USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 MET CE :methyl -151:sc= 0 (180deg=-0.517) USER MOD Set 1.2: A 105 THR OG1 : rot 152:sc= 0.569 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.778 K(o=2,f=-4.3!) USER MOD Set 2.2: A 80 SER OG : rot -165:sc= 1.21 USER MOD Single : A 21 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.22) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.951) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 32 SER OG : rot 142:sc= -0.228! USER MOD Single : A 36 MET CE :methyl 158:sc= -0.203 (180deg=-0.826) USER MOD Single : A 43 HIS : no HE2:sc= 0.928 K(o=0.93,f=-6.4!) USER MOD Single : A 48 SER OG : rot -8:sc= 0.859 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 56 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 1.12 K(o=1.1,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 77 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.6) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 87 CYS SG : rot -16:sc= 0.242 USER MOD Single : A 89 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.2!) USER MOD Single : A 106 TYR OH : rot 68:sc= 0.06 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -178:sc= -4.64! (180deg=-4.65!) USER MOD ----------------------------------------------------------------- ATOM 228 N ARG A 15 9.853 12.442 -1.441 1.00 0.00 N ATOM 229 CA ARG A 15 10.605 13.619 -0.988 1.00 0.00 C ATOM 230 C ARG A 15 10.941 13.547 0.504 1.00 0.00 C ATOM 231 O ARG A 15 12.108 13.416 0.878 1.00 0.00 O ATOM 232 CB ARG A 15 9.836 14.910 -1.305 1.00 0.00 C ATOM 233 CG ARG A 15 10.672 16.171 -1.150 1.00 0.00 C ATOM 234 CD ARG A 15 9.905 17.409 -1.587 1.00 0.00 C ATOM 235 NE ARG A 15 10.768 18.587 -1.642 1.00 0.00 N ATOM 236 CZ ARG A 15 10.461 19.714 -2.283 1.00 0.00 C ATOM 237 NH1 ARG A 15 9.282 19.848 -2.883 1.00 0.00 N ATOM 238 NH2 ARG A 15 11.334 20.715 -2.314 1.00 0.00 N ATOM 0 HA ARG A 15 11.548 13.628 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.460 14.857 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.968 14.977 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.977 16.280 -0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.583 16.079 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.463 17.236 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.083 17.592 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 15 11.665 18.544 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.606 19.085 -2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.054 20.714 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.236 20.619 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.102 21.579 -2.804 1.00 0.00 H new ATOM 252 N ALA A 16 9.923 13.629 1.343 1.00 0.00 N ATOM 253 CA ALA A 16 10.100 13.585 2.784 1.00 0.00 C ATOM 254 C ALA A 16 9.109 12.608 3.401 1.00 0.00 C ATOM 255 O ALA A 16 7.915 12.903 3.514 1.00 0.00 O ATOM 256 CB ALA A 16 9.932 14.973 3.387 1.00 0.00 C ATOM 0 H ALA A 16 8.952 13.728 1.045 1.00 0.00 H new ATOM 0 HA ALA A 16 11.111 13.241 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.068 14.919 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.675 15.647 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.933 15.347 3.166 1.00 0.00 H new ATOM 262 N ALA A 17 9.605 11.438 3.774 1.00 0.00 N ATOM 263 CA ALA A 17 8.768 10.397 4.348 1.00 0.00 C ATOM 264 C ALA A 17 9.339 9.927 5.680 1.00 0.00 C ATOM 265 O ALA A 17 10.399 9.292 5.725 1.00 0.00 O ATOM 266 CB ALA A 17 8.643 9.232 3.374 1.00 0.00 C ATOM 0 H ALA A 17 10.589 11.185 3.688 1.00 0.00 H new ATOM 0 HA ALA A 17 7.774 10.806 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.014 8.457 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.193 9.581 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.632 8.823 3.167 1.00 0.00 H new ATOM 272 N ASP A 18 8.655 10.260 6.765 1.00 0.00 N ATOM 273 CA ASP A 18 9.099 9.861 8.094 1.00 0.00 C ATOM 274 C ASP A 18 8.301 8.667 8.610 1.00 0.00 C ATOM 275 O ASP A 18 8.850 7.579 8.794 1.00 0.00 O ATOM 276 CB ASP A 18 9.028 11.035 9.088 1.00 0.00 C ATOM 277 CG ASP A 18 7.742 11.838 9.003 1.00 0.00 C ATOM 278 OD1 ASP A 18 6.716 11.414 9.581 1.00 0.00 O ATOM 279 OD2 ASP A 18 7.763 12.917 8.380 1.00 0.00 O ATOM 0 H ASP A 18 7.792 10.804 6.752 1.00 0.00 H new ATOM 0 HA ASP A 18 10.143 9.558 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.136 10.647 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.873 11.701 8.910 1.00 0.00 H new ATOM 284 N GLY A 19 7.015 8.872 8.830 1.00 0.00 N ATOM 285 CA GLY A 19 6.166 7.818 9.340 1.00 0.00 C ATOM 286 C GLY A 19 4.836 8.351 9.825 1.00 0.00 C ATOM 287 O GLY A 19 3.860 7.612 9.919 1.00 0.00 O ATOM 0 H GLY A 19 6.539 9.758 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.997 7.077 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.673 7.307 10.159 1.00 0.00 H new ATOM 291 N ARG A 20 4.791 9.640 10.138 1.00 0.00 N ATOM 292 CA ARG A 20 3.552 10.267 10.571 1.00 0.00 C ATOM 293 C ARG A 20 2.897 10.986 9.401 1.00 0.00 C ATOM 294 O ARG A 20 1.699 11.252 9.413 1.00 0.00 O ATOM 295 CB ARG A 20 3.799 11.245 11.723 1.00 0.00 C ATOM 296 CG ARG A 20 4.609 10.650 12.865 1.00 0.00 C ATOM 297 CD ARG A 20 4.464 11.455 14.148 1.00 0.00 C ATOM 298 NE ARG A 20 4.711 12.884 13.949 1.00 0.00 N ATOM 299 CZ ARG A 20 5.544 13.610 14.698 1.00 0.00 C ATOM 300 NH1 ARG A 20 6.283 13.030 15.635 1.00 0.00 N ATOM 301 NH2 ARG A 20 5.644 14.916 14.499 1.00 0.00 N ATOM 0 H ARG A 20 5.594 10.267 10.100 1.00 0.00 H new ATOM 0 HA ARG A 20 2.883 9.486 10.932 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.319 12.122 11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.839 11.588 12.110 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.286 9.624 13.042 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.660 10.608 12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.459 11.316 14.548 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.160 11.071 14.894 1.00 0.00 H new ATOM 0 HE ARG A 20 4.216 13.354 13.191 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.217 12.023 15.786 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.917 13.591 16.204 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.085 15.366 13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.280 15.472 15.071 1.00 0.00 H new ATOM 315 N HIS A 21 3.701 11.305 8.393 1.00 0.00 N ATOM 316 CA HIS A 21 3.202 11.937 7.178 1.00 0.00 C ATOM 317 C HIS A 21 4.193 11.760 6.035 1.00 0.00 C ATOM 318 O HIS A 21 5.374 11.501 6.265 1.00 0.00 O ATOM 319 CB HIS A 21 2.915 13.434 7.404 1.00 0.00 C ATOM 320 CG HIS A 21 4.079 14.236 7.924 1.00 0.00 C ATOM 321 ND1 HIS A 21 4.024 14.958 9.093 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.319 14.448 7.417 1.00 0.00 C ATOM 323 CE1 HIS A 21 5.172 15.575 9.283 1.00 0.00 C ATOM 324 NE2 HIS A 21 5.980 15.283 8.283 1.00 0.00 N ATOM 0 H HIS A 21 4.707 11.135 8.394 1.00 0.00 H new ATOM 0 HA HIS A 21 2.265 11.447 6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.585 13.871 6.462 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.087 13.527 8.106 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.714 14.036 6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.412 16.214 10.120 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.936 15.621 8.172 1.00 0.00 H new ATOM 333 N ALA A 22 3.701 11.890 4.813 1.00 0.00 N ATOM 334 CA ALA A 22 4.550 11.860 3.631 1.00 0.00 C ATOM 335 C ALA A 22 4.195 13.029 2.724 1.00 0.00 C ATOM 336 O ALA A 22 3.025 13.237 2.405 1.00 0.00 O ATOM 337 CB ALA A 22 4.386 10.541 2.889 1.00 0.00 C ATOM 0 H ALA A 22 2.709 12.018 4.612 1.00 0.00 H new ATOM 0 HA ALA A 22 5.592 11.948 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.028 10.537 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.665 9.717 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.347 10.424 2.581 1.00 0.00 H new ATOM 343 N LYS A 23 5.189 13.806 2.327 1.00 0.00 N ATOM 344 CA LYS A 23 4.931 14.991 1.526 1.00 0.00 C ATOM 345 C LYS A 23 5.222 14.738 0.053 1.00 0.00 C ATOM 346 O LYS A 23 6.370 14.792 -0.381 1.00 0.00 O ATOM 347 CB LYS A 23 5.756 16.177 2.026 1.00 0.00 C ATOM 348 CG LYS A 23 5.395 17.483 1.338 1.00 0.00 C ATOM 349 CD LYS A 23 6.183 18.655 1.888 1.00 0.00 C ATOM 350 CE LYS A 23 5.661 19.963 1.324 1.00 0.00 C ATOM 351 NZ LYS A 23 6.433 21.133 1.804 1.00 0.00 N ATOM 0 H LYS A 23 6.172 13.640 2.543 1.00 0.00 H new ATOM 0 HA LYS A 23 3.873 15.231 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.611 16.286 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.814 15.969 1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.581 17.392 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.329 17.674 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.113 18.668 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.238 18.540 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.700 19.927 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.614 20.083 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.228 21.955 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.164 21.348 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.450 20.918 1.763 1.00 0.00 H new ATOM 365 N VAL A 24 4.174 14.506 -0.718 1.00 0.00 N ATOM 366 CA VAL A 24 4.323 14.199 -2.128 1.00 0.00 C ATOM 367 C VAL A 24 4.339 15.487 -2.937 1.00 0.00 C ATOM 368 O VAL A 24 3.337 16.210 -2.992 1.00 0.00 O ATOM 369 CB VAL A 24 3.187 13.284 -2.637 1.00 0.00 C ATOM 370 CG1 VAL A 24 3.390 12.929 -4.104 1.00 0.00 C ATOM 371 CG2 VAL A 24 3.092 12.024 -1.787 1.00 0.00 C ATOM 0 H VAL A 24 3.209 14.525 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 24 5.266 13.668 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 24 2.248 13.830 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.577 12.284 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.399 13.841 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.340 12.407 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.286 11.393 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.034 11.478 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.887 12.298 -0.752 1.00 0.00 H new ATOM 381 N ASN A 25 5.496 15.769 -3.536 1.00 0.00 N ATOM 382 CA ASN A 25 5.732 17.005 -4.287 1.00 0.00 C ATOM 383 C ASN A 25 5.713 18.214 -3.354 1.00 0.00 C ATOM 384 O ASN A 25 6.764 18.687 -2.917 1.00 0.00 O ATOM 385 CB ASN A 25 4.703 17.190 -5.414 1.00 0.00 C ATOM 386 CG ASN A 25 4.977 18.425 -6.261 1.00 0.00 C ATOM 387 OD1 ASN A 25 6.127 18.802 -6.482 1.00 0.00 O ATOM 388 ND2 ASN A 25 3.919 19.065 -6.732 1.00 0.00 N ATOM 0 H ASN A 25 6.301 15.144 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 25 6.718 16.925 -4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.708 16.307 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.705 17.265 -4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.041 19.903 -7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.981 18.720 -6.526 1.00 0.00 H new ATOM 395 N GLU A 26 4.519 18.690 -3.031 1.00 0.00 N ATOM 396 CA GLU A 26 4.360 19.847 -2.166 1.00 0.00 C ATOM 397 C GLU A 26 3.158 19.652 -1.238 1.00 0.00 C ATOM 398 O GLU A 26 2.781 20.549 -0.487 1.00 0.00 O ATOM 399 CB GLU A 26 4.190 21.111 -3.020 1.00 0.00 C ATOM 400 CG GLU A 26 4.268 22.415 -2.237 1.00 0.00 C ATOM 401 CD GLU A 26 5.553 22.543 -1.447 1.00 0.00 C ATOM 402 OE1 GLU A 26 6.639 22.460 -2.055 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.485 22.741 -0.213 1.00 0.00 O ATOM 0 H GLU A 26 3.641 18.288 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 26 5.251 19.960 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.959 21.119 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.227 21.064 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.185 23.255 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.419 22.477 -1.556 1.00 0.00 H new ATOM 410 N GLN A 27 2.573 18.462 -1.277 1.00 0.00 N ATOM 411 CA GLN A 27 1.392 18.172 -0.478 1.00 0.00 C ATOM 412 C GLN A 27 1.732 17.218 0.660 1.00 0.00 C ATOM 413 O GLN A 27 2.193 16.100 0.425 1.00 0.00 O ATOM 414 CB GLN A 27 0.292 17.568 -1.352 1.00 0.00 C ATOM 415 CG GLN A 27 -0.169 18.486 -2.472 1.00 0.00 C ATOM 416 CD GLN A 27 -1.289 17.882 -3.293 1.00 0.00 C ATOM 417 OE1 GLN A 27 -2.466 18.053 -2.977 1.00 0.00 O ATOM 418 NE2 GLN A 27 -0.935 17.179 -4.357 1.00 0.00 N ATOM 0 H GLN A 27 2.897 17.684 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 27 1.032 19.109 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.654 16.635 -1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.563 17.318 -0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.504 19.432 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.675 18.710 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.052 17.061 -4.585 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.649 16.756 -4.949 1.00 0.00 H new ATOM 427 N ILE A 28 1.503 17.656 1.890 1.00 0.00 N ATOM 428 CA ILE A 28 1.806 16.836 3.054 1.00 0.00 C ATOM 429 C ILE A 28 0.629 15.922 3.368 1.00 0.00 C ATOM 430 O ILE A 28 -0.368 16.351 3.951 1.00 0.00 O ATOM 431 CB ILE A 28 2.139 17.686 4.300 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.287 18.654 3.995 1.00 0.00 C ATOM 433 CG2 ILE A 28 2.500 16.785 5.476 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.697 19.511 5.174 1.00 0.00 C ATOM 0 H ILE A 28 1.110 18.572 2.107 1.00 0.00 H new ATOM 0 HA ILE A 28 2.688 16.244 2.808 1.00 0.00 H new ATOM 0 HB ILE A 28 1.258 18.269 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.151 18.082 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.992 19.304 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.732 17.398 6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.658 16.132 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.368 16.179 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.514 20.169 4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.848 20.111 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.025 18.871 5.993 1.00 0.00 H new ATOM 446 N LEU A 29 0.743 14.669 2.966 1.00 0.00 N ATOM 447 CA LEU A 29 -0.320 13.707 3.177 1.00 0.00 C ATOM 448 C LEU A 29 -0.110 12.957 4.486 1.00 0.00 C ATOM 449 O LEU A 29 0.769 12.100 4.592 1.00 0.00 O ATOM 450 CB LEU A 29 -0.395 12.729 2.002 1.00 0.00 C ATOM 451 CG LEU A 29 -0.701 13.370 0.646 1.00 0.00 C ATOM 452 CD1 LEU A 29 -0.703 12.321 -0.454 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.039 14.096 0.688 1.00 0.00 C ATOM 0 H LEU A 29 1.564 14.294 2.490 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.266 14.245 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.554 12.197 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.162 11.985 2.217 1.00 0.00 H new ATOM 0 HG LEU A 29 0.081 14.097 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.922 12.797 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.275 11.843 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.463 11.570 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.240 14.545 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.830 13.387 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.006 14.876 1.448 1.00 0.00 H new ATOM 465 N GLN A 30 -0.901 13.315 5.483 1.00 0.00 N ATOM 466 CA GLN A 30 -0.877 12.640 6.774 1.00 0.00 C ATOM 467 C GLN A 30 -2.142 11.803 6.941 1.00 0.00 C ATOM 468 O GLN A 30 -2.829 11.870 7.961 1.00 0.00 O ATOM 469 CB GLN A 30 -0.739 13.664 7.906 1.00 0.00 C ATOM 470 CG GLN A 30 -1.725 14.821 7.823 1.00 0.00 C ATOM 471 CD GLN A 30 -1.505 15.849 8.915 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.386 16.035 9.390 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.568 16.530 9.311 1.00 0.00 N ATOM 0 H GLN A 30 -1.576 14.078 5.423 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.015 11.975 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.873 13.155 8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.275 14.064 7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.633 15.304 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.742 14.434 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.478 16.344 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.477 17.241 10.037 1.00 0.00 H new ATOM 482 N GLN A 31 -2.436 11.015 5.915 1.00 0.00 N ATOM 483 CA GLN A 31 -3.644 10.200 5.878 1.00 0.00 C ATOM 484 C GLN A 31 -3.335 8.825 5.298 1.00 0.00 C ATOM 485 O GLN A 31 -2.175 8.489 5.050 1.00 0.00 O ATOM 486 CB GLN A 31 -4.713 10.878 5.015 1.00 0.00 C ATOM 487 CG GLN A 31 -5.160 12.240 5.524 1.00 0.00 C ATOM 488 CD GLN A 31 -6.042 12.972 4.531 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.779 12.225 3.722 1.00 0.00 O flip ATOM 490 NE2 GLN A 31 -6.055 14.201 4.483 1.00 0.00 N flip ATOM 0 H GLN A 31 -1.847 10.923 5.088 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.014 10.090 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.327 10.991 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.582 10.223 4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.702 12.114 6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.282 12.848 5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.474 14.743 5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.647 14.679 3.804 1.00 0.00 H new ATOM 499 N SER A 32 -4.376 8.038 5.089 1.00 0.00 N ATOM 500 CA SER A 32 -4.248 6.770 4.398 1.00 0.00 C ATOM 501 C SER A 32 -4.541 6.974 2.916 1.00 0.00 C ATOM 502 O SER A 32 -5.677 7.268 2.537 1.00 0.00 O ATOM 503 CB SER A 32 -5.213 5.749 5.001 1.00 0.00 C ATOM 504 OG SER A 32 -5.055 5.681 6.409 1.00 0.00 O ATOM 0 H SER A 32 -5.325 8.258 5.391 1.00 0.00 H new ATOM 0 HA SER A 32 -3.232 6.391 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.239 6.024 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.033 4.768 4.562 1.00 0.00 H new ATOM 0 HG SER A 32 -5.932 5.568 6.832 1.00 0.00 H new ATOM 510 N PHE A 33 -3.517 6.851 2.085 1.00 0.00 N ATOM 511 CA PHE A 33 -3.668 7.115 0.662 1.00 0.00 C ATOM 512 C PHE A 33 -3.021 6.027 -0.188 1.00 0.00 C ATOM 513 O PHE A 33 -2.043 5.394 0.219 1.00 0.00 O ATOM 514 CB PHE A 33 -3.088 8.490 0.299 1.00 0.00 C ATOM 515 CG PHE A 33 -1.618 8.657 0.578 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.174 9.029 1.839 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.680 8.458 -0.425 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.173 9.197 2.094 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.669 8.628 -0.176 1.00 0.00 C ATOM 520 CZ PHE A 33 1.097 8.997 1.085 1.00 0.00 C ATOM 0 H PHE A 33 -2.578 6.572 2.369 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.736 7.115 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.264 8.673 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.636 9.255 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.891 9.189 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.008 8.167 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.504 9.484 3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.388 8.473 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.151 9.129 1.282 1.00 0.00 H new ATOM 530 N ILE A 34 -3.582 5.820 -1.369 1.00 0.00 N ATOM 531 CA ILE A 34 -3.078 4.832 -2.306 1.00 0.00 C ATOM 532 C ILE A 34 -2.355 5.525 -3.455 1.00 0.00 C ATOM 533 O ILE A 34 -2.970 6.250 -4.240 1.00 0.00 O ATOM 534 CB ILE A 34 -4.223 3.967 -2.879 1.00 0.00 C ATOM 535 CG1 ILE A 34 -5.065 3.382 -1.741 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.660 2.853 -3.755 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.309 2.661 -2.213 1.00 0.00 C ATOM 0 H ILE A 34 -4.398 6.332 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.387 4.184 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.863 4.598 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.451 2.689 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.356 4.187 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.479 2.253 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.097 3.289 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.001 2.220 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.854 2.274 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.945 3.355 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.025 1.834 -2.864 1.00 0.00 H new ATOM 549 N LEU A 35 -1.051 5.311 -3.544 1.00 0.00 N ATOM 550 CA LEU A 35 -0.242 5.942 -4.575 1.00 0.00 C ATOM 551 C LEU A 35 0.140 4.941 -5.661 1.00 0.00 C ATOM 552 O LEU A 35 0.827 3.948 -5.400 1.00 0.00 O ATOM 553 CB LEU A 35 1.021 6.558 -3.960 1.00 0.00 C ATOM 554 CG LEU A 35 1.982 7.219 -4.955 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.302 8.361 -5.692 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.227 7.718 -4.237 1.00 0.00 C ATOM 0 H LEU A 35 -0.529 4.703 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.837 6.733 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.720 7.302 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.561 5.778 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 35 2.278 6.470 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.005 8.813 -6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.441 7.979 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.972 9.112 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.900 8.185 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.942 8.449 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.733 6.879 -3.759 1.00 0.00 H new ATOM 568 N MET A 36 -0.325 5.198 -6.870 1.00 0.00 N ATOM 569 CA MET A 36 0.028 4.383 -8.019 1.00 0.00 C ATOM 570 C MET A 36 0.616 5.273 -9.112 1.00 0.00 C ATOM 571 O MET A 36 0.457 6.492 -9.062 1.00 0.00 O ATOM 572 CB MET A 36 -1.199 3.623 -8.535 1.00 0.00 C ATOM 573 CG MET A 36 -1.779 2.639 -7.530 1.00 0.00 C ATOM 574 SD MET A 36 -3.086 1.615 -8.231 1.00 0.00 S ATOM 575 CE MET A 36 -2.169 0.688 -9.459 1.00 0.00 C ATOM 0 H MET A 36 -0.954 5.972 -7.083 1.00 0.00 H new ATOM 0 HA MET A 36 0.776 3.647 -7.723 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.970 4.342 -8.812 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.926 3.083 -9.442 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.982 1.997 -7.155 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.173 3.189 -6.676 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.707 -0.229 -9.699 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.058 1.290 -10.361 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.184 0.439 -9.066 1.00 0.00 H new ATOM 585 N PRO A 37 1.310 4.680 -10.105 1.00 0.00 N ATOM 586 CA PRO A 37 1.995 5.432 -11.173 1.00 0.00 C ATOM 587 C PRO A 37 1.109 6.459 -11.886 1.00 0.00 C ATOM 588 O PRO A 37 1.596 7.493 -12.340 1.00 0.00 O ATOM 589 CB PRO A 37 2.423 4.339 -12.154 1.00 0.00 C ATOM 590 CG PRO A 37 2.568 3.118 -11.317 1.00 0.00 C ATOM 591 CD PRO A 37 1.514 3.224 -10.252 1.00 0.00 C ATOM 0 HA PRO A 37 2.812 6.026 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.679 4.196 -12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.361 4.595 -12.648 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.431 2.216 -11.914 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.564 3.061 -10.877 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.594 2.719 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.842 2.769 -9.317 1.00 0.00 H new ATOM 599 N ASP A 38 -0.182 6.175 -11.999 1.00 0.00 N ATOM 600 CA ASP A 38 -1.088 7.075 -12.706 1.00 0.00 C ATOM 601 C ASP A 38 -2.207 7.578 -11.801 1.00 0.00 C ATOM 602 O ASP A 38 -2.665 8.714 -11.936 1.00 0.00 O ATOM 603 CB ASP A 38 -1.679 6.373 -13.934 1.00 0.00 C ATOM 604 CG ASP A 38 -2.746 7.196 -14.633 1.00 0.00 C ATOM 605 OD1 ASP A 38 -2.395 8.163 -15.345 1.00 0.00 O ATOM 606 OD2 ASP A 38 -3.943 6.864 -14.489 1.00 0.00 O ATOM 0 H ASP A 38 -0.623 5.339 -11.616 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.508 7.940 -13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.878 6.152 -14.640 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.107 5.418 -13.629 1.00 0.00 H new ATOM 611 N GLU A 39 -2.636 6.743 -10.871 1.00 0.00 N ATOM 612 CA GLU A 39 -3.788 7.064 -10.044 1.00 0.00 C ATOM 613 C GLU A 39 -3.384 7.289 -8.590 1.00 0.00 C ATOM 614 O GLU A 39 -2.618 6.514 -8.017 1.00 0.00 O ATOM 615 CB GLU A 39 -4.815 5.938 -10.147 1.00 0.00 C ATOM 616 CG GLU A 39 -6.206 6.316 -9.672 1.00 0.00 C ATOM 617 CD GLU A 39 -7.245 5.297 -10.091 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.266 4.935 -11.289 1.00 0.00 O ATOM 619 OE2 GLU A 39 -8.045 4.864 -9.238 1.00 0.00 O ATOM 0 H GLU A 39 -2.206 5.840 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.229 7.993 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.875 5.610 -11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.463 5.087 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.206 6.408 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.473 7.293 -10.074 1.00 0.00 H new ATOM 626 N LEU A 40 -3.902 8.357 -8.005 1.00 0.00 N ATOM 627 CA LEU A 40 -3.639 8.674 -6.610 1.00 0.00 C ATOM 628 C LEU A 40 -4.950 8.872 -5.862 1.00 0.00 C ATOM 629 O LEU A 40 -5.724 9.778 -6.172 1.00 0.00 O ATOM 630 CB LEU A 40 -2.773 9.935 -6.499 1.00 0.00 C ATOM 631 CG LEU A 40 -2.558 10.464 -5.076 1.00 0.00 C ATOM 632 CD1 LEU A 40 -1.852 9.431 -4.212 1.00 0.00 C ATOM 633 CD2 LEU A 40 -1.769 11.765 -5.107 1.00 0.00 C ATOM 0 H LEU A 40 -4.512 9.024 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.097 7.841 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.799 9.726 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.232 10.723 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.535 10.661 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.712 9.831 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.456 8.525 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.881 9.195 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.625 12.127 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.798 11.591 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.318 12.510 -5.683 1.00 0.00 H new ATOM 645 N VAL A 41 -5.204 8.012 -4.891 1.00 0.00 N ATOM 646 CA VAL A 41 -6.404 8.117 -4.076 1.00 0.00 C ATOM 647 C VAL A 41 -6.025 8.433 -2.635 1.00 0.00 C ATOM 648 O VAL A 41 -5.690 7.538 -1.861 1.00 0.00 O ATOM 649 CB VAL A 41 -7.242 6.819 -4.115 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.544 6.989 -3.343 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.522 6.401 -5.550 1.00 0.00 C ATOM 0 H VAL A 41 -4.595 7.231 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.012 8.922 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.663 6.030 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.116 6.062 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.322 7.231 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.127 7.796 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.113 5.485 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.075 7.191 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.579 6.226 -6.069 1.00 0.00 H new ATOM 661 N GLU A 42 -6.052 9.713 -2.287 1.00 0.00 N ATOM 662 CA GLU A 42 -5.665 10.153 -0.952 1.00 0.00 C ATOM 663 C GLU A 42 -6.853 10.098 0.006 1.00 0.00 C ATOM 664 O GLU A 42 -6.715 10.321 1.208 1.00 0.00 O ATOM 665 CB GLU A 42 -5.064 11.569 -1.004 1.00 0.00 C ATOM 666 CG GLU A 42 -6.078 12.704 -1.142 1.00 0.00 C ATOM 667 CD GLU A 42 -7.042 12.529 -2.299 1.00 0.00 C ATOM 668 OE1 GLU A 42 -6.620 12.083 -3.382 1.00 0.00 O ATOM 669 OE2 GLU A 42 -8.239 12.834 -2.122 1.00 0.00 O ATOM 0 H GLU A 42 -6.338 10.467 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.902 9.472 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.482 11.732 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.369 11.621 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.648 12.784 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.541 13.644 -1.268 1.00 0.00 H new ATOM 676 N HIS A 43 -8.023 9.791 -0.537 1.00 0.00 N ATOM 677 CA HIS A 43 -9.224 9.667 0.273 1.00 0.00 C ATOM 678 C HIS A 43 -9.623 8.202 0.425 1.00 0.00 C ATOM 679 O HIS A 43 -10.523 7.709 -0.252 1.00 0.00 O ATOM 680 CB HIS A 43 -10.385 10.510 -0.294 1.00 0.00 C ATOM 681 CG HIS A 43 -10.654 10.330 -1.763 1.00 0.00 C ATOM 682 ND1 HIS A 43 -10.010 11.060 -2.735 1.00 0.00 N ATOM 683 CD2 HIS A 43 -11.515 9.517 -2.420 1.00 0.00 C ATOM 684 CE1 HIS A 43 -10.463 10.708 -3.921 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.378 9.773 -3.763 1.00 0.00 N ATOM 0 H HIS A 43 -8.165 9.624 -1.533 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.998 10.061 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.293 10.265 0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.173 11.563 -0.107 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -9.293 11.765 -2.564 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.186 8.800 -1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.138 11.118 -4.866 1.00 0.00 H new ATOM 694 N TRP A 44 -8.907 7.505 1.291 1.00 0.00 N ATOM 695 CA TRP A 44 -9.214 6.120 1.601 1.00 0.00 C ATOM 696 C TRP A 44 -9.738 6.039 3.032 1.00 0.00 C ATOM 697 O TRP A 44 -9.032 6.401 3.974 1.00 0.00 O ATOM 698 CB TRP A 44 -7.961 5.255 1.414 1.00 0.00 C ATOM 699 CG TRP A 44 -8.206 3.777 1.519 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.364 3.112 1.238 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.256 2.782 1.913 1.00 0.00 C ATOM 702 NE1 TRP A 44 -9.198 1.766 1.453 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.910 1.536 1.861 1.00 0.00 C ATOM 704 CE3 TRP A 44 -5.915 2.822 2.307 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -7.270 0.345 2.191 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.281 1.639 2.633 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.958 0.414 2.571 1.00 0.00 C ATOM 0 H TRP A 44 -8.103 7.880 1.795 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.982 5.742 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.528 5.471 0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.221 5.542 2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.277 3.576 0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.917 1.053 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.384 3.761 2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.791 -0.600 2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.246 1.659 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.433 -0.494 2.828 1.00 0.00 H new ATOM 718 N PRO A 45 -11.001 5.605 3.205 1.00 0.00 N ATOM 719 CA PRO A 45 -11.669 5.562 4.515 1.00 0.00 C ATOM 720 C PRO A 45 -11.083 4.521 5.470 1.00 0.00 C ATOM 721 O PRO A 45 -11.734 3.525 5.802 1.00 0.00 O ATOM 722 CB PRO A 45 -13.125 5.211 4.174 1.00 0.00 C ATOM 723 CG PRO A 45 -13.251 5.415 2.702 1.00 0.00 C ATOM 724 CD PRO A 45 -11.892 5.145 2.133 1.00 0.00 C ATOM 0 HA PRO A 45 -11.550 6.509 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.355 4.181 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.820 5.849 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.994 4.740 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.575 6.431 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.748 4.088 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.725 5.691 1.204 1.00 0.00 H new ATOM 732 N VAL A 46 -9.850 4.749 5.893 1.00 0.00 N ATOM 733 CA VAL A 46 -9.209 3.930 6.912 1.00 0.00 C ATOM 734 C VAL A 46 -8.520 4.835 7.931 1.00 0.00 C ATOM 735 O VAL A 46 -7.416 5.319 7.692 1.00 0.00 O ATOM 736 CB VAL A 46 -8.173 2.950 6.309 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.502 2.129 7.401 1.00 0.00 C ATOM 738 CG2 VAL A 46 -8.824 2.030 5.289 1.00 0.00 C ATOM 0 H VAL A 46 -9.265 5.506 5.541 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.985 3.334 7.393 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.411 3.544 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.779 1.448 6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.990 2.796 8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.256 1.554 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.075 1.352 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.612 1.452 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.252 2.626 4.483 1.00 0.00 H new ATOM 748 N PRO A 47 -9.188 5.108 9.062 1.00 0.00 N ATOM 749 CA PRO A 47 -8.650 5.979 10.115 1.00 0.00 C ATOM 750 C PRO A 47 -7.425 5.376 10.803 1.00 0.00 C ATOM 751 O PRO A 47 -6.500 6.091 11.188 1.00 0.00 O ATOM 752 CB PRO A 47 -9.812 6.115 11.112 1.00 0.00 C ATOM 753 CG PRO A 47 -11.021 5.638 10.379 1.00 0.00 C ATOM 754 CD PRO A 47 -10.529 4.614 9.397 1.00 0.00 C ATOM 0 HA PRO A 47 -8.310 6.932 9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.634 5.518 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.932 7.148 11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.748 5.204 11.065 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.518 6.462 9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.496 3.616 9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.170 4.555 8.518 1.00 0.00 H new ATOM 762 N SER A 48 -7.431 4.059 10.967 1.00 0.00 N ATOM 763 CA SER A 48 -6.314 3.352 11.576 1.00 0.00 C ATOM 764 C SER A 48 -6.320 1.887 11.153 1.00 0.00 C ATOM 765 O SER A 48 -7.302 1.397 10.594 1.00 0.00 O ATOM 766 CB SER A 48 -6.373 3.453 13.103 1.00 0.00 C ATOM 767 OG SER A 48 -6.228 4.793 13.537 1.00 0.00 O ATOM 0 H SER A 48 -8.204 3.456 10.684 1.00 0.00 H new ATOM 0 HA SER A 48 -5.391 3.818 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.323 3.054 13.459 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.585 2.840 13.541 1.00 0.00 H new ATOM 0 HG SER A 48 -5.986 5.359 12.775 1.00 0.00 H new ATOM 773 N LEU A 49 -5.229 1.191 11.454 1.00 0.00 N ATOM 774 CA LEU A 49 -5.053 -0.205 11.058 1.00 0.00 C ATOM 775 C LEU A 49 -6.065 -1.122 11.746 1.00 0.00 C ATOM 776 O LEU A 49 -6.277 -2.256 11.319 1.00 0.00 O ATOM 777 CB LEU A 49 -3.628 -0.650 11.381 1.00 0.00 C ATOM 778 CG LEU A 49 -2.536 0.162 10.684 1.00 0.00 C ATOM 779 CD1 LEU A 49 -1.166 -0.234 11.202 1.00 0.00 C ATOM 780 CD2 LEU A 49 -2.613 -0.028 9.179 1.00 0.00 C ATOM 0 H LEU A 49 -4.443 1.576 11.978 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.227 -0.279 9.984 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.477 -0.588 12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.517 -1.698 11.103 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.695 1.217 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.401 0.354 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.115 -0.048 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.996 -1.293 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.829 0.557 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.479 -1.083 8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.587 0.305 8.820 1.00 0.00 H new ATOM 792 N GLY A 50 -6.697 -0.619 12.802 1.00 0.00 N ATOM 793 CA GLY A 50 -7.719 -1.383 13.496 1.00 0.00 C ATOM 794 C GLY A 50 -8.984 -1.533 12.670 1.00 0.00 C ATOM 795 O GLY A 50 -9.874 -2.311 13.011 1.00 0.00 O ATOM 0 H GLY A 50 -6.519 0.307 13.191 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.328 -2.371 13.741 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.959 -0.892 14.439 1.00 0.00 H new ATOM 799 N GLN A 51 -9.066 -0.773 11.586 1.00 0.00 N ATOM 800 CA GLN A 51 -10.196 -0.849 10.675 1.00 0.00 C ATOM 801 C GLN A 51 -9.728 -1.281 9.292 1.00 0.00 C ATOM 802 O GLN A 51 -10.430 -1.091 8.294 1.00 0.00 O ATOM 803 CB GLN A 51 -10.914 0.500 10.604 1.00 0.00 C ATOM 804 CG GLN A 51 -11.605 0.885 11.903 1.00 0.00 C ATOM 805 CD GLN A 51 -12.289 2.234 11.830 1.00 0.00 C ATOM 806 OE1 GLN A 51 -12.734 2.665 10.766 1.00 0.00 O ATOM 807 NE2 GLN A 51 -12.389 2.908 12.965 1.00 0.00 N ATOM 0 H GLN A 51 -8.356 -0.092 11.316 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.900 -1.592 11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.193 1.274 10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -11.653 0.468 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.342 0.123 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.871 0.899 12.709 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.007 2.516 13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.848 3.819 12.979 1.00 0.00 H new ATOM 816 N LEU A 52 -8.542 -1.880 9.238 1.00 0.00 N ATOM 817 CA LEU A 52 -7.999 -2.377 7.981 1.00 0.00 C ATOM 818 C LEU A 52 -8.610 -3.739 7.660 1.00 0.00 C ATOM 819 O LEU A 52 -7.949 -4.777 7.719 1.00 0.00 O ATOM 820 CB LEU A 52 -6.470 -2.461 8.041 1.00 0.00 C ATOM 821 CG LEU A 52 -5.780 -2.789 6.714 1.00 0.00 C ATOM 822 CD1 LEU A 52 -6.124 -1.750 5.658 1.00 0.00 C ATOM 823 CD2 LEU A 52 -4.275 -2.871 6.906 1.00 0.00 C ATOM 0 H LEU A 52 -7.941 -2.032 10.048 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.258 -1.680 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.084 -1.509 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.193 -3.220 8.773 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.141 -3.759 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.623 -2.002 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.202 -1.735 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.793 -0.767 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.799 -3.105 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.902 -1.915 7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.043 -3.652 7.629 1.00 0.00 H new ATOM 835 N GLN A 53 -9.898 -3.711 7.368 1.00 0.00 N ATOM 836 CA GLN A 53 -10.657 -4.900 7.030 1.00 0.00 C ATOM 837 C GLN A 53 -10.968 -4.897 5.539 1.00 0.00 C ATOM 838 O GLN A 53 -10.865 -3.854 4.889 1.00 0.00 O ATOM 839 CB GLN A 53 -11.957 -4.923 7.845 1.00 0.00 C ATOM 840 CG GLN A 53 -11.735 -5.077 9.341 1.00 0.00 C ATOM 841 CD GLN A 53 -11.421 -6.506 9.742 1.00 0.00 C ATOM 842 OE1 GLN A 53 -10.892 -7.287 8.951 1.00 0.00 O ATOM 843 NE2 GLN A 53 -11.720 -6.851 10.983 1.00 0.00 N ATOM 0 H GLN A 53 -10.451 -2.854 7.359 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.074 -5.790 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.508 -4.001 7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.582 -5.743 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.916 -4.428 9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.626 -4.742 9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.158 -6.175 11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.512 -7.793 11.315 1.00 0.00 H new ATOM 852 N PRO A 54 -11.375 -6.042 4.964 1.00 0.00 N ATOM 853 CA PRO A 54 -11.727 -6.117 3.548 1.00 0.00 C ATOM 854 C PRO A 54 -12.996 -5.328 3.243 1.00 0.00 C ATOM 855 O PRO A 54 -13.386 -5.179 2.091 1.00 0.00 O ATOM 856 CB PRO A 54 -11.933 -7.609 3.289 1.00 0.00 C ATOM 857 CG PRO A 54 -12.219 -8.202 4.623 1.00 0.00 C ATOM 858 CD PRO A 54 -11.520 -7.345 5.642 1.00 0.00 C ATOM 0 HA PRO A 54 -10.956 -5.684 2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.759 -7.778 2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.046 -8.057 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.292 -8.228 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.861 -9.230 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.103 -7.257 6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.552 -7.762 5.919 1.00 0.00 H new ATOM 866 N ALA A 55 -13.635 -4.820 4.293 1.00 0.00 N ATOM 867 CA ALA A 55 -14.789 -3.942 4.147 1.00 0.00 C ATOM 868 C ALA A 55 -14.340 -2.503 3.903 1.00 0.00 C ATOM 869 O ALA A 55 -15.159 -1.616 3.671 1.00 0.00 O ATOM 870 CB ALA A 55 -15.671 -4.022 5.383 1.00 0.00 C ATOM 0 H ALA A 55 -13.370 -5.004 5.261 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.368 -4.271 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.529 -3.361 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.018 -5.047 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.099 -3.715 6.259 1.00 0.00 H new ATOM 876 N HIS A 56 -13.032 -2.280 3.983 1.00 0.00 N ATOM 877 CA HIS A 56 -12.447 -0.966 3.709 1.00 0.00 C ATOM 878 C HIS A 56 -11.375 -1.086 2.631 1.00 0.00 C ATOM 879 O HIS A 56 -11.208 -0.200 1.797 1.00 0.00 O ATOM 880 CB HIS A 56 -11.838 -0.355 4.982 1.00 0.00 C ATOM 881 CG HIS A 56 -12.842 0.013 6.034 1.00 0.00 C ATOM 882 ND1 HIS A 56 -13.129 1.316 6.387 1.00 0.00 N ATOM 883 CD2 HIS A 56 -13.619 -0.764 6.822 1.00 0.00 C ATOM 884 CE1 HIS A 56 -14.037 1.319 7.344 1.00 0.00 C ATOM 885 NE2 HIS A 56 -14.350 0.070 7.625 1.00 0.00 N ATOM 0 H HIS A 56 -12.351 -2.995 4.237 1.00 0.00 H new ATOM 0 HA HIS A 56 -13.242 -0.308 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.128 -1.064 5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.273 0.536 4.708 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -12.705 2.146 5.973 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.656 -1.843 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.453 2.196 7.817 1.00 0.00 H new ATOM 894 N MET A 57 -10.656 -2.202 2.652 1.00 0.00 N ATOM 895 CA MET A 57 -9.584 -2.455 1.695 1.00 0.00 C ATOM 896 C MET A 57 -10.137 -3.123 0.432 1.00 0.00 C ATOM 897 O MET A 57 -9.388 -3.497 -0.470 1.00 0.00 O ATOM 898 CB MET A 57 -8.506 -3.335 2.348 1.00 0.00 C ATOM 899 CG MET A 57 -7.218 -3.447 1.546 1.00 0.00 C ATOM 900 SD MET A 57 -5.971 -4.450 2.373 1.00 0.00 S ATOM 901 CE MET A 57 -4.619 -4.349 1.205 1.00 0.00 C ATOM 0 H MET A 57 -10.798 -2.953 3.328 1.00 0.00 H new ATOM 0 HA MET A 57 -9.136 -1.505 1.404 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.273 -2.932 3.333 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.913 -4.335 2.501 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.439 -3.880 0.570 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.817 -2.449 1.369 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.771 -4.923 1.579 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.937 -4.755 0.245 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.325 -3.307 1.078 1.00 0.00 H new ATOM 911 N ASP A 58 -11.462 -3.244 0.372 1.00 0.00 N ATOM 912 CA ASP A 58 -12.142 -3.895 -0.752 1.00 0.00 C ATOM 913 C ASP A 58 -11.769 -3.245 -2.076 1.00 0.00 C ATOM 914 O ASP A 58 -11.538 -3.931 -3.072 1.00 0.00 O ATOM 915 CB ASP A 58 -13.660 -3.834 -0.555 1.00 0.00 C ATOM 916 CG ASP A 58 -14.431 -4.475 -1.690 1.00 0.00 C ATOM 917 OD1 ASP A 58 -14.343 -5.709 -1.853 1.00 0.00 O ATOM 918 OD2 ASP A 58 -15.140 -3.751 -2.417 1.00 0.00 O ATOM 0 H ASP A 58 -12.093 -2.897 1.095 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.820 -4.936 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.920 -4.331 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.967 -2.793 -0.458 1.00 0.00 H new ATOM 923 N ALA A 59 -11.687 -1.918 -2.066 1.00 0.00 N ATOM 924 CA ALA A 59 -11.325 -1.159 -3.259 1.00 0.00 C ATOM 925 C ALA A 59 -9.957 -1.579 -3.783 1.00 0.00 C ATOM 926 O ALA A 59 -9.753 -1.694 -4.987 1.00 0.00 O ATOM 927 CB ALA A 59 -11.341 0.331 -2.955 1.00 0.00 C ATOM 0 H ALA A 59 -11.867 -1.344 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.061 -1.371 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.070 0.888 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.340 0.626 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.625 0.548 -2.162 1.00 0.00 H new ATOM 933 N VAL A 60 -9.029 -1.832 -2.867 1.00 0.00 N ATOM 934 CA VAL A 60 -7.678 -2.238 -3.234 1.00 0.00 C ATOM 935 C VAL A 60 -7.684 -3.660 -3.789 1.00 0.00 C ATOM 936 O VAL A 60 -6.998 -3.964 -4.764 1.00 0.00 O ATOM 937 CB VAL A 60 -6.718 -2.165 -2.028 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.285 -2.441 -2.457 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.827 -0.811 -1.341 1.00 0.00 C ATOM 0 H VAL A 60 -9.189 -1.763 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.325 -1.546 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.008 -2.936 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.628 -2.384 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.222 -3.437 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.977 -1.700 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.143 -0.777 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.568 -0.023 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.848 -0.662 -0.990 1.00 0.00 H new ATOM 949 N LEU A 61 -8.484 -4.520 -3.172 1.00 0.00 N ATOM 950 CA LEU A 61 -8.582 -5.914 -3.591 1.00 0.00 C ATOM 951 C LEU A 61 -9.188 -6.018 -4.988 1.00 0.00 C ATOM 952 O LEU A 61 -8.775 -6.850 -5.798 1.00 0.00 O ATOM 953 CB LEU A 61 -9.425 -6.710 -2.592 1.00 0.00 C ATOM 954 CG LEU A 61 -8.909 -6.701 -1.151 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.870 -7.448 -0.237 1.00 0.00 C ATOM 956 CD2 LEU A 61 -7.520 -7.314 -1.076 1.00 0.00 C ATOM 0 H LEU A 61 -9.076 -4.277 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.576 -6.333 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.440 -6.313 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.484 -7.743 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.846 -5.666 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.488 -7.432 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.848 -6.967 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.963 -8.481 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.171 -7.298 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.557 -8.344 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.835 -6.740 -1.700 1.00 0.00 H new ATOM 968 N ALA A 62 -10.161 -5.156 -5.267 1.00 0.00 N ATOM 969 CA ALA A 62 -10.831 -5.151 -6.562 1.00 0.00 C ATOM 970 C ALA A 62 -10.020 -4.386 -7.602 1.00 0.00 C ATOM 971 O ALA A 62 -10.189 -4.592 -8.804 1.00 0.00 O ATOM 972 CB ALA A 62 -12.221 -4.549 -6.431 1.00 0.00 C ATOM 0 H ALA A 62 -10.503 -4.452 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.920 -6.184 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.711 -4.551 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.808 -5.139 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.141 -3.525 -6.067 1.00 0.00 H new ATOM 978 N LEU A 63 -9.138 -3.509 -7.132 1.00 0.00 N ATOM 979 CA LEU A 63 -8.295 -2.708 -8.016 1.00 0.00 C ATOM 980 C LEU A 63 -7.348 -3.617 -8.796 1.00 0.00 C ATOM 981 O LEU A 63 -6.958 -3.306 -9.919 1.00 0.00 O ATOM 982 CB LEU A 63 -7.511 -1.676 -7.187 1.00 0.00 C ATOM 983 CG LEU A 63 -7.011 -0.435 -7.940 1.00 0.00 C ATOM 984 CD1 LEU A 63 -6.686 0.678 -6.956 1.00 0.00 C ATOM 985 CD2 LEU A 63 -5.781 -0.754 -8.777 1.00 0.00 C ATOM 0 H LEU A 63 -8.988 -3.334 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.920 -2.174 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.146 -1.345 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.650 -2.177 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.806 -0.108 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.332 1.553 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.582 0.939 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.910 0.341 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.452 0.145 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.981 -1.111 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.027 -1.526 -9.506 1.00 0.00 H new ATOM 997 N ASN A 64 -7.007 -4.753 -8.187 1.00 0.00 N ATOM 998 CA ASN A 64 -6.142 -5.762 -8.808 1.00 0.00 C ATOM 999 C ASN A 64 -4.694 -5.296 -8.905 1.00 0.00 C ATOM 1000 O ASN A 64 -4.223 -4.909 -9.973 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.658 -6.173 -10.194 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.673 -7.293 -10.134 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.322 -8.465 -10.246 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.935 -6.949 -9.940 1.00 0.00 N ATOM 0 H ASN A 64 -7.322 -5.002 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.171 -6.634 -8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.107 -5.307 -10.681 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.816 -6.485 -10.812 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.656 -7.668 -9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.188 -5.965 -9.852 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.978 -5.289 -7.772 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.550 -5.036 -7.734 1.00 0.00 C ATOM 1013 C PRO A 65 -1.742 -6.335 -7.684 1.00 0.00 C ATOM 1014 O PRO A 65 -2.218 -7.354 -7.179 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.391 -4.256 -6.428 1.00 0.00 C ATOM 1016 CG PRO A 65 -3.578 -4.624 -5.578 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.501 -5.476 -6.418 1.00 0.00 C ATOM 0 HA PRO A 65 -2.188 -4.509 -8.617 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.458 -4.517 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.363 -3.183 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.258 -5.169 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.094 -3.728 -5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.472 -6.523 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.538 -5.149 -6.337 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.526 -6.305 -8.210 1.00 0.00 N ATOM 1026 CA ALA A 66 0.340 -7.475 -8.166 1.00 0.00 C ATOM 1027 C ALA A 66 1.143 -7.478 -6.871 1.00 0.00 C ATOM 1028 O ALA A 66 1.262 -8.505 -6.193 1.00 0.00 O ATOM 1029 CB ALA A 66 1.265 -7.504 -9.373 1.00 0.00 C ATOM 0 H ALA A 66 -0.119 -5.490 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.279 -8.371 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.904 -8.386 -9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.671 -7.540 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.885 -6.607 -9.378 1.00 0.00 H new ATOM 1035 N VAL A 67 1.680 -6.319 -6.530 1.00 0.00 N ATOM 1036 CA VAL A 67 2.415 -6.153 -5.290 1.00 0.00 C ATOM 1037 C VAL A 67 1.960 -4.880 -4.579 1.00 0.00 C ATOM 1038 O VAL A 67 1.781 -3.832 -5.205 1.00 0.00 O ATOM 1039 CB VAL A 67 3.945 -6.131 -5.536 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.329 -5.055 -6.541 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.705 -5.947 -4.229 1.00 0.00 C ATOM 0 H VAL A 67 1.619 -5.475 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 67 2.202 -7.009 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 67 4.225 -7.096 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.409 -5.066 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.829 -5.248 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.025 -4.079 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.776 -5.935 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.412 -5.004 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.472 -6.770 -3.553 1.00 0.00 H new ATOM 1051 N ILE A 68 1.742 -4.987 -3.278 1.00 0.00 N ATOM 1052 CA ILE A 68 1.278 -3.866 -2.483 1.00 0.00 C ATOM 1053 C ILE A 68 2.290 -3.545 -1.397 1.00 0.00 C ATOM 1054 O ILE A 68 2.626 -4.401 -0.579 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.081 -4.157 -1.811 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.122 -4.587 -2.845 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -0.567 -2.928 -1.050 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.448 -4.989 -2.235 1.00 0.00 C ATOM 0 H ILE A 68 1.881 -5.848 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 68 1.159 -3.021 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 68 0.056 -4.977 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.287 -3.768 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.727 -5.424 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.526 -3.146 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.161 -2.664 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.683 -2.094 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.138 -5.282 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.297 -5.828 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.865 -4.147 -1.683 1.00 0.00 H new ATOM 1070 N LEU A 69 2.775 -2.321 -1.393 1.00 0.00 N ATOM 1071 CA LEU A 69 3.666 -1.871 -0.344 1.00 0.00 C ATOM 1072 C LEU A 69 2.866 -1.136 0.715 1.00 0.00 C ATOM 1073 O LEU A 69 2.404 -0.018 0.494 1.00 0.00 O ATOM 1074 CB LEU A 69 4.762 -0.971 -0.909 1.00 0.00 C ATOM 1075 CG LEU A 69 5.721 -1.653 -1.883 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.725 -0.653 -2.423 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.439 -2.810 -1.204 1.00 0.00 C ATOM 0 H LEU A 69 2.567 -1.620 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 69 4.149 -2.738 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.293 -0.127 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.340 -0.563 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 69 5.141 -2.049 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.401 -1.154 -3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.198 0.146 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.298 -0.231 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.118 -3.284 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.007 -2.436 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.707 -3.540 -0.859 1.00 0.00 H new ATOM 1089 N LEU A 70 2.683 -1.785 1.851 1.00 0.00 N ATOM 1090 CA LEU A 70 1.880 -1.233 2.924 1.00 0.00 C ATOM 1091 C LEU A 70 2.768 -0.521 3.933 1.00 0.00 C ATOM 1092 O LEU A 70 3.505 -1.159 4.681 1.00 0.00 O ATOM 1093 CB LEU A 70 1.079 -2.345 3.607 1.00 0.00 C ATOM 1094 CG LEU A 70 0.144 -1.889 4.728 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.915 -0.936 4.193 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.508 -3.089 5.395 1.00 0.00 C ATOM 0 H LEU A 70 3.083 -2.701 2.054 1.00 0.00 H new ATOM 0 HA LEU A 70 1.182 -0.508 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.487 -2.860 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.778 -3.075 4.015 1.00 0.00 H new ATOM 0 HG LEU A 70 0.736 -1.357 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.569 -0.624 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.431 -0.060 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.504 -1.440 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.170 -2.748 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.085 -3.647 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.263 -3.734 5.816 1.00 0.00 H new ATOM 1108 N GLY A 71 2.708 0.798 3.926 1.00 0.00 N ATOM 1109 CA GLY A 71 3.482 1.582 4.862 1.00 0.00 C ATOM 1110 C GLY A 71 2.672 1.938 6.087 1.00 0.00 C ATOM 1111 O GLY A 71 1.939 2.930 6.087 1.00 0.00 O ATOM 0 H GLY A 71 2.133 1.344 3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.369 1.023 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.828 2.494 4.376 1.00 0.00 H new ATOM 1115 N THR A 72 2.792 1.129 7.127 1.00 0.00 N ATOM 1116 CA THR A 72 2.010 1.320 8.333 1.00 0.00 C ATOM 1117 C THR A 72 2.694 2.296 9.288 1.00 0.00 C ATOM 1118 O THR A 72 3.357 1.889 10.243 1.00 0.00 O ATOM 1119 CB THR A 72 1.750 -0.027 9.042 1.00 0.00 C ATOM 1120 OG1 THR A 72 2.987 -0.708 9.284 1.00 0.00 O ATOM 1121 CG2 THR A 72 0.844 -0.911 8.201 1.00 0.00 C ATOM 0 H THR A 72 3.427 0.331 7.158 1.00 0.00 H new ATOM 0 HA THR A 72 1.052 1.747 8.037 1.00 0.00 H new ATOM 0 HB THR A 72 1.259 0.181 9.993 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.294 -0.516 10.195 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.674 -1.855 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.109 -0.408 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.317 -1.106 7.238 1.00 0.00 H new ATOM 1129 N GLY A 73 2.549 3.585 8.997 1.00 0.00 N ATOM 1130 CA GLY A 73 3.135 4.623 9.827 1.00 0.00 C ATOM 1131 C GLY A 73 4.609 4.395 10.108 1.00 0.00 C ATOM 1132 O GLY A 73 5.418 4.266 9.184 1.00 0.00 O ATOM 0 H GLY A 73 2.029 3.932 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.009 5.588 9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.594 4.674 10.772 1.00 0.00 H new ATOM 1136 N GLU A 74 4.953 4.330 11.385 1.00 0.00 N ATOM 1137 CA GLU A 74 6.323 4.081 11.803 1.00 0.00 C ATOM 1138 C GLU A 74 6.417 2.778 12.593 1.00 0.00 C ATOM 1139 O GLU A 74 7.449 2.472 13.194 1.00 0.00 O ATOM 1140 CB GLU A 74 6.858 5.266 12.624 1.00 0.00 C ATOM 1141 CG GLU A 74 5.833 5.907 13.557 1.00 0.00 C ATOM 1142 CD GLU A 74 5.278 4.950 14.593 1.00 0.00 C ATOM 1143 OE1 GLU A 74 5.888 4.813 15.676 1.00 0.00 O ATOM 1144 OE2 GLU A 74 4.232 4.329 14.327 1.00 0.00 O ATOM 0 H GLU A 74 4.295 4.448 12.156 1.00 0.00 H new ATOM 0 HA GLU A 74 6.944 3.978 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.707 4.926 13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.232 6.027 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.295 6.753 14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.010 6.304 12.962 1.00 0.00 H new ATOM 1151 N ARG A 75 5.335 2.012 12.574 1.00 0.00 N ATOM 1152 CA ARG A 75 5.259 0.757 13.308 1.00 0.00 C ATOM 1153 C ARG A 75 4.816 -0.367 12.383 1.00 0.00 C ATOM 1154 O ARG A 75 3.722 -0.321 11.830 1.00 0.00 O ATOM 1155 CB ARG A 75 4.277 0.888 14.477 1.00 0.00 C ATOM 1156 CG ARG A 75 3.993 -0.422 15.195 1.00 0.00 C ATOM 1157 CD ARG A 75 3.023 -0.227 16.348 1.00 0.00 C ATOM 1158 NE ARG A 75 2.635 -1.498 16.956 1.00 0.00 N ATOM 1159 CZ ARG A 75 3.170 -1.984 18.078 1.00 0.00 C ATOM 1160 NH1 ARG A 75 4.122 -1.307 18.711 1.00 0.00 N ATOM 1161 NH2 ARG A 75 2.756 -3.151 18.557 1.00 0.00 N ATOM 0 H ARG A 75 4.489 2.242 12.052 1.00 0.00 H new ATOM 0 HA ARG A 75 6.248 0.522 13.701 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.676 1.605 15.195 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.338 1.298 14.105 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.580 -1.143 14.489 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.926 -0.842 15.570 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.481 0.412 17.103 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.133 0.291 15.990 1.00 0.00 H new ATOM 0 HE ARG A 75 1.910 -2.048 16.494 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.445 -0.414 18.340 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.529 -1.680 19.568 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.030 -3.675 18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.164 -3.524 19.414 1.00 0.00 H new ATOM 1175 N GLN A 76 5.664 -1.372 12.217 1.00 0.00 N ATOM 1176 CA GLN A 76 5.340 -2.503 11.360 1.00 0.00 C ATOM 1177 C GLN A 76 4.228 -3.327 12.000 1.00 0.00 C ATOM 1178 O GLN A 76 4.470 -4.141 12.894 1.00 0.00 O ATOM 1179 CB GLN A 76 6.583 -3.363 11.119 1.00 0.00 C ATOM 1180 CG GLN A 76 6.427 -4.359 9.982 1.00 0.00 C ATOM 1181 CD GLN A 76 7.687 -5.171 9.743 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.798 -4.709 10.002 1.00 0.00 O ATOM 1183 NE2 GLN A 76 7.524 -6.380 9.228 1.00 0.00 N ATOM 0 H GLN A 76 6.579 -1.427 12.663 1.00 0.00 H new ATOM 0 HA GLN A 76 4.994 -2.134 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.429 -2.710 10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.822 -3.905 12.034 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.601 -5.034 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.164 -3.825 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.586 -6.727 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.337 -6.965 9.032 1.00 0.00 H new ATOM 1192 N GLN A 77 3.005 -3.089 11.554 1.00 0.00 N ATOM 1193 CA GLN A 77 1.834 -3.686 12.171 1.00 0.00 C ATOM 1194 C GLN A 77 1.120 -4.599 11.185 1.00 0.00 C ATOM 1195 O GLN A 77 0.763 -4.182 10.084 1.00 0.00 O ATOM 1196 CB GLN A 77 0.902 -2.572 12.659 1.00 0.00 C ATOM 1197 CG GLN A 77 -0.306 -3.043 13.458 1.00 0.00 C ATOM 1198 CD GLN A 77 0.073 -3.895 14.651 1.00 0.00 C ATOM 1199 OE1 GLN A 77 0.394 -3.379 15.725 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -0.003 -5.207 14.485 1.00 0.00 N ATOM 0 H GLN A 77 2.798 -2.482 10.761 1.00 0.00 H new ATOM 0 HA GLN A 77 2.140 -4.294 13.023 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.478 -1.881 13.275 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.549 -2.010 11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.869 -2.175 13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.967 -3.614 12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.273 -5.592 13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.208 -5.833 15.263 1.00 0.00 H new ATOM 1209 N PHE A 78 0.939 -5.851 11.584 1.00 0.00 N ATOM 1210 CA PHE A 78 0.241 -6.829 10.761 1.00 0.00 C ATOM 1211 C PHE A 78 -1.228 -6.440 10.597 1.00 0.00 C ATOM 1212 O PHE A 78 -1.870 -6.000 11.555 1.00 0.00 O ATOM 1213 CB PHE A 78 0.347 -8.224 11.384 1.00 0.00 C ATOM 1214 CG PHE A 78 1.759 -8.723 11.507 1.00 0.00 C ATOM 1215 CD1 PHE A 78 2.375 -9.364 10.444 1.00 0.00 C ATOM 1216 CD2 PHE A 78 2.472 -8.551 12.684 1.00 0.00 C ATOM 1217 CE1 PHE A 78 3.674 -9.823 10.551 1.00 0.00 C ATOM 1218 CE2 PHE A 78 3.771 -9.006 12.796 1.00 0.00 C ATOM 1219 CZ PHE A 78 4.372 -9.645 11.729 1.00 0.00 C ATOM 0 H PHE A 78 1.268 -6.215 12.478 1.00 0.00 H new ATOM 0 HA PHE A 78 0.710 -6.846 9.777 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.111 -8.207 12.373 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.226 -8.927 10.780 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.833 -9.507 9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.006 -8.055 13.523 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.143 -10.320 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.317 -8.862 13.717 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.387 -10.005 11.816 1.00 0.00 H new ATOM 1229 N PRO A 79 -1.770 -6.580 9.375 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.174 -6.279 9.088 1.00 0.00 C ATOM 1231 C PRO A 79 -4.122 -7.321 9.684 1.00 0.00 C ATOM 1232 O PRO A 79 -3.719 -8.157 10.495 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.256 -6.308 7.553 1.00 0.00 C ATOM 1234 CG PRO A 79 -1.845 -6.379 7.071 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.060 -7.026 8.172 1.00 0.00 C ATOM 0 HA PRO A 79 -3.475 -5.326 9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.831 -7.168 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.755 -5.417 7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.777 -6.959 6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.458 -5.384 6.850 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -1.056 -8.112 8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.019 -6.702 8.172 1.00 0.00 H new ATOM 1243 N SER A 80 -5.379 -7.268 9.273 1.00 0.00 N ATOM 1244 CA SER A 80 -6.376 -8.204 9.759 1.00 0.00 C ATOM 1245 C SER A 80 -6.160 -9.585 9.148 1.00 0.00 C ATOM 1246 O SER A 80 -5.808 -9.711 7.971 1.00 0.00 O ATOM 1247 CB SER A 80 -7.777 -7.695 9.429 1.00 0.00 C ATOM 1248 OG SER A 80 -8.771 -8.610 9.856 1.00 0.00 O ATOM 0 H SER A 80 -5.732 -6.585 8.603 1.00 0.00 H new ATOM 0 HA SER A 80 -6.275 -8.287 10.841 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.938 -6.730 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.864 -7.535 8.354 1.00 0.00 H new ATOM 0 HG SER A 80 -9.624 -8.389 9.428 1.00 0.00 H new ATOM 1254 N THR A 81 -6.383 -10.614 9.952 1.00 0.00 N ATOM 1255 CA THR A 81 -6.213 -11.987 9.516 1.00 0.00 C ATOM 1256 C THR A 81 -7.267 -12.377 8.481 1.00 0.00 C ATOM 1257 O THR A 81 -7.058 -13.289 7.678 1.00 0.00 O ATOM 1258 CB THR A 81 -6.288 -12.934 10.724 1.00 0.00 C ATOM 1259 OG1 THR A 81 -7.285 -12.462 11.644 1.00 0.00 O ATOM 1260 CG2 THR A 81 -4.940 -13.028 11.427 1.00 0.00 C ATOM 0 H THR A 81 -6.686 -10.519 10.921 1.00 0.00 H new ATOM 0 HA THR A 81 -5.233 -12.073 9.047 1.00 0.00 H new ATOM 0 HB THR A 81 -6.558 -13.928 10.368 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.333 -13.067 12.413 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.020 -13.704 12.278 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.192 -13.408 10.731 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.642 -12.039 11.776 1.00 0.00 H new ATOM 1268 N ASP A 82 -8.392 -11.670 8.492 1.00 0.00 N ATOM 1269 CA ASP A 82 -9.468 -11.925 7.540 1.00 0.00 C ATOM 1270 C ASP A 82 -9.066 -11.445 6.148 1.00 0.00 C ATOM 1271 O ASP A 82 -9.486 -12.008 5.135 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.757 -11.231 7.996 1.00 0.00 C ATOM 1273 CG ASP A 82 -11.950 -11.555 7.112 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -12.471 -12.689 7.194 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -12.379 -10.681 6.340 1.00 0.00 O ATOM 0 H ASP A 82 -8.583 -10.915 9.150 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.651 -12.999 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.980 -11.528 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.599 -10.152 8.003 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.217 -10.421 6.108 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.728 -9.873 4.847 1.00 0.00 C ATOM 1282 C VAL A 83 -6.703 -10.816 4.223 1.00 0.00 C ATOM 1283 O VAL A 83 -6.650 -10.983 3.002 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.068 -8.489 5.047 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -6.628 -7.896 3.716 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.011 -7.540 5.766 1.00 0.00 C ATOM 0 H VAL A 83 -7.853 -9.953 6.938 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.589 -9.762 4.188 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.182 -8.628 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.167 -6.923 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.906 -8.561 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.495 -7.778 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.525 -6.573 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.919 -7.414 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.266 -7.951 6.743 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.907 -11.449 5.082 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.828 -12.332 4.646 1.00 0.00 C ATOM 1298 C LEU A 84 -5.355 -13.462 3.764 1.00 0.00 C ATOM 1299 O LEU A 84 -4.665 -13.921 2.855 1.00 0.00 O ATOM 1300 CB LEU A 84 -4.097 -12.912 5.859 1.00 0.00 C ATOM 1301 CG LEU A 84 -3.457 -11.879 6.790 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -2.803 -12.565 7.978 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -2.438 -11.037 6.033 1.00 0.00 C ATOM 0 H LEU A 84 -5.991 -11.365 6.095 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.130 -11.740 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.802 -13.510 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.320 -13.589 5.505 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.241 -11.219 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.353 -11.815 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.555 -13.124 8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.031 -13.248 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.993 -10.308 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.657 -11.684 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.933 -10.516 5.214 1.00 0.00 H new ATOM 1315 N ALA A 85 -6.585 -13.893 4.026 1.00 0.00 N ATOM 1316 CA ALA A 85 -7.207 -14.952 3.245 1.00 0.00 C ATOM 1317 C ALA A 85 -7.288 -14.566 1.772 1.00 0.00 C ATOM 1318 O ALA A 85 -6.854 -15.317 0.902 1.00 0.00 O ATOM 1319 CB ALA A 85 -8.591 -15.274 3.783 1.00 0.00 C ATOM 0 H ALA A 85 -7.170 -13.523 4.775 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.585 -15.843 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.038 -16.068 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.511 -15.601 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.218 -14.384 3.731 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.823 -13.381 1.503 1.00 0.00 N ATOM 1326 CA ALA A 86 -7.968 -12.899 0.136 1.00 0.00 C ATOM 1327 C ALA A 86 -6.603 -12.676 -0.508 1.00 0.00 C ATOM 1328 O ALA A 86 -6.400 -12.980 -1.685 1.00 0.00 O ATOM 1329 CB ALA A 86 -8.785 -11.615 0.111 1.00 0.00 C ATOM 0 H ALA A 86 -8.164 -12.736 2.215 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.496 -13.659 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.885 -11.267 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.774 -11.805 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.282 -10.852 0.705 1.00 0.00 H new ATOM 1335 N CYS A 87 -5.668 -12.160 0.281 1.00 0.00 N ATOM 1336 CA CYS A 87 -4.316 -11.898 -0.190 1.00 0.00 C ATOM 1337 C CYS A 87 -3.644 -13.188 -0.659 1.00 0.00 C ATOM 1338 O CYS A 87 -3.041 -13.230 -1.736 1.00 0.00 O ATOM 1339 CB CYS A 87 -3.494 -11.245 0.926 1.00 0.00 C ATOM 1340 SG CYS A 87 -1.839 -10.705 0.430 1.00 0.00 S ATOM 0 H CYS A 87 -5.825 -11.913 1.258 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.370 -11.217 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.043 -10.384 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.399 -11.952 1.750 1.00 0.00 H new ATOM 0 HG CYS A 87 -1.514 -11.277 -0.691 1.00 0.00 H new ATOM 1346 N LEU A 88 -3.772 -14.244 0.142 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.158 -15.530 -0.175 1.00 0.00 C ATOM 1348 C LEU A 88 -3.891 -16.235 -1.312 1.00 0.00 C ATOM 1349 O LEU A 88 -3.260 -16.802 -2.205 1.00 0.00 O ATOM 1350 CB LEU A 88 -3.137 -16.433 1.062 1.00 0.00 C ATOM 1351 CG LEU A 88 -2.292 -15.925 2.232 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -2.391 -16.881 3.409 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -0.840 -15.748 1.808 1.00 0.00 C ATOM 0 H LEU A 88 -4.297 -14.233 1.017 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.135 -15.333 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.161 -16.570 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.766 -17.415 0.768 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.678 -14.954 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.785 -16.507 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.430 -16.958 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.029 -17.865 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.255 -15.386 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.440 -16.705 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.784 -15.026 0.993 1.00 0.00 H new ATOM 1365 N THR A 89 -5.220 -16.190 -1.276 1.00 0.00 N ATOM 1366 CA THR A 89 -6.041 -16.869 -2.276 1.00 0.00 C ATOM 1367 C THR A 89 -5.775 -16.322 -3.678 1.00 0.00 C ATOM 1368 O THR A 89 -5.724 -17.076 -4.651 1.00 0.00 O ATOM 1369 CB THR A 89 -7.545 -16.738 -1.946 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.798 -17.234 -0.624 1.00 0.00 O ATOM 1371 CG2 THR A 89 -8.402 -17.506 -2.943 1.00 0.00 C ATOM 0 H THR A 89 -5.753 -15.690 -0.564 1.00 0.00 H new ATOM 0 HA THR A 89 -5.765 -17.923 -2.253 1.00 0.00 H new ATOM 0 HB THR A 89 -7.809 -15.682 -2.006 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.783 -16.490 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.454 -17.393 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.233 -17.114 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.133 -18.562 -2.916 1.00 0.00 H new ATOM 1379 N ARG A 90 -5.590 -15.012 -3.781 1.00 0.00 N ATOM 1380 CA ARG A 90 -5.337 -14.394 -5.072 1.00 0.00 C ATOM 1381 C ARG A 90 -3.860 -14.470 -5.440 1.00 0.00 C ATOM 1382 O ARG A 90 -3.512 -14.658 -6.605 1.00 0.00 O ATOM 1383 CB ARG A 90 -5.810 -12.942 -5.084 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.310 -12.792 -4.891 1.00 0.00 C ATOM 1385 CD ARG A 90 -7.837 -11.589 -5.649 1.00 0.00 C ATOM 1386 NE ARG A 90 -7.584 -11.720 -7.081 1.00 0.00 N ATOM 1387 CZ ARG A 90 -7.700 -10.731 -7.960 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -8.097 -9.524 -7.569 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -7.427 -10.955 -9.238 1.00 0.00 N ATOM 0 H ARG A 90 -5.610 -14.364 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.904 -14.950 -5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.294 -12.393 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.526 -12.483 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.817 -13.694 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.535 -12.685 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.908 -11.485 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.363 -10.682 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.298 -12.635 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.315 -9.352 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.183 -8.770 -8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.130 -11.883 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.514 -10.200 -9.918 1.00 0.00 H new ATOM 1403 N GLY A 91 -2.997 -14.340 -4.444 1.00 0.00 N ATOM 1404 CA GLY A 91 -1.570 -14.379 -4.698 1.00 0.00 C ATOM 1405 C GLY A 91 -0.982 -12.990 -4.837 1.00 0.00 C ATOM 1406 O GLY A 91 -0.171 -12.734 -5.726 1.00 0.00 O ATOM 0 H GLY A 91 -3.257 -14.208 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.071 -14.905 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.379 -14.947 -5.609 1.00 0.00 H new ATOM 1410 N ILE A 92 -1.402 -12.093 -3.958 1.00 0.00 N ATOM 1411 CA ILE A 92 -0.928 -10.720 -3.981 1.00 0.00 C ATOM 1412 C ILE A 92 0.232 -10.553 -3.004 1.00 0.00 C ATOM 1413 O ILE A 92 0.218 -11.126 -1.913 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.060 -9.731 -3.619 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.260 -9.938 -4.549 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.566 -8.292 -3.705 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -4.450 -9.060 -4.219 1.00 0.00 C ATOM 0 H ILE A 92 -2.073 -12.294 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.589 -10.497 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.372 -9.925 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.950 -9.742 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.567 -10.983 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.378 -7.612 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.738 -8.149 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.228 -8.083 -4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.259 -9.264 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.788 -9.271 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.161 -8.012 -4.294 1.00 0.00 H new ATOM 1429 N GLY A 93 1.238 -9.789 -3.403 1.00 0.00 N ATOM 1430 CA GLY A 93 2.386 -9.573 -2.548 1.00 0.00 C ATOM 1431 C GLY A 93 2.203 -8.376 -1.640 1.00 0.00 C ATOM 1432 O GLY A 93 2.509 -7.249 -2.023 1.00 0.00 O ATOM 0 H GLY A 93 1.280 -9.314 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.559 -10.463 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.274 -9.428 -3.164 1.00 0.00 H new ATOM 1436 N LEU A 94 1.686 -8.616 -0.446 1.00 0.00 N ATOM 1437 CA LEU A 94 1.473 -7.552 0.522 1.00 0.00 C ATOM 1438 C LEU A 94 2.693 -7.405 1.425 1.00 0.00 C ATOM 1439 O LEU A 94 2.905 -8.207 2.338 1.00 0.00 O ATOM 1440 CB LEU A 94 0.224 -7.839 1.362 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.114 -6.788 2.424 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.421 -5.447 1.774 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.285 -7.254 3.276 1.00 0.00 C ATOM 0 H LEU A 94 1.405 -9.542 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 94 1.324 -6.617 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.629 -7.939 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.354 -8.801 1.857 1.00 0.00 H new ATOM 0 HG LEU A 94 0.753 -6.660 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.659 -4.715 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.447 -5.110 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.272 -5.555 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.513 -6.497 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.157 -7.411 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.025 -8.189 3.772 1.00 0.00 H new ATOM 1455 N GLU A 95 3.502 -6.394 1.154 1.00 0.00 N ATOM 1456 CA GLU A 95 4.701 -6.145 1.937 1.00 0.00 C ATOM 1457 C GLU A 95 4.417 -5.114 3.019 1.00 0.00 C ATOM 1458 O GLU A 95 4.234 -3.930 2.728 1.00 0.00 O ATOM 1459 CB GLU A 95 5.840 -5.659 1.038 1.00 0.00 C ATOM 1460 CG GLU A 95 6.241 -6.652 -0.043 1.00 0.00 C ATOM 1461 CD GLU A 95 6.701 -7.980 0.526 1.00 0.00 C ATOM 1462 OE1 GLU A 95 7.750 -8.009 1.208 1.00 0.00 O ATOM 1463 OE2 GLU A 95 6.024 -9.002 0.287 1.00 0.00 O ATOM 0 H GLU A 95 3.349 -5.730 0.395 1.00 0.00 H new ATOM 0 HA GLU A 95 5.004 -7.080 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.542 -4.723 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.710 -5.440 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.394 -6.820 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.041 -6.223 -0.646 1.00 0.00 H new ATOM 1470 N ALA A 96 4.357 -5.569 4.260 1.00 0.00 N ATOM 1471 CA ALA A 96 4.108 -4.683 5.387 1.00 0.00 C ATOM 1472 C ALA A 96 5.409 -4.047 5.863 1.00 0.00 C ATOM 1473 O ALA A 96 6.285 -4.727 6.397 1.00 0.00 O ATOM 1474 CB ALA A 96 3.435 -5.442 6.521 1.00 0.00 C ATOM 0 H ALA A 96 4.478 -6.550 4.513 1.00 0.00 H new ATOM 0 HA ALA A 96 3.437 -3.888 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.256 -4.765 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.485 -5.849 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.081 -6.257 6.847 1.00 0.00 H new ATOM 1480 N MET A 97 5.531 -2.747 5.649 1.00 0.00 N ATOM 1481 CA MET A 97 6.725 -2.007 6.032 1.00 0.00 C ATOM 1482 C MET A 97 6.331 -0.708 6.720 1.00 0.00 C ATOM 1483 O MET A 97 5.152 -0.452 6.958 1.00 0.00 O ATOM 1484 CB MET A 97 7.585 -1.683 4.804 1.00 0.00 C ATOM 1485 CG MET A 97 8.095 -2.901 4.049 1.00 0.00 C ATOM 1486 SD MET A 97 9.112 -2.451 2.629 1.00 0.00 S ATOM 1487 CE MET A 97 9.532 -4.070 1.987 1.00 0.00 C ATOM 0 H MET A 97 4.810 -2.176 5.207 1.00 0.00 H new ATOM 0 HA MET A 97 7.304 -2.629 6.715 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.001 -1.066 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.439 -1.085 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.676 -3.528 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.247 -3.497 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 97 10.499 -4.023 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.583 -4.785 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.770 -4.388 1.275 1.00 0.00 H new ATOM 1497 N THR A 98 7.317 0.110 7.042 1.00 0.00 N ATOM 1498 CA THR A 98 7.055 1.437 7.565 1.00 0.00 C ATOM 1499 C THR A 98 6.951 2.426 6.409 1.00 0.00 C ATOM 1500 O THR A 98 7.341 2.106 5.286 1.00 0.00 O ATOM 1501 CB THR A 98 8.159 1.883 8.543 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.448 1.719 7.937 1.00 0.00 O ATOM 1503 CG2 THR A 98 8.097 1.081 9.834 1.00 0.00 C ATOM 0 H THR A 98 8.306 -0.122 6.950 1.00 0.00 H new ATOM 0 HA THR A 98 6.114 1.411 8.114 1.00 0.00 H new ATOM 0 HB THR A 98 7.999 2.935 8.779 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.144 2.006 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.886 1.414 10.508 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.127 1.230 10.309 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.233 0.023 9.612 1.00 0.00 H new ATOM 1511 N ASN A 99 6.426 3.615 6.682 1.00 0.00 N ATOM 1512 CA ASN A 99 6.251 4.638 5.652 1.00 0.00 C ATOM 1513 C ASN A 99 7.561 4.920 4.915 1.00 0.00 C ATOM 1514 O ASN A 99 7.595 4.966 3.684 1.00 0.00 O ATOM 1515 CB ASN A 99 5.696 5.923 6.279 1.00 0.00 C ATOM 1516 CG ASN A 99 5.647 7.088 5.308 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.566 7.899 5.252 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.577 7.174 4.532 1.00 0.00 N ATOM 0 H ASN A 99 6.112 3.897 7.611 1.00 0.00 H new ATOM 0 HA ASN A 99 5.537 4.263 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.692 5.731 6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.312 6.197 7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.496 7.935 3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.834 6.479 4.609 1.00 0.00 H new ATOM 1525 N ALA A 100 8.640 5.073 5.670 1.00 0.00 N ATOM 1526 CA ALA A 100 9.949 5.342 5.086 1.00 0.00 C ATOM 1527 C ALA A 100 10.461 4.144 4.284 1.00 0.00 C ATOM 1528 O ALA A 100 11.009 4.304 3.193 1.00 0.00 O ATOM 1529 CB ALA A 100 10.945 5.711 6.174 1.00 0.00 C ATOM 0 H ALA A 100 8.636 5.016 6.688 1.00 0.00 H new ATOM 0 HA ALA A 100 9.842 6.182 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.918 5.909 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.599 6.602 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.033 4.886 6.881 1.00 0.00 H new ATOM 1535 N ALA A 101 10.268 2.945 4.822 1.00 0.00 N ATOM 1536 CA ALA A 101 10.780 1.733 4.189 1.00 0.00 C ATOM 1537 C ALA A 101 10.025 1.411 2.904 1.00 0.00 C ATOM 1538 O ALA A 101 10.629 1.037 1.896 1.00 0.00 O ATOM 1539 CB ALA A 101 10.707 0.558 5.154 1.00 0.00 C ATOM 0 H ALA A 101 9.762 2.785 5.693 1.00 0.00 H new ATOM 0 HA ALA A 101 11.823 1.911 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.092 -0.338 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.306 0.776 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.671 0.393 5.449 1.00 0.00 H new ATOM 1545 N ALA A 102 8.707 1.566 2.941 1.00 0.00 N ATOM 1546 CA ALA A 102 7.873 1.280 1.783 1.00 0.00 C ATOM 1547 C ALA A 102 8.196 2.229 0.634 1.00 0.00 C ATOM 1548 O ALA A 102 8.222 1.824 -0.527 1.00 0.00 O ATOM 1549 CB ALA A 102 6.400 1.368 2.152 1.00 0.00 C ATOM 0 H ALA A 102 8.194 1.888 3.761 1.00 0.00 H new ATOM 0 HA ALA A 102 8.086 0.263 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.791 1.151 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.177 0.644 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.174 2.372 2.511 1.00 0.00 H new ATOM 1555 N ALA A 103 8.458 3.489 0.969 1.00 0.00 N ATOM 1556 CA ALA A 103 8.810 4.493 -0.029 1.00 0.00 C ATOM 1557 C ALA A 103 10.116 4.131 -0.733 1.00 0.00 C ATOM 1558 O ALA A 103 10.242 4.279 -1.948 1.00 0.00 O ATOM 1559 CB ALA A 103 8.922 5.864 0.618 1.00 0.00 C ATOM 0 H ALA A 103 8.433 3.839 1.927 1.00 0.00 H new ATOM 0 HA ALA A 103 8.017 4.520 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.185 6.603 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.967 6.132 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.694 5.841 1.387 1.00 0.00 H new ATOM 1565 N ARG A 104 11.077 3.640 0.040 1.00 0.00 N ATOM 1566 CA ARG A 104 12.380 3.254 -0.497 1.00 0.00 C ATOM 1567 C ARG A 104 12.257 2.052 -1.430 1.00 0.00 C ATOM 1568 O ARG A 104 12.896 2.004 -2.481 1.00 0.00 O ATOM 1569 CB ARG A 104 13.348 2.945 0.647 1.00 0.00 C ATOM 1570 CG ARG A 104 13.797 4.184 1.408 1.00 0.00 C ATOM 1571 CD ARG A 104 14.480 3.832 2.720 1.00 0.00 C ATOM 1572 NE ARG A 104 15.612 2.923 2.540 1.00 0.00 N ATOM 1573 CZ ARG A 104 16.528 2.681 3.478 1.00 0.00 C ATOM 1574 NH1 ARG A 104 16.491 3.336 4.635 1.00 0.00 N ATOM 1575 NH2 ARG A 104 17.488 1.796 3.249 1.00 0.00 N ATOM 0 H ARG A 104 10.979 3.499 1.045 1.00 0.00 H new ATOM 0 HA ARG A 104 12.771 4.089 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 104 12.870 2.254 1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 104 14.224 2.437 0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.481 4.762 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 104 12.934 4.819 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.826 4.746 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.754 3.373 3.391 1.00 0.00 H new ATOM 0 HE ARG A 104 15.706 2.446 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.760 4.026 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.194 3.148 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.524 1.302 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 104 18.190 1.609 3.965 1.00 0.00 H new ATOM 1589 N THR A 105 11.424 1.093 -1.051 1.00 0.00 N ATOM 1590 CA THR A 105 11.209 -0.099 -1.860 1.00 0.00 C ATOM 1591 C THR A 105 10.370 0.224 -3.103 1.00 0.00 C ATOM 1592 O THR A 105 10.506 -0.418 -4.150 1.00 0.00 O ATOM 1593 CB THR A 105 10.516 -1.201 -1.031 1.00 0.00 C ATOM 1594 OG1 THR A 105 11.225 -1.394 0.202 1.00 0.00 O ATOM 1595 CG2 THR A 105 10.463 -2.518 -1.794 1.00 0.00 C ATOM 0 H THR A 105 10.884 1.117 -0.186 1.00 0.00 H new ATOM 0 HA THR A 105 12.185 -0.461 -2.185 1.00 0.00 H new ATOM 0 HB THR A 105 9.494 -0.880 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.604 -1.713 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.969 -3.273 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.906 -2.380 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.477 -2.845 -2.026 1.00 0.00 H new ATOM 1603 N TYR A 106 9.519 1.241 -2.984 1.00 0.00 N ATOM 1604 CA TYR A 106 8.639 1.642 -4.079 1.00 0.00 C ATOM 1605 C TYR A 106 9.453 2.097 -5.282 1.00 0.00 C ATOM 1606 O TYR A 106 9.059 1.872 -6.423 1.00 0.00 O ATOM 1607 CB TYR A 106 7.698 2.761 -3.625 1.00 0.00 C ATOM 1608 CG TYR A 106 6.573 3.048 -4.596 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.542 2.136 -4.774 1.00 0.00 C ATOM 1610 CD2 TYR A 106 6.539 4.227 -5.332 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.508 2.388 -5.654 1.00 0.00 C ATOM 1612 CE2 TYR A 106 5.506 4.488 -6.214 1.00 0.00 C ATOM 1613 CZ TYR A 106 4.494 3.563 -6.370 1.00 0.00 C ATOM 1614 OH TYR A 106 3.461 3.818 -7.242 1.00 0.00 O ATOM 0 H TYR A 106 9.420 1.803 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 106 8.042 0.778 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 106 7.271 2.494 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.278 3.672 -3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.549 1.212 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.332 4.951 -5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.714 1.666 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.492 5.410 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 106 2.631 3.949 -6.737 1.00 0.00 H new ATOM 1624 N ASN A 107 10.596 2.719 -5.009 1.00 0.00 N ATOM 1625 CA ASN A 107 11.516 3.163 -6.055 1.00 0.00 C ATOM 1626 C ASN A 107 11.857 2.014 -7.005 1.00 0.00 C ATOM 1627 O ASN A 107 11.836 2.171 -8.225 1.00 0.00 O ATOM 1628 CB ASN A 107 12.797 3.709 -5.414 1.00 0.00 C ATOM 1629 CG ASN A 107 13.868 4.071 -6.429 1.00 0.00 C ATOM 1630 OD1 ASN A 107 13.573 4.520 -7.536 1.00 0.00 O ATOM 1631 ND2 ASN A 107 15.121 3.864 -6.057 1.00 0.00 N ATOM 0 H ASN A 107 10.911 2.929 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 107 11.032 3.951 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.552 4.592 -4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.196 2.965 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.885 4.078 -6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.323 3.490 -5.130 1.00 0.00 H new ATOM 1638 N VAL A 108 12.139 0.851 -6.433 1.00 0.00 N ATOM 1639 CA VAL A 108 12.512 -0.318 -7.218 1.00 0.00 C ATOM 1640 C VAL A 108 11.326 -0.834 -8.024 1.00 0.00 C ATOM 1641 O VAL A 108 11.425 -1.047 -9.235 1.00 0.00 O ATOM 1642 CB VAL A 108 13.038 -1.453 -6.313 1.00 0.00 C ATOM 1643 CG1 VAL A 108 13.382 -2.687 -7.135 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.245 -0.984 -5.515 1.00 0.00 C ATOM 0 H VAL A 108 12.116 0.692 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 108 13.305 -0.008 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 108 12.248 -1.724 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.750 -3.473 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.491 -3.038 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.152 -2.435 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.602 -1.797 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.038 -0.681 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.961 -0.137 -4.890 1.00 0.00 H new ATOM 1654 N LEU A 109 10.197 -1.012 -7.351 1.00 0.00 N ATOM 1655 CA LEU A 109 9.016 -1.592 -7.979 1.00 0.00 C ATOM 1656 C LEU A 109 8.406 -0.652 -9.016 1.00 0.00 C ATOM 1657 O LEU A 109 7.734 -1.099 -9.949 1.00 0.00 O ATOM 1658 CB LEU A 109 7.985 -1.971 -6.916 1.00 0.00 C ATOM 1659 CG LEU A 109 8.448 -3.043 -5.926 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.359 -3.345 -4.915 1.00 0.00 C ATOM 1661 CD2 LEU A 109 8.854 -4.311 -6.665 1.00 0.00 C ATOM 0 H LEU A 109 10.073 -0.763 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 109 9.327 -2.494 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.713 -1.075 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.082 -2.323 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 109 9.317 -2.661 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.709 -4.109 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.114 -2.438 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.471 -3.705 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.180 -5.062 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.002 -4.693 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.671 -4.087 -7.351 1.00 0.00 H new ATOM 1673 N ALA A 110 8.645 0.646 -8.860 1.00 0.00 N ATOM 1674 CA ALA A 110 8.188 1.630 -9.832 1.00 0.00 C ATOM 1675 C ALA A 110 8.916 1.443 -11.158 1.00 0.00 C ATOM 1676 O ALA A 110 8.308 1.499 -12.228 1.00 0.00 O ATOM 1677 CB ALA A 110 8.394 3.041 -9.304 1.00 0.00 C ATOM 0 H ALA A 110 9.153 1.040 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 110 7.121 1.481 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.046 3.761 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 110 7.830 3.170 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.454 3.205 -9.108 1.00 0.00 H new ATOM 1683 N SER A 111 10.220 1.208 -11.082 1.00 0.00 N ATOM 1684 CA SER A 111 11.017 0.950 -12.271 1.00 0.00 C ATOM 1685 C SER A 111 10.700 -0.434 -12.832 1.00 0.00 C ATOM 1686 O SER A 111 10.756 -0.652 -14.042 1.00 0.00 O ATOM 1687 CB SER A 111 12.507 1.087 -11.950 1.00 0.00 C ATOM 1688 OG SER A 111 12.803 2.404 -11.515 1.00 0.00 O ATOM 0 H SER A 111 10.747 1.191 -10.209 1.00 0.00 H new ATOM 0 HA SER A 111 10.765 1.688 -13.032 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.786 0.371 -11.177 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.099 0.848 -12.834 1.00 0.00 H new ATOM 0 HG SER A 111 13.759 2.474 -11.312 1.00 0.00 H new ATOM 1694 N GLU A 112 10.351 -1.364 -11.946 1.00 0.00 N ATOM 1695 CA GLU A 112 9.917 -2.690 -12.355 1.00 0.00 C ATOM 1696 C GLU A 112 8.623 -2.608 -13.155 1.00 0.00 C ATOM 1697 O GLU A 112 8.447 -3.326 -14.140 1.00 0.00 O ATOM 1698 CB GLU A 112 9.720 -3.581 -11.129 1.00 0.00 C ATOM 1699 CG GLU A 112 10.993 -4.260 -10.656 1.00 0.00 C ATOM 1700 CD GLU A 112 11.458 -5.336 -11.615 1.00 0.00 C ATOM 1701 OE1 GLU A 112 12.171 -5.008 -12.588 1.00 0.00 O ATOM 1702 OE2 GLU A 112 11.096 -6.514 -11.410 1.00 0.00 O ATOM 0 H GLU A 112 10.362 -1.219 -10.936 1.00 0.00 H new ATOM 0 HA GLU A 112 10.689 -3.125 -12.989 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.316 -2.979 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.977 -4.344 -11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.779 -3.514 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.824 -4.700 -9.673 1.00 0.00 H new ATOM 1709 N GLY A 113 7.734 -1.713 -12.737 1.00 0.00 N ATOM 1710 CA GLY A 113 6.458 -1.549 -13.409 1.00 0.00 C ATOM 1711 C GLY A 113 5.566 -2.764 -13.241 1.00 0.00 C ATOM 1712 O GLY A 113 4.644 -2.981 -14.024 1.00 0.00 O ATOM 0 H GLY A 113 7.876 -1.094 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.950 -0.669 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.628 -1.368 -14.470 1.00 0.00 H new ATOM 1716 N ARG A 114 5.824 -3.533 -12.189 1.00 0.00 N ATOM 1717 CA ARG A 114 5.142 -4.806 -11.977 1.00 0.00 C ATOM 1718 C ARG A 114 3.829 -4.604 -11.219 1.00 0.00 C ATOM 1719 O ARG A 114 3.534 -5.321 -10.263 1.00 0.00 O ATOM 1720 CB ARG A 114 6.069 -5.766 -11.217 1.00 0.00 C ATOM 1721 CG ARG A 114 5.643 -7.226 -11.284 1.00 0.00 C ATOM 1722 CD ARG A 114 6.674 -8.140 -10.635 1.00 0.00 C ATOM 1723 NE ARG A 114 8.010 -7.950 -11.208 1.00 0.00 N ATOM 1724 CZ ARG A 114 8.608 -8.820 -12.025 1.00 0.00 C ATOM 1725 NH1 ARG A 114 8.019 -9.967 -12.336 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.811 -8.551 -12.514 1.00 0.00 N ATOM 0 H ARG A 114 6.504 -3.296 -11.466 1.00 0.00 H new ATOM 0 HA ARG A 114 4.898 -5.241 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.078 -5.674 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.114 -5.459 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.682 -7.349 -10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.501 -7.517 -12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.708 -7.946 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.369 -9.179 -10.761 1.00 0.00 H new ATOM 0 HE ARG A 114 8.515 -7.098 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.102 -10.190 -11.950 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.483 -10.626 -12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.279 -7.679 -12.266 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.268 -9.216 -13.138 1.00 0.00 H new ATOM 1740 N ARG A 115 3.048 -3.621 -11.671 1.00 0.00 N ATOM 1741 CA ARG A 115 1.736 -3.315 -11.096 1.00 0.00 C ATOM 1742 C ARG A 115 1.808 -3.195 -9.572 1.00 0.00 C ATOM 1743 O ARG A 115 1.273 -4.030 -8.834 1.00 0.00 O ATOM 1744 CB ARG A 115 0.714 -4.378 -11.518 1.00 0.00 C ATOM 1745 CG ARG A 115 -0.733 -4.011 -11.214 1.00 0.00 C ATOM 1746 CD ARG A 115 -1.693 -4.993 -11.864 1.00 0.00 C ATOM 1747 NE ARG A 115 -1.514 -5.038 -13.313 1.00 0.00 N ATOM 1748 CZ ARG A 115 -1.498 -6.159 -14.031 1.00 0.00 C ATOM 1749 NH1 ARG A 115 -1.724 -7.331 -13.455 1.00 0.00 N ATOM 1750 NH2 ARG A 115 -1.270 -6.112 -15.333 1.00 0.00 N ATOM 0 H ARG A 115 3.308 -3.013 -12.448 1.00 0.00 H new ATOM 0 HA ARG A 115 1.412 -2.348 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.814 -4.557 -12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.953 -5.315 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.891 -4.003 -10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.939 -3.003 -11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.536 -5.987 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.719 -4.708 -11.632 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.393 -4.154 -13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -1.912 -7.379 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.710 -8.185 -14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.106 -5.215 -15.790 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.258 -6.973 -15.880 1.00 0.00 H new ATOM 1764 N VAL A 116 2.489 -2.156 -9.113 1.00 0.00 N ATOM 1765 CA VAL A 116 2.684 -1.933 -7.691 1.00 0.00 C ATOM 1766 C VAL A 116 1.728 -0.866 -7.168 1.00 0.00 C ATOM 1767 O VAL A 116 1.477 0.144 -7.830 1.00 0.00 O ATOM 1768 CB VAL A 116 4.148 -1.531 -7.383 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.549 -0.280 -8.153 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.358 -1.332 -5.887 1.00 0.00 C ATOM 0 H VAL A 116 2.918 -1.450 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 116 2.470 -2.872 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 116 4.790 -2.349 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.581 -0.022 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.458 -0.466 -9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.895 0.546 -7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.394 -1.050 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.697 -0.543 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.133 -2.260 -5.361 1.00 0.00 H new ATOM 1780 N ALA A 117 1.174 -1.112 -5.993 1.00 0.00 N ATOM 1781 CA ALA A 117 0.312 -0.149 -5.335 1.00 0.00 C ATOM 1782 C ALA A 117 0.905 0.241 -3.990 1.00 0.00 C ATOM 1783 O ALA A 117 1.152 -0.618 -3.140 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.088 -0.719 -5.160 1.00 0.00 C ATOM 0 H ALA A 117 1.308 -1.979 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 117 0.239 0.743 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.721 0.017 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.507 -0.960 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.040 -1.623 -4.553 1.00 0.00 H new ATOM 1790 N LEU A 118 1.157 1.526 -3.806 1.00 0.00 N ATOM 1791 CA LEU A 118 1.730 2.015 -2.565 1.00 0.00 C ATOM 1792 C LEU A 118 0.624 2.431 -1.606 1.00 0.00 C ATOM 1793 O LEU A 118 -0.015 3.467 -1.793 1.00 0.00 O ATOM 1794 CB LEU A 118 2.664 3.196 -2.834 1.00 0.00 C ATOM 1795 CG LEU A 118 3.510 3.641 -1.641 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.447 2.525 -1.214 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.295 4.897 -1.987 1.00 0.00 C ATOM 0 H LEU A 118 0.973 2.249 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 118 2.309 1.211 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.332 2.931 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.066 4.043 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 118 2.845 3.871 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 118 5.043 2.856 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.864 1.649 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.108 2.268 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.892 5.201 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.953 4.694 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.603 5.697 -2.250 1.00 0.00 H new ATOM 1809 N ALA A 119 0.393 1.616 -0.595 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.631 1.898 0.392 1.00 0.00 C ATOM 1811 C ALA A 119 -0.006 2.514 1.633 1.00 0.00 C ATOM 1812 O ALA A 119 0.543 1.812 2.483 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.397 0.631 0.745 1.00 0.00 C ATOM 0 H ALA A 119 0.904 0.748 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.337 2.613 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.161 0.863 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.871 0.231 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.708 -0.109 1.152 1.00 0.00 H new ATOM 1819 N MET A 120 -0.067 3.829 1.719 1.00 0.00 N ATOM 1820 CA MET A 120 0.522 4.544 2.839 1.00 0.00 C ATOM 1821 C MET A 120 -0.539 4.912 3.854 1.00 0.00 C ATOM 1822 O MET A 120 -1.408 5.741 3.586 1.00 0.00 O ATOM 1823 CB MET A 120 1.241 5.804 2.364 1.00 0.00 C ATOM 1824 CG MET A 120 2.547 5.532 1.640 1.00 0.00 C ATOM 1825 SD MET A 120 3.768 4.726 2.693 1.00 0.00 S ATOM 1826 CE MET A 120 5.213 4.822 1.643 1.00 0.00 C ATOM 0 H MET A 120 -0.519 4.426 1.026 1.00 0.00 H new ATOM 0 HA MET A 120 1.250 3.883 3.310 1.00 0.00 H new ATOM 0 HB2 MET A 120 0.578 6.360 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 120 1.440 6.443 3.224 1.00 0.00 H new ATOM 0 HG2 MET A 120 2.352 4.905 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.956 6.472 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.054 4.333 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 120 5.008 4.324 0.695 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.459 5.868 1.458 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.471 4.283 5.012 1.00 0.00 N ATOM 1837 CA ILE A 121 -1.385 4.580 6.099 1.00 0.00 C ATOM 1838 C ILE A 121 -0.624 5.257 7.228 1.00 0.00 C ATOM 1839 O ILE A 121 0.011 4.593 8.050 1.00 0.00 O ATOM 1840 CB ILE A 121 -2.083 3.304 6.624 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.873 2.634 5.495 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.001 3.635 7.797 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -3.565 1.350 5.905 1.00 0.00 C ATOM 0 H ILE A 121 0.213 3.557 5.225 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.159 5.247 5.719 1.00 0.00 H new ATOM 0 HB ILE A 121 -1.320 2.611 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.620 3.335 5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.196 2.422 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.482 2.723 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.415 4.074 8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.762 4.345 7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -4.102 0.937 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.822 0.630 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.269 1.557 6.711 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.646 6.581 7.238 1.00 0.00 N ATOM 1856 CA VAL A 122 0.068 7.337 8.251 1.00 0.00 C ATOM 1857 C VAL A 122 -0.901 8.139 9.107 1.00 0.00 C ATOM 1858 O VAL A 122 -1.925 8.622 8.621 1.00 0.00 O ATOM 1859 CB VAL A 122 1.129 8.277 7.634 1.00 0.00 C ATOM 1860 CG1 VAL A 122 2.229 7.471 6.965 1.00 0.00 C ATOM 1861 CG2 VAL A 122 0.502 9.238 6.637 1.00 0.00 C ATOM 0 H VAL A 122 -1.149 7.151 6.558 1.00 0.00 H new ATOM 0 HA VAL A 122 0.588 6.614 8.879 1.00 0.00 H new ATOM 0 HB VAL A 122 1.564 8.865 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.967 8.149 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 122 2.711 6.830 7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 122 1.800 6.855 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.274 9.885 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.031 8.672 5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.249 9.846 7.141 1.00 0.00 H new ATOM 1871 N GLY A 123 -0.580 8.258 10.383 1.00 0.00 N ATOM 1872 CA GLY A 123 -1.449 8.950 11.304 1.00 0.00 C ATOM 1873 C GLY A 123 -1.816 8.072 12.479 1.00 0.00 C ATOM 1874 O GLY A 123 -0.967 7.354 13.005 1.00 0.00 O ATOM 0 H GLY A 123 0.273 7.885 10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.956 9.854 11.663 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.355 9.265 10.786 1.00 0.00 H new