATOM 614 O GLU A 39 -2.051 6.289 -8.119 1.00 0.00 O ATOM 615 CB GLU A 39 -4.742 5.721 -9.883 1.00 0.00 C ATOM 616 CG GLU A 39 -5.439 5.365 -11.185 1.00 0.00 C ATOM 617 CD GLU A 39 -5.899 6.584 -11.957 1.00 0.00 C ATOM 618 OE1 GLU A 39 -6.569 7.457 -11.363 1.00 0.00 O ATOM 619 OE2 GLU A 39 -5.613 6.663 -13.165 1.00 0.00 O ATOM 0 H GLU A 39 -2.205 4.883 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.660 7.441 -10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.506 4.801 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.434 6.285 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.761 4.781 -11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.299 4.731 -10.970 1.00 0.00 H new ATOM 626 N LEU A 40 -3.498 8.014 -8.155 1.00 0.00 N ATOM 627 CA LEU A 40 -3.268 8.423 -6.779 1.00 0.00 C ATOM 628 C LEU A 40 -4.610 8.566 -6.078 1.00 0.00 C ATOM 629 O LEU A 40 -5.348 9.523 -6.319 1.00 0.00 O ATOM 630 CB LEU A 40 -2.498 9.747 -6.711 1.00 0.00 C ATOM 631 CG LEU A 40 -2.316 10.314 -5.296 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.466 9.385 -4.443 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.703 11.705 -5.345 1.00 0.00 C ATOM 0 H LEU A 40 -4.126 8.630 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.663 7.663 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.515 9.603 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.020 10.486 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.302 10.391 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.352 9.809 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.952 8.412 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.484 9.267 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.584 12.086 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.729 11.656 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.357 12.371 -5.908 1.00 0.00 H new ATOM 645 N VAL A 41 -4.934 7.608 -5.230 1.00 0.00 N ATOM 646 CA VAL A 41 -6.221 7.608 -4.554 1.00 0.00 C ATOM 647 C VAL A 41 -6.140 8.393 -3.252 1.00 0.00 C ATOM 648 O VAL A 41 -5.634 7.898 -2.243 1.00 0.00 O ATOM 649 CB VAL A 41 -6.725 6.178 -4.267 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.145 6.208 -3.718 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.651 5.321 -5.523 1.00 0.00 C ATOM 0 H VAL A 41 -4.328 6.823 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.934 8.087 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.078 5.733 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.481 5.190 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.165 6.781 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.807 6.675 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.011 4.317 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.271 5.764 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.618 5.268 -5.867 1.00 0.00 H new ATOM 661 N GLU A 42 -6.612 9.631 -3.302 1.00 0.00 N ATOM 662 CA GLU A 42 -6.659 10.492 -2.130 1.00 0.00 C ATOM 663 C GLU A 42 -7.934 10.210 -1.345 1.00 0.00 C ATOM 664 O GLU A 42 -8.016 10.453 -0.140 1.00 0.00 O ATOM 665 CB GLU A 42 -6.650 11.963 -2.554 1.00 0.00 C ATOM 666 CG GLU A 42 -5.544 12.325 -3.533 1.00 0.00 C ATOM 667 CD GLU A 42 -5.778 13.675 -4.182 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.678 13.770 -5.043 1.00 0.00 O ATOM 669 OE2 GLU A 42 -5.077 14.650 -3.828 1.00 0.00 O ATOM 0 H GLU A 42 -6.971 10.065 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.786 10.291 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.612 12.205 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.550 12.585 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.587 12.335 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.478 11.558 -4.305 1.00 0.00 H new ATOM 676 N HIS A 43 -8.929 9.684 -2.049 1.00 0.00 N ATOM 677 CA HIS A 43 -10.243 9.433 -1.471 1.00 0.00 C ATOM 678 C HIS A 43 -10.286 8.053 -0.813 1.00 0.00 C ATOM 679 O HIS A 43 -11.222 7.280 -1.014 1.00 0.00 O ATOM 680 CB HIS A 43 -11.312 9.543 -2.570 1.00 0.00 C ATOM 681 CG HIS A 43 -12.719 9.672 -2.063 1.00 0.00 C ATOM 682 ND1 HIS A 43 -13.616 8.626 -2.043 1.00 0.00 N ATOM 683 CD2 HIS A 43 -13.385 10.744 -1.578 1.00 0.00 C ATOM 684 CE1 HIS A 43 -14.770 9.050 -1.566 1.00 0.00 C ATOM 685 NE2 HIS A 43 -14.658 10.331 -1.276 1.00 0.00 N ATOM 0 H HIS A 43 -8.849 9.421 -3.031 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.444 10.177 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.084 10.407 -3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.249 8.662 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.988 11.741 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.658 8.449 -1.435 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.397 10.919 -0.890 1.00 0.00 H new ATOM 694 N TRP A 44 -9.273 7.753 -0.015 1.00 0.00 N ATOM 695 CA TRP A 44 -9.196 6.470 0.670 1.00 0.00 C ATOM 696 C TRP A 44 -8.580 6.645 2.055 1.00 0.00 C ATOM 697 O TRP A 44 -7.369 6.525 2.226 1.00 0.00 O ATOM 698 CB TRP A 44 -8.377 5.475 -0.157 1.00 0.00 C ATOM 699 CG TRP A 44 -8.525 4.047 0.279 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.620 3.250 0.106 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.542 3.240 0.943 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.380 2.000 0.622 1.00 0.00 N ATOM 703 CE2 TRP A 44 -8.112 1.968 1.139 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.235 3.468 1.385 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.422 0.930 1.761 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.553 2.437 2.004 1.00 0.00 C ATOM 707 CH2 TRP A 44 -6.145 1.181 2.184 1.00 0.00 C ATOM 0 H TRP A 44 -8.492 8.380 0.175 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.205 6.076 0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.674 5.557 -1.203 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.325 5.753 -0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.541 3.558 -0.368 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.039 1.222 0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.767 4.431 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.879 -0.038 1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.545 2.603 2.355 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.583 0.395 2.666 1.00 0.00 H new ATOM 718 N PRO A 45 -9.409 6.982 3.055 1.00 0.00 N ATOM 719 CA PRO A 45 -8.961 7.165 4.425 1.00 0.00 C ATOM 720 C PRO A 45 -9.047 5.880 5.247 1.00 0.00 C ATOM 721 O PRO A 45 -10.058 5.168 5.214 1.00 0.00 O ATOM 722 CB PRO A 45 -9.936 8.214 4.954 1.00 0.00 C ATOM 723 CG PRO A 45 -11.203 8.008 4.179 1.00 0.00 C ATOM 724 CD PRO A 45 -10.853 7.235 2.925 1.00 0.00 C ATOM 0 HA PRO A 45 -7.913 7.457 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.105 8.089 6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.546 9.221 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.932 7.460 4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.656 8.966 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.417 6.305 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.079 7.809 2.026 1.00 0.00 H new ATOM 732 N VAL A 46 -7.974 5.568 5.962 1.00 0.00 N ATOM 733 CA VAL A 46 -7.954 4.415 6.848 1.00 0.00 C ATOM 734 C VAL A 46 -7.347 4.798 8.197 1.00 0.00 C ATOM 735 O VAL A 46 -6.132 4.947 8.321 1.00 0.00 O ATOM 736 CB VAL A 46 -7.153 3.236 6.247 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.225 2.017 7.151 1.00 0.00 C ATOM 738 CG2 VAL A 46 -7.657 2.891 4.857 1.00 0.00 C ATOM 0 H VAL A 46 -7.104 6.100 5.944 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.987 4.093 6.980 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.111 3.547 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.654 1.201 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.808 2.263 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.265 1.711 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.078 2.059 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.708 2.608 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.547 3.757 4.205 1.00 0.00 H new ATOM 748 N PRO A 47 -8.196 4.995 9.218 1.00 0.00 N ATOM 749 CA PRO A 47 -7.742 5.336 10.567 1.00 0.00 C ATOM 750 C PRO A 47 -7.046 4.161 11.248 1.00 0.00 C ATOM 751 O PRO A 47 -7.701 3.290 11.837 1.00 0.00 O ATOM 752 CB PRO A 47 -9.034 5.702 11.302 1.00 0.00 C ATOM 753 CG PRO A 47 -10.108 4.977 10.568 1.00 0.00 C ATOM 754 CD PRO A 47 -9.666 4.910 9.132 1.00 0.00 C ATOM 0 HA PRO A 47 -7.007 6.141 10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.994 5.397 12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.204 6.779 11.290 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.252 3.977 10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.061 5.499 10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.987 3.983 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.082 5.730 8.546 1.00 0.00 H new ATOM 762 N SER A 48 -5.717 4.128 11.129 1.00 0.00 N ATOM 763 CA SER A 48 -4.912 3.043 11.681 1.00 0.00 C ATOM 764 C SER A 48 -5.313 1.716 11.029 1.00 0.00 C ATOM 765 O SER A 48 -5.978 1.706 9.995 1.00 0.00 O ATOM 766 CB SER A 48 -5.092 2.979 13.203 1.00 0.00 C ATOM 767 OG SER A 48 -4.847 4.243 13.800 1.00 0.00 O ATOM 0 H SER A 48 -5.175 4.848 10.651 1.00 0.00 H new ATOM 0 HA SER A 48 -3.859 3.229 11.468 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.105 2.652 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.412 2.237 13.622 1.00 0.00 H new ATOM 0 HG SER A 48 -4.970 4.176 14.770 1.00 0.00 H new ATOM 773 N LEU A 49 -4.925 0.600 11.624 1.00 0.00 N ATOM 774 CA LEU A 49 -5.332 -0.701 11.104 1.00 0.00 C ATOM 775 C LEU A 49 -6.660 -1.121 11.720 1.00 0.00 C ATOM 776 O LEU A 49 -6.938 -2.310 11.886 1.00 0.00 O ATOM 777 CB LEU A 49 -4.261 -1.767 11.361 1.00 0.00 C ATOM 778 CG LEU A 49 -3.037 -1.693 10.443 1.00 0.00 C ATOM 779 CD1 LEU A 49 -2.099 -0.572 10.866 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.310 -3.027 10.424 1.00 0.00 C ATOM 0 H LEU A 49 -4.337 0.564 12.456 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.455 -0.609 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.926 -1.682 12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.717 -2.751 11.254 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.382 -1.472 9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.240 -0.544 10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.626 0.381 10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.758 -0.748 11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.443 -2.959 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.983 -3.277 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.982 -3.803 10.058 1.00 0.00 H new ATOM 792 N GLY A 50 -7.482 -0.130 12.048 1.00 0.00 N ATOM 793 CA GLY A 50 -8.784 -0.398 12.621 1.00 0.00 C ATOM 794 C GLY A 50 -9.800 -0.767 11.564 1.00 0.00 C ATOM 795 O GLY A 50 -10.431 -1.818 11.642 1.00 0.00 O ATOM 0 H GLY A 50 -7.266 0.859 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.702 -1.209 13.345 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.129 0.481 13.165 1.00 0.00 H new ATOM 799 N GLN A 51 -9.946 0.093 10.564 1.00 0.00 N ATOM 800 CA GLN A 51 -10.862 -0.171 9.463 1.00 0.00 C ATOM 801 C GLN A 51 -10.115 -0.727 8.260 1.00 0.00 C ATOM 802 O GLN A 51 -10.603 -0.665 7.129 1.00 0.00 O ATOM 803 CB GLN A 51 -11.627 1.091 9.063 1.00 0.00 C ATOM 804 CG GLN A 51 -12.766 1.439 10.007 1.00 0.00 C ATOM 805 CD GLN A 51 -13.703 2.472 9.416 1.00 0.00 C ATOM 806 OE1 GLN A 51 -14.660 2.130 8.719 1.00 0.00 O ATOM 807 NE2 GLN A 51 -13.448 3.739 9.694 1.00 0.00 N ATOM 0 H GLN A 51 -9.443 0.977 10.493 1.00 0.00 H new ATOM 0 HA GLN A 51 -11.581 -0.915 9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.932 1.929 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.027 0.960 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.327 0.536 10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.357 1.816 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.646 3.982 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.054 4.473 9.328 1.00 0.00 H new ATOM 816 N LEU A 52 -8.932 -1.273 8.499 1.00 0.00 N ATOM 817 CA LEU A 52 -8.177 -1.912 7.438 1.00 0.00 C ATOM 818 C LEU A 52 -8.694 -3.330 7.241 1.00 0.00 C ATOM 819 O LEU A 52 -8.127 -4.298 7.748 1.00 0.00 O ATOM 820 CB LEU A 52 -6.679 -1.918 7.746 1.00 0.00 C ATOM 821 CG LEU A 52 -5.791 -2.396 6.594 1.00 0.00 C ATOM 822 CD1 LEU A 52 -5.986 -1.511 5.372 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.330 -2.411 7.017 1.00 0.00 C ATOM 0 H LEU A 52 -8.479 -1.285 9.413 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.314 -1.345 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.375 -0.909 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.502 -2.556 8.612 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.081 -3.414 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.348 -1.864 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.029 -1.551 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.721 -0.483 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.714 -2.753 6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.024 -1.405 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.203 -3.085 7.864 1.00 0.00 H new ATOM 835 N GLN A 53 -9.801 -3.427 6.529 1.00 0.00 N ATOM 836 CA GLN A 53 -10.491 -4.689 6.339 1.00 0.00 C ATOM 837 C GLN A 53 -10.669 -4.971 4.850 1.00 0.00 C ATOM 838 O GLN A 53 -10.557 -4.056 4.030 1.00 0.00 O ATOM 839 CB GLN A 53 -11.848 -4.633 7.047 1.00 0.00 C ATOM 840 CG GLN A 53 -12.759 -3.534 6.522 1.00 0.00 C ATOM 841 CD GLN A 53 -13.969 -3.307 7.402 1.00 0.00 C ATOM 842 OE1 GLN A 53 -13.940 -2.483 8.314 1.00 0.00 O ATOM 843 NE2 GLN A 53 -15.039 -4.041 7.142 1.00 0.00 N ATOM 0 H GLN A 53 -10.247 -2.635 6.067 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.900 -5.498 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.349 -5.595 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.687 -4.482 8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.193 -2.606 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.090 -3.792 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.022 -4.714 6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.881 -3.934 7.708 1.00 0.00 H new ATOM 852 N PRO A 54 -10.941 -6.236 4.478 1.00 0.00 N ATOM 853 CA PRO A 54 -11.152 -6.629 3.078 1.00 0.00 C ATOM 854 C PRO A 54 -12.189 -5.760 2.368 1.00 0.00 C ATOM 855 O PRO A 54 -12.046 -5.455 1.187 1.00 0.00 O ATOM 856 CB PRO A 54 -11.648 -8.072 3.184 1.00 0.00 C ATOM 857 CG PRO A 54 -11.066 -8.574 4.458 1.00 0.00 C ATOM 858 CD PRO A 54 -11.038 -7.395 5.390 1.00 0.00 C ATOM 0 HA PRO A 54 -10.243 -6.516 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.737 -8.117 3.200 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.317 -8.669 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.668 -9.384 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.063 -8.971 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.937 -7.348 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.188 -7.442 6.071 1.00 0.00 H new ATOM 866 N ALA A 55 -13.221 -5.345 3.099 1.00 0.00 N ATOM 867 CA ALA A 55 -14.289 -4.527 2.528 1.00 0.00 C ATOM 868 C ALA A 55 -13.846 -3.082 2.301 1.00 0.00 C ATOM 869 O ALA A 55 -14.477 -2.339 1.552 1.00 0.00 O ATOM 870 CB ALA A 55 -15.521 -4.564 3.420 1.00 0.00 C ATOM 0 H ALA A 55 -13.341 -5.562 4.089 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.537 -4.951 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.307 -3.950 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.872 -5.592 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.267 -4.177 4.407 1.00 0.00 H new ATOM 876 N HIS A 56 -12.758 -2.683 2.949 1.00 0.00 N ATOM 877 CA HIS A 56 -12.245 -1.327 2.802 1.00 0.00 C ATOM 878 C HIS A 56 -11.131 -1.313 1.764 1.00 0.00 C ATOM 879 O HIS A 56 -10.862 -0.294 1.133 1.00 0.00 O ATOM 880 CB HIS A 56 -11.723 -0.799 4.145 1.00 0.00 C ATOM 881 CG HIS A 56 -11.736 0.698 4.262 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.732 1.387 4.914 1.00 0.00 N ATOM 883 CD2 HIS A 56 -10.861 1.636 3.824 1.00 0.00 C ATOM 884 CE1 HIS A 56 -12.476 2.680 4.872 1.00 0.00 C ATOM 885 NE2 HIS A 56 -11.344 2.863 4.219 1.00 0.00 N ATOM 0 H HIS A 56 -12.217 -3.276 3.578 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.055 -0.677 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.327 -1.221 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.703 -1.155 4.292 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.953 1.454 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -13.090 3.459 5.300 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.901 3.764 4.037 1.00 0.00 H new ATOM 894 N MET A 57 -10.479 -2.456 1.608 1.00 0.00 N ATOM 895 CA MET A 57 -9.420 -2.619 0.619 1.00 0.00 C ATOM 896 C MET A 57 -9.991 -3.233 -0.658 1.00 0.00 C ATOM 897 O MET A 57 -9.263 -3.534 -1.605 1.00 0.00 O ATOM 898 CB MET A 57 -8.307 -3.501 1.195 1.00 0.00 C ATOM 899 CG MET A 57 -7.067 -3.598 0.316 1.00 0.00 C ATOM 900 SD MET A 57 -5.824 -4.726 0.971 1.00 0.00 S ATOM 901 CE MET A 57 -5.436 -3.941 2.533 1.00 0.00 C ATOM 0 H MET A 57 -10.667 -3.293 2.160 1.00 0.00 H new ATOM 0 HA MET A 57 -8.999 -1.644 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.017 -3.110 2.170 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.702 -4.504 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.360 -3.929 -0.680 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.628 -2.606 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.483 -4.319 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.367 -2.862 2.391 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.221 -4.163 3.256 1.00 0.00 H new ATOM 911 N ASP A 58 -11.307 -3.399 -0.672 1.00 0.00 N ATOM 912 CA ASP A 58 -12.006 -4.069 -1.767 1.00 0.00 C ATOM 913 C ASP A 58 -11.720 -3.406 -3.111 1.00 0.00 C ATOM 914 O ASP A 58 -11.512 -4.088 -4.114 1.00 0.00 O ATOM 915 CB ASP A 58 -13.511 -4.081 -1.497 1.00 0.00 C ATOM 916 CG ASP A 58 -14.301 -4.754 -2.600 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.356 -6.000 -2.624 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.886 -4.035 -3.439 1.00 0.00 O ATOM 0 H ASP A 58 -11.922 -3.074 0.074 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.637 -5.093 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.702 -4.594 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.862 -3.056 -1.379 1.00 0.00 H new ATOM 923 N ALA A 59 -11.695 -2.076 -3.122 1.00 0.00 N ATOM 924 CA ALA A 59 -11.384 -1.324 -4.333 1.00 0.00 C ATOM 925 C ALA A 59 -10.007 -1.704 -4.869 1.00 0.00 C ATOM 926 O ALA A 59 -9.809 -1.836 -6.075 1.00 0.00 O ATOM 927 CB ALA A 59 -11.452 0.172 -4.056 1.00 0.00 C ATOM 0 H ALA A 59 -11.887 -1.497 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.125 -1.574 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.218 0.722 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.455 0.435 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.731 0.432 -3.281 1.00 0.00 H new ATOM 933 N VAL A 60 -9.066 -1.903 -3.956 1.00 0.00 N ATOM 934 CA VAL A 60 -7.709 -2.281 -4.324 1.00 0.00 C ATOM 935 C VAL A 60 -7.690 -3.712 -4.856 1.00 0.00 C ATOM 936 O VAL A 60 -6.987 -4.022 -5.816 1.00 0.00 O ATOM 937 CB VAL A 60 -6.747 -2.166 -3.119 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.311 -2.432 -3.541 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.872 -0.799 -2.463 1.00 0.00 C ATOM 0 H VAL A 60 -9.219 -1.808 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.371 -1.595 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.028 -2.924 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.655 -2.345 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.234 -3.437 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.013 -1.705 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.187 -0.737 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.624 -0.024 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.894 -0.655 -2.113 1.00 0.00 H new ATOM 949 N LEU A 61 -8.490 -4.571 -4.235 1.00 0.00 N ATOM 950 CA LEU A 61 -8.593 -5.965 -4.651 1.00 0.00 C ATOM 951 C LEU A 61 -9.247 -6.068 -6.026 1.00 0.00 C ATOM 952 O LEU A 61 -8.960 -6.988 -6.794 1.00 0.00 O ATOM 953 CB LEU A 61 -9.399 -6.767 -3.624 1.00 0.00 C ATOM 954 CG LEU A 61 -8.818 -6.782 -2.207 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.739 -7.534 -1.260 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.429 -7.406 -2.206 1.00 0.00 C ATOM 0 H LEU A 61 -9.079 -4.326 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.587 -6.380 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.409 -6.360 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.484 -7.795 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.734 -5.752 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.309 -7.534 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.714 -7.047 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.855 -8.561 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.032 -7.408 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.490 -8.430 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.770 -6.827 -2.852 1.00 0.00 H new ATOM 968 N ALA A 62 -10.125 -5.118 -6.326 1.00 0.00 N ATOM 969 CA ALA A 62 -10.785 -5.056 -7.624 1.00 0.00 C ATOM 970 C ALA A 62 -9.794 -4.670 -8.716 1.00 0.00 C ATOM 971 O ALA A 62 -9.869 -5.163 -9.842 1.00 0.00 O ATOM 972 CB ALA A 62 -11.940 -4.067 -7.583 1.00 0.00 C ATOM 0 H ALA A 62 -10.398 -4.375 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.180 -6.045 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.423 -4.031 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.663 -4.383 -6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.562 -3.077 -7.329 1.00 0.00 H new ATOM 978 N LEU A 63 -8.856 -3.793 -8.370 1.00 0.00 N ATOM 979 CA LEU A 63 -7.814 -3.371 -9.303 1.00 0.00 C ATOM 980 C LEU A 63 -6.731 -4.442 -9.418 1.00 0.00 C ATOM 981 O LEU A 63 -5.811 -4.315 -10.228 1.00 0.00 O ATOM 982 CB LEU A 63 -7.195 -2.045 -8.851 1.00 0.00 C ATOM 983 CG LEU A 63 -8.159 -0.859 -8.794 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.449 0.382 -8.278 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.765 -0.596 -10.166 1.00 0.00 C ATOM 0 H LEU A 63 -8.796 -3.360 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.270 -3.229 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.759 -2.185 -7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.378 -1.795 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.966 -1.105 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.151 1.215 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.064 0.191 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.622 0.631 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.448 0.251 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.971 -0.372 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.311 -1.479 -10.498 1.00 0.00 H new ATOM 997 N ASN A 64 -6.873 -5.480 -8.584 1.00 0.00 N ATOM 998 CA ASN A 64 -5.980 -6.650 -8.529 1.00 0.00 C ATOM 999 C ASN A 64 -4.523 -6.353 -8.905 1.00 0.00 C ATOM 1000 O ASN A 64 -4.097 -6.548 -10.044 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.550 -7.847 -9.328 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.035 -7.532 -10.743 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -8.068 -8.051 -11.175 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.291 -6.739 -11.492 1.00 0.00 N ATOM 0 H ASN A 64 -7.635 -5.533 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.948 -6.933 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.781 -8.617 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.381 -8.272 -8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.565 -6.542 -12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.442 -6.324 -11.108 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.744 -5.860 -7.935 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.318 -5.630 -8.103 1.00 0.00 C ATOM 1013 C PRO A 65 -1.514 -6.897 -7.823 1.00 0.00 C ATOM 1014 O PRO A 65 -2.076 -7.927 -7.449 1.00 0.00 O ATOM 1015 CB PRO A 65 -1.998 -4.548 -7.057 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.260 -4.327 -6.275 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.179 -5.473 -6.594 1.00 0.00 C ATOM 0 HA PRO A 65 -2.062 -5.334 -9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.187 -4.868 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.673 -3.626 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.050 -4.287 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.720 -3.377 -6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.072 -6.290 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.226 -5.171 -6.578 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.205 -6.819 -7.998 1.00 0.00 N ATOM 1026 CA ALA A 66 0.665 -7.953 -7.726 1.00 0.00 C ATOM 1027 C ALA A 66 1.096 -7.939 -6.270 1.00 0.00 C ATOM 1028 O ALA A 66 1.132 -8.975 -5.604 1.00 0.00 O ATOM 1029 CB ALA A 66 1.880 -7.924 -8.640 1.00 0.00 C ATOM 0 H ALA A 66 0.279 -5.983 -8.327 1.00 0.00 H new ATOM 0 HA ALA A 66 0.113 -8.873 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.519 -8.779 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.555 -7.969 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.438 -7.002 -8.474 1.00 0.00 H new ATOM 1035 N VAL A 67 1.404 -6.750 -5.778 1.00 0.00 N ATOM 1036 CA VAL A 67 1.813 -6.582 -4.399 1.00 0.00 C ATOM 1037 C VAL A 67 1.182 -5.326 -3.805 1.00 0.00 C ATOM 1038 O VAL A 67 1.224 -4.247 -4.401 1.00 0.00 O ATOM 1039 CB VAL A 67 3.357 -6.523 -4.266 1.00 0.00 C ATOM 1040 CG1 VAL A 67 3.948 -5.419 -5.133 1.00 0.00 C ATOM 1041 CG2 VAL A 67 3.769 -6.341 -2.812 1.00 0.00 C ATOM 0 H VAL A 67 1.377 -5.885 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 67 1.463 -7.451 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 67 3.754 -7.474 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.032 -5.405 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.698 -5.604 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.538 -4.457 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.856 -6.302 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.348 -5.412 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.398 -7.178 -2.221 1.00 0.00 H new ATOM 1051 N ILE A 68 0.562 -5.483 -2.650 1.00 0.00 N ATOM 1052 CA ILE A 68 -0.006 -4.360 -1.928 1.00 0.00 C ATOM 1053 C ILE A 68 0.926 -3.986 -0.787 1.00 0.00 C ATOM 1054 O ILE A 68 1.187 -4.797 0.103 1.00 0.00 O ATOM 1055 CB ILE A 68 -1.409 -4.690 -1.373 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -2.316 -5.206 -2.495 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -2.022 -3.459 -0.720 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -3.685 -5.652 -2.021 1.00 0.00 C ATOM 0 H ILE A 68 0.439 -6.385 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.115 -3.524 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.311 -5.471 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.438 -4.420 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.824 -6.042 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.011 -3.706 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.385 -3.126 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.110 -2.662 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.268 -6.004 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.574 -6.460 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.199 -4.813 -1.551 1.00 0.00 H new ATOM 1070 N LEU A 69 1.441 -2.769 -0.827 1.00 0.00 N ATOM 1071 CA LEU A 69 2.441 -2.335 0.129 1.00 0.00 C ATOM 1072 C LEU A 69 1.810 -1.426 1.174 1.00 0.00 C ATOM 1073 O LEU A 69 1.323 -0.341 0.858 1.00 0.00 O ATOM 1074 CB LEU A 69 3.579 -1.609 -0.600 1.00 0.00 C ATOM 1075 CG LEU A 69 4.974 -1.748 0.027 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.014 -1.066 -0.847 1.00 0.00 C ATOM 1077 CD2 LEU A 69 5.011 -1.171 1.434 1.00 0.00 C ATOM 0 H LEU A 69 1.181 -2.062 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 69 2.851 -3.208 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.624 -1.980 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.331 -0.549 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 69 5.205 -2.811 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.998 -1.172 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.020 -1.528 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.771 -0.008 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.013 -1.286 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.751 -0.113 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.295 -1.700 2.063 1.00 0.00 H new ATOM 1089 N LEU A 70 1.813 -1.890 2.412 1.00 0.00 N ATOM 1090 CA LEU A 70 1.281 -1.136 3.524 1.00 0.00 C ATOM 1091 C LEU A 70 2.409 -0.499 4.324 1.00 0.00 C ATOM 1092 O LEU A 70 3.141 -1.184 5.042 1.00 0.00 O ATOM 1093 CB LEU A 70 0.450 -2.044 4.436 1.00 0.00 C ATOM 1094 CG LEU A 70 -1.016 -2.259 4.028 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.745 -0.928 3.925 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -1.111 -3.024 2.718 1.00 0.00 C ATOM 0 H LEU A 70 2.186 -2.803 2.670 1.00 0.00 H new ATOM 0 HA LEU A 70 0.640 -0.349 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.938 -3.018 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.467 -1.626 5.443 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.497 -2.856 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.781 -1.102 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.718 -0.423 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.259 -0.304 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.159 -3.162 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.609 -2.462 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.633 -3.997 2.830 1.00 0.00 H new ATOM 1108 N GLY A 71 2.568 0.804 4.170 1.00 0.00 N ATOM 1109 CA GLY A 71 3.508 1.532 4.993 1.00 0.00 C ATOM 1110 C GLY A 71 2.827 2.049 6.237 1.00 0.00 C ATOM 1111 O GLY A 71 2.178 3.090 6.199 1.00 0.00 O ATOM 0 H GLY A 71 2.063 1.371 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.339 0.883 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.928 2.364 4.428 1.00 0.00 H new ATOM 1115 N THR A 72 2.957 1.317 7.333 1.00 0.00 N ATOM 1116 CA THR A 72 2.195 1.614 8.538 1.00 0.00 C ATOM 1117 C THR A 72 2.918 2.604 9.452 1.00 0.00 C ATOM 1118 O THR A 72 3.193 2.311 10.618 1.00 0.00 O ATOM 1119 CB THR A 72 1.872 0.322 9.311 1.00 0.00 C ATOM 1120 OG1 THR A 72 3.060 -0.462 9.473 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.820 -0.497 8.579 1.00 0.00 C ATOM 0 H THR A 72 3.581 0.515 7.414 1.00 0.00 H new ATOM 0 HA THR A 72 1.265 2.082 8.216 1.00 0.00 H new ATOM 0 HB THR A 72 1.481 0.600 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.611 -0.078 10.187 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.608 -1.405 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.093 0.090 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.190 -0.764 7.589 1.00 0.00 H new ATOM 1129 N GLY A 73 3.198 3.784 8.919 1.00 0.00 N ATOM 1130 CA GLY A 73 3.846 4.824 9.691 1.00 0.00 C ATOM 1131 C GLY A 73 5.247 4.453 10.134 1.00 0.00 C ATOM 1132 O GLY A 73 6.113 4.163 9.307 1.00 0.00 O ATOM 0 H GLY A 73 2.985 4.041 7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.890 5.736 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.241 5.046 10.570 1.00 0.00 H new ATOM 1136 N GLU A 74 5.462 4.451 11.444 1.00 0.00 N ATOM 1137 CA GLU A 74 6.784 4.221 12.009 1.00 0.00 C ATOM 1138 C GLU A 74 7.262 2.789 11.768 1.00 0.00 C ATOM 1139 O GLU A 74 8.204 2.565 11.016 1.00 0.00 O ATOM 1140 CB GLU A 74 6.783 4.541 13.507 1.00 0.00 C ATOM 1141 CG GLU A 74 8.146 4.393 14.161 1.00 0.00 C ATOM 1142 CD GLU A 74 9.213 5.225 13.476 1.00 0.00 C ATOM 1143 OE1 GLU A 74 9.755 4.772 12.446 1.00 0.00 O ATOM 1144 OE2 GLU A 74 9.527 6.325 13.973 1.00 0.00 O ATOM 0 H GLU A 74 4.731 4.607 12.138 1.00 0.00 H new ATOM 0 HA GLU A 74 7.482 4.888 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.429 5.562 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.074 3.883 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.077 4.688 15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.441 3.344 14.144 1.00 0.00 H new ATOM 1151 N ARG A 75 6.619 1.824 12.407 1.00 0.00 N ATOM 1152 CA ARG A 75 7.002 0.424 12.252 1.00 0.00 C ATOM 1153 C ARG A 75 5.892 -0.354 11.562 1.00 0.00 C ATOM 1154 O ARG A 75 4.742 0.081 11.552 1.00 0.00 O ATOM 1155 CB ARG A 75 7.300 -0.213 13.607 1.00 0.00 C ATOM 1156 CG ARG A 75 8.764 -0.569 13.826 1.00 0.00 C ATOM 1157 CD ARG A 75 9.498 0.491 14.633 1.00 0.00 C ATOM 1158 NE ARG A 75 10.017 1.589 13.817 1.00 0.00 N ATOM 1159 CZ ARG A 75 11.260 2.060 13.937 1.00 0.00 C ATOM 1160 NH1 ARG A 75 12.128 1.442 14.730 1.00 0.00 N ATOM 1161 NH2 ARG A 75 11.641 3.133 13.259 1.00 0.00 N ATOM 0 H ARG A 75 5.832 1.981 13.036 1.00 0.00 H new ATOM 0 HA ARG A 75 7.904 0.390 11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.983 0.471 14.394 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.700 -1.117 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.830 -1.527 14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.255 -0.693 12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.822 0.896 15.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.325 0.023 15.166 1.00 0.00 H new ATOM 0 HE ARG A 75 9.400 2.014 13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.844 0.609 15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.078 1.800 14.823 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.982 3.605 12.640 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.593 3.486 13.356 1.00 0.00 H new ATOM 1175 N GLN A 76 6.231 -1.507 11.000 1.00 0.00 N ATOM 1176 CA GLN A 76 5.246 -2.324 10.307 1.00 0.00 C ATOM 1177 C GLN A 76 4.288 -2.985 11.296 1.00 0.00 C ATOM 1178 O GLN A 76 4.677 -3.390 12.398 1.00 0.00 O ATOM 1179 CB GLN A 76 5.919 -3.378 9.421 1.00 0.00 C ATOM 1180 CG GLN A 76 6.871 -4.303 10.156 1.00 0.00 C ATOM 1181 CD GLN A 76 7.424 -5.394 9.257 1.00 0.00 C ATOM 1182 OE1 GLN A 76 6.856 -6.482 9.162 1.00 0.00 O ATOM 1183 NE2 GLN A 76 8.523 -5.107 8.578 1.00 0.00 N ATOM 0 H GLN A 76 7.174 -1.895 11.010 1.00 0.00 H new ATOM 0 HA GLN A 76 4.668 -1.663 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.146 -3.979 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.466 -2.871 8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.696 -3.720 10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.352 -4.759 11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.964 -4.194 8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.929 -5.799 7.948 1.00 0.00 H new ATOM 1192 N GLN A 77 3.032 -3.064 10.896 1.00 0.00 N ATOM 1193 CA GLN A 77 1.988 -3.658 11.712 1.00 0.00 C ATOM 1194 C GLN A 77 1.210 -4.671 10.882 1.00 0.00 C ATOM 1195 O GLN A 77 0.805 -4.382 9.757 1.00 0.00 O ATOM 1196 CB GLN A 77 1.063 -2.561 12.253 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.099 -3.071 13.098 1.00 0.00 C ATOM 1198 CD GLN A 77 0.343 -3.872 14.307 1.00 0.00 C ATOM 1199 OE1 GLN A 77 1.424 -3.656 14.857 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.499 -4.798 14.735 1.00 0.00 N ATOM 0 H GLN A 77 2.706 -2.717 9.994 1.00 0.00 H new ATOM 0 HA GLN A 77 2.433 -4.176 12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.654 -1.868 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.663 -1.994 11.412 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.696 -2.222 13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.746 -3.691 12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.385 -4.945 14.251 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.263 -5.365 15.549 1.00 0.00 H new ATOM 1209 N PHE A 78 1.023 -5.861 11.434 1.00 0.00 N ATOM 1210 CA PHE A 78 0.385 -6.947 10.706 1.00 0.00 C ATOM 1211 C PHE A 78 -1.134 -6.851 10.808 1.00 0.00 C ATOM 1212 O PHE A 78 -1.681 -6.731 11.904 1.00 0.00 O ATOM 1213 CB PHE A 78 0.870 -8.296 11.244 1.00 0.00 C ATOM 1214 CG PHE A 78 2.362 -8.459 11.175 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.978 -8.823 9.989 1.00 0.00 C ATOM 1216 CD2 PHE A 78 3.150 -8.239 12.293 1.00 0.00 C ATOM 1217 CE1 PHE A 78 4.350 -8.967 9.921 1.00 0.00 C ATOM 1218 CE2 PHE A 78 4.522 -8.380 12.230 1.00 0.00 C ATOM 1219 CZ PHE A 78 5.124 -8.746 11.042 1.00 0.00 C ATOM 0 H PHE A 78 1.305 -6.099 12.385 1.00 0.00 H new ATOM 0 HA PHE A 78 0.660 -6.865 9.655 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.547 -8.404 12.279 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.397 -9.097 10.677 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.379 -8.996 9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.685 -7.954 13.225 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.817 -9.253 8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.124 -8.204 13.109 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.197 -8.859 10.991 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.832 -6.888 9.660 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.295 -6.800 9.613 1.00 0.00 C ATOM 1231 C PRO A 79 -3.978 -8.035 10.202 1.00 0.00 C ATOM 1232 O PRO A 79 -3.319 -9.002 10.594 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.615 -6.685 8.115 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.312 -6.391 7.448 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.254 -7.003 8.316 1.00 0.00 C ATOM 0 HA PRO A 79 -3.658 -5.960 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.050 -7.609 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.339 -5.892 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.284 -6.813 6.443 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.160 -5.316 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.060 -8.041 8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.306 -6.470 8.236 1.00 0.00 H new ATOM 1243 N SER A 80 -5.302 -7.992 10.255 1.00 0.00 N ATOM 1244 CA SER A 80 -6.089 -9.084 10.803 1.00 0.00 C ATOM 1245 C SER A 80 -6.038 -10.311 9.889 1.00 0.00 C ATOM 1246 O SER A 80 -5.747 -10.194 8.696 1.00 0.00 O ATOM 1247 CB SER A 80 -7.534 -8.621 10.987 1.00 0.00 C ATOM 1248 OG SER A 80 -7.574 -7.338 11.588 1.00 0.00 O ATOM 0 H SER A 80 -5.857 -7.204 9.921 1.00 0.00 H new ATOM 0 HA SER A 80 -5.670 -9.370 11.768 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.038 -8.592 10.021 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.075 -9.336 11.607 1.00 0.00 H new ATOM 0 HG SER A 80 -8.506 -7.057 11.697 1.00 0.00 H new ATOM 1254 N THR A 81 -6.335 -11.474 10.460 1.00 0.00 N ATOM 1255 CA THR A 81 -6.301 -12.739 9.747 1.00 0.00 C ATOM 1256 C THR A 81 -7.126 -12.707 8.462 1.00 0.00 C ATOM 1257 O THR A 81 -6.702 -13.232 7.432 1.00 0.00 O ATOM 1258 CB THR A 81 -6.835 -13.852 10.660 1.00 0.00 C ATOM 1259 OG1 THR A 81 -8.008 -13.394 11.346 1.00 0.00 O ATOM 1260 CG2 THR A 81 -5.789 -14.286 11.671 1.00 0.00 C ATOM 0 H THR A 81 -6.608 -11.562 11.439 1.00 0.00 H new ATOM 0 HA THR A 81 -5.264 -12.929 9.469 1.00 0.00 H new ATOM 0 HB THR A 81 -7.083 -14.711 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.347 -14.107 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.198 -15.075 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.910 -14.660 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.507 -13.435 12.291 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.298 -12.083 8.530 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.202 -12.003 7.384 1.00 0.00 C ATOM 1270 C ASP A 82 -8.545 -11.306 6.200 1.00 0.00 C ATOM 1271 O ASP A 82 -8.810 -11.643 5.046 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.490 -11.273 7.770 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.309 -12.054 8.776 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.117 -12.910 8.350 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.138 -11.827 9.990 1.00 0.00 O ATOM 0 H ASP A 82 -8.647 -11.623 9.371 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.443 -13.023 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.242 -10.296 8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.088 -11.096 6.876 1.00 0.00 H new ATOM 1280 N VAL A 83 -7.678 -10.344 6.487 1.00 0.00 N ATOM 1281 CA VAL A 83 -6.961 -9.633 5.439 1.00 0.00 C ATOM 1282 C VAL A 83 -5.942 -10.560 4.786 1.00 0.00 C ATOM 1283 O VAL A 83 -5.840 -10.626 3.561 1.00 0.00 O ATOM 1284 CB VAL A 83 -6.242 -8.382 5.990 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -5.565 -7.608 4.869 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -7.218 -7.490 6.744 1.00 0.00 C ATOM 0 H VAL A 83 -7.455 -10.039 7.435 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.692 -9.306 4.700 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.472 -8.714 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.066 -6.732 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.831 -8.246 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.313 -7.291 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.692 -6.614 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.014 -7.171 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.648 -8.045 7.578 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.213 -11.297 5.617 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.226 -12.258 5.135 1.00 0.00 C ATOM 1298 C LEU A 84 -4.896 -13.344 4.297 1.00 0.00 C ATOM 1299 O LEU A 84 -4.386 -13.730 3.247 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.469 -12.903 6.306 1.00 0.00 C ATOM 1301 CG LEU A 84 -2.306 -12.089 6.891 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -1.274 -11.789 5.818 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.800 -10.800 7.530 1.00 0.00 C ATOM 0 H LEU A 84 -5.287 -11.247 6.633 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.513 -11.717 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.182 -13.105 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.081 -13.866 5.974 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.836 -12.690 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.457 -11.211 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.884 -12.724 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.739 -11.216 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.953 -10.247 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.305 -10.192 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.497 -11.036 8.334 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.043 -13.821 4.768 1.00 0.00 N ATOM 1316 CA ALA A 85 -6.792 -14.859 4.069 1.00 0.00 C ATOM 1317 C ALA A 85 -7.203 -14.392 2.677 1.00 0.00 C ATOM 1318 O ALA A 85 -6.977 -15.092 1.687 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.016 -15.258 4.877 1.00 0.00 C ATOM 0 H ALA A 85 -6.476 -13.503 5.635 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.145 -15.729 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.567 -16.033 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.702 -15.638 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.658 -14.389 5.018 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.786 -13.200 2.610 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.231 -12.631 1.344 1.00 0.00 C ATOM 1327 C ALA A 86 -7.053 -12.398 0.405 1.00 0.00 C ATOM 1328 O ALA A 86 -7.146 -12.642 -0.797 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.983 -11.330 1.582 1.00 0.00 C ATOM 0 H ALA A 86 -7.962 -12.607 3.421 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.906 -13.345 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.308 -10.918 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.853 -11.522 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.327 -10.616 2.080 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.943 -11.936 0.964 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.744 -11.667 0.183 1.00 0.00 C ATOM 1337 C CYS A 87 -4.172 -12.965 -0.388 1.00 0.00 C ATOM 1338 O CYS A 87 -3.786 -13.027 -1.558 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.701 -10.965 1.060 1.00 0.00 C ATOM 1340 SG CYS A 87 -2.277 -10.317 0.157 1.00 0.00 S ATOM 0 H CYS A 87 -5.848 -11.739 1.960 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.006 -11.015 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.184 -10.144 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.348 -11.667 1.815 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.868 -11.203 -0.702 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.147 -14.004 0.440 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.595 -15.295 0.048 1.00 0.00 C ATOM 1348 C LEU A 88 -4.457 -15.948 -1.029 1.00 0.00 C ATOM 1349 O LEU A 88 -3.942 -16.404 -2.051 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.478 -16.210 1.282 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.715 -17.533 1.087 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.200 -18.043 2.424 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -3.602 -18.594 0.446 1.00 0.00 C ATOM 0 H LEU A 88 -4.506 -13.976 1.394 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.600 -15.139 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.989 -15.648 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.484 -16.445 1.629 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.874 -17.337 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.662 -18.979 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.528 -17.304 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.040 -18.212 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.034 -19.516 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.464 -18.782 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.943 -18.243 -0.528 1.00 0.00 H new ATOM 1365 N THR A 89 -5.765 -15.971 -0.807 1.00 0.00 N ATOM 1366 CA THR A 89 -6.675 -16.680 -1.699 1.00 0.00 C ATOM 1367 C THR A 89 -6.775 -15.993 -3.065 1.00 0.00 C ATOM 1368 O THR A 89 -7.088 -16.635 -4.069 1.00 0.00 O ATOM 1369 CB THR A 89 -8.082 -16.824 -1.069 1.00 0.00 C ATOM 1370 OG1 THR A 89 -8.864 -17.765 -1.813 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.810 -15.489 -1.018 1.00 0.00 C ATOM 0 H THR A 89 -6.219 -15.508 -0.019 1.00 0.00 H new ATOM 0 HA THR A 89 -6.260 -17.677 -1.850 1.00 0.00 H new ATOM 0 HB THR A 89 -7.950 -17.182 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.751 -17.849 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.794 -15.628 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.235 -14.784 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.924 -15.098 -2.029 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.490 -14.696 -3.108 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.538 -13.953 -4.361 1.00 0.00 C ATOM 1381 C ARG A 90 -5.197 -14.001 -5.081 1.00 0.00 C ATOM 1382 O ARG A 90 -5.076 -13.535 -6.214 1.00 0.00 O ATOM 1383 CB ARG A 90 -6.962 -12.502 -4.119 1.00 0.00 C ATOM 1384 CG ARG A 90 -8.424 -12.346 -3.720 1.00 0.00 C ATOM 1385 CD ARG A 90 -9.374 -12.542 -4.899 1.00 0.00 C ATOM 1386 NE ARG A 90 -9.241 -13.857 -5.528 1.00 0.00 N ATOM 1387 CZ ARG A 90 -10.035 -14.895 -5.270 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.021 -14.791 -4.386 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -9.844 -16.040 -5.902 1.00 0.00 N ATOM 0 H ARG A 90 -6.225 -14.141 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.283 -14.429 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.334 -12.076 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.779 -11.924 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.664 -13.069 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.578 -11.354 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.401 -12.411 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.185 -11.768 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.492 -13.987 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.176 -13.910 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.623 -15.593 -4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.091 -16.126 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.450 -16.837 -5.707 1.00 0.00 H new ATOM 1403 N GLY A 91 -4.200 -14.582 -4.426 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.888 -14.708 -5.029 1.00 0.00 C ATOM 1405 C GLY A 91 -2.178 -13.378 -5.164 1.00 0.00 C ATOM 1406 O GLY A 91 -1.533 -13.111 -6.179 1.00 0.00 O ATOM 0 H GLY A 91 -4.277 -14.969 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.279 -15.381 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.987 -15.164 -6.014 1.00 0.00 H new ATOM 1410 N ILE A 92 -2.299 -12.544 -4.141 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.663 -11.234 -4.136 1.00 0.00 C ATOM 1412 C ILE A 92 -0.641 -11.164 -3.002 1.00 0.00 C ATOM 1413 O ILE A 92 -0.832 -11.782 -1.951 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.708 -10.102 -3.974 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.777 -10.203 -5.070 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -2.037 -8.734 -4.015 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.870 -9.159 -4.957 1.00 0.00 C ATOM 0 H ILE A 92 -2.835 -12.753 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.161 -11.094 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.188 -10.218 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.296 -10.108 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.229 -11.194 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.791 -7.955 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.312 -8.660 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.528 -8.607 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.588 -9.295 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.378 -9.267 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.431 -8.164 -5.025 1.00 0.00 H new ATOM 1429 N GLY A 93 0.447 -10.441 -3.224 1.00 0.00 N ATOM 1430 CA GLY A 93 1.462 -10.301 -2.203 1.00 0.00 C ATOM 1431 C GLY A 93 1.176 -9.139 -1.272 1.00 0.00 C ATOM 1432 O GLY A 93 0.858 -8.040 -1.724 1.00 0.00 O ATOM 0 H GLY A 93 0.644 -9.948 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.523 -11.223 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.434 -10.156 -2.675 1.00 0.00 H new ATOM 1436 N LEU A 94 1.275 -9.383 0.025 1.00 0.00 N ATOM 1437 CA LEU A 94 1.050 -8.342 1.017 1.00 0.00 C ATOM 1438 C LEU A 94 2.373 -7.929 1.643 1.00 0.00 C ATOM 1439 O LEU A 94 3.015 -8.721 2.338 1.00 0.00 O ATOM 1440 CB LEU A 94 0.087 -8.832 2.102 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.346 -7.772 3.117 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -1.114 -6.655 2.428 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.186 -8.399 4.219 1.00 0.00 C ATOM 0 H LEU A 94 1.510 -10.295 0.417 1.00 0.00 H new ATOM 0 HA LEU A 94 0.603 -7.480 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.803 -9.235 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.559 -9.655 2.639 1.00 0.00 H new ATOM 0 HG LEU A 94 0.548 -7.344 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.414 -5.911 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.478 -6.186 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.001 -7.067 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.485 -7.630 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.075 -8.855 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.601 -9.162 4.733 1.00 0.00 H new ATOM 1455 N GLU A 95 2.782 -6.698 1.391 1.00 0.00 N ATOM 1456 CA GLU A 95 4.059 -6.207 1.879 1.00 0.00 C ATOM 1457 C GLU A 95 3.843 -5.187 2.991 1.00 0.00 C ATOM 1458 O GLU A 95 3.303 -4.110 2.756 1.00 0.00 O ATOM 1459 CB GLU A 95 4.851 -5.578 0.730 1.00 0.00 C ATOM 1460 CG GLU A 95 6.307 -5.313 1.066 1.00 0.00 C ATOM 1461 CD GLU A 95 7.053 -6.583 1.409 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.403 -7.341 0.480 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.281 -6.838 2.609 1.00 0.00 O ATOM 0 H GLU A 95 2.247 -6.019 0.850 1.00 0.00 H new ATOM 0 HA GLU A 95 4.628 -7.045 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.801 -6.237 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.376 -4.639 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.791 -4.826 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.364 -4.621 1.906 1.00 0.00 H new ATOM 1470 N ALA A 96 4.253 -5.535 4.199 1.00 0.00 N ATOM 1471 CA ALA A 96 4.121 -4.639 5.336 1.00 0.00 C ATOM 1472 C ALA A 96 5.489 -4.134 5.769 1.00 0.00 C ATOM 1473 O ALA A 96 6.359 -4.924 6.135 1.00 0.00 O ATOM 1474 CB ALA A 96 3.422 -5.343 6.489 1.00 0.00 C ATOM 0 H ALA A 96 4.681 -6.434 4.418 1.00 0.00 H new ATOM 0 HA ALA A 96 3.514 -3.784 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.331 -4.658 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.429 -5.662 6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.004 -6.214 6.790 1.00 0.00 H new ATOM 1480 N MET A 97 5.682 -2.821 5.712 1.00 0.00 N ATOM 1481 CA MET A 97 6.963 -2.219 6.068 1.00 0.00 C ATOM 1482 C MET A 97 6.773 -0.842 6.691 1.00 0.00 C ATOM 1483 O MET A 97 5.647 -0.395 6.925 1.00 0.00 O ATOM 1484 CB MET A 97 7.876 -2.096 4.839 1.00 0.00 C ATOM 1485 CG MET A 97 8.458 -3.415 4.358 1.00 0.00 C ATOM 1486 SD MET A 97 9.616 -3.204 2.990 1.00 0.00 S ATOM 1487 CE MET A 97 8.546 -2.473 1.755 1.00 0.00 C ATOM 0 H MET A 97 4.968 -2.152 5.423 1.00 0.00 H new ATOM 0 HA MET A 97 7.433 -2.877 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.310 -1.643 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.694 -1.416 5.075 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.966 -3.908 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.647 -4.073 4.045 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.729 -2.945 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.505 -2.623 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.752 -1.405 1.682 1.00 0.00 H new ATOM 1497 N THR A 98 7.891 -0.182 6.959 1.00 0.00 N ATOM 1498 CA THR A 98 7.888 1.157 7.519 1.00 0.00 C ATOM 1499 C THR A 98 7.616 2.192 6.429 1.00 0.00 C ATOM 1500 O THR A 98 7.731 1.890 5.238 1.00 0.00 O ATOM 1501 CB THR A 98 9.243 1.469 8.192 1.00 0.00 C ATOM 1502 OG1 THR A 98 10.301 1.416 7.223 1.00 0.00 O ATOM 1503 CG2 THR A 98 9.537 0.478 9.308 1.00 0.00 C ATOM 0 H THR A 98 8.823 -0.561 6.794 1.00 0.00 H new ATOM 0 HA THR A 98 7.097 1.206 8.268 1.00 0.00 H new ATOM 0 HB THR A 98 9.183 2.471 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 98 11.155 1.617 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.496 0.719 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.751 0.535 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.574 -0.531 8.898 1.00 0.00 H new ATOM 1511 N ASN A 99 7.254 3.401 6.842 1.00 0.00 N ATOM 1512 CA ASN A 99 7.028 4.504 5.909 1.00 0.00 C ATOM 1513 C ASN A 99 8.255 4.725 5.027 1.00 0.00 C ATOM 1514 O ASN A 99 8.139 4.894 3.811 1.00 0.00 O ATOM 1515 CB ASN A 99 6.709 5.785 6.687 1.00 0.00 C ATOM 1516 CG ASN A 99 6.452 6.990 5.796 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.816 8.110 6.142 1.00 0.00 O ATOM 1518 ND2 ASN A 99 5.799 6.781 4.666 1.00 0.00 N ATOM 0 H ASN A 99 7.109 3.645 7.822 1.00 0.00 H new ATOM 0 HA ASN A 99 6.183 4.249 5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.833 5.612 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.539 6.009 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 99 5.582 7.564 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.512 5.836 4.410 1.00 0.00 H new ATOM 1525 N ALA A 100 9.430 4.694 5.646 1.00 0.00 N ATOM 1526 CA ALA A 100 10.680 4.917 4.935 1.00 0.00 C ATOM 1527 C ALA A 100 10.978 3.782 3.960 1.00 0.00 C ATOM 1528 O ALA A 100 11.323 4.022 2.803 1.00 0.00 O ATOM 1529 CB ALA A 100 11.824 5.082 5.922 1.00 0.00 C ATOM 0 H ALA A 100 9.541 4.515 6.644 1.00 0.00 H new ATOM 0 HA ALA A 100 10.576 5.834 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.753 5.248 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.625 5.936 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.915 4.180 6.528 1.00 0.00 H new ATOM 1535 N ALA A 101 10.827 2.545 4.426 1.00 0.00 N ATOM 1536 CA ALA A 101 11.116 1.376 3.600 1.00 0.00 C ATOM 1537 C ALA A 101 10.168 1.295 2.409 1.00 0.00 C ATOM 1538 O ALA A 101 10.575 0.934 1.303 1.00 0.00 O ATOM 1539 CB ALA A 101 11.028 0.105 4.429 1.00 0.00 C ATOM 0 H ALA A 101 10.507 2.326 5.369 1.00 0.00 H new ATOM 0 HA ALA A 101 12.132 1.479 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.246 -0.757 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.751 0.151 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.023 0.008 4.841 1.00 0.00 H new ATOM 1545 N ALA A 102 8.908 1.642 2.645 1.00 0.00 N ATOM 1546 CA ALA A 102 7.893 1.616 1.601 1.00 0.00 C ATOM 1547 C ALA A 102 8.246 2.570 0.468 1.00 0.00 C ATOM 1548 O ALA A 102 8.216 2.193 -0.703 1.00 0.00 O ATOM 1549 CB ALA A 102 6.534 1.970 2.185 1.00 0.00 C ATOM 0 H ALA A 102 8.565 1.946 3.556 1.00 0.00 H new ATOM 0 HA ALA A 102 7.852 0.607 1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.782 1.948 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.271 1.248 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.574 2.969 2.620 1.00 0.00 H new ATOM 1555 N ALA A 103 8.597 3.801 0.826 1.00 0.00 N ATOM 1556 CA ALA A 103 8.935 4.816 -0.161 1.00 0.00 C ATOM 1557 C ALA A 103 10.245 4.481 -0.868 1.00 0.00 C ATOM 1558 O ALA A 103 10.409 4.757 -2.056 1.00 0.00 O ATOM 1559 CB ALA A 103 9.022 6.185 0.497 1.00 0.00 C ATOM 0 H ALA A 103 8.654 4.118 1.794 1.00 0.00 H new ATOM 0 HA ALA A 103 8.144 4.836 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.276 6.934 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.061 6.434 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.792 6.170 1.269 1.00 0.00 H new ATOM 1565 N ARG A 104 11.166 3.869 -0.131 1.00 0.00 N ATOM 1566 CA ARG A 104 12.473 3.513 -0.670 1.00 0.00 C ATOM 1567 C ARG A 104 12.346 2.496 -1.802 1.00 0.00 C ATOM 1568 O ARG A 104 12.831 2.722 -2.910 1.00 0.00 O ATOM 1569 CB ARG A 104 13.367 2.939 0.430 1.00 0.00 C ATOM 1570 CG ARG A 104 14.765 2.591 -0.052 1.00 0.00 C ATOM 1571 CD ARG A 104 15.550 1.825 0.999 1.00 0.00 C ATOM 1572 NE ARG A 104 14.958 0.517 1.279 1.00 0.00 N ATOM 1573 CZ ARG A 104 15.655 -0.618 1.337 1.00 0.00 C ATOM 1574 NH1 ARG A 104 16.961 -0.620 1.098 1.00 0.00 N ATOM 1575 NH2 ARG A 104 15.041 -1.758 1.619 1.00 0.00 N ATOM 0 H ARG A 104 11.030 3.608 0.846 1.00 0.00 H new ATOM 0 HA ARG A 104 12.924 4.423 -1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.440 3.661 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.898 2.044 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.698 1.994 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 104 15.299 3.506 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.577 1.693 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.591 2.409 1.918 1.00 0.00 H new ATOM 0 HE ARG A 104 13.952 0.471 1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 104 17.439 0.251 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.487 -1.493 1.145 1.00 0.00 H new ATOM 0 HH21 ARG A 104 14.036 -1.767 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 104 15.574 -2.627 1.664 1.00 0.00 H new ATOM 1589 N THR A 105 11.683 1.380 -1.523 1.00 0.00 N ATOM 1590 CA THR A 105 11.587 0.303 -2.496 1.00 0.00 C ATOM 1591 C THR A 105 10.600 0.660 -3.609 1.00 0.00 C ATOM 1592 O THR A 105 10.625 0.066 -4.691 1.00 0.00 O ATOM 1593 CB THR A 105 11.183 -1.032 -1.831 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.397 -2.122 -2.739 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.726 -1.015 -1.393 1.00 0.00 C ATOM 0 H THR A 105 11.208 1.199 -0.638 1.00 0.00 H new ATOM 0 HA THR A 105 12.577 0.174 -2.934 1.00 0.00 H new ATOM 0 HB THR A 105 11.807 -1.164 -0.947 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.246 -1.817 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.474 -1.969 -0.929 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.571 -0.210 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 105 9.087 -0.854 -2.261 1.00 0.00 H new ATOM 1603 N TYR A 106 9.748 1.651 -3.348 1.00 0.00 N ATOM 1604 CA TYR A 106 8.783 2.108 -4.339 1.00 0.00 C ATOM 1605 C TYR A 106 9.503 2.644 -5.572 1.00 0.00 C ATOM 1606 O TYR A 106 9.022 2.488 -6.692 1.00 0.00 O ATOM 1607 CB TYR A 106 7.868 3.186 -3.750 1.00 0.00 C ATOM 1608 CG TYR A 106 6.811 3.679 -4.715 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.705 2.896 -5.021 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.920 4.925 -5.320 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.739 3.339 -5.905 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.958 5.375 -6.203 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.870 4.580 -6.493 1.00 0.00 C ATOM 1614 OH TYR A 106 3.911 5.025 -7.372 1.00 0.00 O ATOM 0 H TYR A 106 9.709 2.150 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 106 8.167 1.258 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.379 2.789 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.477 4.031 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.598 1.925 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.771 5.552 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.886 2.717 -6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.058 6.346 -6.665 1.00 0.00 H new ATOM 0 HH TYR A 106 4.153 5.918 -7.696 1.00 0.00 H new ATOM 1624 N ASN A 107 10.666 3.257 -5.357 1.00 0.00 N ATOM 1625 CA ASN A 107 11.489 3.761 -6.450 1.00 0.00 C ATOM 1626 C ASN A 107 11.790 2.657 -7.454 1.00 0.00 C ATOM 1627 O ASN A 107 11.648 2.842 -8.664 1.00 0.00 O ATOM 1628 CB ASN A 107 12.801 4.325 -5.907 1.00 0.00 C ATOM 1629 CG ASN A 107 12.702 5.783 -5.503 1.00 0.00 C ATOM 1630 OD1 ASN A 107 11.646 6.262 -5.092 1.00 0.00 O ATOM 1631 ND2 ASN A 107 13.813 6.497 -5.615 1.00 0.00 N ATOM 0 H ASN A 107 11.059 3.416 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 107 10.934 4.553 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.113 3.736 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.577 4.216 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 107 13.814 7.483 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.667 6.060 -5.961 1.00 0.00 H new ATOM 1638 N VAL A 108 12.188 1.504 -6.937 1.00 0.00 N ATOM 1639 CA VAL A 108 12.526 0.362 -7.773 1.00 0.00 C ATOM 1640 C VAL A 108 11.278 -0.191 -8.449 1.00 0.00 C ATOM 1641 O VAL A 108 11.248 -0.374 -9.665 1.00 0.00 O ATOM 1642 CB VAL A 108 13.191 -0.760 -6.946 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.669 -1.890 -7.847 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.339 -0.205 -6.120 1.00 0.00 C ATOM 0 H VAL A 108 12.285 1.334 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 108 13.231 0.708 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 108 12.445 -1.168 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.133 -2.667 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.820 -2.309 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.397 -1.503 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.795 -1.010 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.084 0.235 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.962 0.559 -5.440 1.00 0.00 H new ATOM 1654 N LEU A 109 10.242 -0.423 -7.650 1.00 0.00 N ATOM 1655 CA LEU A 109 9.008 -1.033 -8.136 1.00 0.00 C ATOM 1656 C LEU A 109 8.334 -0.173 -9.204 1.00 0.00 C ATOM 1657 O LEU A 109 7.887 -0.686 -10.231 1.00 0.00 O ATOM 1658 CB LEU A 109 8.046 -1.274 -6.970 1.00 0.00 C ATOM 1659 CG LEU A 109 8.579 -2.193 -5.868 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.570 -2.311 -4.739 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.914 -3.567 -6.430 1.00 0.00 C ATOM 0 H LEU A 109 10.232 -0.196 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 109 9.268 -1.987 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.789 -0.312 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.123 -1.701 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 109 9.493 -1.754 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.966 -2.968 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.380 -1.325 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.639 -2.725 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.291 -4.205 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.017 -4.014 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.675 -3.468 -7.204 1.00 0.00 H new ATOM 1673 N ALA A 110 8.271 1.133 -8.963 1.00 0.00 N ATOM 1674 CA ALA A 110 7.626 2.052 -9.896 1.00 0.00 C ATOM 1675 C ALA A 110 8.384 2.121 -11.216 1.00 0.00 C ATOM 1676 O ALA A 110 7.779 2.096 -12.286 1.00 0.00 O ATOM 1677 CB ALA A 110 7.507 3.439 -9.282 1.00 0.00 C ATOM 0 H ALA A 110 8.658 1.579 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 110 6.625 1.672 -10.101 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.024 4.111 -9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.911 3.384 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.501 3.818 -9.043 1.00 0.00 H new ATOM 1683 N SER A 111 9.707 2.196 -11.132 1.00 0.00 N ATOM 1684 CA SER A 111 10.545 2.258 -12.323 1.00 0.00 C ATOM 1685 C SER A 111 10.470 0.947 -13.102 1.00 0.00 C ATOM 1686 O SER A 111 10.449 0.940 -14.333 1.00 0.00 O ATOM 1687 CB SER A 111 11.995 2.553 -11.934 1.00 0.00 C ATOM 1688 OG SER A 111 12.085 3.746 -11.170 1.00 0.00 O ATOM 0 H SER A 111 10.222 2.215 -10.252 1.00 0.00 H new ATOM 0 HA SER A 111 10.177 3.062 -12.960 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.398 1.718 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.605 2.646 -12.833 1.00 0.00 H new ATOM 0 HG SER A 111 11.710 3.592 -10.278 1.00 0.00 H new ATOM 1694 N GLU A 112 10.427 -0.160 -12.369 1.00 0.00 N ATOM 1695 CA GLU A 112 10.334 -1.483 -12.970 1.00 0.00 C ATOM 1696 C GLU A 112 8.990 -1.670 -13.671 1.00 0.00 C ATOM 1697 O GLU A 112 8.906 -2.309 -14.722 1.00 0.00 O ATOM 1698 CB GLU A 112 10.521 -2.553 -11.893 1.00 0.00 C ATOM 1699 CG GLU A 112 10.428 -3.976 -12.412 1.00 0.00 C ATOM 1700 CD GLU A 112 10.576 -5.002 -11.310 1.00 0.00 C ATOM 1701 OE1 GLU A 112 9.600 -5.233 -10.576 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.669 -5.594 -11.187 1.00 0.00 O ATOM 0 H GLU A 112 10.455 -0.165 -11.349 1.00 0.00 H new ATOM 0 HA GLU A 112 11.122 -1.581 -13.717 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.493 -2.412 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.767 -2.410 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.468 -4.117 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.202 -4.138 -13.162 1.00 0.00 H new ATOM 1709 N GLY A 113 7.948 -1.093 -13.092 1.00 0.00 N ATOM 1710 CA GLY A 113 6.617 -1.256 -13.635 1.00 0.00 C ATOM 1711 C GLY A 113 5.845 -2.328 -12.898 1.00 0.00 C ATOM 1712 O GLY A 113 4.884 -2.891 -13.426 1.00 0.00 O ATOM 0 H GLY A 113 8.001 -0.514 -12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.079 -0.310 -13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.683 -1.515 -14.692 1.00 0.00 H new ATOM 1716 N ARG A 114 6.277 -2.608 -11.676 1.00 0.00 N ATOM 1717 CA ARG A 114 5.640 -3.612 -10.839 1.00 0.00 C ATOM 1718 C ARG A 114 4.249 -3.144 -10.428 1.00 0.00 C ATOM 1719 O ARG A 114 4.050 -1.967 -10.124 1.00 0.00 O ATOM 1720 CB ARG A 114 6.494 -3.860 -9.589 1.00 0.00 C ATOM 1721 CG ARG A 114 5.971 -4.960 -8.674 1.00 0.00 C ATOM 1722 CD ARG A 114 6.223 -6.346 -9.251 1.00 0.00 C ATOM 1723 NE ARG A 114 7.649 -6.594 -9.467 1.00 0.00 N ATOM 1724 CZ ARG A 114 8.283 -7.711 -9.116 1.00 0.00 C ATOM 1725 NH1 ARG A 114 7.634 -8.687 -8.491 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.576 -7.835 -9.384 1.00 0.00 N ATOM 0 H ARG A 114 7.075 -2.147 -11.240 1.00 0.00 H new ATOM 0 HA ARG A 114 5.549 -4.540 -11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.507 -4.116 -9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.560 -2.933 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.451 -4.880 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.902 -4.822 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.821 -7.100 -8.574 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.689 -6.449 -10.196 1.00 0.00 H new ATOM 0 HE ARG A 114 8.195 -5.860 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.642 -8.584 -8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.127 -9.539 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.074 -7.079 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.072 -8.686 -9.120 1.00 0.00 H new ATOM 1740 N ARG A 115 3.285 -4.059 -10.437 1.00 0.00 N ATOM 1741 CA ARG A 115 1.942 -3.756 -9.957 1.00 0.00 C ATOM 1742 C ARG A 115 1.938 -3.595 -8.444 1.00 0.00 C ATOM 1743 O ARG A 115 1.489 -4.484 -7.716 1.00 0.00 O ATOM 1744 CB ARG A 115 0.954 -4.850 -10.353 1.00 0.00 C ATOM 1745 CG ARG A 115 0.559 -4.845 -11.814 1.00 0.00 C ATOM 1746 CD ARG A 115 -0.366 -6.007 -12.123 1.00 0.00 C ATOM 1747 NE ARG A 115 -0.967 -5.906 -13.449 1.00 0.00 N ATOM 1748 CZ ARG A 115 -1.542 -6.930 -14.073 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -1.442 -8.154 -13.570 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -2.180 -6.734 -15.218 1.00 0.00 N ATOM 0 H ARG A 115 3.409 -5.015 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 115 1.632 -2.820 -10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.390 -5.819 -10.112 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.054 -4.745 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.065 -3.905 -12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.451 -4.908 -12.437 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.192 -6.940 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.155 -6.049 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.945 -5.003 -13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.924 -8.309 -12.705 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.883 -8.940 -14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.230 -5.798 -15.620 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.621 -7.519 -15.697 1.00 0.00 H new ATOM 1764 N VAL A 116 2.461 -2.477 -7.979 1.00 0.00 N ATOM 1765 CA VAL A 116 2.523 -2.199 -6.560 1.00 0.00 C ATOM 1766 C VAL A 116 1.452 -1.196 -6.162 1.00 0.00 C ATOM 1767 O VAL A 116 1.342 -0.113 -6.741 1.00 0.00 O ATOM 1768 CB VAL A 116 3.924 -1.684 -6.139 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.335 -0.466 -6.956 1.00 0.00 C ATOM 1770 CG2 VAL A 116 3.959 -1.367 -4.649 1.00 0.00 C ATOM 0 H VAL A 116 2.851 -1.743 -8.569 1.00 0.00 H new ATOM 0 HA VAL A 116 2.340 -3.137 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 116 4.642 -2.479 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.321 -0.130 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.367 -0.731 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.612 0.335 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.951 -1.008 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.220 -0.598 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.731 -2.268 -4.080 1.00 0.00 H new ATOM 1780 N ALA A 117 0.636 -1.581 -5.201 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.350 -0.681 -4.640 1.00 0.00 C ATOM 1782 C ALA A 117 0.165 -0.145 -3.319 1.00 0.00 C ATOM 1783 O ALA A 117 0.122 -0.834 -2.301 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.683 -1.392 -4.454 1.00 0.00 C ATOM 0 H ALA A 117 0.637 -2.515 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.514 0.150 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.410 -0.698 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.042 -1.750 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.553 -2.237 -3.778 1.00 0.00 H new ATOM 1790 N LEU A 118 0.682 1.074 -3.341 1.00 0.00 N ATOM 1791 CA LEU A 118 1.274 1.651 -2.150 1.00 0.00 C ATOM 1792 C LEU A 118 0.208 2.361 -1.328 1.00 0.00 C ATOM 1793 O LEU A 118 -0.073 3.542 -1.529 1.00 0.00 O ATOM 1794 CB LEU A 118 2.392 2.628 -2.528 1.00 0.00 C ATOM 1795 CG LEU A 118 3.140 3.257 -1.349 1.00 0.00 C ATOM 1796 CD1 LEU A 118 3.854 2.189 -0.535 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.128 4.303 -1.845 1.00 0.00 C ATOM 0 H LEU A 118 0.703 1.676 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 118 1.704 0.849 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.113 2.104 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.964 3.427 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 118 2.413 3.748 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.379 2.657 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.124 1.477 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.571 1.667 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.652 4.741 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.850 3.834 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.591 5.085 -2.382 1.00 0.00 H new ATOM 1809 N ALA A 119 -0.403 1.608 -0.428 1.00 0.00 N ATOM 1810 CA ALA A 119 -1.387 2.155 0.481 1.00 0.00 C ATOM 1811 C ALA A 119 -0.684 2.654 1.731 1.00 0.00 C ATOM 1812 O ALA A 119 -0.401 1.888 2.652 1.00 0.00 O ATOM 1813 CB ALA A 119 -2.440 1.112 0.825 1.00 0.00 C ATOM 0 H ALA A 119 -0.231 0.610 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.899 2.990 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.170 1.544 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.944 0.789 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.962 0.255 1.298 1.00 0.00 H new ATOM 1819 N MET A 120 -0.370 3.935 1.742 1.00 0.00 N ATOM 1820 CA MET A 120 0.407 4.506 2.822 1.00 0.00 C ATOM 1821 C MET A 120 -0.497 4.915 3.973 1.00 0.00 C ATOM 1822 O MET A 120 -1.414 5.720 3.798 1.00 0.00 O ATOM 1823 CB MET A 120 1.201 5.713 2.326 1.00 0.00 C ATOM 1824 CG MET A 120 2.240 6.202 3.323 1.00 0.00 C ATOM 1825 SD MET A 120 3.570 5.007 3.577 1.00 0.00 S ATOM 1826 CE MET A 120 4.291 4.954 1.939 1.00 0.00 C ATOM 0 H MET A 120 -0.641 4.598 1.016 1.00 0.00 H new ATOM 0 HA MET A 120 1.104 3.748 3.179 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.699 5.453 1.392 1.00 0.00 H new ATOM 0 HB3 MET A 120 0.511 6.526 2.103 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.663 7.142 2.970 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.755 6.409 4.277 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.246 4.431 1.979 1.00 0.00 H new ATOM 0 HE2 MET A 120 3.617 4.429 1.262 1.00 0.00 H new ATOM 0 HE3 MET A 120 4.449 5.970 1.578 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.238 4.342 5.139 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.968 4.689 6.343 1.00 0.00 C ATOM 1838 C ILE A 121 -0.060 5.488 7.268 1.00 0.00 C ATOM 1839 O ILE A 121 0.855 4.944 7.884 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.490 3.438 7.083 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.381 2.604 6.156 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.257 3.843 8.337 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -2.900 1.332 6.794 1.00 0.00 C ATOM 0 H ILE A 121 0.479 3.629 5.274 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.833 5.285 6.052 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.636 2.830 7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.228 3.212 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.817 2.347 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.618 2.950 8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.598 4.399 9.003 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.104 4.470 8.059 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.523 0.794 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.060 0.703 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.492 1.582 7.675 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.306 6.780 7.339 1.00 0.00 N ATOM 1856 CA VAL A 122 0.522 7.671 8.127 1.00 0.00 C ATOM 1857 C VAL A 122 0.003 7.731 9.556 1.00 0.00 C ATOM 1858 O VAL A 122 -1.206 7.798 9.780 1.00 0.00 O ATOM 1859 CB VAL A 122 0.547 9.088 7.517 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.507 9.990 8.274 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.917 9.028 6.042 1.00 0.00 C ATOM 0 H VAL A 122 -1.078 7.240 6.857 1.00 0.00 H new ATOM 0 HA VAL A 122 1.540 7.281 8.127 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.453 9.512 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.505 10.983 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.193 10.064 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.513 9.572 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.930 10.037 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.904 8.579 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.183 8.426 5.507 1.00 0.00 H new ATOM 1871 N GLY A 123 0.919 7.685 10.518 1.00 0.00 N ATOM 1872 CA GLY A 123 0.526 7.720 11.913 1.00 0.00 C ATOM 1873 C GLY A 123 -0.154 9.019 12.283 1.00 0.00 C ATOM 1874 O GLY A 123 -1.211 9.024 12.917 1.00 0.00 O ATOM 0 H GLY A 123 1.924 7.624 10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.147 6.888 12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.407 7.581 12.540 1.00 0.00 H new