USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 71 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0) USER MOD Set 1.2: A 72 ASN : amide:sc= 0.881 K(o=2,f=-3.3) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 GLN : amide:sc= -0.0562 K(o=-0.056,f=-0.6) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.211 (180deg=-0.791) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -84:sc= 0.664 USER MOD Single : A 34 THR OG1 : rot 88:sc= 0.149 USER MOD Single : A 36 GLN : amide:sc= 0.0305 X(o=0.031,f=-0.23) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.179 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.0427 X(o=0.043,f=-0.27) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 110:sc= -0.237 USER MOD Single : A 61 THR OG1 : rot -81:sc= -1.34! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.154 USER MOD Single : A 69 THR OG1 : rot 77:sc= 0.827 USER MOD Single : A 75 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.0013) USER MOD Single : A 77 MET CE :methyl 156:sc= -0.692 (180deg=-2.56!) USER MOD Single : A 79 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.87) USER MOD Single : A 81 TYR OH : rot 120:sc= 0.387 USER MOD Single : A 90 GLN : amide:sc= -2.21 K(o=-2.2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 3.939 14.959 8.065 1.00 23.42 N ATOM 242 CA ASP A 17 3.081 13.905 8.634 1.00 62.23 C ATOM 243 C ASP A 17 1.715 13.839 7.918 1.00 55.21 C ATOM 244 O ASP A 17 0.973 12.889 8.128 1.00 34.41 O ATOM 245 CB ASP A 17 2.880 14.144 10.154 1.00 73.24 C ATOM 246 CG ASP A 17 2.093 15.434 10.467 1.00 1.23 C ATOM 247 OD1 ASP A 17 2.669 16.539 10.329 1.00 32.10 O ATOM 248 OD2 ASP A 17 0.899 15.356 10.836 1.00 34.13 O ATOM 0 HA ASP A 17 3.581 12.948 8.484 1.00 62.23 H new ATOM 0 HB2 ASP A 17 2.353 13.292 10.583 1.00 73.24 H new ATOM 0 HB3 ASP A 17 3.855 14.194 10.640 1.00 73.24 H new ATOM 253 N GLY A 18 1.402 14.847 7.072 1.00 32.22 N ATOM 254 CA GLY A 18 0.105 14.932 6.387 1.00 53.45 C ATOM 255 C GLY A 18 -0.047 13.893 5.277 1.00 50.51 C ATOM 256 O GLY A 18 -1.068 13.195 5.212 1.00 35.25 O ATOM 0 H GLY A 18 2.038 15.613 6.851 1.00 32.22 H new ATOM 0 HA2 GLY A 18 -0.695 14.799 7.115 1.00 53.45 H new ATOM 0 HA3 GLY A 18 -0.012 15.929 5.963 1.00 53.45 H new ATOM 260 N VAL A 19 0.982 13.795 4.404 1.00 34.21 N ATOM 261 CA VAL A 19 1.050 12.775 3.338 1.00 22.34 C ATOM 262 C VAL A 19 1.078 11.377 3.968 1.00 41.03 C ATOM 263 O VAL A 19 0.331 10.496 3.557 1.00 12.14 O ATOM 264 CB VAL A 19 2.303 12.961 2.397 1.00 40.50 C ATOM 265 CG1 VAL A 19 2.410 11.823 1.346 1.00 41.44 C ATOM 266 CG2 VAL A 19 2.262 14.334 1.695 1.00 1.24 C ATOM 0 H VAL A 19 1.787 14.421 4.421 1.00 34.21 H new ATOM 0 HA VAL A 19 0.162 12.894 2.717 1.00 22.34 H new ATOM 0 HB VAL A 19 3.190 12.915 3.029 1.00 40.50 H new ATOM 0 HG11 VAL A 19 3.286 11.989 0.718 1.00 41.44 H new ATOM 0 HG12 VAL A 19 2.505 10.864 1.856 1.00 41.44 H new ATOM 0 HG13 VAL A 19 1.514 11.816 0.725 1.00 41.44 H new ATOM 0 HG21 VAL A 19 3.135 14.440 1.052 1.00 1.24 H new ATOM 0 HG22 VAL A 19 1.357 14.408 1.093 1.00 1.24 H new ATOM 0 HG23 VAL A 19 2.265 15.126 2.444 1.00 1.24 H new ATOM 276 N VAL A 20 1.921 11.225 4.999 1.00 73.42 N ATOM 277 CA VAL A 20 2.074 9.973 5.764 1.00 63.13 C ATOM 278 C VAL A 20 0.722 9.514 6.359 1.00 25.52 C ATOM 279 O VAL A 20 0.354 8.343 6.235 1.00 42.44 O ATOM 280 CB VAL A 20 3.164 10.164 6.894 1.00 34.22 C ATOM 281 CG1 VAL A 20 3.234 8.960 7.870 1.00 62.53 C ATOM 282 CG2 VAL A 20 4.553 10.429 6.254 1.00 55.11 C ATOM 0 H VAL A 20 2.525 11.976 5.332 1.00 73.42 H new ATOM 0 HA VAL A 20 2.411 9.188 5.087 1.00 63.13 H new ATOM 0 HB VAL A 20 2.865 11.029 7.487 1.00 34.22 H new ATOM 0 HG11 VAL A 20 3.999 9.147 8.624 1.00 62.53 H new ATOM 0 HG12 VAL A 20 2.268 8.830 8.358 1.00 62.53 H new ATOM 0 HG13 VAL A 20 3.485 8.056 7.315 1.00 62.53 H new ATOM 0 HG21 VAL A 20 5.297 10.559 7.040 1.00 55.11 H new ATOM 0 HG22 VAL A 20 4.832 9.582 5.627 1.00 55.11 H new ATOM 0 HG23 VAL A 20 4.507 11.332 5.645 1.00 55.11 H new ATOM 292 N ALA A 21 -0.032 10.474 6.931 1.00 51.43 N ATOM 293 CA ALA A 21 -1.335 10.215 7.585 1.00 73.04 C ATOM 294 C ALA A 21 -2.408 9.812 6.567 1.00 45.45 C ATOM 295 O ALA A 21 -3.201 8.895 6.824 1.00 41.15 O ATOM 296 CB ALA A 21 -1.804 11.452 8.378 1.00 22.23 C ATOM 0 H ALA A 21 0.245 11.455 6.954 1.00 51.43 H new ATOM 0 HA ALA A 21 -1.190 9.383 8.274 1.00 73.04 H new ATOM 0 HB1 ALA A 21 -2.763 11.239 8.850 1.00 22.23 H new ATOM 0 HB2 ALA A 21 -1.068 11.693 9.145 1.00 22.23 H new ATOM 0 HB3 ALA A 21 -1.913 12.299 7.700 1.00 22.23 H new ATOM 302 N MET A 22 -2.436 10.507 5.411 1.00 14.14 N ATOM 303 CA MET A 22 -3.439 10.241 4.370 1.00 0.32 C ATOM 304 C MET A 22 -3.114 8.941 3.615 1.00 74.54 C ATOM 305 O MET A 22 -4.024 8.296 3.120 1.00 12.21 O ATOM 306 CB MET A 22 -3.631 11.443 3.401 1.00 74.02 C ATOM 307 CG MET A 22 -2.480 11.711 2.426 1.00 61.41 C ATOM 308 SD MET A 22 -2.849 13.040 1.253 1.00 21.43 S ATOM 309 CE MET A 22 -4.335 12.429 0.440 1.00 71.22 C ATOM 0 H MET A 22 -1.778 11.251 5.180 1.00 14.14 H new ATOM 0 HA MET A 22 -4.396 10.106 4.874 1.00 0.32 H new ATOM 0 HB2 MET A 22 -4.539 11.276 2.822 1.00 74.02 H new ATOM 0 HB3 MET A 22 -3.793 12.342 3.996 1.00 74.02 H new ATOM 0 HG2 MET A 22 -1.584 11.969 2.991 1.00 61.41 H new ATOM 0 HG3 MET A 22 -2.257 10.798 1.875 1.00 61.41 H new ATOM 0 HE1 MET A 22 -4.476 12.955 -0.504 1.00 71.22 H new ATOM 0 HE2 MET A 22 -4.232 11.361 0.249 1.00 71.22 H new ATOM 0 HE3 MET A 22 -5.198 12.601 1.083 1.00 71.22 H new ATOM 319 N ILE A 23 -1.820 8.549 3.544 1.00 31.32 N ATOM 320 CA ILE A 23 -1.431 7.226 3.013 1.00 0.35 C ATOM 321 C ILE A 23 -2.002 6.139 3.937 1.00 55.24 C ATOM 322 O ILE A 23 -2.669 5.221 3.463 1.00 22.03 O ATOM 323 CB ILE A 23 0.138 7.041 2.867 1.00 51.51 C ATOM 324 CG1 ILE A 23 0.719 7.984 1.766 1.00 70.21 C ATOM 325 CG2 ILE A 23 0.516 5.567 2.561 1.00 32.23 C ATOM 326 CD1 ILE A 23 2.235 7.932 1.600 1.00 61.50 C ATOM 0 H ILE A 23 -1.035 9.127 3.846 1.00 31.32 H new ATOM 0 HA ILE A 23 -1.841 7.143 2.007 1.00 0.35 H new ATOM 0 HB ILE A 23 0.580 7.312 3.826 1.00 51.51 H new ATOM 0 HG12 ILE A 23 0.256 7.731 0.812 1.00 70.21 H new ATOM 0 HG13 ILE A 23 0.430 9.009 1.998 1.00 70.21 H new ATOM 0 HG21 ILE A 23 1.599 5.481 2.468 1.00 32.23 H new ATOM 0 HG22 ILE A 23 0.169 4.927 3.372 1.00 32.23 H new ATOM 0 HG23 ILE A 23 0.046 5.257 1.628 1.00 32.23 H new ATOM 0 HD11 ILE A 23 2.539 8.622 0.812 1.00 61.50 H new ATOM 0 HD12 ILE A 23 2.714 8.217 2.537 1.00 61.50 H new ATOM 0 HD13 ILE A 23 2.537 6.920 1.332 1.00 61.50 H new ATOM 338 N LYS A 24 -1.781 6.305 5.264 1.00 72.30 N ATOM 339 CA LYS A 24 -2.253 5.352 6.294 1.00 23.24 C ATOM 340 C LYS A 24 -3.767 5.139 6.225 1.00 24.12 C ATOM 341 O LYS A 24 -4.226 4.003 6.348 1.00 64.43 O ATOM 342 CB LYS A 24 -1.878 5.825 7.721 1.00 33.53 C ATOM 343 CG LYS A 24 -0.372 5.844 8.028 1.00 31.50 C ATOM 344 CD LYS A 24 -0.094 6.248 9.494 1.00 53.42 C ATOM 345 CE LYS A 24 1.401 6.370 9.805 1.00 32.42 C ATOM 346 NZ LYS A 24 1.658 6.606 11.247 1.00 72.11 N ATOM 0 H LYS A 24 -1.272 7.101 5.648 1.00 72.30 H new ATOM 0 HA LYS A 24 -1.753 4.407 6.084 1.00 23.24 H new ATOM 0 HB2 LYS A 24 -2.276 6.829 7.870 1.00 33.53 H new ATOM 0 HB3 LYS A 24 -2.372 5.175 8.444 1.00 33.53 H new ATOM 0 HG2 LYS A 24 0.051 4.858 7.835 1.00 31.50 H new ATOM 0 HG3 LYS A 24 0.128 6.542 7.357 1.00 31.50 H new ATOM 0 HD2 LYS A 24 -0.582 7.200 9.702 1.00 53.42 H new ATOM 0 HD3 LYS A 24 -0.539 5.509 10.160 1.00 53.42 H new ATOM 0 HE2 LYS A 24 1.911 5.459 9.492 1.00 32.42 H new ATOM 0 HE3 LYS A 24 1.825 7.189 9.224 1.00 32.42 H new ATOM 0 HZ1 LYS A 24 2.682 6.682 11.409 1.00 72.11 H new ATOM 0 HZ2 LYS A 24 1.195 7.489 11.542 1.00 72.11 H new ATOM 0 HZ3 LYS A 24 1.277 5.813 11.802 1.00 72.11 H new ATOM 360 N GLU A 25 -4.538 6.233 6.022 1.00 73.12 N ATOM 361 CA GLU A 25 -6.006 6.150 5.971 1.00 3.41 C ATOM 362 C GLU A 25 -6.437 5.466 4.657 1.00 55.43 C ATOM 363 O GLU A 25 -7.264 4.578 4.695 1.00 32.21 O ATOM 364 CB GLU A 25 -6.689 7.548 6.149 1.00 73.21 C ATOM 365 CG GLU A 25 -6.781 8.415 4.880 1.00 74.14 C ATOM 366 CD GLU A 25 -7.423 9.789 5.115 1.00 55.22 C ATOM 367 OE1 GLU A 25 -6.708 10.738 5.499 1.00 70.20 O ATOM 368 OE2 GLU A 25 -8.646 9.927 4.919 1.00 73.15 O ATOM 0 H GLU A 25 -4.166 7.174 5.892 1.00 73.12 H new ATOM 0 HA GLU A 25 -6.344 5.545 6.812 1.00 3.41 H new ATOM 0 HB2 GLU A 25 -7.697 7.393 6.534 1.00 73.21 H new ATOM 0 HB3 GLU A 25 -6.140 8.105 6.908 1.00 73.21 H new ATOM 0 HG2 GLU A 25 -5.779 8.557 4.474 1.00 74.14 H new ATOM 0 HG3 GLU A 25 -7.357 7.879 4.126 1.00 74.14 H new ATOM 375 N LEU A 26 -5.810 5.841 3.506 1.00 73.24 N ATOM 376 CA LEU A 26 -6.126 5.262 2.174 1.00 30.23 C ATOM 377 C LEU A 26 -5.842 3.746 2.155 1.00 13.41 C ATOM 378 O LEU A 26 -6.490 2.996 1.429 1.00 64.42 O ATOM 379 CB LEU A 26 -5.320 5.969 1.041 1.00 3.12 C ATOM 380 CG LEU A 26 -5.702 7.450 0.710 1.00 14.33 C ATOM 381 CD1 LEU A 26 -4.747 8.054 -0.343 1.00 74.21 C ATOM 382 CD2 LEU A 26 -7.169 7.577 0.257 1.00 1.25 C ATOM 0 H LEU A 26 -5.076 6.549 3.479 1.00 73.24 H new ATOM 0 HA LEU A 26 -7.188 5.425 1.991 1.00 30.23 H new ATOM 0 HB2 LEU A 26 -4.264 5.945 1.311 1.00 3.12 H new ATOM 0 HB3 LEU A 26 -5.429 5.380 0.130 1.00 3.12 H new ATOM 0 HG LEU A 26 -5.594 8.021 1.632 1.00 14.33 H new ATOM 0 HD11 LEU A 26 -5.039 9.083 -0.551 1.00 74.21 H new ATOM 0 HD12 LEU A 26 -3.726 8.037 0.039 1.00 74.21 H new ATOM 0 HD13 LEU A 26 -4.801 7.469 -1.261 1.00 74.21 H new ATOM 0 HD21 LEU A 26 -7.393 8.621 0.037 1.00 1.25 H new ATOM 0 HD22 LEU A 26 -7.327 6.976 -0.638 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -7.827 7.224 1.051 1.00 1.25 H new ATOM 394 N LEU A 27 -4.861 3.308 2.954 1.00 15.33 N ATOM 395 CA LEU A 27 -4.577 1.884 3.161 1.00 71.13 C ATOM 396 C LEU A 27 -5.670 1.259 4.038 1.00 25.22 C ATOM 397 O LEU A 27 -6.361 0.343 3.616 1.00 42.42 O ATOM 398 CB LEU A 27 -3.186 1.700 3.820 1.00 20.11 C ATOM 399 CG LEU A 27 -1.961 2.186 2.989 1.00 0.24 C ATOM 400 CD1 LEU A 27 -0.663 2.109 3.814 1.00 32.35 C ATOM 401 CD2 LEU A 27 -1.835 1.406 1.662 1.00 65.42 C ATOM 0 H LEU A 27 -4.243 3.931 3.474 1.00 15.33 H new ATOM 0 HA LEU A 27 -4.567 1.381 2.194 1.00 71.13 H new ATOM 0 HB2 LEU A 27 -3.186 2.230 4.773 1.00 20.11 H new ATOM 0 HB3 LEU A 27 -3.050 0.642 4.044 1.00 20.11 H new ATOM 0 HG LEU A 27 -2.128 3.233 2.736 1.00 0.24 H new ATOM 0 HD11 LEU A 27 0.174 2.454 3.208 1.00 32.35 H new ATOM 0 HD12 LEU A 27 -0.756 2.740 4.698 1.00 32.35 H new ATOM 0 HD13 LEU A 27 -0.488 1.078 4.121 1.00 32.35 H new ATOM 0 HD21 LEU A 27 -0.970 1.770 1.107 1.00 65.42 H new ATOM 0 HD22 LEU A 27 -1.709 0.344 1.875 1.00 65.42 H new ATOM 0 HD23 LEU A 27 -2.736 1.553 1.067 1.00 65.42 H new ATOM 413 N ASP A 28 -5.855 1.823 5.233 1.00 63.41 N ATOM 414 CA ASP A 28 -6.672 1.223 6.309 1.00 60.10 C ATOM 415 C ASP A 28 -8.162 1.107 5.934 1.00 31.01 C ATOM 416 O ASP A 28 -8.849 0.170 6.352 1.00 41.10 O ATOM 417 CB ASP A 28 -6.505 2.053 7.603 1.00 24.45 C ATOM 418 CG ASP A 28 -7.114 1.379 8.840 1.00 44.31 C ATOM 419 OD1 ASP A 28 -6.442 0.520 9.438 1.00 14.02 O ATOM 420 OD2 ASP A 28 -8.261 1.691 9.213 1.00 54.00 O ATOM 0 H ASP A 28 -5.441 2.719 5.491 1.00 63.41 H new ATOM 0 HA ASP A 28 -6.313 0.206 6.467 1.00 60.10 H new ATOM 0 HB2 ASP A 28 -5.444 2.229 7.779 1.00 24.45 H new ATOM 0 HB3 ASP A 28 -6.971 3.029 7.463 1.00 24.45 H new ATOM 425 N THR A 29 -8.637 2.065 5.138 1.00 24.22 N ATOM 426 CA THR A 29 -10.051 2.183 4.761 1.00 31.13 C ATOM 427 C THR A 29 -10.357 1.426 3.453 1.00 73.03 C ATOM 428 O THR A 29 -11.480 0.956 3.263 1.00 13.54 O ATOM 429 CB THR A 29 -10.453 3.693 4.614 1.00 2.44 C ATOM 430 OG1 THR A 29 -9.676 4.314 3.576 1.00 4.11 O ATOM 431 CG2 THR A 29 -10.266 4.466 5.936 1.00 44.22 C ATOM 0 H THR A 29 -8.047 2.790 4.731 1.00 24.22 H new ATOM 0 HA THR A 29 -10.642 1.729 5.557 1.00 31.13 H new ATOM 0 HB THR A 29 -11.510 3.727 4.351 1.00 2.44 H new ATOM 0 HG1 THR A 29 -8.813 4.601 3.941 1.00 4.11 H new ATOM 0 HG21 THR A 29 -10.555 5.507 5.793 1.00 44.22 H new ATOM 0 HG22 THR A 29 -10.890 4.019 6.710 1.00 44.22 H new ATOM 0 HG23 THR A 29 -9.221 4.418 6.241 1.00 44.22 H new ATOM 439 N ARG A 30 -9.350 1.299 2.562 1.00 21.54 N ATOM 440 CA ARG A 30 -9.550 0.771 1.184 1.00 75.14 C ATOM 441 C ARG A 30 -8.782 -0.552 0.967 1.00 3.32 C ATOM 442 O ARG A 30 -9.393 -1.590 0.685 1.00 73.50 O ATOM 443 CB ARG A 30 -9.103 1.837 0.152 1.00 42.43 C ATOM 444 CG ARG A 30 -9.756 3.229 0.368 1.00 24.24 C ATOM 445 CD ARG A 30 -9.126 4.342 -0.482 1.00 63.21 C ATOM 446 NE ARG A 30 -9.367 4.180 -1.928 1.00 52.22 N ATOM 447 CZ ARG A 30 -9.882 5.123 -2.738 1.00 21.51 C ATOM 448 NH1 ARG A 30 -10.232 6.316 -2.258 1.00 43.04 N ATOM 449 NH2 ARG A 30 -10.012 4.885 -4.027 1.00 4.42 N ATOM 0 H ARG A 30 -8.384 1.555 2.769 1.00 21.54 H new ATOM 0 HA ARG A 30 -10.610 0.556 1.047 1.00 75.14 H new ATOM 0 HB2 ARG A 30 -8.019 1.943 0.199 1.00 42.43 H new ATOM 0 HB3 ARG A 30 -9.346 1.484 -0.850 1.00 42.43 H new ATOM 0 HG2 ARG A 30 -10.819 3.163 0.135 1.00 24.24 H new ATOM 0 HG3 ARG A 30 -9.677 3.499 1.421 1.00 24.24 H new ATOM 0 HD2 ARG A 30 -9.524 5.304 -0.160 1.00 63.21 H new ATOM 0 HD3 ARG A 30 -8.052 4.364 -0.300 1.00 63.21 H new ATOM 0 HE ARG A 30 -9.124 3.282 -2.347 1.00 52.22 H new ATOM 0 HH11 ARG A 30 -10.111 6.522 -1.267 1.00 43.04 H new ATOM 0 HH12 ARG A 30 -10.621 7.023 -2.882 1.00 43.04 H new ATOM 0 HH21 ARG A 30 -9.722 3.986 -4.411 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -10.402 5.600 -4.641 1.00 4.42 H new ATOM 463 N ILE A 31 -7.447 -0.508 1.156 1.00 55.31 N ATOM 464 CA ILE A 31 -6.535 -1.621 0.792 1.00 15.22 C ATOM 465 C ILE A 31 -6.599 -2.762 1.825 1.00 71.21 C ATOM 466 O ILE A 31 -6.924 -3.892 1.463 1.00 52.35 O ATOM 467 CB ILE A 31 -5.047 -1.125 0.644 1.00 21.52 C ATOM 468 CG1 ILE A 31 -4.926 -0.009 -0.438 1.00 3.52 C ATOM 469 CG2 ILE A 31 -4.077 -2.296 0.338 1.00 44.01 C ATOM 470 CD1 ILE A 31 -5.274 -0.440 -1.853 1.00 65.13 C ATOM 0 H ILE A 31 -6.969 0.295 1.564 1.00 55.31 H new ATOM 0 HA ILE A 31 -6.873 -2.001 -0.172 1.00 15.22 H new ATOM 0 HB ILE A 31 -4.756 -0.699 1.604 1.00 21.52 H new ATOM 0 HG12 ILE A 31 -5.577 0.819 -0.157 1.00 3.52 H new ATOM 0 HG13 ILE A 31 -3.905 0.372 -0.432 1.00 3.52 H new ATOM 0 HG21 ILE A 31 -3.061 -1.912 0.243 1.00 44.01 H new ATOM 0 HG22 ILE A 31 -4.116 -3.022 1.150 1.00 44.01 H new ATOM 0 HG23 ILE A 31 -4.371 -2.778 -0.594 1.00 44.01 H new ATOM 0 HD11 ILE A 31 -5.159 0.406 -2.530 1.00 65.13 H new ATOM 0 HD12 ILE A 31 -4.608 -1.245 -2.162 1.00 65.13 H new ATOM 0 HD13 ILE A 31 -6.306 -0.791 -1.883 1.00 65.13 H new ATOM 482 N ARG A 32 -6.294 -2.441 3.110 1.00 22.35 N ATOM 483 CA ARG A 32 -6.267 -3.421 4.222 1.00 12.25 C ATOM 484 C ARG A 32 -7.534 -4.316 4.264 1.00 1.02 C ATOM 485 O ARG A 32 -7.367 -5.527 4.343 1.00 5.20 O ATOM 486 CB ARG A 32 -6.051 -2.755 5.614 1.00 4.01 C ATOM 487 CG ARG A 32 -4.700 -2.025 5.810 1.00 14.01 C ATOM 488 CD ARG A 32 -4.443 -1.662 7.289 1.00 62.10 C ATOM 489 NE ARG A 32 -4.345 -2.884 8.105 1.00 43.42 N ATOM 490 CZ ARG A 32 -4.869 -3.088 9.328 1.00 42.01 C ATOM 491 NH1 ARG A 32 -5.571 -2.160 9.934 1.00 5.25 N ATOM 492 NH2 ARG A 32 -4.714 -4.265 9.907 1.00 50.02 N ATOM 0 H ARG A 32 -6.060 -1.492 3.402 1.00 22.35 H new ATOM 0 HA ARG A 32 -5.405 -4.054 4.011 1.00 12.25 H new ATOM 0 HB2 ARG A 32 -6.856 -2.040 5.782 1.00 4.01 H new ATOM 0 HB3 ARG A 32 -6.142 -3.524 6.381 1.00 4.01 H new ATOM 0 HG2 ARG A 32 -3.891 -2.658 5.447 1.00 14.01 H new ATOM 0 HG3 ARG A 32 -4.689 -1.117 5.207 1.00 14.01 H new ATOM 0 HD2 ARG A 32 -3.522 -1.085 7.374 1.00 62.10 H new ATOM 0 HD3 ARG A 32 -5.250 -1.031 7.661 1.00 62.10 H new ATOM 0 HE ARG A 32 -3.823 -3.661 7.699 1.00 43.42 H new ATOM 0 HH11 ARG A 32 -5.729 -1.261 9.478 1.00 5.25 H new ATOM 0 HH12 ARG A 32 -5.958 -2.337 10.861 1.00 5.25 H new ATOM 0 HH21 ARG A 32 -4.202 -5.006 9.428 1.00 50.02 H new ATOM 0 HH22 ARG A 32 -5.106 -4.433 10.834 1.00 50.02 H new ATOM 506 N PRO A 33 -8.816 -3.763 4.182 1.00 42.10 N ATOM 507 CA PRO A 33 -10.045 -4.605 4.080 1.00 14.41 C ATOM 508 C PRO A 33 -9.925 -5.699 3.001 1.00 31.41 C ATOM 509 O PRO A 33 -10.077 -6.880 3.302 1.00 13.30 O ATOM 510 CB PRO A 33 -11.156 -3.582 3.718 1.00 43.22 C ATOM 511 CG PRO A 33 -10.696 -2.304 4.347 1.00 71.34 C ATOM 512 CD PRO A 33 -9.185 -2.313 4.220 1.00 60.33 C ATOM 0 HA PRO A 33 -10.243 -5.152 5.002 1.00 14.41 H new ATOM 0 HB2 PRO A 33 -11.265 -3.478 2.639 1.00 43.22 H new ATOM 0 HB3 PRO A 33 -12.125 -3.892 4.108 1.00 43.22 H new ATOM 0 HG2 PRO A 33 -11.127 -1.440 3.842 1.00 71.34 H new ATOM 0 HG3 PRO A 33 -11.002 -2.248 5.392 1.00 71.34 H new ATOM 0 HD2 PRO A 33 -8.860 -1.798 3.316 1.00 60.33 H new ATOM 0 HD3 PRO A 33 -8.714 -1.806 5.062 1.00 60.33 H new ATOM 520 N THR A 34 -9.546 -5.280 1.777 1.00 21.00 N ATOM 521 CA THR A 34 -9.426 -6.164 0.597 1.00 52.32 C ATOM 522 C THR A 34 -8.398 -7.303 0.816 1.00 33.35 C ATOM 523 O THR A 34 -8.689 -8.471 0.515 1.00 4.34 O ATOM 524 CB THR A 34 -9.044 -5.310 -0.662 1.00 34.34 C ATOM 525 OG1 THR A 34 -10.032 -4.282 -0.856 1.00 13.24 O ATOM 526 CG2 THR A 34 -8.923 -6.151 -1.951 1.00 32.41 C ATOM 0 H THR A 34 -9.312 -4.308 1.576 1.00 21.00 H new ATOM 0 HA THR A 34 -10.393 -6.641 0.437 1.00 52.32 H new ATOM 0 HB THR A 34 -8.062 -4.878 -0.469 1.00 34.34 H new ATOM 0 HG1 THR A 34 -9.783 -3.487 -0.340 1.00 13.24 H new ATOM 0 HG21 THR A 34 -8.657 -5.502 -2.785 1.00 32.41 H new ATOM 0 HG22 THR A 34 -8.150 -6.909 -1.820 1.00 32.41 H new ATOM 0 HG23 THR A 34 -9.876 -6.637 -2.159 1.00 32.41 H new ATOM 534 N VAL A 35 -7.221 -6.956 1.380 1.00 74.41 N ATOM 535 CA VAL A 35 -6.128 -7.931 1.622 1.00 74.32 C ATOM 536 C VAL A 35 -6.507 -8.899 2.766 1.00 12.51 C ATOM 537 O VAL A 35 -6.120 -10.069 2.753 1.00 24.01 O ATOM 538 CB VAL A 35 -4.746 -7.227 1.941 1.00 63.14 C ATOM 539 CG1 VAL A 35 -3.565 -8.228 1.805 1.00 60.11 C ATOM 540 CG2 VAL A 35 -4.516 -5.997 1.034 1.00 5.14 C ATOM 0 H VAL A 35 -7.000 -6.006 1.678 1.00 74.41 H new ATOM 0 HA VAL A 35 -5.999 -8.495 0.698 1.00 74.32 H new ATOM 0 HB VAL A 35 -4.788 -6.882 2.974 1.00 63.14 H new ATOM 0 HG11 VAL A 35 -2.628 -7.718 2.030 1.00 60.11 H new ATOM 0 HG12 VAL A 35 -3.705 -9.053 2.503 1.00 60.11 H new ATOM 0 HG13 VAL A 35 -3.532 -8.616 0.787 1.00 60.11 H new ATOM 0 HG21 VAL A 35 -3.558 -5.538 1.280 1.00 5.14 H new ATOM 0 HG22 VAL A 35 -4.511 -6.311 -0.010 1.00 5.14 H new ATOM 0 HG23 VAL A 35 -5.316 -5.274 1.192 1.00 5.14 H new ATOM 550 N GLN A 36 -7.296 -8.395 3.733 1.00 63.21 N ATOM 551 CA GLN A 36 -7.789 -9.195 4.873 1.00 54.11 C ATOM 552 C GLN A 36 -8.896 -10.163 4.434 1.00 42.24 C ATOM 553 O GLN A 36 -9.057 -11.222 5.044 1.00 63.22 O ATOM 554 CB GLN A 36 -8.270 -8.281 6.027 1.00 24.20 C ATOM 555 CG GLN A 36 -7.139 -7.489 6.715 1.00 41.33 C ATOM 556 CD GLN A 36 -7.623 -6.513 7.788 1.00 53.01 C ATOM 557 OE1 GLN A 36 -8.638 -6.739 8.451 1.00 51.23 O ATOM 558 NE2 GLN A 36 -6.904 -5.410 7.967 1.00 43.30 N ATOM 0 H GLN A 36 -7.610 -7.425 3.748 1.00 63.21 H new ATOM 0 HA GLN A 36 -6.957 -9.792 5.246 1.00 54.11 H new ATOM 0 HB2 GLN A 36 -9.006 -7.578 5.637 1.00 24.20 H new ATOM 0 HB3 GLN A 36 -8.777 -8.892 6.773 1.00 24.20 H new ATOM 0 HG2 GLN A 36 -6.441 -8.193 7.168 1.00 41.33 H new ATOM 0 HG3 GLN A 36 -6.586 -6.934 5.957 1.00 41.33 H new ATOM 0 HE21 GLN A 36 -6.069 -5.249 7.404 1.00 43.30 H new ATOM 0 HE22 GLN A 36 -7.187 -4.725 8.667 1.00 43.30 H new ATOM 567 N GLU A 37 -9.646 -9.812 3.361 1.00 71.35 N ATOM 568 CA GLU A 37 -10.607 -10.743 2.728 1.00 51.13 C ATOM 569 C GLU A 37 -9.823 -11.846 1.993 1.00 12.34 C ATOM 570 O GLU A 37 -10.214 -13.014 2.005 1.00 74.14 O ATOM 571 CB GLU A 37 -11.559 -10.012 1.731 1.00 45.12 C ATOM 572 CG GLU A 37 -12.318 -8.793 2.299 1.00 55.34 C ATOM 573 CD GLU A 37 -13.055 -9.076 3.619 1.00 30.43 C ATOM 574 OE1 GLU A 37 -14.122 -9.727 3.583 1.00 15.44 O ATOM 575 OE2 GLU A 37 -12.572 -8.654 4.694 1.00 73.31 O ATOM 0 H GLU A 37 -9.603 -8.894 2.918 1.00 71.35 H new ATOM 0 HA GLU A 37 -11.230 -11.176 3.511 1.00 51.13 H new ATOM 0 HB2 GLU A 37 -10.973 -9.684 0.873 1.00 45.12 H new ATOM 0 HB3 GLU A 37 -12.290 -10.732 1.362 1.00 45.12 H new ATOM 0 HG2 GLU A 37 -11.611 -7.979 2.457 1.00 55.34 H new ATOM 0 HG3 GLU A 37 -13.040 -8.449 1.558 1.00 55.34 H new ATOM 582 N ASP A 38 -8.696 -11.437 1.379 1.00 50.32 N ATOM 583 CA ASP A 38 -7.771 -12.334 0.651 1.00 13.14 C ATOM 584 C ASP A 38 -6.998 -13.260 1.622 1.00 1.25 C ATOM 585 O ASP A 38 -6.525 -14.334 1.224 1.00 24.35 O ATOM 586 CB ASP A 38 -6.797 -11.454 -0.188 1.00 31.13 C ATOM 587 CG ASP A 38 -5.721 -12.247 -0.949 1.00 30.52 C ATOM 588 OD1 ASP A 38 -6.063 -12.921 -1.941 1.00 73.20 O ATOM 589 OD2 ASP A 38 -4.530 -12.194 -0.561 1.00 33.53 O ATOM 0 H ASP A 38 -8.396 -10.462 1.373 1.00 50.32 H new ATOM 0 HA ASP A 38 -8.340 -12.987 -0.011 1.00 13.14 H new ATOM 0 HB2 ASP A 38 -7.377 -10.873 -0.904 1.00 31.13 H new ATOM 0 HB3 ASP A 38 -6.306 -10.743 0.476 1.00 31.13 H new ATOM 594 N GLY A 39 -6.901 -12.847 2.901 1.00 0.33 N ATOM 595 CA GLY A 39 -6.325 -13.684 3.964 1.00 44.32 C ATOM 596 C GLY A 39 -5.102 -13.062 4.637 1.00 3.33 C ATOM 597 O GLY A 39 -4.725 -13.480 5.734 1.00 10.34 O ATOM 0 H GLY A 39 -7.217 -11.932 3.221 1.00 0.33 H new ATOM 0 HA2 GLY A 39 -7.088 -13.874 4.719 1.00 44.32 H new ATOM 0 HA3 GLY A 39 -6.046 -14.650 3.543 1.00 44.32 H new ATOM 601 N GLY A 40 -4.480 -12.066 3.975 1.00 12.24 N ATOM 602 CA GLY A 40 -3.285 -11.387 4.503 1.00 61.45 C ATOM 603 C GLY A 40 -3.596 -10.013 5.087 1.00 4.04 C ATOM 604 O GLY A 40 -4.666 -9.809 5.665 1.00 44.44 O ATOM 0 H GLY A 40 -4.790 -11.714 3.069 1.00 12.24 H new ATOM 0 HA2 GLY A 40 -2.829 -12.009 5.273 1.00 61.45 H new ATOM 0 HA3 GLY A 40 -2.551 -11.280 3.704 1.00 61.45 H new ATOM 608 N ASP A 41 -2.641 -9.076 4.914 1.00 72.42 N ATOM 609 CA ASP A 41 -2.761 -7.671 5.365 1.00 11.25 C ATOM 610 C ASP A 41 -1.568 -6.850 4.825 1.00 34.24 C ATOM 611 O ASP A 41 -0.567 -7.421 4.368 1.00 75.54 O ATOM 612 CB ASP A 41 -2.823 -7.576 6.925 1.00 34.22 C ATOM 613 CG ASP A 41 -3.162 -6.170 7.453 1.00 74.53 C ATOM 614 OD1 ASP A 41 -4.090 -5.536 6.906 1.00 61.30 O ATOM 615 OD2 ASP A 41 -2.531 -5.703 8.428 1.00 15.32 O ATOM 0 H ASP A 41 -1.754 -9.275 4.452 1.00 72.42 H new ATOM 0 HA ASP A 41 -3.692 -7.262 4.972 1.00 11.25 H new ATOM 0 HB2 ASP A 41 -3.569 -8.281 7.292 1.00 34.22 H new ATOM 0 HB3 ASP A 41 -1.862 -7.886 7.336 1.00 34.22 H new ATOM 620 N VAL A 42 -1.689 -5.509 4.882 1.00 45.15 N ATOM 621 CA VAL A 42 -0.615 -4.569 4.509 1.00 12.44 C ATOM 622 C VAL A 42 -0.360 -3.603 5.687 1.00 64.21 C ATOM 623 O VAL A 42 -1.293 -2.975 6.217 1.00 11.21 O ATOM 624 CB VAL A 42 -0.931 -3.772 3.177 1.00 21.34 C ATOM 625 CG1 VAL A 42 -1.011 -4.728 1.960 1.00 25.12 C ATOM 626 CG2 VAL A 42 -2.229 -2.941 3.299 1.00 23.51 C ATOM 0 H VAL A 42 -2.543 -5.044 5.191 1.00 45.15 H new ATOM 0 HA VAL A 42 0.285 -5.149 4.303 1.00 12.44 H new ATOM 0 HB VAL A 42 -0.106 -3.077 3.017 1.00 21.34 H new ATOM 0 HG11 VAL A 42 -1.229 -4.153 1.060 1.00 25.12 H new ATOM 0 HG12 VAL A 42 -0.058 -5.244 1.839 1.00 25.12 H new ATOM 0 HG13 VAL A 42 -1.802 -5.460 2.124 1.00 25.12 H new ATOM 0 HG21 VAL A 42 -2.410 -2.410 2.365 1.00 23.51 H new ATOM 0 HG22 VAL A 42 -3.068 -3.605 3.507 1.00 23.51 H new ATOM 0 HG23 VAL A 42 -2.125 -2.222 4.111 1.00 23.51 H new ATOM 636 N ILE A 43 0.905 -3.542 6.130 1.00 45.52 N ATOM 637 CA ILE A 43 1.335 -2.696 7.258 1.00 33.14 C ATOM 638 C ILE A 43 2.203 -1.552 6.713 1.00 41.33 C ATOM 639 O ILE A 43 3.178 -1.807 6.009 1.00 42.51 O ATOM 640 CB ILE A 43 2.157 -3.511 8.355 1.00 54.33 C ATOM 641 CG1 ILE A 43 1.322 -4.684 8.998 1.00 2.24 C ATOM 642 CG2 ILE A 43 2.697 -2.567 9.467 1.00 64.12 C ATOM 643 CD1 ILE A 43 1.084 -5.897 8.109 1.00 32.22 C ATOM 0 H ILE A 43 1.665 -4.081 5.714 1.00 45.52 H new ATOM 0 HA ILE A 43 0.441 -2.310 7.748 1.00 33.14 H new ATOM 0 HB ILE A 43 2.999 -3.962 7.830 1.00 54.33 H new ATOM 0 HG12 ILE A 43 1.834 -5.015 9.902 1.00 2.24 H new ATOM 0 HG13 ILE A 43 0.354 -4.288 9.306 1.00 2.24 H new ATOM 0 HG21 ILE A 43 3.253 -3.150 10.201 1.00 64.12 H new ATOM 0 HG22 ILE A 43 3.355 -1.820 9.023 1.00 64.12 H new ATOM 0 HG23 ILE A 43 1.862 -2.068 9.958 1.00 64.12 H new ATOM 0 HD11 ILE A 43 0.500 -6.639 8.654 1.00 32.22 H new ATOM 0 HD12 ILE A 43 0.539 -5.592 7.215 1.00 32.22 H new ATOM 0 HD13 ILE A 43 2.042 -6.330 7.820 1.00 32.22 H new ATOM 655 N TYR A 44 1.839 -0.301 7.035 1.00 61.40 N ATOM 656 CA TYR A 44 2.614 0.884 6.633 1.00 0.24 C ATOM 657 C TYR A 44 3.999 0.889 7.321 1.00 40.13 C ATOM 658 O TYR A 44 4.086 0.992 8.552 1.00 33.35 O ATOM 659 CB TYR A 44 1.829 2.180 6.951 1.00 75.50 C ATOM 660 CG TYR A 44 2.551 3.469 6.524 1.00 45.54 C ATOM 661 CD1 TYR A 44 2.636 3.833 5.177 1.00 33.14 C ATOM 662 CD2 TYR A 44 3.145 4.314 7.464 1.00 31.42 C ATOM 663 CE1 TYR A 44 3.280 4.992 4.792 1.00 21.55 C ATOM 664 CE2 TYR A 44 3.781 5.468 7.084 1.00 74.13 C ATOM 665 CZ TYR A 44 3.848 5.804 5.751 1.00 33.05 C ATOM 666 OH TYR A 44 4.476 6.968 5.384 1.00 42.03 O ATOM 0 H TYR A 44 1.004 -0.083 7.578 1.00 61.40 H new ATOM 0 HA TYR A 44 2.775 0.843 5.556 1.00 0.24 H new ATOM 0 HB2 TYR A 44 0.860 2.137 6.454 1.00 75.50 H new ATOM 0 HB3 TYR A 44 1.636 2.222 8.023 1.00 75.50 H new ATOM 0 HD1 TYR A 44 2.191 3.198 4.426 1.00 33.14 H new ATOM 0 HD2 TYR A 44 3.103 4.053 8.511 1.00 31.42 H new ATOM 0 HE1 TYR A 44 3.338 5.261 3.748 1.00 21.55 H new ATOM 0 HE2 TYR A 44 4.228 6.111 7.828 1.00 74.13 H new ATOM 0 HH TYR A 44 4.059 7.323 4.571 1.00 42.03 H new ATOM 676 N LYS A 45 5.063 0.743 6.512 1.00 20.10 N ATOM 677 CA LYS A 45 6.459 0.709 6.993 1.00 74.44 C ATOM 678 C LYS A 45 7.091 2.105 6.944 1.00 31.33 C ATOM 679 O LYS A 45 7.806 2.487 7.874 1.00 10.43 O ATOM 680 CB LYS A 45 7.282 -0.302 6.148 1.00 53.13 C ATOM 681 CG LYS A 45 6.805 -1.781 6.254 1.00 72.14 C ATOM 682 CD LYS A 45 7.490 -2.594 7.387 1.00 62.04 C ATOM 683 CE LYS A 45 7.117 -2.147 8.808 1.00 4.50 C ATOM 684 NZ LYS A 45 7.860 -2.898 9.838 1.00 14.51 N ATOM 0 H LYS A 45 4.980 0.645 5.500 1.00 20.10 H new ATOM 0 HA LYS A 45 6.463 0.383 8.033 1.00 74.44 H new ATOM 0 HB2 LYS A 45 7.244 0.004 5.102 1.00 53.13 H new ATOM 0 HB3 LYS A 45 8.326 -0.248 6.458 1.00 53.13 H new ATOM 0 HG2 LYS A 45 5.727 -1.792 6.415 1.00 72.14 H new ATOM 0 HG3 LYS A 45 6.990 -2.279 5.302 1.00 72.14 H new ATOM 0 HD2 LYS A 45 7.229 -3.646 7.271 1.00 62.04 H new ATOM 0 HD3 LYS A 45 8.571 -2.519 7.268 1.00 62.04 H new ATOM 0 HE2 LYS A 45 7.321 -1.082 8.918 1.00 4.50 H new ATOM 0 HE3 LYS A 45 6.047 -2.284 8.962 1.00 4.50 H new ATOM 0 HZ1 LYS A 45 7.578 -2.565 10.782 1.00 14.51 H new ATOM 0 HZ2 LYS A 45 7.646 -3.912 9.751 1.00 14.51 H new ATOM 0 HZ3 LYS A 45 8.881 -2.748 9.709 1.00 14.51 H new ATOM 698 N GLY A 46 6.819 2.851 5.860 1.00 2.34 N ATOM 699 CA GLY A 46 7.334 4.214 5.715 1.00 54.23 C ATOM 700 C GLY A 46 7.023 4.834 4.366 1.00 60.33 C ATOM 701 O GLY A 46 6.323 4.238 3.543 1.00 21.03 O ATOM 0 H GLY A 46 6.248 2.531 5.078 1.00 2.34 H new ATOM 0 HA2 GLY A 46 6.911 4.840 6.501 1.00 54.23 H new ATOM 0 HA3 GLY A 46 8.414 4.204 5.862 1.00 54.23 H new ATOM 705 N PHE A 47 7.543 6.052 4.174 1.00 3.43 N ATOM 706 CA PHE A 47 7.443 6.816 2.925 1.00 43.24 C ATOM 707 C PHE A 47 8.621 7.793 2.873 1.00 24.13 C ATOM 708 O PHE A 47 8.754 8.656 3.749 1.00 23.34 O ATOM 709 CB PHE A 47 6.095 7.588 2.818 1.00 41.13 C ATOM 710 CG PHE A 47 5.977 8.483 1.577 1.00 41.02 C ATOM 711 CD1 PHE A 47 5.870 7.919 0.311 1.00 20.42 C ATOM 712 CD2 PHE A 47 6.016 9.881 1.672 1.00 4.24 C ATOM 713 CE1 PHE A 47 5.784 8.706 -0.817 1.00 35.34 C ATOM 714 CE2 PHE A 47 5.940 10.667 0.540 1.00 15.23 C ATOM 715 CZ PHE A 47 5.829 10.075 -0.708 1.00 70.01 C ATOM 0 H PHE A 47 8.058 6.546 4.902 1.00 3.43 H new ATOM 0 HA PHE A 47 7.475 6.125 2.082 1.00 43.24 H new ATOM 0 HB2 PHE A 47 5.277 6.868 2.811 1.00 41.13 H new ATOM 0 HB3 PHE A 47 5.971 8.204 3.709 1.00 41.13 H new ATOM 0 HD1 PHE A 47 5.854 6.844 0.209 1.00 20.42 H new ATOM 0 HD2 PHE A 47 6.107 10.348 2.642 1.00 4.24 H new ATOM 0 HE1 PHE A 47 5.681 8.246 -1.789 1.00 35.34 H new ATOM 0 HE2 PHE A 47 5.967 11.743 0.627 1.00 15.23 H new ATOM 0 HZ PHE A 47 5.778 10.689 -1.595 1.00 70.01 H new ATOM 725 N GLU A 48 9.474 7.636 1.854 1.00 72.42 N ATOM 726 CA GLU A 48 10.646 8.499 1.648 1.00 50.25 C ATOM 727 C GLU A 48 10.926 8.643 0.147 1.00 53.44 C ATOM 728 O GLU A 48 10.728 7.684 -0.614 1.00 63.42 O ATOM 729 CB GLU A 48 11.868 7.922 2.409 1.00 44.24 C ATOM 730 CG GLU A 48 12.222 6.460 2.065 1.00 35.31 C ATOM 731 CD GLU A 48 13.433 5.933 2.857 1.00 32.34 C ATOM 732 OE1 GLU A 48 14.582 6.188 2.435 1.00 75.55 O ATOM 733 OE2 GLU A 48 13.243 5.279 3.909 1.00 73.54 O ATOM 0 H GLU A 48 9.372 6.907 1.148 1.00 72.42 H new ATOM 0 HA GLU A 48 10.447 9.493 2.048 1.00 50.25 H new ATOM 0 HB2 GLU A 48 12.735 8.548 2.200 1.00 44.24 H new ATOM 0 HB3 GLU A 48 11.675 7.991 3.480 1.00 44.24 H new ATOM 0 HG2 GLU A 48 11.359 5.826 2.267 1.00 35.31 H new ATOM 0 HG3 GLU A 48 12.431 6.384 0.998 1.00 35.31 H new ATOM 740 N ASP A 49 11.383 9.859 -0.249 1.00 75.31 N ATOM 741 CA ASP A 49 11.571 10.274 -1.660 1.00 55.02 C ATOM 742 C ASP A 49 10.197 10.355 -2.365 1.00 4.21 C ATOM 743 O ASP A 49 9.581 11.433 -2.439 1.00 75.43 O ATOM 744 CB ASP A 49 12.578 9.338 -2.408 1.00 40.00 C ATOM 745 CG ASP A 49 12.737 9.650 -3.909 1.00 52.21 C ATOM 746 OD1 ASP A 49 13.478 10.596 -4.261 1.00 74.12 O ATOM 747 OD2 ASP A 49 12.126 8.942 -4.741 1.00 22.52 O ATOM 0 H ASP A 49 11.635 10.590 0.416 1.00 75.31 H new ATOM 0 HA ASP A 49 12.019 11.268 -1.681 1.00 55.02 H new ATOM 0 HB2 ASP A 49 13.553 9.415 -1.927 1.00 40.00 H new ATOM 0 HB3 ASP A 49 12.248 8.305 -2.296 1.00 40.00 H new ATOM 752 N GLY A 50 9.711 9.196 -2.825 1.00 63.31 N ATOM 753 CA GLY A 50 8.387 9.045 -3.412 1.00 74.13 C ATOM 754 C GLY A 50 7.928 7.600 -3.343 1.00 1.31 C ATOM 755 O GLY A 50 6.944 7.206 -3.966 1.00 13.51 O ATOM 0 H GLY A 50 10.241 8.325 -2.796 1.00 63.31 H new ATOM 0 HA2 GLY A 50 7.676 9.682 -2.886 1.00 74.13 H new ATOM 0 HA3 GLY A 50 8.405 9.376 -4.450 1.00 74.13 H new ATOM 759 N ILE A 51 8.644 6.799 -2.545 1.00 51.44 N ATOM 760 CA ILE A 51 8.440 5.355 -2.459 1.00 22.24 C ATOM 761 C ILE A 51 7.739 5.013 -1.134 1.00 50.31 C ATOM 762 O ILE A 51 8.282 5.280 -0.047 1.00 22.23 O ATOM 763 CB ILE A 51 9.811 4.586 -2.559 1.00 23.05 C ATOM 764 CG1 ILE A 51 10.631 5.048 -3.813 1.00 45.40 C ATOM 765 CG2 ILE A 51 9.594 3.058 -2.577 1.00 33.11 C ATOM 766 CD1 ILE A 51 9.943 4.860 -5.157 1.00 70.42 C ATOM 0 H ILE A 51 9.387 7.142 -1.937 1.00 51.44 H new ATOM 0 HA ILE A 51 7.814 5.041 -3.294 1.00 22.24 H new ATOM 0 HB ILE A 51 10.391 4.832 -1.670 1.00 23.05 H new ATOM 0 HG12 ILE A 51 10.876 6.104 -3.695 1.00 45.40 H new ATOM 0 HG13 ILE A 51 11.574 4.502 -3.829 1.00 45.40 H new ATOM 0 HG21 ILE A 51 10.558 2.554 -2.647 1.00 33.11 H new ATOM 0 HG22 ILE A 51 9.090 2.751 -1.661 1.00 33.11 H new ATOM 0 HG23 ILE A 51 8.981 2.788 -3.437 1.00 33.11 H new ATOM 0 HD11 ILE A 51 10.598 5.212 -5.954 1.00 70.42 H new ATOM 0 HD12 ILE A 51 9.723 3.803 -5.309 1.00 70.42 H new ATOM 0 HD13 ILE A 51 9.014 5.430 -5.173 1.00 70.42 H new ATOM 778 N VAL A 52 6.525 4.454 -1.238 1.00 44.51 N ATOM 779 CA VAL A 52 5.749 4.007 -0.079 1.00 63.40 C ATOM 780 C VAL A 52 6.172 2.573 0.267 1.00 2.53 C ATOM 781 O VAL A 52 5.875 1.644 -0.481 1.00 3.11 O ATOM 782 CB VAL A 52 4.202 4.050 -0.356 1.00 10.32 C ATOM 783 CG1 VAL A 52 3.394 3.778 0.937 1.00 32.11 C ATOM 784 CG2 VAL A 52 3.775 5.388 -1.004 1.00 45.20 C ATOM 0 H VAL A 52 6.055 4.300 -2.130 1.00 44.51 H new ATOM 0 HA VAL A 52 5.949 4.682 0.753 1.00 63.40 H new ATOM 0 HB VAL A 52 3.978 3.255 -1.067 1.00 10.32 H new ATOM 0 HG11 VAL A 52 2.328 3.814 0.714 1.00 32.11 H new ATOM 0 HG12 VAL A 52 3.650 2.792 1.326 1.00 32.11 H new ATOM 0 HG13 VAL A 52 3.635 4.536 1.683 1.00 32.11 H new ATOM 0 HG21 VAL A 52 2.699 5.380 -1.180 1.00 45.20 H new ATOM 0 HG22 VAL A 52 4.027 6.212 -0.337 1.00 45.20 H new ATOM 0 HG23 VAL A 52 4.297 5.516 -1.952 1.00 45.20 H new ATOM 794 N GLN A 53 6.873 2.403 1.385 1.00 4.11 N ATOM 795 CA GLN A 53 7.350 1.090 1.832 1.00 35.02 C ATOM 796 C GLN A 53 6.234 0.418 2.626 1.00 41.55 C ATOM 797 O GLN A 53 5.740 0.995 3.607 1.00 74.20 O ATOM 798 CB GLN A 53 8.619 1.248 2.693 1.00 44.41 C ATOM 799 CG GLN A 53 9.817 1.833 1.926 1.00 41.04 C ATOM 800 CD GLN A 53 11.044 2.081 2.799 1.00 72.30 C ATOM 801 OE1 GLN A 53 11.276 1.386 3.789 1.00 63.13 O ATOM 802 NE2 GLN A 53 11.841 3.064 2.428 1.00 43.45 N ATOM 0 H GLN A 53 7.128 3.169 2.009 1.00 4.11 H new ATOM 0 HA GLN A 53 7.609 0.472 0.973 1.00 35.02 H new ATOM 0 HB2 GLN A 53 8.393 1.892 3.543 1.00 44.41 H new ATOM 0 HB3 GLN A 53 8.897 0.274 3.096 1.00 44.41 H new ATOM 0 HG2 GLN A 53 10.088 1.152 1.119 1.00 41.04 H new ATOM 0 HG3 GLN A 53 9.516 2.773 1.462 1.00 41.04 H new ATOM 0 HE21 GLN A 53 11.616 3.619 1.602 1.00 43.45 H new ATOM 0 HE22 GLN A 53 12.682 3.270 2.967 1.00 43.45 H new ATOM 811 N LEU A 54 5.814 -0.774 2.179 1.00 52.05 N ATOM 812 CA LEU A 54 4.700 -1.515 2.786 1.00 50.13 C ATOM 813 C LEU A 54 5.095 -2.966 3.034 1.00 73.02 C ATOM 814 O LEU A 54 5.763 -3.590 2.203 1.00 45.01 O ATOM 815 CB LEU A 54 3.452 -1.463 1.872 1.00 72.55 C ATOM 816 CG LEU A 54 2.856 -0.046 1.611 1.00 34.52 C ATOM 817 CD1 LEU A 54 1.665 -0.107 0.658 1.00 45.43 C ATOM 818 CD2 LEU A 54 2.477 0.652 2.931 1.00 44.23 C ATOM 0 H LEU A 54 6.239 -1.252 1.384 1.00 52.05 H new ATOM 0 HA LEU A 54 4.461 -1.045 3.740 1.00 50.13 H new ATOM 0 HB2 LEU A 54 3.710 -1.910 0.912 1.00 72.55 H new ATOM 0 HB3 LEU A 54 2.675 -2.086 2.315 1.00 72.55 H new ATOM 0 HG LEU A 54 3.631 0.550 1.130 1.00 34.52 H new ATOM 0 HD11 LEU A 54 1.275 0.898 0.499 1.00 45.43 H new ATOM 0 HD12 LEU A 54 1.983 -0.528 -0.296 1.00 45.43 H new ATOM 0 HD13 LEU A 54 0.885 -0.735 1.090 1.00 45.43 H new ATOM 0 HD21 LEU A 54 2.064 1.638 2.716 1.00 44.23 H new ATOM 0 HD22 LEU A 54 1.733 0.054 3.458 1.00 44.23 H new ATOM 0 HD23 LEU A 54 3.365 0.758 3.554 1.00 44.23 H new ATOM 830 N LYS A 55 4.661 -3.478 4.181 1.00 11.15 N ATOM 831 CA LYS A 55 4.835 -4.870 4.558 1.00 32.42 C ATOM 832 C LYS A 55 3.667 -5.682 4.016 1.00 53.32 C ATOM 833 O LYS A 55 2.510 -5.388 4.328 1.00 12.32 O ATOM 834 CB LYS A 55 4.898 -5.035 6.095 1.00 30.31 C ATOM 835 CG LYS A 55 5.058 -6.496 6.564 1.00 43.34 C ATOM 836 CD LYS A 55 4.786 -6.675 8.066 1.00 70.42 C ATOM 837 CE LYS A 55 4.797 -8.150 8.483 1.00 11.11 C ATOM 838 NZ LYS A 55 4.359 -8.333 9.887 1.00 60.51 N ATOM 0 H LYS A 55 4.171 -2.925 4.884 1.00 11.15 H new ATOM 0 HA LYS A 55 5.776 -5.224 4.138 1.00 32.42 H new ATOM 0 HB2 LYS A 55 5.732 -4.448 6.479 1.00 30.31 H new ATOM 0 HB3 LYS A 55 3.989 -4.622 6.532 1.00 30.31 H new ATOM 0 HG2 LYS A 55 4.376 -7.131 5.998 1.00 43.34 H new ATOM 0 HG3 LYS A 55 6.069 -6.836 6.340 1.00 43.34 H new ATOM 0 HD2 LYS A 55 5.539 -6.132 8.637 1.00 70.42 H new ATOM 0 HD3 LYS A 55 3.820 -6.236 8.314 1.00 70.42 H new ATOM 0 HE2 LYS A 55 4.143 -8.719 7.822 1.00 11.11 H new ATOM 0 HE3 LYS A 55 5.802 -8.554 8.361 1.00 11.11 H new ATOM 0 HZ1 LYS A 55 4.381 -9.344 10.128 1.00 60.51 H new ATOM 0 HZ2 LYS A 55 4.998 -7.812 10.521 1.00 60.51 H new ATOM 0 HZ3 LYS A 55 3.390 -7.971 9.998 1.00 60.51 H new ATOM 852 N LEU A 56 3.973 -6.688 3.198 1.00 31.33 N ATOM 853 CA LEU A 56 2.980 -7.672 2.767 1.00 60.52 C ATOM 854 C LEU A 56 3.039 -8.866 3.734 1.00 13.25 C ATOM 855 O LEU A 56 4.120 -9.207 4.241 1.00 65.33 O ATOM 856 CB LEU A 56 3.231 -8.117 1.301 1.00 21.42 C ATOM 857 CG LEU A 56 3.314 -6.979 0.226 1.00 52.50 C ATOM 858 CD1 LEU A 56 3.366 -7.555 -1.203 1.00 33.01 C ATOM 859 CD2 LEU A 56 2.164 -5.960 0.371 1.00 51.45 C ATOM 0 H LEU A 56 4.907 -6.844 2.818 1.00 31.33 H new ATOM 0 HA LEU A 56 1.984 -7.229 2.791 1.00 60.52 H new ATOM 0 HB2 LEU A 56 4.163 -8.682 1.271 1.00 21.42 H new ATOM 0 HB3 LEU A 56 2.434 -8.801 1.012 1.00 21.42 H new ATOM 0 HG LEU A 56 4.246 -6.443 0.406 1.00 52.50 H new ATOM 0 HD11 LEU A 56 3.423 -6.738 -1.923 1.00 33.01 H new ATOM 0 HD12 LEU A 56 4.244 -8.192 -1.307 1.00 33.01 H new ATOM 0 HD13 LEU A 56 2.467 -8.142 -1.391 1.00 33.01 H new ATOM 0 HD21 LEU A 56 2.262 -5.190 -0.394 1.00 51.45 H new ATOM 0 HD22 LEU A 56 1.208 -6.471 0.252 1.00 51.45 H new ATOM 0 HD23 LEU A 56 2.209 -5.499 1.358 1.00 51.45 H new ATOM 871 N GLN A 57 1.885 -9.497 3.978 1.00 1.41 N ATOM 872 CA GLN A 57 1.774 -10.637 4.910 1.00 52.30 C ATOM 873 C GLN A 57 1.975 -11.960 4.164 1.00 14.12 C ATOM 874 O GLN A 57 1.856 -12.007 2.929 1.00 61.31 O ATOM 875 CB GLN A 57 0.385 -10.621 5.638 1.00 21.34 C ATOM 876 CG GLN A 57 0.354 -9.897 6.996 1.00 3.15 C ATOM 877 CD GLN A 57 1.188 -10.603 8.066 1.00 12.23 C ATOM 878 OE1 GLN A 57 1.373 -11.822 8.029 1.00 65.24 O ATOM 879 NE2 GLN A 57 1.661 -9.857 9.043 1.00 3.12 N ATOM 0 H GLN A 57 1.002 -9.237 3.539 1.00 1.41 H new ATOM 0 HA GLN A 57 2.556 -10.543 5.663 1.00 52.30 H new ATOM 0 HB2 GLN A 57 -0.345 -10.151 4.979 1.00 21.34 H new ATOM 0 HB3 GLN A 57 0.062 -11.651 5.788 1.00 21.34 H new ATOM 0 HG2 GLN A 57 0.723 -8.879 6.868 1.00 3.15 H new ATOM 0 HG3 GLN A 57 -0.678 -9.821 7.338 1.00 3.15 H new ATOM 0 HE21 GLN A 57 1.491 -8.851 9.045 1.00 3.12 H new ATOM 0 HE22 GLN A 57 2.197 -10.285 9.798 1.00 3.12 H new ATOM 888 N GLY A 58 2.272 -13.023 4.945 1.00 53.21 N ATOM 889 CA GLY A 58 2.551 -14.359 4.415 1.00 21.35 C ATOM 890 C GLY A 58 1.302 -15.077 3.915 1.00 52.43 C ATOM 891 O GLY A 58 0.869 -16.083 4.491 1.00 63.35 O ATOM 0 H GLY A 58 2.323 -12.969 5.962 1.00 53.21 H new ATOM 0 HA2 GLY A 58 3.267 -14.277 3.598 1.00 21.35 H new ATOM 0 HA3 GLY A 58 3.022 -14.961 5.192 1.00 21.35 H new ATOM 895 N SER A 59 0.735 -14.539 2.831 1.00 32.24 N ATOM 896 CA SER A 59 -0.503 -14.999 2.208 1.00 31.04 C ATOM 897 C SER A 59 -0.463 -14.531 0.751 1.00 31.00 C ATOM 898 O SER A 59 -0.482 -15.344 -0.177 1.00 73.22 O ATOM 899 CB SER A 59 -1.745 -14.422 2.942 1.00 10.45 C ATOM 900 OG SER A 59 -1.758 -14.759 4.320 1.00 11.21 O ATOM 0 H SER A 59 1.144 -13.740 2.347 1.00 32.24 H new ATOM 0 HA SER A 59 -0.585 -16.084 2.266 1.00 31.04 H new ATOM 0 HB2 SER A 59 -1.757 -13.337 2.835 1.00 10.45 H new ATOM 0 HB3 SER A 59 -2.652 -14.799 2.469 1.00 10.45 H new ATOM 0 HG SER A 59 -2.554 -14.375 4.743 1.00 11.21 H new ATOM 906 N CYS A 60 -0.358 -13.199 0.570 1.00 63.12 N ATOM 907 CA CYS A 60 -0.170 -12.571 -0.753 1.00 13.21 C ATOM 908 C CYS A 60 1.234 -12.874 -1.301 1.00 41.54 C ATOM 909 O CYS A 60 1.407 -13.095 -2.502 1.00 72.21 O ATOM 910 CB CYS A 60 -0.374 -11.044 -0.658 1.00 63.44 C ATOM 911 SG CYS A 60 -0.016 -10.158 -2.193 1.00 53.41 S ATOM 0 H CYS A 60 -0.401 -12.528 1.337 1.00 63.12 H new ATOM 0 HA CYS A 60 -0.912 -12.987 -1.435 1.00 13.21 H new ATOM 0 HB2 CYS A 60 -1.405 -10.843 -0.366 1.00 63.44 H new ATOM 0 HB3 CYS A 60 0.264 -10.651 0.134 1.00 63.44 H new ATOM 0 HG CYS A 60 -1.124 -9.711 -2.704 1.00 53.41 H new ATOM 917 N THR A 61 2.226 -12.907 -0.387 1.00 31.22 N ATOM 918 CA THR A 61 3.633 -13.199 -0.714 1.00 34.35 C ATOM 919 C THR A 61 3.814 -14.628 -1.270 1.00 4.30 C ATOM 920 O THR A 61 4.734 -14.875 -2.049 1.00 54.13 O ATOM 921 CB THR A 61 4.539 -13.009 0.544 1.00 1.21 C ATOM 922 OG1 THR A 61 3.996 -13.765 1.632 1.00 62.31 O ATOM 923 CG2 THR A 61 4.653 -11.535 0.959 1.00 55.14 C ATOM 0 H THR A 61 2.070 -12.730 0.605 1.00 31.22 H new ATOM 0 HA THR A 61 3.932 -12.495 -1.490 1.00 34.35 H new ATOM 0 HB THR A 61 5.539 -13.360 0.290 1.00 1.21 H new ATOM 0 HG1 THR A 61 3.270 -13.258 2.052 1.00 62.31 H new ATOM 0 HG21 THR A 61 5.293 -11.453 1.838 1.00 55.14 H new ATOM 0 HG22 THR A 61 5.085 -10.959 0.141 1.00 55.14 H new ATOM 0 HG23 THR A 61 3.662 -11.145 1.193 1.00 55.14 H new ATOM 931 N SER A 62 2.904 -15.545 -0.873 1.00 43.30 N ATOM 932 CA SER A 62 2.925 -16.965 -1.287 1.00 23.30 C ATOM 933 C SER A 62 2.776 -17.139 -2.821 1.00 2.41 C ATOM 934 O SER A 62 3.169 -18.177 -3.375 1.00 14.32 O ATOM 935 CB SER A 62 1.807 -17.722 -0.546 1.00 61.13 C ATOM 936 OG SER A 62 1.906 -17.502 0.852 1.00 25.33 O ATOM 0 H SER A 62 2.128 -15.318 -0.251 1.00 43.30 H new ATOM 0 HA SER A 62 3.898 -17.379 -1.022 1.00 23.30 H new ATOM 0 HB2 SER A 62 0.833 -17.389 -0.905 1.00 61.13 H new ATOM 0 HB3 SER A 62 1.878 -18.789 -0.759 1.00 61.13 H new ATOM 0 HG SER A 62 1.189 -17.987 1.311 1.00 25.33 H new ATOM 942 N CYS A 63 2.201 -16.120 -3.490 1.00 34.22 N ATOM 943 CA CYS A 63 2.074 -16.066 -4.954 1.00 43.12 C ATOM 944 C CYS A 63 2.720 -14.758 -5.474 1.00 42.31 C ATOM 945 O CYS A 63 2.216 -13.673 -5.170 1.00 35.44 O ATOM 946 CB CYS A 63 0.587 -16.157 -5.357 1.00 65.52 C ATOM 947 SG CYS A 63 -0.210 -17.683 -4.811 1.00 33.42 S ATOM 0 H CYS A 63 1.808 -15.304 -3.021 1.00 34.22 H new ATOM 0 HA CYS A 63 2.594 -16.912 -5.404 1.00 43.12 H new ATOM 0 HB2 CYS A 63 0.051 -15.305 -4.937 1.00 65.52 H new ATOM 0 HB3 CYS A 63 0.506 -16.081 -6.441 1.00 65.52 H new ATOM 0 HG CYS A 63 -1.455 -17.681 -5.186 1.00 33.42 H new ATOM 953 N PRO A 64 3.865 -14.839 -6.241 1.00 33.21 N ATOM 954 CA PRO A 64 4.587 -13.637 -6.758 1.00 74.11 C ATOM 955 C PRO A 64 3.707 -12.736 -7.659 1.00 35.42 C ATOM 956 O PRO A 64 3.916 -11.520 -7.724 1.00 23.51 O ATOM 957 CB PRO A 64 5.802 -14.229 -7.536 1.00 33.13 C ATOM 958 CG PRO A 64 5.430 -15.660 -7.810 1.00 12.24 C ATOM 959 CD PRO A 64 4.578 -16.094 -6.632 1.00 73.21 C ATOM 0 HA PRO A 64 4.887 -12.973 -5.948 1.00 74.11 H new ATOM 0 HB2 PRO A 64 5.981 -13.684 -8.463 1.00 33.13 H new ATOM 0 HB3 PRO A 64 6.717 -14.165 -6.947 1.00 33.13 H new ATOM 0 HG2 PRO A 64 4.879 -15.749 -8.746 1.00 12.24 H new ATOM 0 HG3 PRO A 64 6.318 -16.285 -7.902 1.00 12.24 H new ATOM 0 HD2 PRO A 64 3.880 -16.883 -6.910 1.00 73.21 H new ATOM 0 HD3 PRO A 64 5.188 -16.481 -5.816 1.00 73.21 H new ATOM 967 N SER A 65 2.713 -13.340 -8.330 1.00 55.13 N ATOM 968 CA SER A 65 1.769 -12.606 -9.189 1.00 72.53 C ATOM 969 C SER A 65 0.771 -11.790 -8.328 1.00 2.52 C ATOM 970 O SER A 65 0.343 -10.707 -8.739 1.00 41.35 O ATOM 971 CB SER A 65 1.033 -13.587 -10.132 1.00 20.32 C ATOM 972 OG SER A 65 0.204 -12.907 -11.061 1.00 72.11 O ATOM 0 H SER A 65 2.541 -14.345 -8.293 1.00 55.13 H new ATOM 0 HA SER A 65 2.326 -11.900 -9.805 1.00 72.53 H new ATOM 0 HB2 SER A 65 1.764 -14.190 -10.671 1.00 20.32 H new ATOM 0 HB3 SER A 65 0.428 -14.274 -9.540 1.00 20.32 H new ATOM 0 HG SER A 65 -0.243 -13.560 -11.640 1.00 72.11 H new ATOM 978 N SER A 66 0.419 -12.310 -7.124 1.00 74.13 N ATOM 979 CA SER A 66 -0.426 -11.574 -6.155 1.00 14.12 C ATOM 980 C SER A 66 0.313 -10.336 -5.630 1.00 34.41 C ATOM 981 O SER A 66 -0.299 -9.292 -5.419 1.00 62.55 O ATOM 982 CB SER A 66 -0.841 -12.482 -4.973 1.00 2.34 C ATOM 983 OG SER A 66 -1.609 -13.585 -5.421 1.00 3.43 O ATOM 0 H SER A 66 0.708 -13.234 -6.804 1.00 74.13 H new ATOM 0 HA SER A 66 -1.329 -11.255 -6.676 1.00 14.12 H new ATOM 0 HB2 SER A 66 0.049 -12.841 -4.456 1.00 2.34 H new ATOM 0 HB3 SER A 66 -1.417 -11.903 -4.251 1.00 2.34 H new ATOM 0 HG SER A 66 -1.857 -14.144 -4.655 1.00 3.43 H new ATOM 989 N ILE A 67 1.646 -10.476 -5.443 1.00 34.01 N ATOM 990 CA ILE A 67 2.533 -9.377 -5.005 1.00 4.45 C ATOM 991 C ILE A 67 2.486 -8.213 -6.009 1.00 23.11 C ATOM 992 O ILE A 67 2.282 -7.062 -5.617 1.00 64.15 O ATOM 993 CB ILE A 67 4.021 -9.875 -4.846 1.00 2.30 C ATOM 994 CG1 ILE A 67 4.121 -11.014 -3.778 1.00 20.41 C ATOM 995 CG2 ILE A 67 4.980 -8.704 -4.510 1.00 13.24 C ATOM 996 CD1 ILE A 67 5.517 -11.611 -3.600 1.00 44.23 C ATOM 0 H ILE A 67 2.136 -11.358 -5.593 1.00 34.01 H new ATOM 0 HA ILE A 67 2.175 -9.032 -4.035 1.00 4.45 H new ATOM 0 HB ILE A 67 4.335 -10.287 -5.805 1.00 2.30 H new ATOM 0 HG12 ILE A 67 3.785 -10.622 -2.818 1.00 20.41 H new ATOM 0 HG13 ILE A 67 3.433 -11.813 -4.055 1.00 20.41 H new ATOM 0 HG21 ILE A 67 5.996 -9.084 -4.408 1.00 13.24 H new ATOM 0 HG22 ILE A 67 4.948 -7.966 -5.311 1.00 13.24 H new ATOM 0 HG23 ILE A 67 4.671 -8.238 -3.574 1.00 13.24 H new ATOM 0 HD11 ILE A 67 5.485 -12.391 -2.840 1.00 44.23 H new ATOM 0 HD12 ILE A 67 5.853 -12.038 -4.545 1.00 44.23 H new ATOM 0 HD13 ILE A 67 6.210 -10.829 -3.289 1.00 44.23 H new ATOM 1008 N ILE A 68 2.672 -8.541 -7.303 1.00 25.14 N ATOM 1009 CA ILE A 68 2.693 -7.549 -8.396 1.00 2.12 C ATOM 1010 C ILE A 68 1.350 -6.797 -8.477 1.00 21.24 C ATOM 1011 O ILE A 68 1.329 -5.563 -8.464 1.00 13.23 O ATOM 1012 CB ILE A 68 3.021 -8.234 -9.781 1.00 60.53 C ATOM 1013 CG1 ILE A 68 4.423 -8.932 -9.734 1.00 32.13 C ATOM 1014 CG2 ILE A 68 2.950 -7.225 -10.958 1.00 10.15 C ATOM 1015 CD1 ILE A 68 4.844 -9.640 -11.022 1.00 55.42 C ATOM 0 H ILE A 68 2.812 -9.501 -7.620 1.00 25.14 H new ATOM 0 HA ILE A 68 3.482 -6.830 -8.176 1.00 2.12 H new ATOM 0 HB ILE A 68 2.259 -8.993 -9.957 1.00 60.53 H new ATOM 0 HG12 ILE A 68 5.175 -8.183 -9.488 1.00 32.13 H new ATOM 0 HG13 ILE A 68 4.421 -9.660 -8.923 1.00 32.13 H new ATOM 0 HG21 ILE A 68 3.182 -7.738 -11.891 1.00 10.15 H new ATOM 0 HG22 ILE A 68 1.947 -6.803 -11.016 1.00 10.15 H new ATOM 0 HG23 ILE A 68 3.671 -6.424 -10.795 1.00 10.15 H new ATOM 0 HD11 ILE A 68 5.827 -10.090 -10.885 1.00 55.42 H new ATOM 0 HD12 ILE A 68 4.120 -10.418 -11.263 1.00 55.42 H new ATOM 0 HD13 ILE A 68 4.886 -8.918 -11.837 1.00 55.42 H new ATOM 1027 N THR A 69 0.246 -7.564 -8.513 1.00 4.44 N ATOM 1028 CA THR A 69 -1.123 -7.020 -8.629 1.00 21.05 C ATOM 1029 C THR A 69 -1.469 -6.101 -7.445 1.00 4.34 C ATOM 1030 O THR A 69 -2.018 -5.005 -7.640 1.00 24.22 O ATOM 1031 CB THR A 69 -2.173 -8.173 -8.702 1.00 0.53 C ATOM 1032 OG1 THR A 69 -1.813 -9.090 -9.747 1.00 40.51 O ATOM 1033 CG2 THR A 69 -3.609 -7.656 -8.954 1.00 3.43 C ATOM 0 H THR A 69 0.276 -8.582 -8.462 1.00 4.44 H new ATOM 0 HA THR A 69 -1.156 -6.436 -9.549 1.00 21.05 H new ATOM 0 HB THR A 69 -2.167 -8.672 -7.733 1.00 0.53 H new ATOM 0 HG1 THR A 69 -1.077 -9.661 -9.442 1.00 40.51 H new ATOM 0 HG21 THR A 69 -4.298 -8.500 -8.996 1.00 3.43 H new ATOM 0 HG22 THR A 69 -3.902 -6.988 -8.144 1.00 3.43 H new ATOM 0 HG23 THR A 69 -3.640 -7.115 -9.900 1.00 3.43 H new ATOM 1041 N LEU A 70 -1.136 -6.564 -6.225 1.00 31.51 N ATOM 1042 CA LEU A 70 -1.432 -5.836 -4.982 1.00 63.22 C ATOM 1043 C LEU A 70 -0.669 -4.510 -4.951 1.00 44.41 C ATOM 1044 O LEU A 70 -1.274 -3.452 -4.807 1.00 14.40 O ATOM 1045 CB LEU A 70 -1.084 -6.703 -3.739 1.00 2.22 C ATOM 1046 CG LEU A 70 -1.401 -6.079 -2.336 1.00 42.21 C ATOM 1047 CD1 LEU A 70 -2.872 -5.627 -2.237 1.00 3.04 C ATOM 1048 CD2 LEU A 70 -1.048 -7.057 -1.194 1.00 53.33 C ATOM 0 H LEU A 70 -0.655 -7.451 -6.076 1.00 31.51 H new ATOM 0 HA LEU A 70 -2.500 -5.621 -4.952 1.00 63.22 H new ATOM 0 HB2 LEU A 70 -1.622 -7.647 -3.821 1.00 2.22 H new ATOM 0 HB3 LEU A 70 -0.020 -6.938 -3.775 1.00 2.22 H new ATOM 0 HG LEU A 70 -0.774 -5.194 -2.227 1.00 42.21 H new ATOM 0 HD11 LEU A 70 -3.056 -5.200 -1.251 1.00 3.04 H new ATOM 0 HD12 LEU A 70 -3.074 -4.877 -3.001 1.00 3.04 H new ATOM 0 HD13 LEU A 70 -3.527 -6.485 -2.388 1.00 3.04 H new ATOM 0 HD21 LEU A 70 -1.279 -6.595 -0.234 1.00 53.33 H new ATOM 0 HD22 LEU A 70 -1.630 -7.972 -1.306 1.00 53.33 H new ATOM 0 HD23 LEU A 70 0.015 -7.296 -1.235 1.00 53.33 H new ATOM 1060 N LYS A 71 0.659 -4.592 -5.146 1.00 55.01 N ATOM 1061 CA LYS A 71 1.568 -3.431 -5.139 1.00 2.53 C ATOM 1062 C LYS A 71 1.135 -2.379 -6.181 1.00 72.00 C ATOM 1063 O LYS A 71 1.150 -1.189 -5.890 1.00 14.12 O ATOM 1064 CB LYS A 71 3.030 -3.932 -5.378 1.00 34.11 C ATOM 1065 CG LYS A 71 4.160 -2.856 -5.367 1.00 52.30 C ATOM 1066 CD LYS A 71 4.398 -2.163 -6.741 1.00 43.32 C ATOM 1067 CE LYS A 71 4.856 -3.146 -7.834 1.00 2.21 C ATOM 1068 NZ LYS A 71 5.040 -2.481 -9.144 1.00 3.44 N ATOM 0 H LYS A 71 1.137 -5.477 -5.315 1.00 55.01 H new ATOM 0 HA LYS A 71 1.524 -2.935 -4.169 1.00 2.53 H new ATOM 0 HB2 LYS A 71 3.262 -4.675 -4.615 1.00 34.11 H new ATOM 0 HB3 LYS A 71 3.059 -4.444 -6.340 1.00 34.11 H new ATOM 0 HG2 LYS A 71 3.913 -2.095 -4.627 1.00 52.30 H new ATOM 0 HG3 LYS A 71 5.089 -3.325 -5.044 1.00 52.30 H new ATOM 0 HD2 LYS A 71 3.477 -1.675 -7.061 1.00 43.32 H new ATOM 0 HD3 LYS A 71 5.149 -1.382 -6.623 1.00 43.32 H new ATOM 0 HE2 LYS A 71 5.793 -3.613 -7.531 1.00 2.21 H new ATOM 0 HE3 LYS A 71 4.120 -3.944 -7.934 1.00 2.21 H new ATOM 0 HZ1 LYS A 71 5.719 -3.023 -9.716 1.00 3.44 H new ATOM 0 HZ2 LYS A 71 4.128 -2.435 -9.641 1.00 3.44 H new ATOM 0 HZ3 LYS A 71 5.403 -1.518 -8.996 1.00 3.44 H new ATOM 1082 N ASN A 72 0.738 -2.843 -7.382 1.00 51.51 N ATOM 1083 CA ASN A 72 0.278 -1.962 -8.485 1.00 20.32 C ATOM 1084 C ASN A 72 -1.036 -1.257 -8.132 1.00 64.23 C ATOM 1085 O ASN A 72 -1.176 -0.059 -8.380 1.00 64.11 O ATOM 1086 CB ASN A 72 0.114 -2.755 -9.808 1.00 55.32 C ATOM 1087 CG ASN A 72 1.433 -3.148 -10.468 1.00 64.32 C ATOM 1088 OD1 ASN A 72 2.450 -2.470 -10.316 1.00 41.32 O ATOM 1089 ND2 ASN A 72 1.417 -4.237 -11.219 1.00 24.32 N ATOM 0 H ASN A 72 0.725 -3.835 -7.619 1.00 51.51 H new ATOM 0 HA ASN A 72 1.047 -1.203 -8.627 1.00 20.32 H new ATOM 0 HB2 ASN A 72 -0.463 -3.658 -9.608 1.00 55.32 H new ATOM 0 HB3 ASN A 72 -0.466 -2.155 -10.509 1.00 55.32 H new ATOM 0 HD21 ASN A 72 2.266 -4.540 -11.696 1.00 24.32 H new ATOM 0 HD22 ASN A 72 0.555 -4.773 -11.321 1.00 24.32 H new ATOM 1096 N GLY A 73 -1.981 -2.008 -7.537 1.00 31.52 N ATOM 1097 CA GLY A 73 -3.285 -1.466 -7.141 1.00 31.01 C ATOM 1098 C GLY A 73 -3.153 -0.365 -6.092 1.00 42.24 C ATOM 1099 O GLY A 73 -3.778 0.701 -6.200 1.00 12.20 O ATOM 0 H GLY A 73 -1.860 -2.997 -7.321 1.00 31.52 H new ATOM 0 HA2 GLY A 73 -3.795 -1.070 -8.019 1.00 31.01 H new ATOM 0 HA3 GLY A 73 -3.907 -2.270 -6.747 1.00 31.01 H new ATOM 1103 N ILE A 74 -2.293 -0.632 -5.090 1.00 4.11 N ATOM 1104 CA ILE A 74 -1.982 0.314 -4.010 1.00 51.25 C ATOM 1105 C ILE A 74 -1.293 1.559 -4.587 1.00 30.21 C ATOM 1106 O ILE A 74 -1.670 2.684 -4.269 1.00 72.50 O ATOM 1107 CB ILE A 74 -1.030 -0.317 -2.922 1.00 12.52 C ATOM 1108 CG1 ILE A 74 -1.630 -1.620 -2.311 1.00 13.21 C ATOM 1109 CG2 ILE A 74 -0.720 0.712 -1.811 1.00 54.30 C ATOM 1110 CD1 ILE A 74 -0.699 -2.373 -1.363 1.00 73.31 C ATOM 0 H ILE A 74 -1.793 -1.517 -5.010 1.00 4.11 H new ATOM 0 HA ILE A 74 -2.928 0.576 -3.536 1.00 51.25 H new ATOM 0 HB ILE A 74 -0.099 -0.589 -3.419 1.00 12.52 H new ATOM 0 HG12 ILE A 74 -2.543 -1.365 -1.774 1.00 13.21 H new ATOM 0 HG13 ILE A 74 -1.915 -2.288 -3.124 1.00 13.21 H new ATOM 0 HG21 ILE A 74 -0.062 0.259 -1.069 1.00 54.30 H new ATOM 0 HG22 ILE A 74 -0.230 1.582 -2.248 1.00 54.30 H new ATOM 0 HG23 ILE A 74 -1.649 1.021 -1.332 1.00 54.30 H new ATOM 0 HD11 ILE A 74 -1.203 -3.264 -0.989 1.00 73.31 H new ATOM 0 HD12 ILE A 74 0.205 -2.665 -1.897 1.00 73.31 H new ATOM 0 HD13 ILE A 74 -0.433 -1.728 -0.525 1.00 73.31 H new ATOM 1122 N GLN A 75 -0.288 1.312 -5.445 1.00 61.11 N ATOM 1123 CA GLN A 75 0.555 2.357 -6.045 1.00 41.31 C ATOM 1124 C GLN A 75 -0.291 3.359 -6.829 1.00 72.03 C ATOM 1125 O GLN A 75 -0.198 4.560 -6.606 1.00 45.34 O ATOM 1126 CB GLN A 75 1.608 1.716 -6.981 1.00 11.15 C ATOM 1127 CG GLN A 75 2.588 2.712 -7.621 1.00 41.05 C ATOM 1128 CD GLN A 75 3.466 2.091 -8.700 1.00 55.13 C ATOM 1129 OE1 GLN A 75 3.110 2.084 -9.878 1.00 64.23 O ATOM 1130 NE2 GLN A 75 4.601 1.545 -8.307 1.00 61.32 N ATOM 0 H GLN A 75 -0.037 0.370 -5.744 1.00 61.11 H new ATOM 0 HA GLN A 75 1.062 2.889 -5.240 1.00 41.31 H new ATOM 0 HB2 GLN A 75 2.178 0.980 -6.414 1.00 11.15 H new ATOM 0 HB3 GLN A 75 1.090 1.177 -7.774 1.00 11.15 H new ATOM 0 HG2 GLN A 75 2.024 3.538 -8.054 1.00 41.05 H new ATOM 0 HG3 GLN A 75 3.225 3.134 -6.843 1.00 41.05 H new ATOM 0 HE21 GLN A 75 4.864 1.569 -7.322 1.00 61.32 H new ATOM 0 HE22 GLN A 75 5.215 1.099 -8.988 1.00 61.32 H new ATOM 1139 N ASN A 76 -1.130 2.824 -7.727 1.00 3.41 N ATOM 1140 CA ASN A 76 -1.978 3.621 -8.627 1.00 24.00 C ATOM 1141 C ASN A 76 -3.047 4.400 -7.844 1.00 12.35 C ATOM 1142 O ASN A 76 -3.389 5.526 -8.226 1.00 44.15 O ATOM 1143 CB ASN A 76 -2.636 2.709 -9.704 1.00 23.01 C ATOM 1144 CG ASN A 76 -1.664 2.163 -10.770 1.00 12.12 C ATOM 1145 OD1 ASN A 76 -2.050 1.974 -11.923 1.00 13.11 O ATOM 1146 ND2 ASN A 76 -0.416 1.874 -10.412 1.00 22.21 N ATOM 0 H ASN A 76 -1.241 1.818 -7.851 1.00 3.41 H new ATOM 0 HA ASN A 76 -1.343 4.349 -9.131 1.00 24.00 H new ATOM 0 HB2 ASN A 76 -3.115 1.867 -9.204 1.00 23.01 H new ATOM 0 HB3 ASN A 76 -3.424 3.272 -10.205 1.00 23.01 H new ATOM 0 HD21 ASN A 76 0.235 1.490 -11.097 1.00 22.21 H new ATOM 0 HD22 ASN A 76 -0.110 2.036 -9.453 1.00 22.21 H new ATOM 1153 N MET A 77 -3.556 3.797 -6.746 1.00 52.32 N ATOM 1154 CA MET A 77 -4.529 4.455 -5.844 1.00 3.51 C ATOM 1155 C MET A 77 -3.878 5.659 -5.131 1.00 2.12 C ATOM 1156 O MET A 77 -4.402 6.775 -5.171 1.00 72.21 O ATOM 1157 CB MET A 77 -5.056 3.453 -4.784 1.00 50.25 C ATOM 1158 CG MET A 77 -6.177 4.005 -3.879 1.00 14.11 C ATOM 1159 SD MET A 77 -6.383 3.040 -2.368 1.00 5.02 S ATOM 1160 CE MET A 77 -4.821 3.362 -1.548 1.00 14.32 C ATOM 0 H MET A 77 -3.307 2.850 -6.462 1.00 52.32 H new ATOM 0 HA MET A 77 -5.364 4.806 -6.450 1.00 3.51 H new ATOM 0 HB2 MET A 77 -5.425 2.564 -5.296 1.00 50.25 H new ATOM 0 HB3 MET A 77 -4.223 3.137 -4.156 1.00 50.25 H new ATOM 0 HG2 MET A 77 -5.953 5.039 -3.618 1.00 14.11 H new ATOM 0 HG3 MET A 77 -7.116 4.012 -4.433 1.00 14.11 H new ATOM 0 HE1 MET A 77 -4.937 3.217 -0.474 1.00 14.32 H new ATOM 0 HE2 MET A 77 -4.063 2.677 -1.927 1.00 14.32 H new ATOM 0 HE3 MET A 77 -4.512 4.389 -1.744 1.00 14.32 H new ATOM 1170 N LEU A 78 -2.712 5.413 -4.498 1.00 52.15 N ATOM 1171 CA LEU A 78 -1.961 6.433 -3.746 1.00 31.44 C ATOM 1172 C LEU A 78 -1.507 7.573 -4.668 1.00 2.24 C ATOM 1173 O LEU A 78 -1.557 8.721 -4.271 1.00 3.13 O ATOM 1174 CB LEU A 78 -0.738 5.802 -3.023 1.00 13.35 C ATOM 1175 CG LEU A 78 -1.052 4.825 -1.845 1.00 24.01 C ATOM 1176 CD1 LEU A 78 0.234 4.186 -1.294 1.00 33.03 C ATOM 1177 CD2 LEU A 78 -1.839 5.527 -0.714 1.00 14.23 C ATOM 0 H LEU A 78 -2.265 4.496 -4.496 1.00 52.15 H new ATOM 0 HA LEU A 78 -2.630 6.848 -2.992 1.00 31.44 H new ATOM 0 HB2 LEU A 78 -0.144 5.265 -3.763 1.00 13.35 H new ATOM 0 HB3 LEU A 78 -0.115 6.610 -2.639 1.00 13.35 H new ATOM 0 HG LEU A 78 -1.683 4.032 -2.246 1.00 24.01 H new ATOM 0 HD11 LEU A 78 -0.017 3.511 -0.475 1.00 33.03 H new ATOM 0 HD12 LEU A 78 0.731 3.626 -2.087 1.00 33.03 H new ATOM 0 HD13 LEU A 78 0.901 4.967 -0.929 1.00 33.03 H new ATOM 0 HD21 LEU A 78 -2.038 4.815 0.087 1.00 14.23 H new ATOM 0 HD22 LEU A 78 -1.251 6.358 -0.323 1.00 14.23 H new ATOM 0 HD23 LEU A 78 -2.783 5.904 -1.107 1.00 14.23 H new ATOM 1189 N GLN A 79 -1.099 7.238 -5.910 1.00 11.55 N ATOM 1190 CA GLN A 79 -0.704 8.235 -6.935 1.00 71.54 C ATOM 1191 C GLN A 79 -1.895 9.104 -7.354 1.00 52.44 C ATOM 1192 O GLN A 79 -1.744 10.309 -7.571 1.00 54.12 O ATOM 1193 CB GLN A 79 -0.106 7.543 -8.187 1.00 51.24 C ATOM 1194 CG GLN A 79 1.314 6.995 -7.990 1.00 11.33 C ATOM 1195 CD GLN A 79 1.947 6.449 -9.267 1.00 13.54 C ATOM 1196 OE1 GLN A 79 1.619 6.879 -10.373 1.00 20.24 O ATOM 1197 NE2 GLN A 79 2.902 5.546 -9.123 1.00 13.52 N ATOM 0 H GLN A 79 -1.033 6.273 -6.233 1.00 11.55 H new ATOM 0 HA GLN A 79 0.056 8.873 -6.484 1.00 71.54 H new ATOM 0 HB2 GLN A 79 -0.761 6.723 -8.482 1.00 51.24 H new ATOM 0 HB3 GLN A 79 -0.096 8.256 -9.012 1.00 51.24 H new ATOM 0 HG2 GLN A 79 1.947 7.788 -7.592 1.00 11.33 H new ATOM 0 HG3 GLN A 79 1.287 6.203 -7.242 1.00 11.33 H new ATOM 0 HE21 GLN A 79 3.150 5.210 -8.192 1.00 13.52 H new ATOM 0 HE22 GLN A 79 3.391 5.185 -9.942 1.00 13.52 H new ATOM 1206 N PHE A 80 -3.076 8.467 -7.439 1.00 62.32 N ATOM 1207 CA PHE A 80 -4.318 9.105 -7.910 1.00 4.33 C ATOM 1208 C PHE A 80 -4.747 10.258 -6.980 1.00 13.34 C ATOM 1209 O PHE A 80 -5.348 11.239 -7.432 1.00 50.21 O ATOM 1210 CB PHE A 80 -5.436 8.032 -8.020 1.00 41.12 C ATOM 1211 CG PHE A 80 -6.722 8.501 -8.707 1.00 31.22 C ATOM 1212 CD1 PHE A 80 -6.819 8.519 -10.103 1.00 35.22 C ATOM 1213 CD2 PHE A 80 -7.830 8.920 -7.967 1.00 45.44 C ATOM 1214 CE1 PHE A 80 -7.977 8.942 -10.728 1.00 2.53 C ATOM 1215 CE2 PHE A 80 -8.983 9.341 -8.595 1.00 32.31 C ATOM 1216 CZ PHE A 80 -9.060 9.350 -9.973 1.00 24.53 C ATOM 0 H PHE A 80 -3.196 7.488 -7.181 1.00 62.32 H new ATOM 0 HA PHE A 80 -4.139 9.539 -8.894 1.00 4.33 H new ATOM 0 HB2 PHE A 80 -5.043 7.175 -8.566 1.00 41.12 H new ATOM 0 HB3 PHE A 80 -5.684 7.684 -7.017 1.00 41.12 H new ATOM 0 HD1 PHE A 80 -5.978 8.198 -10.700 1.00 35.22 H new ATOM 0 HD2 PHE A 80 -7.783 8.914 -6.888 1.00 45.44 H new ATOM 0 HE1 PHE A 80 -8.035 8.954 -11.806 1.00 2.53 H new ATOM 0 HE2 PHE A 80 -9.829 9.665 -8.007 1.00 32.31 H new ATOM 0 HZ PHE A 80 -9.967 9.676 -10.461 1.00 24.53 H new ATOM 1226 N TYR A 81 -4.432 10.125 -5.679 1.00 34.22 N ATOM 1227 CA TYR A 81 -4.767 11.138 -4.655 1.00 51.41 C ATOM 1228 C TYR A 81 -3.525 11.942 -4.209 1.00 33.45 C ATOM 1229 O TYR A 81 -3.668 13.054 -3.697 1.00 25.13 O ATOM 1230 CB TYR A 81 -5.433 10.442 -3.439 1.00 60.01 C ATOM 1231 CG TYR A 81 -6.748 9.721 -3.794 1.00 24.11 C ATOM 1232 CD1 TYR A 81 -7.936 10.441 -3.964 1.00 43.23 C ATOM 1233 CD2 TYR A 81 -6.799 8.337 -3.973 1.00 22.11 C ATOM 1234 CE1 TYR A 81 -9.116 9.808 -4.296 1.00 54.14 C ATOM 1235 CE2 TYR A 81 -7.976 7.700 -4.307 1.00 10.02 C ATOM 1236 CZ TYR A 81 -9.133 8.437 -4.467 1.00 34.31 C ATOM 1237 OH TYR A 81 -10.315 7.800 -4.795 1.00 31.00 O ATOM 0 H TYR A 81 -3.939 9.314 -5.306 1.00 34.22 H new ATOM 0 HA TYR A 81 -5.465 11.850 -5.096 1.00 51.41 H new ATOM 0 HB2 TYR A 81 -4.735 9.721 -3.015 1.00 60.01 H new ATOM 0 HB3 TYR A 81 -5.631 11.186 -2.667 1.00 60.01 H new ATOM 0 HD1 TYR A 81 -7.929 11.513 -3.833 1.00 43.23 H new ATOM 0 HD2 TYR A 81 -5.899 7.754 -3.847 1.00 22.11 H new ATOM 0 HE1 TYR A 81 -10.022 10.382 -4.422 1.00 54.14 H new ATOM 0 HE2 TYR A 81 -7.993 6.629 -4.443 1.00 10.02 H new ATOM 0 HH TYR A 81 -10.211 7.339 -5.653 1.00 31.00 H new ATOM 1247 N ILE A 82 -2.311 11.382 -4.408 1.00 62.41 N ATOM 1248 CA ILE A 82 -1.038 11.965 -3.903 1.00 75.41 C ATOM 1249 C ILE A 82 0.029 11.948 -5.027 1.00 73.51 C ATOM 1250 O ILE A 82 0.529 10.868 -5.377 1.00 44.21 O ATOM 1251 CB ILE A 82 -0.474 11.162 -2.663 1.00 41.01 C ATOM 1252 CG1 ILE A 82 -1.579 10.911 -1.587 1.00 12.33 C ATOM 1253 CG2 ILE A 82 0.748 11.877 -2.041 1.00 70.33 C ATOM 1254 CD1 ILE A 82 -1.191 9.921 -0.509 1.00 51.32 C ATOM 0 H ILE A 82 -2.181 10.512 -4.924 1.00 62.41 H new ATOM 0 HA ILE A 82 -1.251 12.987 -3.588 1.00 75.41 H new ATOM 0 HB ILE A 82 -0.146 10.190 -3.031 1.00 41.01 H new ATOM 0 HG12 ILE A 82 -1.833 11.861 -1.116 1.00 12.33 H new ATOM 0 HG13 ILE A 82 -2.479 10.552 -2.086 1.00 12.33 H new ATOM 0 HG21 ILE A 82 1.113 11.301 -1.191 1.00 70.33 H new ATOM 0 HG22 ILE A 82 1.538 11.963 -2.787 1.00 70.33 H new ATOM 0 HG23 ILE A 82 0.456 12.872 -1.706 1.00 70.33 H new ATOM 0 HD11 ILE A 82 -2.016 9.807 0.195 1.00 51.32 H new ATOM 0 HD12 ILE A 82 -0.967 8.956 -0.964 1.00 51.32 H new ATOM 0 HD13 ILE A 82 -0.310 10.286 0.020 1.00 51.32 H new ATOM 1266 N PRO A 83 0.403 13.133 -5.605 1.00 13.43 N ATOM 1267 CA PRO A 83 1.461 13.219 -6.651 1.00 25.43 C ATOM 1268 C PRO A 83 2.891 12.964 -6.101 1.00 74.53 C ATOM 1269 O PRO A 83 3.836 12.814 -6.890 1.00 44.30 O ATOM 1270 CB PRO A 83 1.300 14.667 -7.191 1.00 22.30 C ATOM 1271 CG PRO A 83 0.732 15.438 -6.037 1.00 71.51 C ATOM 1272 CD PRO A 83 -0.194 14.472 -5.325 1.00 32.10 C ATOM 0 HA PRO A 83 1.345 12.452 -7.417 1.00 25.43 H new ATOM 0 HB2 PRO A 83 2.257 15.080 -7.511 1.00 22.30 H new ATOM 0 HB3 PRO A 83 0.635 14.697 -8.054 1.00 22.30 H new ATOM 0 HG2 PRO A 83 1.521 15.788 -5.372 1.00 71.51 H new ATOM 0 HG3 PRO A 83 0.191 16.319 -6.381 1.00 71.51 H new ATOM 0 HD2 PRO A 83 -0.237 14.675 -4.255 1.00 32.10 H new ATOM 0 HD3 PRO A 83 -1.214 14.542 -5.704 1.00 32.10 H new ATOM 1280 N GLU A 84 3.042 12.945 -4.757 1.00 4.40 N ATOM 1281 CA GLU A 84 4.335 12.652 -4.080 1.00 45.42 C ATOM 1282 C GLU A 84 4.742 11.186 -4.290 1.00 23.22 C ATOM 1283 O GLU A 84 5.931 10.875 -4.410 1.00 71.35 O ATOM 1284 CB GLU A 84 4.268 12.967 -2.556 1.00 2.41 C ATOM 1285 CG GLU A 84 4.249 14.467 -2.188 1.00 34.41 C ATOM 1286 CD GLU A 84 3.085 15.239 -2.821 1.00 42.13 C ATOM 1287 OE1 GLU A 84 1.927 15.022 -2.412 1.00 54.41 O ATOM 1288 OE2 GLU A 84 3.316 16.053 -3.739 1.00 3.30 O ATOM 0 H GLU A 84 2.276 13.131 -4.109 1.00 4.40 H new ATOM 0 HA GLU A 84 5.088 13.299 -4.530 1.00 45.42 H new ATOM 0 HB2 GLU A 84 3.374 12.498 -2.145 1.00 2.41 H new ATOM 0 HB3 GLU A 84 5.125 12.502 -2.068 1.00 2.41 H new ATOM 0 HG2 GLU A 84 4.193 14.566 -1.104 1.00 34.41 H new ATOM 0 HG3 GLU A 84 5.189 14.922 -2.501 1.00 34.41 H new ATOM 1295 N VAL A 85 3.734 10.295 -4.316 1.00 31.23 N ATOM 1296 CA VAL A 85 3.944 8.860 -4.532 1.00 13.55 C ATOM 1297 C VAL A 85 4.403 8.611 -5.981 1.00 20.10 C ATOM 1298 O VAL A 85 3.625 8.763 -6.915 1.00 72.21 O ATOM 1299 CB VAL A 85 2.638 8.040 -4.212 1.00 30.10 C ATOM 1300 CG1 VAL A 85 2.833 6.516 -4.460 1.00 22.33 C ATOM 1301 CG2 VAL A 85 2.170 8.308 -2.756 1.00 55.24 C ATOM 0 H VAL A 85 2.756 10.553 -4.188 1.00 31.23 H new ATOM 0 HA VAL A 85 4.723 8.518 -3.850 1.00 13.55 H new ATOM 0 HB VAL A 85 1.861 8.380 -4.896 1.00 30.10 H new ATOM 0 HG11 VAL A 85 1.908 5.988 -4.227 1.00 22.33 H new ATOM 0 HG12 VAL A 85 3.093 6.348 -5.505 1.00 22.33 H new ATOM 0 HG13 VAL A 85 3.634 6.143 -3.822 1.00 22.33 H new ATOM 0 HG21 VAL A 85 1.266 7.733 -2.553 1.00 55.24 H new ATOM 0 HG22 VAL A 85 2.954 8.009 -2.061 1.00 55.24 H new ATOM 0 HG23 VAL A 85 1.960 9.370 -2.631 1.00 55.24 H new ATOM 1311 N GLU A 86 5.694 8.323 -6.147 1.00 52.32 N ATOM 1312 CA GLU A 86 6.280 7.861 -7.416 1.00 40.23 C ATOM 1313 C GLU A 86 6.111 6.337 -7.572 1.00 64.32 C ATOM 1314 O GLU A 86 5.994 5.832 -8.688 1.00 20.13 O ATOM 1315 CB GLU A 86 7.784 8.244 -7.469 1.00 33.51 C ATOM 1316 CG GLU A 86 8.052 9.765 -7.456 1.00 40.33 C ATOM 1317 CD GLU A 86 7.416 10.503 -8.657 1.00 50.12 C ATOM 1318 OE1 GLU A 86 7.940 10.376 -9.782 1.00 51.41 O ATOM 1319 OE2 GLU A 86 6.392 11.199 -8.484 1.00 21.23 O ATOM 0 H GLU A 86 6.377 8.404 -5.394 1.00 52.32 H new ATOM 0 HA GLU A 86 5.757 8.347 -8.240 1.00 40.23 H new ATOM 0 HB2 GLU A 86 8.293 7.790 -6.619 1.00 33.51 H new ATOM 0 HB3 GLU A 86 8.224 7.817 -8.370 1.00 33.51 H new ATOM 0 HG2 GLU A 86 7.664 10.188 -6.530 1.00 40.33 H new ATOM 0 HG3 GLU A 86 9.128 9.938 -7.459 1.00 40.33 H new ATOM 1326 N GLY A 87 6.090 5.618 -6.432 1.00 41.43 N ATOM 1327 CA GLY A 87 5.979 4.162 -6.437 1.00 43.55 C ATOM 1328 C GLY A 87 5.761 3.566 -5.055 1.00 43.33 C ATOM 1329 O GLY A 87 5.568 4.292 -4.079 1.00 45.44 O ATOM 0 H GLY A 87 6.149 6.030 -5.501 1.00 41.43 H new ATOM 0 HA2 GLY A 87 5.152 3.871 -7.084 1.00 43.55 H new ATOM 0 HA3 GLY A 87 6.886 3.738 -6.868 1.00 43.55 H new ATOM 1333 N VAL A 88 5.800 2.223 -4.994 1.00 32.33 N ATOM 1334 CA VAL A 88 5.609 1.425 -3.761 1.00 2.43 C ATOM 1335 C VAL A 88 6.651 0.285 -3.741 1.00 51.15 C ATOM 1336 O VAL A 88 6.840 -0.407 -4.749 1.00 1.32 O ATOM 1337 CB VAL A 88 4.139 0.827 -3.651 1.00 24.34 C ATOM 1338 CG1 VAL A 88 3.999 -0.215 -2.500 1.00 5.13 C ATOM 1339 CG2 VAL A 88 3.088 1.953 -3.472 1.00 75.14 C ATOM 0 H VAL A 88 5.969 1.645 -5.818 1.00 32.33 H new ATOM 0 HA VAL A 88 5.747 2.083 -2.903 1.00 2.43 H new ATOM 0 HB VAL A 88 3.952 0.308 -4.591 1.00 24.34 H new ATOM 0 HG11 VAL A 88 2.976 -0.590 -2.471 1.00 5.13 H new ATOM 0 HG12 VAL A 88 4.685 -1.044 -2.674 1.00 5.13 H new ATOM 0 HG13 VAL A 88 4.238 0.260 -1.548 1.00 5.13 H new ATOM 0 HG21 VAL A 88 2.093 1.514 -3.400 1.00 75.14 H new ATOM 0 HG22 VAL A 88 3.305 2.512 -2.562 1.00 75.14 H new ATOM 0 HG23 VAL A 88 3.126 2.626 -4.329 1.00 75.14 H new ATOM 1349 N GLU A 89 7.318 0.101 -2.588 1.00 43.22 N ATOM 1350 CA GLU A 89 8.326 -0.952 -2.375 1.00 44.21 C ATOM 1351 C GLU A 89 7.740 -2.043 -1.464 1.00 4.33 C ATOM 1352 O GLU A 89 7.055 -1.732 -0.474 1.00 42.23 O ATOM 1353 CB GLU A 89 9.592 -0.343 -1.711 1.00 1.44 C ATOM 1354 CG GLU A 89 10.735 -1.330 -1.432 1.00 60.20 C ATOM 1355 CD GLU A 89 11.936 -0.660 -0.740 1.00 12.34 C ATOM 1356 OE1 GLU A 89 12.833 -0.149 -1.443 1.00 31.23 O ATOM 1357 OE2 GLU A 89 11.979 -0.626 0.510 1.00 24.21 O ATOM 0 H GLU A 89 7.170 0.688 -1.767 1.00 43.22 H new ATOM 0 HA GLU A 89 8.601 -1.388 -3.336 1.00 44.21 H new ATOM 0 HB2 GLU A 89 9.971 0.452 -2.354 1.00 1.44 H new ATOM 0 HB3 GLU A 89 9.299 0.121 -0.769 1.00 1.44 H new ATOM 0 HG2 GLU A 89 10.365 -2.142 -0.806 1.00 60.20 H new ATOM 0 HG3 GLU A 89 11.063 -1.776 -2.371 1.00 60.20 H new ATOM 1364 N GLN A 90 7.996 -3.314 -1.816 1.00 70.53 N ATOM 1365 CA GLN A 90 7.661 -4.453 -0.954 1.00 54.24 C ATOM 1366 C GLN A 90 8.816 -4.677 0.031 1.00 2.34 C ATOM 1367 O GLN A 90 9.980 -4.736 -0.372 1.00 43.13 O ATOM 1368 CB GLN A 90 7.422 -5.757 -1.764 1.00 35.31 C ATOM 1369 CG GLN A 90 7.176 -7.004 -0.872 1.00 1.42 C ATOM 1370 CD GLN A 90 7.111 -8.314 -1.641 1.00 75.55 C ATOM 1371 OE1 GLN A 90 7.712 -8.458 -2.703 1.00 35.44 O ATOM 1372 NE2 GLN A 90 6.406 -9.291 -1.092 1.00 52.54 N ATOM 0 H GLN A 90 8.437 -3.576 -2.698 1.00 70.53 H new ATOM 0 HA GLN A 90 6.734 -4.219 -0.431 1.00 54.24 H new ATOM 0 HB2 GLN A 90 6.564 -5.615 -2.421 1.00 35.31 H new ATOM 0 HB3 GLN A 90 8.286 -5.942 -2.403 1.00 35.31 H new ATOM 0 HG2 GLN A 90 7.972 -7.070 -0.130 1.00 1.42 H new ATOM 0 HG3 GLN A 90 6.242 -6.869 -0.326 1.00 1.42 H new ATOM 0 HE21 GLN A 90 5.920 -9.135 -0.209 1.00 52.54 H new ATOM 0 HE22 GLN A 90 6.349 -10.200 -1.552 1.00 52.54 H new ATOM 1381 N VAL A 91 8.471 -4.762 1.307 1.00 62.23 N ATOM 1382 CA VAL A 91 9.344 -5.240 2.393 1.00 41.34 C ATOM 1383 C VAL A 91 8.499 -6.174 3.282 1.00 61.32 C ATOM 1384 O VAL A 91 7.273 -6.187 3.159 1.00 14.12 O ATOM 1385 CB VAL A 91 9.945 -4.039 3.240 1.00 22.15 C ATOM 1386 CG1 VAL A 91 11.104 -3.343 2.493 1.00 12.45 C ATOM 1387 CG2 VAL A 91 8.854 -2.999 3.603 1.00 72.05 C ATOM 0 H VAL A 91 7.544 -4.493 1.637 1.00 62.23 H new ATOM 0 HA VAL A 91 10.198 -5.772 1.975 1.00 41.34 H new ATOM 0 HB VAL A 91 10.336 -4.469 4.162 1.00 22.15 H new ATOM 0 HG11 VAL A 91 11.491 -2.526 3.102 1.00 12.45 H new ATOM 0 HG12 VAL A 91 11.900 -4.063 2.304 1.00 12.45 H new ATOM 0 HG13 VAL A 91 10.740 -2.947 1.545 1.00 12.45 H new ATOM 0 HG21 VAL A 91 9.300 -2.191 4.183 1.00 72.05 H new ATOM 0 HG22 VAL A 91 8.420 -2.593 2.689 1.00 72.05 H new ATOM 0 HG23 VAL A 91 8.074 -3.481 4.193 1.00 72.05 H new