USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 698 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: B 99 MET CE :methyl 140:sc= -0.479 (180deg=-1.6) USER MOD Set 1.2: B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 96 LYS NZ :NH3+ -159:sc= 0.53 (180deg=0) USER MOD Set 2.2: B 97 SER OG : rot -178:sc= 0.475 USER MOD Set 3.1: A 84 MET CE :methyl 175:sc= -2.05 (180deg=-2.15!) USER MOD Set 3.2: B 84 MET CE :methyl -174:sc= -1.03 (180deg=-1.14) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.192 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= 0.261 (180deg=0.0723) USER MOD Single : A 91 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 92 TYR OH : rot -20:sc= -0.157 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 143:sc= -0.235 (180deg=-1.18) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= -1.31 X(o=-1.3,f=-1.5) USER MOD Single : B 75 THR OG1 : rot 34:sc= 0.197 USER MOD Single : B 79 SER OG : rot 74:sc= 0.623 USER MOD Single : B 86 LYS NZ :NH3+ 153:sc= 0.472 (180deg=-0.703) USER MOD Single : B 91 THR OG1 : rot 91:sc= 1.1 USER MOD Single : B 92 TYR OH : rot -33:sc= -0.108 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 108 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-1.1) USER MOD Single : B 116 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.237 -5.233 2.342 1.00 14.12 N ATOM 242 CA THR A 75 -11.587 -4.164 3.303 1.00 65.44 C ATOM 243 C THR A 75 -10.414 -3.961 4.274 1.00 45.54 C ATOM 244 O THR A 75 -10.077 -2.817 4.635 1.00 50.54 O ATOM 245 CB THR A 75 -12.868 -4.504 4.134 1.00 23.01 C ATOM 246 OG1 THR A 75 -13.892 -5.003 3.280 1.00 40.30 O ATOM 247 CG2 THR A 75 -13.391 -3.281 4.911 1.00 1.22 C ATOM 0 HA THR A 75 -11.790 -3.260 2.728 1.00 65.44 H new ATOM 0 HB THR A 75 -12.590 -5.269 4.859 1.00 23.01 H new ATOM 0 HG1 THR A 75 -13.486 -5.476 2.524 1.00 40.30 H new ATOM 0 HG21 THR A 75 -14.281 -3.561 5.474 1.00 1.22 H new ATOM 0 HG22 THR A 75 -12.622 -2.931 5.599 1.00 1.22 H new ATOM 0 HG23 THR A 75 -13.641 -2.484 4.210 1.00 1.22 H new ATOM 255 N ASP A 76 -9.815 -5.118 4.688 1.00 72.03 N ATOM 256 CA ASP A 76 -8.554 -5.162 5.450 1.00 34.30 C ATOM 257 C ASP A 76 -7.512 -4.286 4.766 1.00 33.41 C ATOM 258 O ASP A 76 -6.863 -3.494 5.421 1.00 3.31 O ATOM 259 CB ASP A 76 -7.997 -6.614 5.583 1.00 3.33 C ATOM 260 CG ASP A 76 -8.817 -7.499 6.533 1.00 44.14 C ATOM 261 OD1 ASP A 76 -9.786 -8.139 6.084 1.00 4.11 O ATOM 262 OD2 ASP A 76 -8.494 -7.547 7.737 1.00 2.41 O ATOM 0 H ASP A 76 -10.204 -6.041 4.496 1.00 72.03 H new ATOM 0 HA ASP A 76 -8.765 -4.791 6.453 1.00 34.30 H new ATOM 0 HB2 ASP A 76 -7.973 -7.078 4.597 1.00 3.33 H new ATOM 0 HB3 ASP A 76 -6.968 -6.569 5.939 1.00 3.33 H new ATOM 267 N LEU A 77 -7.436 -4.403 3.421 1.00 35.21 N ATOM 268 CA LEU A 77 -6.462 -3.675 2.602 1.00 34.11 C ATOM 269 C LEU A 77 -6.635 -2.152 2.710 1.00 53.13 C ATOM 270 O LEU A 77 -5.644 -1.453 2.843 1.00 62.50 O ATOM 271 CB LEU A 77 -6.526 -4.118 1.118 1.00 54.24 C ATOM 272 CG LEU A 77 -5.441 -3.487 0.189 1.00 14.02 C ATOM 273 CD1 LEU A 77 -4.033 -3.681 0.770 1.00 2.10 C ATOM 274 CD2 LEU A 77 -5.529 -4.056 -1.233 1.00 51.42 C ATOM 0 H LEU A 77 -8.053 -5.008 2.880 1.00 35.21 H new ATOM 0 HA LEU A 77 -5.478 -3.926 2.997 1.00 34.11 H new ATOM 0 HB2 LEU A 77 -6.432 -5.203 1.075 1.00 54.24 H new ATOM 0 HB3 LEU A 77 -7.510 -3.867 0.723 1.00 54.24 H new ATOM 0 HG LEU A 77 -5.637 -2.416 0.134 1.00 14.02 H new ATOM 0 HD11 LEU A 77 -3.299 -3.232 0.102 1.00 2.10 H new ATOM 0 HD12 LEU A 77 -3.974 -3.203 1.748 1.00 2.10 H new ATOM 0 HD13 LEU A 77 -3.826 -4.746 0.873 1.00 2.10 H new ATOM 0 HD21 LEU A 77 -4.761 -3.598 -1.856 1.00 51.42 H new ATOM 0 HD22 LEU A 77 -5.376 -5.135 -1.203 1.00 51.42 H new ATOM 0 HD23 LEU A 77 -6.512 -3.840 -1.651 1.00 51.42 H new ATOM 286 N LEU A 78 -7.891 -1.657 2.685 1.00 11.43 N ATOM 287 CA LEU A 78 -8.190 -0.210 2.845 1.00 52.32 C ATOM 288 C LEU A 78 -7.583 0.332 4.163 1.00 52.14 C ATOM 289 O LEU A 78 -7.031 1.446 4.209 1.00 13.32 O ATOM 290 CB LEU A 78 -9.729 0.026 2.825 1.00 2.15 C ATOM 291 CG LEU A 78 -10.202 1.519 2.874 1.00 54.00 C ATOM 292 CD1 LEU A 78 -9.741 2.302 1.624 1.00 12.32 C ATOM 293 CD2 LEU A 78 -11.729 1.612 3.071 1.00 64.34 C ATOM 0 H LEU A 78 -8.720 -2.237 2.555 1.00 11.43 H new ATOM 0 HA LEU A 78 -7.739 0.329 2.012 1.00 52.32 H new ATOM 0 HB2 LEU A 78 -10.134 -0.432 1.922 1.00 2.15 H new ATOM 0 HB3 LEU A 78 -10.167 -0.500 3.673 1.00 2.15 H new ATOM 0 HG LEU A 78 -9.729 1.987 3.738 1.00 54.00 H new ATOM 0 HD11 LEU A 78 -10.087 3.333 1.693 1.00 12.32 H new ATOM 0 HD12 LEU A 78 -8.653 2.288 1.567 1.00 12.32 H new ATOM 0 HD13 LEU A 78 -10.158 1.838 0.730 1.00 12.32 H new ATOM 0 HD21 LEU A 78 -12.029 2.660 3.101 1.00 64.34 H new ATOM 0 HD22 LEU A 78 -12.234 1.114 2.243 1.00 64.34 H new ATOM 0 HD23 LEU A 78 -12.005 1.128 4.008 1.00 64.34 H new ATOM 305 N SER A 79 -7.659 -0.515 5.208 1.00 63.34 N ATOM 306 CA SER A 79 -7.074 -0.240 6.516 1.00 33.23 C ATOM 307 C SER A 79 -5.527 -0.361 6.487 1.00 11.15 C ATOM 308 O SER A 79 -4.848 0.505 7.021 1.00 34.30 O ATOM 309 CB SER A 79 -7.696 -1.189 7.561 1.00 12.41 C ATOM 310 OG SER A 79 -9.120 -1.083 7.564 1.00 62.42 O ATOM 0 H SER A 79 -8.135 -1.416 5.158 1.00 63.34 H new ATOM 0 HA SER A 79 -7.299 0.790 6.794 1.00 33.23 H new ATOM 0 HB2 SER A 79 -7.405 -2.217 7.344 1.00 12.41 H new ATOM 0 HB3 SER A 79 -7.308 -0.950 8.551 1.00 12.41 H new ATOM 0 HG SER A 79 -9.492 -1.695 8.233 1.00 62.42 H new ATOM 316 N VAL A 80 -4.992 -1.414 5.805 1.00 31.32 N ATOM 317 CA VAL A 80 -3.537 -1.716 5.753 1.00 2.31 C ATOM 318 C VAL A 80 -2.764 -0.576 5.071 1.00 12.44 C ATOM 319 O VAL A 80 -1.706 -0.181 5.552 1.00 61.25 O ATOM 320 CB VAL A 80 -3.230 -3.087 5.005 1.00 22.44 C ATOM 321 CG1 VAL A 80 -1.706 -3.335 4.832 1.00 41.23 C ATOM 322 CG2 VAL A 80 -3.882 -4.276 5.746 1.00 2.24 C ATOM 0 H VAL A 80 -5.561 -2.076 5.277 1.00 31.32 H new ATOM 0 HA VAL A 80 -3.205 -1.814 6.786 1.00 2.31 H new ATOM 0 HB VAL A 80 -3.665 -3.007 4.009 1.00 22.44 H new ATOM 0 HG11 VAL A 80 -1.548 -4.282 4.317 1.00 41.23 H new ATOM 0 HG12 VAL A 80 -1.270 -2.526 4.246 1.00 41.23 H new ATOM 0 HG13 VAL A 80 -1.230 -3.371 5.812 1.00 41.23 H new ATOM 0 HG21 VAL A 80 -3.658 -5.202 5.216 1.00 2.24 H new ATOM 0 HG22 VAL A 80 -3.487 -4.334 6.760 1.00 2.24 H new ATOM 0 HG23 VAL A 80 -4.962 -4.132 5.785 1.00 2.24 H new ATOM 332 N ILE A 81 -3.322 -0.054 3.957 1.00 54.33 N ATOM 333 CA ILE A 81 -2.736 1.068 3.207 1.00 24.42 C ATOM 334 C ILE A 81 -2.522 2.284 4.130 1.00 61.35 C ATOM 335 O ILE A 81 -1.420 2.821 4.226 1.00 12.52 O ATOM 336 CB ILE A 81 -3.637 1.494 1.982 1.00 14.34 C ATOM 337 CG1 ILE A 81 -3.884 0.307 1.001 1.00 11.30 C ATOM 338 CG2 ILE A 81 -3.004 2.686 1.241 1.00 12.11 C ATOM 339 CD1 ILE A 81 -2.635 -0.275 0.371 1.00 3.10 C ATOM 0 H ILE A 81 -4.193 -0.402 3.556 1.00 54.33 H new ATOM 0 HA ILE A 81 -1.776 0.725 2.822 1.00 24.42 H new ATOM 0 HB ILE A 81 -4.607 1.796 2.376 1.00 14.34 H new ATOM 0 HG12 ILE A 81 -4.405 -0.486 1.538 1.00 11.30 H new ATOM 0 HG13 ILE A 81 -4.550 0.645 0.207 1.00 11.30 H new ATOM 0 HG21 ILE A 81 -3.636 2.968 0.399 1.00 12.11 H new ATOM 0 HG22 ILE A 81 -2.910 3.531 1.924 1.00 12.11 H new ATOM 0 HG23 ILE A 81 -2.017 2.404 0.875 1.00 12.11 H new ATOM 0 HD11 ILE A 81 -2.910 -1.094 -0.294 1.00 3.10 H new ATOM 0 HD12 ILE A 81 -2.121 0.499 -0.199 1.00 3.10 H new ATOM 0 HD13 ILE A 81 -1.974 -0.649 1.153 1.00 3.10 H new ATOM 351 N GLU A 82 -3.600 2.660 4.837 1.00 21.03 N ATOM 352 CA GLU A 82 -3.616 3.833 5.724 1.00 25.42 C ATOM 353 C GLU A 82 -2.761 3.592 6.992 1.00 23.32 C ATOM 354 O GLU A 82 -2.180 4.540 7.542 1.00 24.12 O ATOM 355 CB GLU A 82 -5.080 4.187 6.090 1.00 50.00 C ATOM 356 CG GLU A 82 -5.240 5.535 6.820 1.00 4.01 C ATOM 357 CD GLU A 82 -6.701 5.878 7.121 1.00 1.14 C ATOM 358 OE1 GLU A 82 -7.409 6.355 6.209 1.00 15.23 O ATOM 359 OE2 GLU A 82 -7.154 5.650 8.260 1.00 20.33 O ATOM 0 H GLU A 82 -4.487 2.157 4.809 1.00 21.03 H new ATOM 0 HA GLU A 82 -3.172 4.678 5.197 1.00 25.42 H new ATOM 0 HB2 GLU A 82 -5.676 4.208 5.178 1.00 50.00 H new ATOM 0 HB3 GLU A 82 -5.487 3.395 6.719 1.00 50.00 H new ATOM 0 HG2 GLU A 82 -4.679 5.506 7.754 1.00 4.01 H new ATOM 0 HG3 GLU A 82 -4.804 6.327 6.211 1.00 4.01 H new ATOM 366 N GLU A 83 -2.679 2.306 7.435 1.00 54.43 N ATOM 367 CA GLU A 83 -1.771 1.883 8.522 1.00 33.34 C ATOM 368 C GLU A 83 -0.333 2.209 8.129 1.00 42.44 C ATOM 369 O GLU A 83 0.346 2.950 8.823 1.00 10.22 O ATOM 370 CB GLU A 83 -1.882 0.353 8.819 1.00 64.24 C ATOM 371 CG GLU A 83 -3.118 -0.084 9.629 1.00 72.35 C ATOM 372 CD GLU A 83 -3.157 0.521 11.040 1.00 21.31 C ATOM 373 OE1 GLU A 83 -2.253 0.223 11.857 1.00 61.23 O ATOM 374 OE2 GLU A 83 -4.078 1.303 11.344 1.00 44.43 O ATOM 0 H GLU A 83 -3.238 1.545 7.048 1.00 54.43 H new ATOM 0 HA GLU A 83 -2.060 2.422 9.424 1.00 33.34 H new ATOM 0 HB2 GLU A 83 -1.885 -0.183 7.870 1.00 64.24 H new ATOM 0 HB3 GLU A 83 -0.988 0.041 9.359 1.00 64.24 H new ATOM 0 HG2 GLU A 83 -4.020 0.207 9.090 1.00 72.35 H new ATOM 0 HG3 GLU A 83 -3.129 -1.171 9.706 1.00 72.35 H new ATOM 381 N MET A 84 0.082 1.673 6.970 1.00 74.22 N ATOM 382 CA MET A 84 1.399 1.926 6.382 1.00 12.23 C ATOM 383 C MET A 84 1.653 3.430 6.233 1.00 10.44 C ATOM 384 O MET A 84 2.723 3.898 6.583 1.00 63.31 O ATOM 385 CB MET A 84 1.516 1.231 5.000 1.00 71.22 C ATOM 386 CG MET A 84 1.469 -0.302 5.048 1.00 72.14 C ATOM 387 SD MET A 84 1.819 -1.063 3.448 1.00 3.10 S ATOM 388 CE MET A 84 0.586 -0.326 2.377 1.00 63.00 C ATOM 0 H MET A 84 -0.497 1.045 6.412 1.00 74.22 H new ATOM 0 HA MET A 84 2.152 1.513 7.053 1.00 12.23 H new ATOM 0 HB2 MET A 84 0.708 1.586 4.360 1.00 71.22 H new ATOM 0 HB3 MET A 84 2.451 1.538 4.532 1.00 71.22 H new ATOM 0 HG2 MET A 84 2.191 -0.660 5.781 1.00 72.14 H new ATOM 0 HG3 MET A 84 0.484 -0.620 5.389 1.00 72.14 H new ATOM 0 HE1 MET A 84 0.757 -0.648 1.350 1.00 63.00 H new ATOM 0 HE2 MET A 84 -0.408 -0.641 2.696 1.00 63.00 H new ATOM 0 HE3 MET A 84 0.658 0.760 2.433 1.00 63.00 H new ATOM 398 N GLY A 85 0.606 4.159 5.795 1.00 4.32 N ATOM 399 CA GLY A 85 0.682 5.580 5.494 1.00 51.02 C ATOM 400 C GLY A 85 1.161 6.442 6.645 1.00 21.45 C ATOM 401 O GLY A 85 2.113 7.224 6.484 1.00 15.10 O ATOM 0 H GLY A 85 -0.321 3.761 5.643 1.00 4.32 H new ATOM 0 HA2 GLY A 85 1.352 5.723 4.646 1.00 51.02 H new ATOM 0 HA3 GLY A 85 -0.304 5.926 5.184 1.00 51.02 H new ATOM 405 N LYS A 86 0.533 6.280 7.822 1.00 61.24 N ATOM 406 CA LYS A 86 0.955 6.992 9.041 1.00 31.21 C ATOM 407 C LYS A 86 2.325 6.489 9.537 1.00 52.00 C ATOM 408 O LYS A 86 3.096 7.251 10.130 1.00 54.32 O ATOM 409 CB LYS A 86 -0.105 6.840 10.167 1.00 10.41 C ATOM 410 CG LYS A 86 -0.467 5.389 10.529 1.00 2.35 C ATOM 411 CD LYS A 86 -1.393 5.278 11.760 1.00 1.43 C ATOM 412 CE LYS A 86 -1.900 3.844 11.978 1.00 45.12 C ATOM 413 NZ LYS A 86 -0.800 2.837 12.047 1.00 5.31 N ATOM 0 H LYS A 86 -0.268 5.663 7.955 1.00 61.24 H new ATOM 0 HA LYS A 86 1.048 8.048 8.786 1.00 31.21 H new ATOM 0 HB2 LYS A 86 0.264 7.341 11.062 1.00 10.41 H new ATOM 0 HB3 LYS A 86 -1.013 7.360 9.863 1.00 10.41 H new ATOM 0 HG2 LYS A 86 -0.953 4.919 9.674 1.00 2.35 H new ATOM 0 HG3 LYS A 86 0.449 4.831 10.721 1.00 2.35 H new ATOM 0 HD2 LYS A 86 -0.855 5.610 12.648 1.00 1.43 H new ATOM 0 HD3 LYS A 86 -2.244 5.947 11.634 1.00 1.43 H new ATOM 0 HE2 LYS A 86 -2.478 3.806 12.902 1.00 45.12 H new ATOM 0 HE3 LYS A 86 -2.578 3.578 11.167 1.00 45.12 H new ATOM 0 HZ1 LYS A 86 -1.179 1.933 12.394 1.00 5.31 H new ATOM 0 HZ2 LYS A 86 -0.393 2.702 11.099 1.00 5.31 H new ATOM 0 HZ3 LYS A 86 -0.061 3.174 12.696 1.00 5.31 H new ATOM 427 N GLU A 87 2.625 5.204 9.254 1.00 31.40 N ATOM 428 CA GLU A 87 3.851 4.532 9.724 1.00 31.40 C ATOM 429 C GLU A 87 5.046 4.787 8.786 1.00 3.00 C ATOM 430 O GLU A 87 6.151 4.336 9.068 1.00 40.41 O ATOM 431 CB GLU A 87 3.578 3.014 9.926 1.00 15.42 C ATOM 432 CG GLU A 87 2.481 2.753 10.988 1.00 3.02 C ATOM 433 CD GLU A 87 2.177 1.273 11.240 1.00 1.31 C ATOM 434 OE1 GLU A 87 2.986 0.602 11.912 1.00 74.21 O ATOM 435 OE2 GLU A 87 1.108 0.787 10.809 1.00 30.24 O ATOM 0 H GLU A 87 2.022 4.604 8.692 1.00 31.40 H new ATOM 0 HA GLU A 87 4.130 4.960 10.687 1.00 31.40 H new ATOM 0 HB2 GLU A 87 3.275 2.572 8.977 1.00 15.42 H new ATOM 0 HB3 GLU A 87 4.500 2.518 10.229 1.00 15.42 H new ATOM 0 HG2 GLU A 87 2.787 3.213 11.928 1.00 3.02 H new ATOM 0 HG3 GLU A 87 1.564 3.250 10.674 1.00 3.02 H new ATOM 442 N ILE A 88 4.826 5.547 7.690 1.00 52.01 N ATOM 443 CA ILE A 88 5.912 6.027 6.806 1.00 21.11 C ATOM 444 C ILE A 88 6.705 7.139 7.509 1.00 22.32 C ATOM 445 O ILE A 88 7.922 7.255 7.321 1.00 0.43 O ATOM 446 CB ILE A 88 5.345 6.566 5.435 1.00 24.21 C ATOM 447 CG1 ILE A 88 4.605 5.435 4.682 1.00 32.24 C ATOM 448 CG2 ILE A 88 6.459 7.179 4.549 1.00 72.12 C ATOM 449 CD1 ILE A 88 3.840 5.886 3.463 1.00 3.30 C ATOM 0 H ILE A 88 3.896 5.844 7.394 1.00 52.01 H new ATOM 0 HA ILE A 88 6.569 5.183 6.594 1.00 21.11 H new ATOM 0 HB ILE A 88 4.638 7.364 5.659 1.00 24.21 H new ATOM 0 HG12 ILE A 88 5.332 4.682 4.380 1.00 32.24 H new ATOM 0 HG13 ILE A 88 3.912 4.951 5.371 1.00 32.24 H new ATOM 0 HG21 ILE A 88 6.025 7.538 3.615 1.00 72.12 H new ATOM 0 HG22 ILE A 88 6.926 8.011 5.076 1.00 72.12 H new ATOM 0 HG23 ILE A 88 7.210 6.420 4.332 1.00 72.12 H new ATOM 0 HD11 ILE A 88 3.354 5.027 3.000 1.00 3.30 H new ATOM 0 HD12 ILE A 88 3.085 6.615 3.756 1.00 3.30 H new ATOM 0 HD13 ILE A 88 4.527 6.342 2.750 1.00 3.30 H new ATOM 461 N ARG A 89 6.002 7.958 8.317 1.00 64.05 N ATOM 462 CA ARG A 89 6.619 9.074 9.047 1.00 20.24 C ATOM 463 C ARG A 89 7.690 8.552 10.067 1.00 42.41 C ATOM 464 O ARG A 89 8.846 8.983 9.972 1.00 40.50 O ATOM 465 CB ARG A 89 5.530 9.972 9.715 1.00 15.24 C ATOM 466 CG ARG A 89 6.105 11.120 10.582 1.00 1.10 C ATOM 467 CD ARG A 89 5.031 11.939 11.323 1.00 50.44 C ATOM 468 NE ARG A 89 5.636 12.870 12.303 1.00 2.00 N ATOM 469 CZ ARG A 89 5.043 13.319 13.428 1.00 15.04 C ATOM 470 NH1 ARG A 89 3.801 12.934 13.754 1.00 61.25 N ATOM 471 NH2 ARG A 89 5.711 14.137 14.235 1.00 42.14 N ATOM 0 H ARG A 89 4.999 7.863 8.478 1.00 64.05 H new ATOM 0 HA ARG A 89 7.150 9.707 8.336 1.00 20.24 H new ATOM 0 HB2 ARG A 89 4.899 10.400 8.936 1.00 15.24 H new ATOM 0 HB3 ARG A 89 4.889 9.347 10.337 1.00 15.24 H new ATOM 0 HG2 ARG A 89 6.796 10.700 11.313 1.00 1.10 H new ATOM 0 HG3 ARG A 89 6.683 11.789 9.945 1.00 1.10 H new ATOM 0 HD2 ARG A 89 4.440 12.503 10.601 1.00 50.44 H new ATOM 0 HD3 ARG A 89 4.347 11.263 11.836 1.00 50.44 H new ATOM 0 HE ARG A 89 6.582 13.200 12.111 1.00 2.00 H new ATOM 0 HH11 ARG A 89 3.290 12.292 13.148 1.00 61.25 H new ATOM 0 HH12 ARG A 89 3.367 13.283 14.608 1.00 61.25 H new ATOM 0 HH21 ARG A 89 6.663 14.419 14.001 1.00 42.14 H new ATOM 0 HH22 ARG A 89 5.272 14.482 15.088 1.00 42.14 H new ATOM 485 N PRO A 90 7.370 7.615 11.040 1.00 74.33 N ATOM 486 CA PRO A 90 8.401 7.039 11.942 1.00 63.11 C ATOM 487 C PRO A 90 9.469 6.197 11.186 1.00 21.34 C ATOM 488 O PRO A 90 10.618 6.151 11.627 1.00 53.24 O ATOM 489 CB PRO A 90 7.595 6.208 12.972 1.00 62.35 C ATOM 490 CG PRO A 90 6.284 5.928 12.304 1.00 72.22 C ATOM 491 CD PRO A 90 6.020 7.104 11.396 1.00 63.35 C ATOM 0 HA PRO A 90 8.995 7.816 12.424 1.00 63.11 H new ATOM 0 HB2 PRO A 90 8.114 5.284 13.226 1.00 62.35 H new ATOM 0 HB3 PRO A 90 7.454 6.760 13.901 1.00 62.35 H new ATOM 0 HG2 PRO A 90 6.326 4.998 11.736 1.00 72.22 H new ATOM 0 HG3 PRO A 90 5.487 5.816 13.040 1.00 72.22 H new ATOM 0 HD2 PRO A 90 5.464 6.802 10.508 1.00 63.35 H new ATOM 0 HD3 PRO A 90 5.427 7.868 11.899 1.00 63.35 H new ATOM 499 N THR A 91 9.092 5.568 10.042 1.00 12.01 N ATOM 500 CA THR A 91 10.068 4.873 9.149 1.00 64.41 C ATOM 501 C THR A 91 11.148 5.862 8.672 1.00 65.22 C ATOM 502 O THR A 91 12.351 5.587 8.743 1.00 14.42 O ATOM 503 CB THR A 91 9.370 4.225 7.905 1.00 53.42 C ATOM 504 OG1 THR A 91 8.505 3.177 8.337 1.00 54.35 O ATOM 505 CG2 THR A 91 10.383 3.657 6.879 1.00 72.21 C ATOM 0 H THR A 91 8.127 5.526 9.715 1.00 12.01 H new ATOM 0 HA THR A 91 10.526 4.074 9.732 1.00 64.41 H new ATOM 0 HB THR A 91 8.806 5.013 7.407 1.00 53.42 H new ATOM 0 HG1 THR A 91 7.638 3.554 8.596 1.00 54.35 H new ATOM 0 HG21 THR A 91 9.844 3.221 6.038 1.00 72.21 H new ATOM 0 HG22 THR A 91 11.026 4.460 6.520 1.00 72.21 H new ATOM 0 HG23 THR A 91 10.993 2.890 7.356 1.00 72.21 H new ATOM 513 N TYR A 92 10.678 7.035 8.235 1.00 10.24 N ATOM 514 CA TYR A 92 11.536 8.129 7.806 1.00 54.01 C ATOM 515 C TYR A 92 12.344 8.687 9.001 1.00 4.33 C ATOM 516 O TYR A 92 13.463 9.154 8.827 1.00 54.32 O ATOM 517 CB TYR A 92 10.683 9.247 7.155 1.00 24.12 C ATOM 518 CG TYR A 92 11.522 10.448 6.726 1.00 75.31 C ATOM 519 CD1 TYR A 92 12.350 10.371 5.613 1.00 74.24 C ATOM 520 CD2 TYR A 92 11.544 11.632 7.474 1.00 43.25 C ATOM 521 CE1 TYR A 92 13.146 11.422 5.254 1.00 43.32 C ATOM 522 CE2 TYR A 92 12.355 12.686 7.119 1.00 75.23 C ATOM 523 CZ TYR A 92 13.156 12.572 6.011 1.00 64.41 C ATOM 524 OH TYR A 92 13.985 13.617 5.664 1.00 3.22 O ATOM 0 H TYR A 92 9.682 7.247 8.171 1.00 10.24 H new ATOM 0 HA TYR A 92 12.242 7.751 7.066 1.00 54.01 H new ATOM 0 HB2 TYR A 92 10.162 8.843 6.287 1.00 24.12 H new ATOM 0 HB3 TYR A 92 9.920 9.575 7.861 1.00 24.12 H new ATOM 0 HD1 TYR A 92 12.365 9.467 5.023 1.00 74.24 H new ATOM 0 HD2 TYR A 92 10.913 11.720 8.346 1.00 43.25 H new ATOM 0 HE1 TYR A 92 13.769 11.350 4.374 1.00 43.32 H new ATOM 0 HE2 TYR A 92 12.361 13.592 7.706 1.00 75.23 H new ATOM 0 HH TYR A 92 14.701 13.287 5.082 1.00 3.22 H new ATOM 534 N ALA A 93 11.763 8.615 10.208 1.00 74.44 N ATOM 535 CA ALA A 93 12.404 9.109 11.443 1.00 22.24 C ATOM 536 C ALA A 93 13.471 8.129 11.974 1.00 31.40 C ATOM 537 O ALA A 93 14.099 8.396 12.996 1.00 43.51 O ATOM 538 CB ALA A 93 11.333 9.375 12.518 1.00 61.23 C ATOM 0 H ALA A 93 10.837 8.214 10.359 1.00 74.44 H new ATOM 0 HA ALA A 93 12.916 10.041 11.203 1.00 22.24 H new ATOM 0 HB1 ALA A 93 11.812 9.739 13.427 1.00 61.23 H new ATOM 0 HB2 ALA A 93 10.630 10.124 12.153 1.00 61.23 H new ATOM 0 HB3 ALA A 93 10.798 8.450 12.735 1.00 61.23 H new ATOM 544 N GLY A 94 13.664 6.986 11.279 1.00 43.14 N ATOM 545 CA GLY A 94 14.702 6.011 11.638 1.00 61.11 C ATOM 546 C GLY A 94 14.185 4.832 12.454 1.00 74.21 C ATOM 547 O GLY A 94 14.962 3.925 12.765 1.00 20.41 O ATOM 0 H GLY A 94 13.109 6.721 10.465 1.00 43.14 H new ATOM 0 HA2 GLY A 94 15.164 5.634 10.726 1.00 61.11 H new ATOM 0 HA3 GLY A 94 15.483 6.518 12.205 1.00 61.11 H new ATOM 551 N SER A 95 12.892 4.852 12.829 1.00 11.14 N ATOM 552 CA SER A 95 12.249 3.729 13.539 1.00 43.11 C ATOM 553 C SER A 95 12.150 2.484 12.631 1.00 30.51 C ATOM 554 O SER A 95 11.264 2.411 11.764 1.00 12.53 O ATOM 555 CB SER A 95 10.842 4.144 14.028 1.00 30.32 C ATOM 556 OG SER A 95 10.894 5.327 14.797 1.00 10.01 O ATOM 0 H SER A 95 12.268 5.639 12.651 1.00 11.14 H new ATOM 0 HA SER A 95 12.865 3.474 14.401 1.00 43.11 H new ATOM 0 HB2 SER A 95 10.186 4.294 13.170 1.00 30.32 H new ATOM 0 HB3 SER A 95 10.410 3.340 14.623 1.00 30.32 H new ATOM 0 HG SER A 95 9.990 5.566 15.091 1.00 10.01 H new ATOM 562 N LYS A 96 13.099 1.541 12.818 1.00 25.20 N ATOM 563 CA LYS A 96 13.106 0.222 12.130 1.00 21.20 C ATOM 564 C LYS A 96 11.827 -0.593 12.416 1.00 24.03 C ATOM 565 O LYS A 96 11.455 -1.449 11.612 1.00 54.34 O ATOM 566 CB LYS A 96 14.376 -0.615 12.498 1.00 71.32 C ATOM 567 CG LYS A 96 14.484 -1.119 13.967 1.00 14.23 C ATOM 568 CD LYS A 96 14.835 -0.006 14.977 1.00 3.51 C ATOM 569 CE LYS A 96 14.961 -0.526 16.419 1.00 64.42 C ATOM 570 NZ LYS A 96 15.342 0.555 17.372 1.00 55.34 N ATOM 0 H LYS A 96 13.887 1.670 13.452 1.00 25.20 H new ATOM 0 HA LYS A 96 13.132 0.435 11.061 1.00 21.20 H new ATOM 0 HB2 LYS A 96 14.415 -1.482 11.838 1.00 71.32 H new ATOM 0 HB3 LYS A 96 15.256 -0.010 12.281 1.00 71.32 H new ATOM 0 HG2 LYS A 96 13.537 -1.576 14.256 1.00 14.23 H new ATOM 0 HG3 LYS A 96 15.243 -1.899 14.020 1.00 14.23 H new ATOM 0 HD2 LYS A 96 15.774 0.463 14.682 1.00 3.51 H new ATOM 0 HD3 LYS A 96 14.067 0.767 14.940 1.00 3.51 H new ATOM 0 HE2 LYS A 96 14.013 -0.966 16.730 1.00 64.42 H new ATOM 0 HE3 LYS A 96 15.707 -1.320 16.454 1.00 64.42 H new ATOM 0 HZ1 LYS A 96 15.416 0.161 18.332 1.00 55.34 H new ATOM 0 HZ2 LYS A 96 16.259 0.958 17.091 1.00 55.34 H new ATOM 0 HZ3 LYS A 96 14.617 1.301 17.359 1.00 55.34 H new ATOM 584 N SER A 97 11.179 -0.313 13.564 1.00 42.13 N ATOM 585 CA SER A 97 9.894 -0.927 13.942 1.00 30.44 C ATOM 586 C SER A 97 8.795 -0.580 12.919 1.00 3.53 C ATOM 587 O SER A 97 8.084 -1.465 12.432 1.00 23.00 O ATOM 588 CB SER A 97 9.475 -0.440 15.346 1.00 71.04 C ATOM 589 OG SER A 97 8.266 -1.040 15.784 1.00 15.40 O ATOM 0 H SER A 97 11.534 0.347 14.256 1.00 42.13 H new ATOM 0 HA SER A 97 10.021 -2.009 13.955 1.00 30.44 H new ATOM 0 HB2 SER A 97 10.269 -0.665 16.058 1.00 71.04 H new ATOM 0 HB3 SER A 97 9.357 0.643 15.332 1.00 71.04 H new ATOM 0 HG SER A 97 8.039 -0.705 16.677 1.00 15.40 H new ATOM 595 N ALA A 98 8.690 0.726 12.599 1.00 43.21 N ATOM 596 CA ALA A 98 7.739 1.243 11.611 1.00 45.40 C ATOM 597 C ALA A 98 8.041 0.697 10.215 1.00 35.23 C ATOM 598 O ALA A 98 7.126 0.332 9.482 1.00 55.42 O ATOM 599 CB ALA A 98 7.793 2.762 11.599 1.00 22.52 C ATOM 0 H ALA A 98 9.269 1.450 13.025 1.00 43.21 H new ATOM 0 HA ALA A 98 6.738 0.914 11.891 1.00 45.40 H new ATOM 0 HB1 ALA A 98 7.085 3.145 10.864 1.00 22.52 H new ATOM 0 HB2 ALA A 98 7.533 3.143 12.586 1.00 22.52 H new ATOM 0 HB3 ALA A 98 8.800 3.088 11.338 1.00 22.52 H new ATOM 605 N MET A 99 9.350 0.655 9.869 1.00 33.22 N ATOM 606 CA MET A 99 9.838 0.120 8.583 1.00 3.33 C ATOM 607 C MET A 99 9.481 -1.368 8.424 1.00 4.44 C ATOM 608 O MET A 99 9.169 -1.821 7.324 1.00 60.03 O ATOM 609 CB MET A 99 11.373 0.303 8.476 1.00 53.30 C ATOM 610 CG MET A 99 11.972 -0.185 7.147 1.00 24.03 C ATOM 611 SD MET A 99 13.766 -0.105 7.111 1.00 42.35 S ATOM 612 CE MET A 99 14.218 -1.144 8.500 1.00 3.31 C ATOM 0 H MET A 99 10.096 0.993 10.478 1.00 33.22 H new ATOM 0 HA MET A 99 9.349 0.676 7.784 1.00 3.33 H new ATOM 0 HB2 MET A 99 11.612 1.359 8.604 1.00 53.30 H new ATOM 0 HB3 MET A 99 11.850 -0.234 9.296 1.00 53.30 H new ATOM 0 HG2 MET A 99 11.657 -1.213 6.969 1.00 24.03 H new ATOM 0 HG3 MET A 99 11.571 0.417 6.332 1.00 24.03 H new ATOM 0 HE1 MET A 99 15.118 -1.708 8.255 1.00 3.31 H new ATOM 0 HE2 MET A 99 14.407 -0.521 9.374 1.00 3.31 H new ATOM 0 HE3 MET A 99 13.404 -1.836 8.717 1.00 3.31 H new ATOM 622 N GLU A 100 9.529 -2.107 9.548 1.00 72.44 N ATOM 623 CA GLU A 100 9.176 -3.534 9.601 1.00 42.41 C ATOM 624 C GLU A 100 7.687 -3.714 9.263 1.00 31.02 C ATOM 625 O GLU A 100 7.335 -4.551 8.450 1.00 11.44 O ATOM 626 CB GLU A 100 9.503 -4.122 11.003 1.00 31.24 C ATOM 627 CG GLU A 100 9.269 -5.639 11.123 1.00 55.13 C ATOM 628 CD GLU A 100 9.606 -6.180 12.518 1.00 13.23 C ATOM 629 OE1 GLU A 100 10.793 -6.448 12.795 1.00 74.43 O ATOM 630 OE2 GLU A 100 8.685 -6.319 13.347 1.00 2.21 O ATOM 0 H GLU A 100 9.816 -1.726 10.450 1.00 72.44 H new ATOM 0 HA GLU A 100 9.768 -4.076 8.864 1.00 42.41 H new ATOM 0 HB2 GLU A 100 10.545 -3.907 11.241 1.00 31.24 H new ATOM 0 HB3 GLU A 100 8.894 -3.612 11.749 1.00 31.24 H new ATOM 0 HG2 GLU A 100 8.227 -5.861 10.893 1.00 55.13 H new ATOM 0 HG3 GLU A 100 9.876 -6.156 10.380 1.00 55.13 H new ATOM 637 N ARG A 101 6.852 -2.834 9.830 1.00 64.33 N ATOM 638 CA ARG A 101 5.388 -2.842 9.612 1.00 73.11 C ATOM 639 C ARG A 101 5.040 -2.340 8.202 1.00 41.43 C ATOM 640 O ARG A 101 4.020 -2.724 7.631 1.00 60.03 O ATOM 641 CB ARG A 101 4.693 -1.940 10.658 1.00 70.13 C ATOM 642 CG ARG A 101 4.770 -2.454 12.106 1.00 4.22 C ATOM 643 CD ARG A 101 4.027 -3.783 12.295 1.00 52.44 C ATOM 644 NE ARG A 101 4.000 -4.205 13.704 1.00 24.53 N ATOM 645 CZ ARG A 101 2.924 -4.159 14.508 1.00 45.10 C ATOM 646 NH1 ARG A 101 1.753 -3.706 14.060 1.00 61.42 N ATOM 647 NH2 ARG A 101 3.026 -4.584 15.757 1.00 3.44 N ATOM 0 H ARG A 101 7.167 -2.092 10.455 1.00 64.33 H new ATOM 0 HA ARG A 101 5.037 -3.869 9.717 1.00 73.11 H new ATOM 0 HB2 ARG A 101 5.141 -0.947 10.616 1.00 70.13 H new ATOM 0 HB3 ARG A 101 3.644 -1.829 10.382 1.00 70.13 H new ATOM 0 HG2 ARG A 101 5.815 -2.582 12.388 1.00 4.22 H new ATOM 0 HG3 ARG A 101 4.348 -1.706 12.777 1.00 4.22 H new ATOM 0 HD2 ARG A 101 3.006 -3.683 11.927 1.00 52.44 H new ATOM 0 HD3 ARG A 101 4.508 -4.555 11.695 1.00 52.44 H new ATOM 0 HE ARG A 101 4.868 -4.561 14.103 1.00 24.53 H new ATOM 0 HH11 ARG A 101 1.665 -3.388 13.095 1.00 61.42 H new ATOM 0 HH12 ARG A 101 0.945 -3.677 14.682 1.00 61.42 H new ATOM 0 HH21 ARG A 101 3.916 -4.943 16.103 1.00 3.44 H new ATOM 0 HH22 ARG A 101 2.215 -4.553 16.374 1.00 3.44 H new ATOM 661 N LEU A 102 5.896 -1.471 7.665 1.00 71.23 N ATOM 662 CA LEU A 102 5.704 -0.853 6.352 1.00 73.43 C ATOM 663 C LEU A 102 5.971 -1.890 5.241 1.00 72.14 C ATOM 664 O LEU A 102 5.142 -2.063 4.345 1.00 13.51 O ATOM 665 CB LEU A 102 6.633 0.393 6.238 1.00 64.10 C ATOM 666 CG LEU A 102 6.458 1.309 4.986 1.00 53.42 C ATOM 667 CD1 LEU A 102 4.996 1.715 4.763 1.00 34.32 C ATOM 668 CD2 LEU A 102 7.349 2.557 5.100 1.00 14.02 C ATOM 0 H LEU A 102 6.751 -1.173 8.134 1.00 71.23 H new ATOM 0 HA LEU A 102 4.674 -0.516 6.233 1.00 73.43 H new ATOM 0 HB2 LEU A 102 6.484 1.006 7.127 1.00 64.10 H new ATOM 0 HB3 LEU A 102 7.666 0.046 6.259 1.00 64.10 H new ATOM 0 HG LEU A 102 6.769 0.727 4.118 1.00 53.42 H new ATOM 0 HD11 LEU A 102 4.926 2.351 3.881 1.00 34.32 H new ATOM 0 HD12 LEU A 102 4.389 0.822 4.615 1.00 34.32 H new ATOM 0 HD13 LEU A 102 4.633 2.261 5.634 1.00 34.32 H new ATOM 0 HD21 LEU A 102 7.213 3.183 4.218 1.00 14.02 H new ATOM 0 HD22 LEU A 102 7.073 3.121 5.991 1.00 14.02 H new ATOM 0 HD23 LEU A 102 8.393 2.253 5.172 1.00 14.02 H new ATOM 680 N LYS A 103 7.125 -2.589 5.331 1.00 31.13 N ATOM 681 CA LYS A 103 7.482 -3.700 4.415 1.00 22.20 C ATOM 682 C LYS A 103 6.482 -4.869 4.517 1.00 75.30 C ATOM 683 O LYS A 103 5.996 -5.355 3.492 1.00 31.41 O ATOM 684 CB LYS A 103 8.923 -4.197 4.696 1.00 71.23 C ATOM 685 CG LYS A 103 10.028 -3.147 4.424 1.00 32.45 C ATOM 686 CD LYS A 103 11.448 -3.685 4.721 1.00 75.14 C ATOM 687 CE LYS A 103 11.650 -4.057 6.204 1.00 34.30 C ATOM 688 NZ LYS A 103 12.978 -4.693 6.449 1.00 20.51 N ATOM 0 H LYS A 103 7.835 -2.401 6.039 1.00 31.13 H new ATOM 0 HA LYS A 103 7.434 -3.312 3.398 1.00 22.20 H new ATOM 0 HB2 LYS A 103 8.988 -4.513 5.737 1.00 71.23 H new ATOM 0 HB3 LYS A 103 9.117 -5.077 4.083 1.00 71.23 H new ATOM 0 HG2 LYS A 103 9.974 -2.830 3.382 1.00 32.45 H new ATOM 0 HG3 LYS A 103 9.843 -2.264 5.036 1.00 32.45 H new ATOM 0 HD2 LYS A 103 11.635 -4.563 4.103 1.00 75.14 H new ATOM 0 HD3 LYS A 103 12.183 -2.932 4.437 1.00 75.14 H new ATOM 0 HE2 LYS A 103 11.559 -3.161 6.817 1.00 34.30 H new ATOM 0 HE3 LYS A 103 10.859 -4.739 6.517 1.00 34.30 H new ATOM 0 HZ1 LYS A 103 13.070 -4.926 7.458 1.00 20.51 H new ATOM 0 HZ2 LYS A 103 13.056 -5.563 5.884 1.00 20.51 H new ATOM 0 HZ3 LYS A 103 13.734 -4.034 6.175 1.00 20.51 H new ATOM 702 N ARG A 104 6.174 -5.292 5.769 1.00 72.35 N ATOM 703 CA ARG A 104 5.139 -6.324 6.059 1.00 13.13 C ATOM 704 C ARG A 104 3.781 -5.920 5.470 1.00 33.21 C ATOM 705 O ARG A 104 3.016 -6.775 4.994 1.00 22.54 O ATOM 706 CB ARG A 104 4.994 -6.542 7.597 1.00 72.24 C ATOM 707 CG ARG A 104 6.093 -7.417 8.235 1.00 42.32 C ATOM 708 CD ARG A 104 5.919 -7.535 9.756 1.00 52.33 C ATOM 709 NE ARG A 104 6.914 -8.428 10.356 1.00 70.14 N ATOM 710 CZ ARG A 104 7.006 -8.716 11.661 1.00 11.40 C ATOM 711 NH1 ARG A 104 6.155 -8.184 12.541 1.00 22.53 N ATOM 712 NH2 ARG A 104 7.955 -9.542 12.082 1.00 63.24 N ATOM 0 H ARG A 104 6.633 -4.930 6.605 1.00 72.35 H new ATOM 0 HA ARG A 104 5.462 -7.255 5.594 1.00 13.13 H new ATOM 0 HB2 ARG A 104 4.993 -5.569 8.089 1.00 72.24 H new ATOM 0 HB3 ARG A 104 4.025 -7.000 7.795 1.00 72.24 H new ATOM 0 HG2 ARG A 104 6.070 -8.411 7.789 1.00 42.32 H new ATOM 0 HG3 ARG A 104 7.071 -6.990 8.013 1.00 42.32 H new ATOM 0 HD2 ARG A 104 6.000 -6.546 10.208 1.00 52.33 H new ATOM 0 HD3 ARG A 104 4.918 -7.906 9.979 1.00 52.33 H new ATOM 0 HE ARG A 104 7.590 -8.865 9.730 1.00 70.14 H new ATOM 0 HH11 ARG A 104 5.423 -7.549 12.223 1.00 22.53 H new ATOM 0 HH12 ARG A 104 6.237 -8.412 13.532 1.00 22.53 H new ATOM 0 HH21 ARG A 104 8.607 -9.952 11.414 1.00 63.24 H new ATOM 0 HH22 ARG A 104 8.032 -9.767 13.074 1.00 63.24 H new ATOM 726 N GLY A 105 3.517 -4.601 5.510 1.00 53.45 N ATOM 727 CA GLY A 105 2.328 -4.024 4.927 1.00 41.22 C ATOM 728 C GLY A 105 2.253 -4.285 3.438 1.00 71.45 C ATOM 729 O GLY A 105 1.242 -4.775 2.980 1.00 21.24 O ATOM 0 H GLY A 105 4.133 -3.919 5.952 1.00 53.45 H new ATOM 0 HA2 GLY A 105 1.445 -4.439 5.414 1.00 41.22 H new ATOM 0 HA3 GLY A 105 2.318 -2.949 5.109 1.00 41.22 H new ATOM 733 N ILE A 106 3.357 -4.006 2.702 1.00 55.53 N ATOM 734 CA ILE A 106 3.432 -4.207 1.238 1.00 0.54 C ATOM 735 C ILE A 106 3.268 -5.701 0.841 1.00 52.55 C ATOM 736 O ILE A 106 2.508 -6.009 -0.081 1.00 2.24 O ATOM 737 CB ILE A 106 4.777 -3.582 0.620 1.00 4.04 C ATOM 738 CG1 ILE A 106 4.584 -2.070 0.234 1.00 71.43 C ATOM 739 CG2 ILE A 106 5.308 -4.380 -0.616 1.00 13.02 C ATOM 740 CD1 ILE A 106 4.367 -1.103 1.381 1.00 44.34 C ATOM 0 H ILE A 106 4.217 -3.636 3.108 1.00 55.53 H new ATOM 0 HA ILE A 106 2.589 -3.667 0.806 1.00 0.54 H new ATOM 0 HB ILE A 106 5.527 -3.657 1.407 1.00 4.04 H new ATOM 0 HG12 ILE A 106 5.462 -1.746 -0.325 1.00 71.43 H new ATOM 0 HG13 ILE A 106 3.731 -1.996 -0.441 1.00 71.43 H new ATOM 0 HG21 ILE A 106 6.218 -3.910 -0.989 1.00 13.02 H new ATOM 0 HG22 ILE A 106 5.525 -5.407 -0.320 1.00 13.02 H new ATOM 0 HG23 ILE A 106 4.552 -4.381 -1.401 1.00 13.02 H new ATOM 0 HD11 ILE A 106 4.247 -0.093 0.988 1.00 44.34 H new ATOM 0 HD12 ILE A 106 3.470 -1.387 1.932 1.00 44.34 H new ATOM 0 HD13 ILE A 106 5.227 -1.132 2.049 1.00 44.34 H new ATOM 752 N ILE A 107 3.974 -6.614 1.546 1.00 63.24 N ATOM 753 CA ILE A 107 3.934 -8.074 1.248 1.00 31.40 C ATOM 754 C ILE A 107 2.485 -8.599 1.351 1.00 21.23 C ATOM 755 O ILE A 107 1.971 -9.282 0.451 1.00 75.04 O ATOM 756 CB ILE A 107 4.849 -8.888 2.239 1.00 14.44 C ATOM 757 CG1 ILE A 107 6.318 -8.357 2.211 1.00 1.50 C ATOM 758 CG2 ILE A 107 4.802 -10.408 1.921 1.00 1.42 C ATOM 759 CD1 ILE A 107 7.214 -8.952 3.289 1.00 35.31 C ATOM 0 H ILE A 107 4.581 -6.370 2.328 1.00 63.24 H new ATOM 0 HA ILE A 107 4.308 -8.213 0.234 1.00 31.40 H new ATOM 0 HB ILE A 107 4.459 -8.744 3.247 1.00 14.44 H new ATOM 0 HG12 ILE A 107 6.752 -8.571 1.234 1.00 1.50 H new ATOM 0 HG13 ILE A 107 6.303 -7.273 2.323 1.00 1.50 H new ATOM 0 HG21 ILE A 107 5.442 -10.946 2.620 1.00 1.42 H new ATOM 0 HG22 ILE A 107 3.778 -10.768 2.016 1.00 1.42 H new ATOM 0 HG23 ILE A 107 5.153 -10.578 0.903 1.00 1.42 H new ATOM 0 HD11 ILE A 107 8.216 -8.532 3.202 1.00 35.31 H new ATOM 0 HD12 ILE A 107 6.806 -8.716 4.272 1.00 35.31 H new ATOM 0 HD13 ILE A 107 7.262 -10.034 3.166 1.00 35.31 H new ATOM 771 N HIS A 108 1.845 -8.214 2.460 1.00 33.11 N ATOM 772 CA HIS A 108 0.459 -8.569 2.760 1.00 3.15 C ATOM 773 C HIS A 108 -0.516 -7.853 1.798 1.00 43.23 C ATOM 774 O HIS A 108 -1.485 -8.460 1.338 1.00 25.14 O ATOM 775 CB HIS A 108 0.136 -8.216 4.231 1.00 44.45 C ATOM 776 CG HIS A 108 -1.274 -8.513 4.640 1.00 35.41 C ATOM 777 ND1 HIS A 108 -2.026 -7.648 5.396 1.00 14.32 N ATOM 778 CD2 HIS A 108 -2.072 -9.587 4.409 1.00 64.12 C ATOM 779 CE1 HIS A 108 -3.211 -8.168 5.607 1.00 54.25 C ATOM 780 NE2 HIS A 108 -3.265 -9.339 5.021 1.00 13.21 N ATOM 0 H HIS A 108 2.282 -7.640 3.181 1.00 33.11 H new ATOM 0 HA HIS A 108 0.334 -9.643 2.618 1.00 3.15 H new ATOM 0 HB2 HIS A 108 0.815 -8.767 4.882 1.00 44.45 H new ATOM 0 HB3 HIS A 108 0.332 -7.156 4.390 1.00 44.45 H new ATOM 0 HD1 HIS A 108 -1.711 -6.741 5.740 1.00 14.32 H new ATOM 0 HD2 HIS A 108 -1.811 -10.471 3.846 1.00 64.12 H new ATOM 0 HE1 HIS A 108 -4.010 -7.708 6.170 1.00 54.25 H new ATOM 789 N ALA A 109 -0.230 -6.581 1.486 1.00 54.44 N ATOM 790 CA ALA A 109 -1.114 -5.730 0.666 1.00 62.45 C ATOM 791 C ALA A 109 -1.260 -6.274 -0.757 1.00 23.22 C ATOM 792 O ALA A 109 -2.372 -6.385 -1.273 1.00 40.54 O ATOM 793 CB ALA A 109 -0.596 -4.286 0.633 1.00 4.40 C ATOM 0 H ALA A 109 0.621 -6.110 1.794 1.00 54.44 H new ATOM 0 HA ALA A 109 -2.100 -5.741 1.130 1.00 62.45 H new ATOM 0 HB1 ALA A 109 -1.261 -3.675 0.023 1.00 4.40 H new ATOM 0 HB2 ALA A 109 -0.564 -3.888 1.647 1.00 4.40 H new ATOM 0 HB3 ALA A 109 0.406 -4.269 0.205 1.00 4.40 H new ATOM 799 N ARG A 110 -0.117 -6.660 -1.353 1.00 22.22 N ATOM 800 CA ARG A 110 -0.054 -7.180 -2.732 1.00 2.44 C ATOM 801 C ARG A 110 -0.722 -8.563 -2.814 1.00 4.35 C ATOM 802 O ARG A 110 -1.257 -8.941 -3.864 1.00 10.15 O ATOM 803 CB ARG A 110 1.428 -7.235 -3.206 1.00 11.23 C ATOM 804 CG ARG A 110 1.624 -7.635 -4.684 1.00 72.41 C ATOM 805 CD ARG A 110 3.066 -7.428 -5.175 1.00 3.12 C ATOM 806 NE ARG A 110 4.057 -8.164 -4.372 1.00 55.43 N ATOM 807 CZ ARG A 110 5.342 -8.362 -4.723 1.00 33.33 C ATOM 808 NH1 ARG A 110 5.828 -7.882 -5.878 1.00 34.41 N ATOM 809 NH2 ARG A 110 6.139 -9.054 -3.911 1.00 1.10 N ATOM 0 H ARG A 110 0.791 -6.620 -0.891 1.00 22.22 H new ATOM 0 HA ARG A 110 -0.600 -6.510 -3.396 1.00 2.44 H new ATOM 0 HB2 ARG A 110 1.882 -6.257 -3.046 1.00 11.23 H new ATOM 0 HB3 ARG A 110 1.969 -7.943 -2.578 1.00 11.23 H new ATOM 0 HG2 ARG A 110 1.349 -8.682 -4.811 1.00 72.41 H new ATOM 0 HG3 ARG A 110 0.946 -7.050 -5.306 1.00 72.41 H new ATOM 0 HD2 ARG A 110 3.140 -7.747 -6.215 1.00 3.12 H new ATOM 0 HD3 ARG A 110 3.304 -6.364 -5.150 1.00 3.12 H new ATOM 0 HE ARG A 110 3.746 -8.554 -3.482 1.00 55.43 H new ATOM 0 HH11 ARG A 110 5.221 -7.357 -6.508 1.00 34.41 H new ATOM 0 HH12 ARG A 110 6.804 -8.042 -6.126 1.00 34.41 H new ATOM 0 HH21 ARG A 110 5.774 -9.427 -3.035 1.00 1.10 H new ATOM 0 HH22 ARG A 110 7.114 -9.211 -4.165 1.00 1.10 H new ATOM 823 N ALA A 111 -0.729 -9.286 -1.672 1.00 22.41 N ATOM 824 CA ALA A 111 -1.416 -10.576 -1.551 1.00 10.34 C ATOM 825 C ALA A 111 -2.936 -10.362 -1.603 1.00 60.41 C ATOM 826 O ALA A 111 -3.634 -11.114 -2.270 1.00 51.42 O ATOM 827 CB ALA A 111 -1.014 -11.293 -0.253 1.00 11.53 C ATOM 0 H ALA A 111 -0.259 -8.988 -0.817 1.00 22.41 H new ATOM 0 HA ALA A 111 -1.118 -11.209 -2.387 1.00 10.34 H new ATOM 0 HB1 ALA A 111 -1.537 -12.247 -0.187 1.00 11.53 H new ATOM 0 HB2 ALA A 111 0.062 -11.468 -0.252 1.00 11.53 H new ATOM 0 HB3 ALA A 111 -1.281 -10.673 0.603 1.00 11.53 H new ATOM 833 N LEU A 112 -3.423 -9.290 -0.931 1.00 21.25 N ATOM 834 CA LEU A 112 -4.870 -8.972 -0.836 1.00 1.03 C ATOM 835 C LEU A 112 -5.450 -8.544 -2.196 1.00 4.24 C ATOM 836 O LEU A 112 -6.573 -8.937 -2.542 1.00 0.21 O ATOM 837 CB LEU A 112 -5.119 -7.869 0.232 1.00 63.15 C ATOM 838 CG LEU A 112 -4.665 -8.218 1.684 1.00 4.10 C ATOM 839 CD1 LEU A 112 -4.930 -7.045 2.645 1.00 12.42 C ATOM 840 CD2 LEU A 112 -5.321 -9.521 2.190 1.00 21.41 C ATOM 0 H LEU A 112 -2.826 -8.623 -0.441 1.00 21.25 H new ATOM 0 HA LEU A 112 -5.385 -9.882 -0.529 1.00 1.03 H new ATOM 0 HB2 LEU A 112 -4.603 -6.962 -0.082 1.00 63.15 H new ATOM 0 HB3 LEU A 112 -6.184 -7.640 0.249 1.00 63.15 H new ATOM 0 HG LEU A 112 -3.589 -8.390 1.658 1.00 4.10 H new ATOM 0 HD11 LEU A 112 -4.604 -7.316 3.649 1.00 12.42 H new ATOM 0 HD12 LEU A 112 -4.378 -6.167 2.309 1.00 12.42 H new ATOM 0 HD13 LEU A 112 -5.996 -6.819 2.658 1.00 12.42 H new ATOM 0 HD21 LEU A 112 -4.980 -9.730 3.204 1.00 21.41 H new ATOM 0 HD22 LEU A 112 -6.405 -9.407 2.188 1.00 21.41 H new ATOM 0 HD23 LEU A 112 -5.042 -10.347 1.536 1.00 21.41 H new ATOM 852 N VAL A 113 -4.668 -7.746 -2.961 1.00 25.53 N ATOM 853 CA VAL A 113 -5.048 -7.318 -4.330 1.00 65.24 C ATOM 854 C VAL A 113 -5.149 -8.548 -5.247 1.00 23.24 C ATOM 855 O VAL A 113 -6.129 -8.731 -5.977 1.00 54.04 O ATOM 856 CB VAL A 113 -4.013 -6.309 -4.975 1.00 25.41 C ATOM 857 CG1 VAL A 113 -4.571 -5.695 -6.284 1.00 22.13 C ATOM 858 CG2 VAL A 113 -3.582 -5.210 -3.983 1.00 22.30 C ATOM 0 H VAL A 113 -3.766 -7.384 -2.652 1.00 25.53 H new ATOM 0 HA VAL A 113 -6.006 -6.806 -4.238 1.00 65.24 H new ATOM 0 HB VAL A 113 -3.120 -6.882 -5.226 1.00 25.41 H new ATOM 0 HG11 VAL A 113 -3.838 -5.006 -6.704 1.00 22.13 H new ATOM 0 HG12 VAL A 113 -4.774 -6.490 -7.001 1.00 22.13 H new ATOM 0 HG13 VAL A 113 -5.494 -5.156 -6.069 1.00 22.13 H new ATOM 0 HG21 VAL A 113 -2.872 -4.540 -4.468 1.00 22.30 H new ATOM 0 HG22 VAL A 113 -4.457 -4.643 -3.666 1.00 22.30 H new ATOM 0 HG23 VAL A 113 -3.112 -5.669 -3.113 1.00 22.30 H new ATOM 868 N ARG A 114 -4.113 -9.405 -5.140 1.00 3.22 N ATOM 869 CA ARG A 114 -3.948 -10.610 -5.962 1.00 31.33 C ATOM 870 C ARG A 114 -5.070 -11.624 -5.700 1.00 10.10 C ATOM 871 O ARG A 114 -5.614 -12.209 -6.639 1.00 72.21 O ATOM 872 CB ARG A 114 -2.557 -11.229 -5.677 1.00 5.04 C ATOM 873 CG ARG A 114 -2.259 -12.535 -6.438 1.00 70.24 C ATOM 874 CD ARG A 114 -0.822 -13.028 -6.214 1.00 21.11 C ATOM 875 NE ARG A 114 -0.558 -14.315 -6.879 1.00 72.43 N ATOM 876 CZ ARG A 114 0.456 -15.137 -6.572 1.00 3.12 C ATOM 877 NH1 ARG A 114 1.334 -14.813 -5.612 1.00 2.42 N ATOM 878 NH2 ARG A 114 0.590 -16.282 -7.224 1.00 13.11 N ATOM 0 H ARG A 114 -3.358 -9.272 -4.467 1.00 3.22 H new ATOM 0 HA ARG A 114 -4.011 -10.334 -7.015 1.00 31.33 H new ATOM 0 HB2 ARG A 114 -1.791 -10.496 -5.929 1.00 5.04 H new ATOM 0 HB3 ARG A 114 -2.474 -11.422 -4.607 1.00 5.04 H new ATOM 0 HG2 ARG A 114 -2.959 -13.307 -6.118 1.00 70.24 H new ATOM 0 HG3 ARG A 114 -2.424 -12.377 -7.504 1.00 70.24 H new ATOM 0 HD2 ARG A 114 -0.122 -12.280 -6.587 1.00 21.11 H new ATOM 0 HD3 ARG A 114 -0.639 -13.131 -5.144 1.00 21.11 H new ATOM 0 HE ARG A 114 -1.191 -14.601 -7.626 1.00 72.43 H new ATOM 0 HH11 ARG A 114 1.235 -13.933 -5.106 1.00 2.42 H new ATOM 0 HH12 ARG A 114 2.101 -15.447 -5.388 1.00 2.42 H new ATOM 0 HH21 ARG A 114 -0.076 -16.534 -7.955 1.00 13.11 H new ATOM 0 HH22 ARG A 114 1.359 -16.912 -6.996 1.00 13.11 H new ATOM 1319 N THR B 75 -5.006 -3.866 -11.610 1.00 43.43 N ATOM 1320 CA THR B 75 -3.589 -4.278 -11.609 1.00 11.43 C ATOM 1321 C THR B 75 -2.663 -3.074 -11.293 1.00 0.43 C ATOM 1322 O THR B 75 -1.523 -3.274 -10.860 1.00 12.34 O ATOM 1323 CB THR B 75 -3.191 -4.924 -12.983 1.00 4.25 C ATOM 1324 OG1 THR B 75 -4.170 -5.911 -13.351 1.00 24.34 O ATOM 1325 CG2 THR B 75 -1.786 -5.570 -12.956 1.00 64.24 C ATOM 0 HA THR B 75 -3.461 -5.027 -10.827 1.00 11.43 H new ATOM 0 HB THR B 75 -3.161 -4.122 -13.721 1.00 4.25 H new ATOM 0 HG1 THR B 75 -5.056 -5.623 -13.046 1.00 24.34 H new ATOM 0 HG21 THR B 75 -1.565 -6.001 -13.933 1.00 64.24 H new ATOM 0 HG22 THR B 75 -1.041 -4.811 -12.717 1.00 64.24 H new ATOM 0 HG23 THR B 75 -1.761 -6.354 -12.200 1.00 64.24 H new ATOM 1333 N ASP B 76 -3.167 -1.828 -11.513 1.00 54.54 N ATOM 1334 CA ASP B 76 -2.487 -0.590 -11.074 1.00 24.14 C ATOM 1335 C ASP B 76 -2.154 -0.678 -9.586 1.00 64.13 C ATOM 1336 O ASP B 76 -1.005 -0.545 -9.223 1.00 63.31 O ATOM 1337 CB ASP B 76 -3.357 0.679 -11.353 1.00 54.34 C ATOM 1338 CG ASP B 76 -3.338 1.124 -12.823 1.00 71.43 C ATOM 1339 OD1 ASP B 76 -3.776 0.346 -13.689 1.00 13.43 O ATOM 1340 OD2 ASP B 76 -2.862 2.243 -13.121 1.00 51.34 O ATOM 0 H ASP B 76 -4.050 -1.661 -11.996 1.00 54.54 H new ATOM 0 HA ASP B 76 -1.566 -0.494 -11.650 1.00 24.14 H new ATOM 0 HB2 ASP B 76 -4.386 0.477 -11.056 1.00 54.34 H new ATOM 0 HB3 ASP B 76 -3.001 1.499 -10.729 1.00 54.34 H new ATOM 1345 N LEU B 77 -3.176 -0.991 -8.767 1.00 11.12 N ATOM 1346 CA LEU B 77 -3.046 -1.165 -7.308 1.00 32.01 C ATOM 1347 C LEU B 77 -2.000 -2.236 -6.963 1.00 20.32 C ATOM 1348 O LEU B 77 -1.103 -1.978 -6.165 1.00 11.22 O ATOM 1349 CB LEU B 77 -4.425 -1.544 -6.708 1.00 31.21 C ATOM 1350 CG LEU B 77 -4.476 -1.797 -5.171 1.00 2.31 C ATOM 1351 CD1 LEU B 77 -4.006 -0.570 -4.369 1.00 34.34 C ATOM 1352 CD2 LEU B 77 -5.887 -2.243 -4.749 1.00 53.01 C ATOM 0 H LEU B 77 -4.128 -1.132 -9.105 1.00 11.12 H new ATOM 0 HA LEU B 77 -2.707 -0.223 -6.876 1.00 32.01 H new ATOM 0 HB2 LEU B 77 -5.129 -0.747 -6.945 1.00 31.21 H new ATOM 0 HB3 LEU B 77 -4.780 -2.443 -7.212 1.00 31.21 H new ATOM 0 HG LEU B 77 -3.779 -2.603 -4.941 1.00 2.31 H new ATOM 0 HD11 LEU B 77 -4.058 -0.791 -3.303 1.00 34.34 H new ATOM 0 HD12 LEU B 77 -2.978 -0.330 -4.640 1.00 34.34 H new ATOM 0 HD13 LEU B 77 -4.649 0.281 -4.595 1.00 34.34 H new ATOM 0 HD21 LEU B 77 -5.907 -2.416 -3.673 1.00 53.01 H new ATOM 0 HD22 LEU B 77 -6.606 -1.465 -5.005 1.00 53.01 H new ATOM 0 HD23 LEU B 77 -6.148 -3.164 -5.270 1.00 53.01 H new ATOM 1364 N LEU B 78 -2.117 -3.408 -7.629 1.00 71.20 N ATOM 1365 CA LEU B 78 -1.205 -4.563 -7.464 1.00 64.23 C ATOM 1366 C LEU B 78 0.275 -4.142 -7.644 1.00 44.14 C ATOM 1367 O LEU B 78 1.152 -4.528 -6.853 1.00 4.30 O ATOM 1368 CB LEU B 78 -1.589 -5.651 -8.507 1.00 12.45 C ATOM 1369 CG LEU B 78 -0.843 -7.014 -8.402 1.00 22.01 C ATOM 1370 CD1 LEU B 78 -1.230 -7.772 -7.114 1.00 44.20 C ATOM 1371 CD2 LEU B 78 -1.079 -7.872 -9.661 1.00 31.34 C ATOM 0 H LEU B 78 -2.860 -3.580 -8.307 1.00 71.20 H new ATOM 0 HA LEU B 78 -1.309 -4.959 -6.454 1.00 64.23 H new ATOM 0 HB2 LEU B 78 -2.659 -5.841 -8.422 1.00 12.45 H new ATOM 0 HB3 LEU B 78 -1.416 -5.244 -9.503 1.00 12.45 H new ATOM 0 HG LEU B 78 0.225 -6.806 -8.342 1.00 22.01 H new ATOM 0 HD11 LEU B 78 -0.691 -8.719 -7.073 1.00 44.20 H new ATOM 0 HD12 LEU B 78 -0.970 -7.168 -6.244 1.00 44.20 H new ATOM 0 HD13 LEU B 78 -2.303 -7.965 -7.114 1.00 44.20 H new ATOM 0 HD21 LEU B 78 -0.547 -8.818 -9.562 1.00 31.34 H new ATOM 0 HD22 LEU B 78 -2.146 -8.066 -9.775 1.00 31.34 H new ATOM 0 HD23 LEU B 78 -0.711 -7.340 -10.538 1.00 31.34 H new ATOM 1383 N SER B 79 0.510 -3.310 -8.679 1.00 75.31 N ATOM 1384 CA SER B 79 1.830 -2.758 -9.001 1.00 4.14 C ATOM 1385 C SER B 79 2.250 -1.679 -7.976 1.00 33.04 C ATOM 1386 O SER B 79 3.354 -1.735 -7.459 1.00 72.24 O ATOM 1387 CB SER B 79 1.815 -2.168 -10.429 1.00 51.20 C ATOM 1388 OG SER B 79 1.363 -3.127 -11.378 1.00 53.32 O ATOM 0 H SER B 79 -0.223 -3.003 -9.318 1.00 75.31 H new ATOM 0 HA SER B 79 2.562 -3.564 -8.953 1.00 4.14 H new ATOM 0 HB2 SER B 79 1.167 -1.292 -10.456 1.00 51.20 H new ATOM 0 HB3 SER B 79 2.817 -1.832 -10.697 1.00 51.20 H new ATOM 0 HG SER B 79 0.395 -3.250 -11.283 1.00 53.32 H new ATOM 1394 N VAL B 80 1.325 -0.743 -7.647 1.00 73.42 N ATOM 1395 CA VAL B 80 1.587 0.415 -6.756 1.00 24.35 C ATOM 1396 C VAL B 80 2.139 -0.048 -5.402 1.00 4.41 C ATOM 1397 O VAL B 80 3.066 0.572 -4.871 1.00 73.44 O ATOM 1398 CB VAL B 80 0.287 1.311 -6.555 1.00 12.33 C ATOM 1399 CG1 VAL B 80 0.423 2.321 -5.386 1.00 12.52 C ATOM 1400 CG2 VAL B 80 -0.063 2.059 -7.863 1.00 44.25 C ATOM 0 H VAL B 80 0.367 -0.771 -7.996 1.00 73.42 H new ATOM 0 HA VAL B 80 2.341 1.033 -7.243 1.00 24.35 H new ATOM 0 HB VAL B 80 -0.522 0.629 -6.295 1.00 12.33 H new ATOM 0 HG11 VAL B 80 -0.495 2.903 -5.299 1.00 12.52 H new ATOM 0 HG12 VAL B 80 0.599 1.780 -4.456 1.00 12.52 H new ATOM 0 HG13 VAL B 80 1.260 2.991 -5.580 1.00 12.52 H new ATOM 0 HG21 VAL B 80 -0.954 2.667 -7.707 1.00 44.25 H new ATOM 0 HG22 VAL B 80 0.769 2.702 -8.148 1.00 44.25 H new ATOM 0 HG23 VAL B 80 -0.251 1.336 -8.657 1.00 44.25 H new ATOM 1410 N ILE B 81 1.591 -1.166 -4.897 1.00 60.33 N ATOM 1411 CA ILE B 81 2.059 -1.802 -3.662 1.00 33.53 C ATOM 1412 C ILE B 81 3.580 -2.092 -3.715 1.00 24.40 C ATOM 1413 O ILE B 81 4.345 -1.580 -2.896 1.00 41.34 O ATOM 1414 CB ILE B 81 1.267 -3.126 -3.354 1.00 54.42 C ATOM 1415 CG1 ILE B 81 -0.280 -2.889 -3.291 1.00 71.22 C ATOM 1416 CG2 ILE B 81 1.773 -3.753 -2.049 1.00 54.34 C ATOM 1417 CD1 ILE B 81 -0.747 -1.842 -2.291 1.00 23.42 C ATOM 0 H ILE B 81 0.810 -1.652 -5.337 1.00 60.33 H new ATOM 0 HA ILE B 81 1.870 -1.096 -2.854 1.00 33.53 H new ATOM 0 HB ILE B 81 1.450 -3.817 -4.177 1.00 54.42 H new ATOM 0 HG12 ILE B 81 -0.625 -2.597 -4.283 1.00 71.22 H new ATOM 0 HG13 ILE B 81 -0.765 -3.835 -3.051 1.00 71.22 H new ATOM 0 HG21 ILE B 81 1.218 -4.669 -1.846 1.00 54.34 H new ATOM 0 HG22 ILE B 81 2.834 -3.985 -2.144 1.00 54.34 H new ATOM 0 HG23 ILE B 81 1.628 -3.051 -1.228 1.00 54.34 H new ATOM 0 HD11 ILE B 81 -1.833 -1.759 -2.331 1.00 23.42 H new ATOM 0 HD12 ILE B 81 -0.442 -2.137 -1.287 1.00 23.42 H new ATOM 0 HD13 ILE B 81 -0.301 -0.879 -2.538 1.00 23.42 H new ATOM 1429 N GLU B 82 4.008 -2.870 -4.729 1.00 4.12 N ATOM 1430 CA GLU B 82 5.417 -3.303 -4.853 1.00 24.13 C ATOM 1431 C GLU B 82 6.343 -2.151 -5.301 1.00 14.41 C ATOM 1432 O GLU B 82 7.554 -2.184 -5.032 1.00 61.23 O ATOM 1433 CB GLU B 82 5.534 -4.521 -5.799 1.00 75.35 C ATOM 1434 CG GLU B 82 5.067 -4.283 -7.248 1.00 71.41 C ATOM 1435 CD GLU B 82 5.286 -5.509 -8.141 1.00 63.31 C ATOM 1436 OE1 GLU B 82 4.444 -6.425 -8.120 1.00 62.13 O ATOM 1437 OE2 GLU B 82 6.319 -5.577 -8.844 1.00 73.33 O ATOM 0 H GLU B 82 3.400 -3.212 -5.474 1.00 4.12 H new ATOM 0 HA GLU B 82 5.753 -3.607 -3.862 1.00 24.13 H new ATOM 0 HB2 GLU B 82 6.575 -4.844 -5.820 1.00 75.35 H new ATOM 0 HB3 GLU B 82 4.953 -5.342 -5.379 1.00 75.35 H new ATOM 0 HG2 GLU B 82 4.009 -4.022 -7.248 1.00 71.41 H new ATOM 0 HG3 GLU B 82 5.605 -3.432 -7.665 1.00 71.41 H new ATOM 1444 N GLU B 83 5.763 -1.130 -5.956 1.00 41.44 N ATOM 1445 CA GLU B 83 6.493 0.094 -6.325 1.00 52.43 C ATOM 1446 C GLU B 83 6.836 0.910 -5.068 1.00 32.34 C ATOM 1447 O GLU B 83 7.892 1.532 -4.994 1.00 53.24 O ATOM 1448 CB GLU B 83 5.683 0.963 -7.319 1.00 15.55 C ATOM 1449 CG GLU B 83 5.392 0.296 -8.676 1.00 63.21 C ATOM 1450 CD GLU B 83 6.659 -0.140 -9.432 1.00 41.22 C ATOM 1451 OE1 GLU B 83 7.355 0.741 -9.979 1.00 0.43 O ATOM 1452 OE2 GLU B 83 6.954 -1.357 -9.491 1.00 45.11 O ATOM 0 H GLU B 83 4.784 -1.130 -6.242 1.00 41.44 H new ATOM 0 HA GLU B 83 7.416 -0.208 -6.820 1.00 52.43 H new ATOM 0 HB2 GLU B 83 4.735 1.234 -6.853 1.00 15.55 H new ATOM 0 HB3 GLU B 83 6.228 1.890 -7.496 1.00 15.55 H new ATOM 0 HG2 GLU B 83 4.757 -0.575 -8.514 1.00 63.21 H new ATOM 0 HG3 GLU B 83 4.828 0.990 -9.299 1.00 63.21 H new ATOM 1459 N MET B 84 5.932 0.886 -4.086 1.00 41.02 N ATOM 1460 CA MET B 84 6.158 1.496 -2.774 1.00 60.11 C ATOM 1461 C MET B 84 7.148 0.650 -1.950 1.00 32.31 C ATOM 1462 O MET B 84 7.965 1.198 -1.214 1.00 12.12 O ATOM 1463 CB MET B 84 4.810 1.645 -2.015 1.00 1.24 C ATOM 1464 CG MET B 84 3.860 2.685 -2.622 1.00 1.04 C ATOM 1465 SD MET B 84 2.360 2.917 -1.641 1.00 42.14 S ATOM 1466 CE MET B 84 1.628 1.282 -1.620 1.00 72.32 C ATOM 0 H MET B 84 5.019 0.441 -4.179 1.00 41.02 H new ATOM 0 HA MET B 84 6.590 2.486 -2.919 1.00 60.11 H new ATOM 0 HB2 MET B 84 4.308 0.678 -1.996 1.00 1.24 H new ATOM 0 HB3 MET B 84 5.017 1.918 -0.980 1.00 1.24 H new ATOM 0 HG2 MET B 84 4.381 3.638 -2.712 1.00 1.04 H new ATOM 0 HG3 MET B 84 3.585 2.375 -3.630 1.00 1.04 H new ATOM 0 HE1 MET B 84 0.651 1.327 -1.138 1.00 72.32 H new ATOM 0 HE2 MET B 84 1.512 0.922 -2.642 1.00 72.32 H new ATOM 0 HE3 MET B 84 2.275 0.601 -1.067 1.00 72.32 H new ATOM 1476 N GLY B 85 7.079 -0.684 -2.139 1.00 30.53 N ATOM 1477 CA GLY B 85 7.890 -1.645 -1.391 1.00 15.54 C ATOM 1478 C GLY B 85 9.396 -1.438 -1.508 1.00 51.12 C ATOM 1479 O GLY B 85 10.130 -1.607 -0.525 1.00 51.41 O ATOM 0 H GLY B 85 6.455 -1.118 -2.819 1.00 30.53 H new ATOM 0 HA2 GLY B 85 7.611 -1.593 -0.339 1.00 15.54 H new ATOM 0 HA3 GLY B 85 7.648 -2.650 -1.736 1.00 15.54 H new ATOM 1483 N LYS B 86 9.854 -1.031 -2.704 1.00 15.21 N ATOM 1484 CA LYS B 86 11.278 -0.720 -2.956 1.00 1.21 C ATOM 1485 C LYS B 86 11.666 0.654 -2.363 1.00 61.40 C ATOM 1486 O LYS B 86 12.803 0.851 -1.927 1.00 33.33 O ATOM 1487 CB LYS B 86 11.572 -0.742 -4.482 1.00 1.41 C ATOM 1488 CG LYS B 86 10.649 0.169 -5.321 1.00 61.24 C ATOM 1489 CD LYS B 86 11.026 0.233 -6.818 1.00 52.11 C ATOM 1490 CE LYS B 86 9.996 1.015 -7.655 1.00 51.34 C ATOM 1491 NZ LYS B 86 9.799 2.412 -7.173 1.00 4.03 N ATOM 0 H LYS B 86 9.255 -0.908 -3.520 1.00 15.21 H new ATOM 0 HA LYS B 86 11.879 -1.484 -2.464 1.00 1.21 H new ATOM 0 HB2 LYS B 86 12.607 -0.440 -4.645 1.00 1.41 H new ATOM 0 HB3 LYS B 86 11.478 -1.766 -4.843 1.00 1.41 H new ATOM 0 HG2 LYS B 86 9.623 -0.187 -5.230 1.00 61.24 H new ATOM 0 HG3 LYS B 86 10.675 1.177 -4.906 1.00 61.24 H new ATOM 0 HD2 LYS B 86 12.005 0.701 -6.923 1.00 52.11 H new ATOM 0 HD3 LYS B 86 11.114 -0.780 -7.210 1.00 52.11 H new ATOM 0 HE2 LYS B 86 10.322 1.037 -8.695 1.00 51.34 H new ATOM 0 HE3 LYS B 86 9.041 0.489 -7.631 1.00 51.34 H new ATOM 0 HZ1 LYS B 86 9.493 3.013 -7.965 1.00 4.03 H new ATOM 0 HZ2 LYS B 86 9.072 2.423 -6.429 1.00 4.03 H new ATOM 0 HZ3 LYS B 86 10.694 2.776 -6.788 1.00 4.03 H new ATOM 1505 N GLU B 87 10.688 1.581 -2.315 1.00 70.01 N ATOM 1506 CA GLU B 87 10.909 2.988 -1.906 1.00 70.52 C ATOM 1507 C GLU B 87 10.886 3.169 -0.382 1.00 33.52 C ATOM 1508 O GLU B 87 11.140 4.268 0.108 1.00 64.14 O ATOM 1509 CB GLU B 87 9.881 3.913 -2.604 1.00 55.13 C ATOM 1510 CG GLU B 87 10.062 3.948 -4.135 1.00 51.41 C ATOM 1511 CD GLU B 87 9.044 4.844 -4.846 1.00 15.11 C ATOM 1512 OE1 GLU B 87 9.087 6.072 -4.638 1.00 24.41 O ATOM 1513 OE2 GLU B 87 8.230 4.331 -5.646 1.00 11.23 O ATOM 0 H GLU B 87 9.719 1.377 -2.559 1.00 70.01 H new ATOM 0 HA GLU B 87 11.911 3.272 -2.228 1.00 70.52 H new ATOM 0 HB2 GLU B 87 8.873 3.573 -2.368 1.00 55.13 H new ATOM 0 HB3 GLU B 87 9.978 4.923 -2.207 1.00 55.13 H new ATOM 0 HG2 GLU B 87 11.068 4.298 -4.367 1.00 51.41 H new ATOM 0 HG3 GLU B 87 9.979 2.934 -4.527 1.00 51.41 H new ATOM 1520 N ILE B 88 10.619 2.078 0.350 1.00 64.22 N ATOM 1521 CA ILE B 88 10.732 2.045 1.819 1.00 50.14 C ATOM 1522 C ILE B 88 12.215 2.192 2.236 1.00 54.52 C ATOM 1523 O ILE B 88 12.522 2.805 3.266 1.00 1.41 O ATOM 1524 CB ILE B 88 10.124 0.701 2.376 1.00 53.10 C ATOM 1525 CG1 ILE B 88 8.638 0.567 1.920 1.00 0.23 C ATOM 1526 CG2 ILE B 88 10.259 0.597 3.917 1.00 30.51 C ATOM 1527 CD1 ILE B 88 7.998 -0.767 2.253 1.00 71.14 C ATOM 0 H ILE B 88 10.318 1.193 -0.058 1.00 64.22 H new ATOM 0 HA ILE B 88 10.170 2.877 2.243 1.00 50.14 H new ATOM 0 HB ILE B 88 10.694 -0.130 1.962 1.00 53.10 H new ATOM 0 HG12 ILE B 88 8.055 1.362 2.385 1.00 0.23 H new ATOM 0 HG13 ILE B 88 8.586 0.722 0.842 1.00 0.23 H new ATOM 0 HG21 ILE B 88 9.827 -0.344 4.257 1.00 30.51 H new ATOM 0 HG22 ILE B 88 11.313 0.634 4.193 1.00 30.51 H new ATOM 0 HG23 ILE B 88 9.732 1.428 4.385 1.00 30.51 H new ATOM 0 HD11 ILE B 88 6.967 -0.774 1.901 1.00 71.14 H new ATOM 0 HD12 ILE B 88 8.553 -1.569 1.766 1.00 71.14 H new ATOM 0 HD13 ILE B 88 8.014 -0.919 3.332 1.00 71.14 H new ATOM 1539 N ARG B 89 13.123 1.640 1.400 1.00 3.03 N ATOM 1540 CA ARG B 89 14.575 1.676 1.648 1.00 51.24 C ATOM 1541 C ARG B 89 15.135 3.135 1.585 1.00 73.21 C ATOM 1542 O ARG B 89 15.680 3.590 2.600 1.00 31.34 O ATOM 1543 CB ARG B 89 15.326 0.691 0.704 1.00 20.52 C ATOM 1544 CG ARG B 89 16.874 0.731 0.813 1.00 54.40 C ATOM 1545 CD ARG B 89 17.560 -0.275 -0.128 1.00 13.14 C ATOM 1546 NE ARG B 89 19.034 -0.162 -0.124 1.00 1.24 N ATOM 1547 CZ ARG B 89 19.845 -0.569 -1.122 1.00 44.42 C ATOM 1548 NH1 ARG B 89 19.348 -1.137 -2.226 1.00 20.14 N ATOM 1549 NH2 ARG B 89 21.158 -0.408 -1.019 1.00 71.11 N ATOM 0 H ARG B 89 12.867 1.159 0.538 1.00 3.03 H new ATOM 0 HA ARG B 89 14.756 1.331 2.666 1.00 51.24 H new ATOM 0 HB2 ARG B 89 14.988 -0.323 0.918 1.00 20.52 H new ATOM 0 HB3 ARG B 89 15.043 0.911 -0.325 1.00 20.52 H new ATOM 0 HG2 ARG B 89 17.225 1.737 0.582 1.00 54.40 H new ATOM 0 HG3 ARG B 89 17.168 0.520 1.841 1.00 54.40 H new ATOM 0 HD2 ARG B 89 17.279 -1.287 0.164 1.00 13.14 H new ATOM 0 HD3 ARG B 89 17.193 -0.123 -1.143 1.00 13.14 H new ATOM 0 HE ARG B 89 19.472 0.256 0.697 1.00 1.24 H new ATOM 0 HH11 ARG B 89 18.341 -1.268 -2.323 1.00 20.14 H new ATOM 0 HH12 ARG B 89 19.976 -1.439 -2.971 1.00 20.14 H new ATOM 0 HH21 ARG B 89 21.555 0.024 -0.185 1.00 71.11 H new ATOM 0 HH22 ARG B 89 21.770 -0.716 -1.774 1.00 71.11 H new ATOM 1563 N PRO B 90 15.012 3.916 0.439 1.00 43.22 N ATOM 1564 CA PRO B 90 15.490 5.326 0.396 1.00 22.14 C ATOM 1565 C PRO B 90 14.801 6.226 1.462 1.00 34.41 C ATOM 1566 O PRO B 90 15.466 7.073 2.062 1.00 63.32 O ATOM 1567 CB PRO B 90 15.205 5.795 -1.059 1.00 73.53 C ATOM 1568 CG PRO B 90 14.221 4.808 -1.613 1.00 33.21 C ATOM 1569 CD PRO B 90 14.480 3.505 -0.890 1.00 72.11 C ATOM 0 HA PRO B 90 16.549 5.401 0.644 1.00 22.14 H new ATOM 0 HB2 PRO B 90 14.797 6.806 -1.073 1.00 73.53 H new ATOM 0 HB3 PRO B 90 16.119 5.812 -1.652 1.00 73.53 H new ATOM 0 HG2 PRO B 90 13.197 5.146 -1.452 1.00 33.21 H new ATOM 0 HG3 PRO B 90 14.352 4.689 -2.689 1.00 33.21 H new ATOM 0 HD2 PRO B 90 13.566 2.919 -0.788 1.00 72.11 H new ATOM 0 HD3 PRO B 90 15.197 2.887 -1.431 1.00 72.11 H new ATOM 1577 N THR B 91 13.489 6.001 1.706 1.00 44.33 N ATOM 1578 CA THR B 91 12.717 6.703 2.773 1.00 40.41 C ATOM 1579 C THR B 91 13.387 6.545 4.157 1.00 61.14 C ATOM 1580 O THR B 91 13.636 7.530 4.865 1.00 25.11 O ATOM 1581 CB THR B 91 11.248 6.172 2.832 1.00 61.35 C ATOM 1582 OG1 THR B 91 10.580 6.528 1.620 1.00 32.04 O ATOM 1583 CG2 THR B 91 10.450 6.723 4.039 1.00 53.45 C ATOM 0 H THR B 91 12.932 5.332 1.174 1.00 44.33 H new ATOM 0 HA THR B 91 12.704 7.763 2.520 1.00 40.41 H new ATOM 0 HB THR B 91 11.297 5.090 2.954 1.00 61.35 H new ATOM 0 HG1 THR B 91 10.690 5.809 0.963 1.00 32.04 H new ATOM 0 HG21 THR B 91 9.439 6.317 4.023 1.00 53.45 H new ATOM 0 HG22 THR B 91 10.944 6.430 4.966 1.00 53.45 H new ATOM 0 HG23 THR B 91 10.405 7.810 3.980 1.00 53.45 H new ATOM 1591 N TYR B 92 13.692 5.283 4.499 1.00 4.50 N ATOM 1592 CA TYR B 92 14.359 4.925 5.755 1.00 44.44 C ATOM 1593 C TYR B 92 15.822 5.430 5.776 1.00 14.44 C ATOM 1594 O TYR B 92 16.401 5.614 6.844 1.00 52.24 O ATOM 1595 CB TYR B 92 14.304 3.385 5.950 1.00 3.50 C ATOM 1596 CG TYR B 92 14.839 2.920 7.308 1.00 34.11 C ATOM 1597 CD1 TYR B 92 14.080 3.083 8.466 1.00 31.55 C ATOM 1598 CD2 TYR B 92 16.101 2.326 7.439 1.00 52.41 C ATOM 1599 CE1 TYR B 92 14.556 2.689 9.693 1.00 45.52 C ATOM 1600 CE2 TYR B 92 16.581 1.933 8.673 1.00 61.24 C ATOM 1601 CZ TYR B 92 15.799 2.112 9.792 1.00 13.41 C ATOM 1602 OH TYR B 92 16.279 1.730 11.023 1.00 43.33 O ATOM 0 H TYR B 92 13.480 4.480 3.907 1.00 4.50 H new ATOM 0 HA TYR B 92 13.836 5.409 6.580 1.00 44.44 H new ATOM 0 HB2 TYR B 92 13.273 3.050 5.841 1.00 3.50 H new ATOM 0 HB3 TYR B 92 14.880 2.906 5.158 1.00 3.50 H new ATOM 0 HD1 TYR B 92 13.098 3.528 8.397 1.00 31.55 H new ATOM 0 HD2 TYR B 92 16.709 2.173 6.560 1.00 52.41 H new ATOM 0 HE1 TYR B 92 13.954 2.833 10.578 1.00 45.52 H new ATOM 0 HE2 TYR B 92 17.562 1.489 8.759 1.00 61.24 H new ATOM 0 HH TYR B 92 15.947 2.346 11.709 1.00 43.33 H new ATOM 1612 N ALA B 93 16.399 5.665 4.586 1.00 63.31 N ATOM 1613 CA ALA B 93 17.778 6.173 4.438 1.00 34.42 C ATOM 1614 C ALA B 93 17.830 7.713 4.504 1.00 1.43 C ATOM 1615 O ALA B 93 18.888 8.308 4.311 1.00 40.40 O ATOM 1616 CB ALA B 93 18.378 5.651 3.120 1.00 74.01 C ATOM 0 H ALA B 93 15.924 5.509 3.697 1.00 63.31 H new ATOM 0 HA ALA B 93 18.375 5.804 5.272 1.00 34.42 H new ATOM 0 HB1 ALA B 93 19.396 6.026 3.010 1.00 74.01 H new ATOM 0 HB2 ALA B 93 18.392 4.561 3.133 1.00 74.01 H new ATOM 0 HB3 ALA B 93 17.772 5.996 2.282 1.00 74.01 H new ATOM 1622 N GLY B 94 16.679 8.354 4.780 1.00 15.52 N ATOM 1623 CA GLY B 94 16.620 9.804 4.992 1.00 10.10 C ATOM 1624 C GLY B 94 16.159 10.585 3.776 1.00 35.30 C ATOM 1625 O GLY B 94 16.050 11.813 3.856 1.00 11.11 O ATOM 0 H GLY B 94 15.777 7.885 4.861 1.00 15.52 H new ATOM 0 HA2 GLY B 94 15.946 10.013 5.823 1.00 10.10 H new ATOM 0 HA3 GLY B 94 17.608 10.159 5.286 1.00 10.10 H new ATOM 1629 N SER B 95 15.912 9.891 2.647 1.00 25.52 N ATOM 1630 CA SER B 95 15.371 10.521 1.434 1.00 30.34 C ATOM 1631 C SER B 95 13.887 10.907 1.620 1.00 70.32 C ATOM 1632 O SER B 95 12.993 10.056 1.496 1.00 32.30 O ATOM 1633 CB SER B 95 15.535 9.582 0.221 1.00 12.25 C ATOM 1634 OG SER B 95 16.872 9.140 0.086 1.00 63.23 O ATOM 0 H SER B 95 16.081 8.889 2.554 1.00 25.52 H new ATOM 0 HA SER B 95 15.936 11.435 1.249 1.00 30.34 H new ATOM 0 HB2 SER B 95 14.876 8.721 0.334 1.00 12.25 H new ATOM 0 HB3 SER B 95 15.229 10.102 -0.687 1.00 12.25 H new ATOM 0 HG SER B 95 16.943 8.546 -0.690 1.00 63.23 H new ATOM 1640 N LYS B 96 13.658 12.197 1.949 1.00 24.33 N ATOM 1641 CA LYS B 96 12.303 12.788 2.087 1.00 33.24 C ATOM 1642 C LYS B 96 11.544 12.777 0.740 1.00 52.10 C ATOM 1643 O LYS B 96 10.315 12.831 0.722 1.00 71.54 O ATOM 1644 CB LYS B 96 12.388 14.242 2.685 1.00 43.23 C ATOM 1645 CG LYS B 96 12.711 15.398 1.690 1.00 20.31 C ATOM 1646 CD LYS B 96 14.039 15.211 0.928 1.00 43.31 C ATOM 1647 CE LYS B 96 14.237 16.242 -0.193 1.00 10.00 C ATOM 1648 NZ LYS B 96 15.389 15.873 -1.055 1.00 61.20 N ATOM 0 H LYS B 96 14.409 12.863 2.128 1.00 24.33 H new ATOM 0 HA LYS B 96 11.736 12.170 2.783 1.00 33.24 H new ATOM 0 HB2 LYS B 96 11.437 14.466 3.168 1.00 43.23 H new ATOM 0 HB3 LYS B 96 13.149 14.244 3.465 1.00 43.23 H new ATOM 0 HG2 LYS B 96 11.898 15.482 0.969 1.00 20.31 H new ATOM 0 HG3 LYS B 96 12.748 16.338 2.240 1.00 20.31 H new ATOM 0 HD2 LYS B 96 14.869 15.283 1.631 1.00 43.31 H new ATOM 0 HD3 LYS B 96 14.069 14.208 0.502 1.00 43.31 H new ATOM 0 HE2 LYS B 96 13.332 16.307 -0.797 1.00 10.00 H new ATOM 0 HE3 LYS B 96 14.403 17.229 0.240 1.00 10.00 H new ATOM 0 HZ1 LYS B 96 15.728 16.716 -1.561 1.00 61.20 H new ATOM 0 HZ2 LYS B 96 16.156 15.491 -0.465 1.00 61.20 H new ATOM 0 HZ3 LYS B 96 15.091 15.153 -1.744 1.00 61.20 H new ATOM 1662 N SER B 97 12.315 12.727 -0.366 1.00 31.44 N ATOM 1663 CA SER B 97 11.782 12.653 -1.724 1.00 51.44 C ATOM 1664 C SER B 97 11.048 11.319 -1.955 1.00 53.21 C ATOM 1665 O SER B 97 9.935 11.291 -2.490 1.00 31.32 O ATOM 1666 CB SER B 97 12.934 12.811 -2.743 1.00 72.33 C ATOM 1667 OG SER B 97 13.639 14.024 -2.533 1.00 61.11 O ATOM 0 H SER B 97 13.334 12.737 -0.331 1.00 31.44 H new ATOM 0 HA SER B 97 11.064 13.462 -1.861 1.00 51.44 H new ATOM 0 HB2 SER B 97 13.620 11.968 -2.655 1.00 72.33 H new ATOM 0 HB3 SER B 97 12.533 12.791 -3.756 1.00 72.33 H new ATOM 0 HG SER B 97 14.343 14.114 -3.209 1.00 61.11 H new ATOM 1673 N ALA B 98 11.697 10.217 -1.523 1.00 51.11 N ATOM 1674 CA ALA B 98 11.129 8.868 -1.570 1.00 11.44 C ATOM 1675 C ALA B 98 9.928 8.752 -0.626 1.00 72.44 C ATOM 1676 O ALA B 98 8.933 8.135 -0.982 1.00 50.43 O ATOM 1677 CB ALA B 98 12.191 7.832 -1.212 1.00 62.31 C ATOM 0 H ALA B 98 12.638 10.247 -1.130 1.00 51.11 H new ATOM 0 HA ALA B 98 10.784 8.676 -2.586 1.00 11.44 H new ATOM 0 HB1 ALA B 98 11.754 6.834 -1.251 1.00 62.31 H new ATOM 0 HB2 ALA B 98 13.015 7.895 -1.923 1.00 62.31 H new ATOM 0 HB3 ALA B 98 12.564 8.026 -0.206 1.00 62.31 H new ATOM 1683 N MET B 99 10.048 9.366 0.581 1.00 4.24 N ATOM 1684 CA MET B 99 8.957 9.420 1.583 1.00 30.43 C ATOM 1685 C MET B 99 7.714 10.128 1.014 1.00 75.31 C ATOM 1686 O MET B 99 6.587 9.716 1.270 1.00 2.15 O ATOM 1687 CB MET B 99 9.427 10.153 2.876 1.00 20.30 C ATOM 1688 CG MET B 99 8.333 10.287 3.958 1.00 71.42 C ATOM 1689 SD MET B 99 8.769 11.391 5.312 1.00 54.22 S ATOM 1690 CE MET B 99 9.117 12.911 4.432 1.00 13.32 C ATOM 0 H MET B 99 10.902 9.835 0.883 1.00 4.24 H new ATOM 0 HA MET B 99 8.692 8.392 1.832 1.00 30.43 H new ATOM 0 HB2 MET B 99 10.276 9.615 3.298 1.00 20.30 H new ATOM 0 HB3 MET B 99 9.782 11.148 2.608 1.00 20.30 H new ATOM 0 HG2 MET B 99 7.417 10.647 3.490 1.00 71.42 H new ATOM 0 HG3 MET B 99 8.116 9.299 4.364 1.00 71.42 H new ATOM 0 HE1 MET B 99 8.718 13.756 4.993 1.00 13.32 H new ATOM 0 HE2 MET B 99 10.195 13.027 4.319 1.00 13.32 H new ATOM 0 HE3 MET B 99 8.650 12.877 3.448 1.00 13.32 H new ATOM 1700 N GLU B 100 7.958 11.191 0.235 1.00 25.54 N ATOM 1701 CA GLU B 100 6.913 11.996 -0.424 1.00 12.30 C ATOM 1702 C GLU B 100 6.111 11.122 -1.410 1.00 42.51 C ATOM 1703 O GLU B 100 4.878 11.110 -1.387 1.00 72.21 O ATOM 1704 CB GLU B 100 7.580 13.195 -1.156 1.00 73.51 C ATOM 1705 CG GLU B 100 6.602 14.162 -1.840 1.00 23.22 C ATOM 1706 CD GLU B 100 7.317 15.336 -2.518 1.00 32.01 C ATOM 1707 OE1 GLU B 100 7.702 15.206 -3.693 1.00 43.22 O ATOM 1708 OE2 GLU B 100 7.514 16.382 -1.868 1.00 30.23 O ATOM 0 H GLU B 100 8.902 11.524 0.040 1.00 25.54 H new ATOM 0 HA GLU B 100 6.218 12.380 0.322 1.00 12.30 H new ATOM 0 HB2 GLU B 100 8.177 13.755 -0.436 1.00 73.51 H new ATOM 0 HB3 GLU B 100 8.268 12.806 -1.907 1.00 73.51 H new ATOM 0 HG2 GLU B 100 6.018 13.618 -2.583 1.00 23.22 H new ATOM 0 HG3 GLU B 100 5.899 14.546 -1.101 1.00 23.22 H new ATOM 1715 N ARG B 101 6.859 10.338 -2.201 1.00 10.30 N ATOM 1716 CA ARG B 101 6.305 9.429 -3.223 1.00 73.23 C ATOM 1717 C ARG B 101 5.638 8.204 -2.573 1.00 41.14 C ATOM 1718 O ARG B 101 4.684 7.644 -3.114 1.00 44.03 O ATOM 1719 CB ARG B 101 7.437 8.962 -4.162 1.00 45.51 C ATOM 1720 CG ARG B 101 8.168 10.098 -4.915 1.00 25.45 C ATOM 1721 CD ARG B 101 9.419 9.595 -5.653 1.00 25.43 C ATOM 1722 NE ARG B 101 10.151 10.690 -6.313 1.00 64.43 N ATOM 1723 CZ ARG B 101 11.478 10.896 -6.237 1.00 42.11 C ATOM 1724 NH1 ARG B 101 12.257 10.094 -5.513 1.00 22.24 N ATOM 1725 NH2 ARG B 101 12.030 11.897 -6.910 1.00 23.43 N ATOM 0 H ARG B 101 7.877 10.315 -2.151 1.00 10.30 H new ATOM 0 HA ARG B 101 5.548 9.970 -3.791 1.00 73.23 H new ATOM 0 HB2 ARG B 101 8.168 8.404 -3.577 1.00 45.51 H new ATOM 0 HB3 ARG B 101 7.020 8.270 -4.894 1.00 45.51 H new ATOM 0 HG2 ARG B 101 7.485 10.555 -5.631 1.00 25.45 H new ATOM 0 HG3 ARG B 101 8.454 10.876 -4.207 1.00 25.45 H new ATOM 0 HD2 ARG B 101 10.079 9.093 -4.946 1.00 25.43 H new ATOM 0 HD3 ARG B 101 9.127 8.854 -6.397 1.00 25.43 H new ATOM 0 HE ARG B 101 9.607 11.346 -6.874 1.00 64.43 H new ATOM 0 HH11 ARG B 101 11.849 9.309 -5.005 1.00 22.24 H new ATOM 0 HH12 ARG B 101 13.262 10.265 -5.466 1.00 22.24 H new ATOM 0 HH21 ARG B 101 11.448 12.508 -7.483 1.00 23.43 H new ATOM 0 HH22 ARG B 101 13.036 12.056 -6.854 1.00 23.43 H new ATOM 1739 N LEU B 102 6.162 7.813 -1.403 1.00 24.32 N ATOM 1740 CA LEU B 102 5.708 6.638 -0.643 1.00 54.54 C ATOM 1741 C LEU B 102 4.338 6.925 0.002 1.00 55.14 C ATOM 1742 O LEU B 102 3.411 6.118 -0.113 1.00 64.45 O ATOM 1743 CB LEU B 102 6.794 6.281 0.422 1.00 33.24 C ATOM 1744 CG LEU B 102 6.614 4.955 1.225 1.00 40.25 C ATOM 1745 CD1 LEU B 102 6.433 3.747 0.303 1.00 34.53 C ATOM 1746 CD2 LEU B 102 7.800 4.733 2.177 1.00 3.03 C ATOM 0 H LEU B 102 6.927 8.313 -0.949 1.00 24.32 H new ATOM 0 HA LEU B 102 5.578 5.781 -1.304 1.00 54.54 H new ATOM 0 HB2 LEU B 102 7.759 6.238 -0.084 1.00 33.24 H new ATOM 0 HB3 LEU B 102 6.845 7.102 1.137 1.00 33.24 H new ATOM 0 HG LEU B 102 5.703 5.055 1.815 1.00 40.25 H new ATOM 0 HD11 LEU B 102 6.311 2.846 0.904 1.00 34.53 H new ATOM 0 HD12 LEU B 102 5.548 3.892 -0.317 1.00 34.53 H new ATOM 0 HD13 LEU B 102 7.310 3.642 -0.335 1.00 34.53 H new ATOM 0 HD21 LEU B 102 7.656 3.803 2.728 1.00 3.03 H new ATOM 0 HD22 LEU B 102 8.723 4.674 1.600 1.00 3.03 H new ATOM 0 HD23 LEU B 102 7.864 5.564 2.879 1.00 3.03 H new ATOM 1758 N LYS B 103 4.221 8.103 0.655 1.00 41.13 N ATOM 1759 CA LYS B 103 2.954 8.589 1.242 1.00 54.24 C ATOM 1760 C LYS B 103 1.911 8.867 0.152 1.00 12.03 C ATOM 1761 O LYS B 103 0.725 8.591 0.341 1.00 11.24 O ATOM 1762 CB LYS B 103 3.189 9.877 2.070 1.00 75.22 C ATOM 1763 CG LYS B 103 4.079 9.701 3.317 1.00 11.33 C ATOM 1764 CD LYS B 103 4.307 11.032 4.070 1.00 11.35 C ATOM 1765 CE LYS B 103 5.008 12.100 3.203 1.00 30.22 C ATOM 1766 NZ LYS B 103 5.163 13.396 3.927 1.00 41.43 N ATOM 0 H LYS B 103 5.004 8.743 0.789 1.00 41.13 H new ATOM 0 HA LYS B 103 2.577 7.805 1.899 1.00 54.24 H new ATOM 0 HB2 LYS B 103 3.642 10.628 1.423 1.00 75.22 H new ATOM 0 HB3 LYS B 103 2.222 10.269 2.385 1.00 75.22 H new ATOM 0 HG2 LYS B 103 3.617 8.980 3.991 1.00 11.33 H new ATOM 0 HG3 LYS B 103 5.042 9.286 3.018 1.00 11.33 H new ATOM 0 HD2 LYS B 103 3.347 11.420 4.410 1.00 11.35 H new ATOM 0 HD3 LYS B 103 4.907 10.842 4.960 1.00 11.35 H new ATOM 0 HE2 LYS B 103 5.989 11.734 2.901 1.00 30.22 H new ATOM 0 HE3 LYS B 103 4.433 12.261 2.291 1.00 30.22 H new ATOM 0 HZ1 LYS B 103 5.638 14.084 3.309 1.00 41.43 H new ATOM 0 HZ2 LYS B 103 4.226 13.759 4.193 1.00 41.43 H new ATOM 0 HZ3 LYS B 103 5.734 13.249 4.784 1.00 41.43 H new ATOM 1780 N ARG B 104 2.373 9.437 -0.980 1.00 21.40 N ATOM 1781 CA ARG B 104 1.534 9.658 -2.176 1.00 73.42 C ATOM 1782 C ARG B 104 1.031 8.322 -2.737 1.00 35.55 C ATOM 1783 O ARG B 104 -0.086 8.238 -3.257 1.00 4.21 O ATOM 1784 CB ARG B 104 2.346 10.408 -3.258 1.00 52.13 C ATOM 1785 CG ARG B 104 1.559 10.736 -4.544 1.00 3.25 C ATOM 1786 CD ARG B 104 2.426 11.397 -5.618 1.00 54.12 C ATOM 1787 NE ARG B 104 1.657 11.670 -6.852 1.00 12.22 N ATOM 1788 CZ ARG B 104 1.778 12.769 -7.620 1.00 71.03 C ATOM 1789 NH1 ARG B 104 2.627 13.739 -7.293 1.00 51.10 N ATOM 1790 NH2 ARG B 104 1.038 12.893 -8.714 1.00 52.54 N ATOM 0 H ARG B 104 3.335 9.756 -1.091 1.00 21.40 H new ATOM 0 HA ARG B 104 0.673 10.261 -1.888 1.00 73.42 H new ATOM 0 HB2 ARG B 104 2.722 11.338 -2.831 1.00 52.13 H new ATOM 0 HB3 ARG B 104 3.215 9.805 -3.524 1.00 52.13 H new ATOM 0 HG2 ARG B 104 1.129 9.818 -4.945 1.00 3.25 H new ATOM 0 HG3 ARG B 104 0.728 11.397 -4.297 1.00 3.25 H new ATOM 0 HD2 ARG B 104 2.836 12.330 -5.231 1.00 54.12 H new ATOM 0 HD3 ARG B 104 3.271 10.750 -5.852 1.00 54.12 H new ATOM 0 HE ARG B 104 0.979 10.967 -7.145 1.00 12.22 H new ATOM 0 HH11 ARG B 104 3.197 13.656 -6.451 1.00 51.10 H new ATOM 0 HH12 ARG B 104 2.708 14.566 -7.884 1.00 51.10 H new ATOM 0 HH21 ARG B 104 0.380 12.157 -8.971 1.00 52.54 H new ATOM 0 HH22 ARG B 104 1.127 13.724 -9.298 1.00 52.54 H new ATOM 1804 N GLY B 105 1.891 7.293 -2.626 1.00 4.42 N ATOM 1805 CA GLY B 105 1.557 5.938 -3.029 1.00 24.13 C ATOM 1806 C GLY B 105 0.458 5.355 -2.172 1.00 61.14 C ATOM 1807 O GLY B 105 -0.368 4.602 -2.673 1.00 13.14 O ATOM 0 H GLY B 105 2.835 7.390 -2.252 1.00 4.42 H new ATOM 0 HA2 GLY B 105 1.244 5.936 -4.073 1.00 24.13 H new ATOM 0 HA3 GLY B 105 2.444 5.309 -2.961 1.00 24.13 H new ATOM 1811 N ILE B 106 0.456 5.705 -0.870 1.00 30.02 N ATOM 1812 CA ILE B 106 -0.620 5.319 0.057 1.00 72.03 C ATOM 1813 C ILE B 106 -1.924 6.067 -0.273 1.00 72.41 C ATOM 1814 O ILE B 106 -2.980 5.464 -0.247 1.00 52.41 O ATOM 1815 CB ILE B 106 -0.195 5.513 1.587 1.00 43.34 C ATOM 1816 CG1 ILE B 106 0.473 4.208 2.150 1.00 10.10 C ATOM 1817 CG2 ILE B 106 -1.380 5.955 2.504 1.00 64.24 C ATOM 1818 CD1 ILE B 106 1.739 3.747 1.454 1.00 3.24 C ATOM 0 H ILE B 106 1.195 6.259 -0.437 1.00 30.02 H new ATOM 0 HA ILE B 106 -0.803 4.253 -0.080 1.00 72.03 H new ATOM 0 HB ILE B 106 0.532 6.325 1.600 1.00 43.34 H new ATOM 0 HG12 ILE B 106 0.701 4.368 3.204 1.00 10.10 H new ATOM 0 HG13 ILE B 106 -0.258 3.401 2.101 1.00 10.10 H new ATOM 0 HG21 ILE B 106 -1.025 6.069 3.528 1.00 64.24 H new ATOM 0 HG22 ILE B 106 -1.779 6.906 2.150 1.00 64.24 H new ATOM 0 HG23 ILE B 106 -2.165 5.199 2.474 1.00 64.24 H new ATOM 0 HD11 ILE B 106 2.106 2.838 1.931 1.00 3.24 H new ATOM 0 HD12 ILE B 106 1.524 3.545 0.405 1.00 3.24 H new ATOM 0 HD13 ILE B 106 2.498 4.526 1.525 1.00 3.24 H new ATOM 1830 N ILE B 107 -1.838 7.376 -0.596 1.00 15.14 N ATOM 1831 CA ILE B 107 -3.027 8.171 -0.995 1.00 11.11 C ATOM 1832 C ILE B 107 -3.650 7.569 -2.272 1.00 20.31 C ATOM 1833 O ILE B 107 -4.874 7.426 -2.380 1.00 34.42 O ATOM 1834 CB ILE B 107 -2.670 9.683 -1.247 1.00 70.31 C ATOM 1835 CG1 ILE B 107 -2.094 10.333 0.045 1.00 24.32 C ATOM 1836 CG2 ILE B 107 -3.904 10.475 -1.762 1.00 35.42 C ATOM 1837 CD1 ILE B 107 -1.665 11.782 -0.120 1.00 72.02 C ATOM 0 H ILE B 107 -0.965 7.904 -0.589 1.00 15.14 H new ATOM 0 HA ILE B 107 -3.741 8.131 -0.172 1.00 11.11 H new ATOM 0 HB ILE B 107 -1.904 9.722 -2.022 1.00 70.31 H new ATOM 0 HG12 ILE B 107 -2.846 10.277 0.832 1.00 24.32 H new ATOM 0 HG13 ILE B 107 -1.237 9.749 0.380 1.00 24.32 H new ATOM 0 HG21 ILE B 107 -3.625 11.516 -1.927 1.00 35.42 H new ATOM 0 HG22 ILE B 107 -4.251 10.040 -2.699 1.00 35.42 H new ATOM 0 HG23 ILE B 107 -4.703 10.426 -1.022 1.00 35.42 H new ATOM 0 HD11 ILE B 107 -1.276 12.156 0.827 1.00 72.02 H new ATOM 0 HD12 ILE B 107 -0.888 11.847 -0.882 1.00 72.02 H new ATOM 0 HD13 ILE B 107 -2.522 12.383 -0.423 1.00 72.02 H new ATOM 1849 N HIS B 108 -2.759 7.167 -3.197 1.00 24.53 N ATOM 1850 CA HIS B 108 -3.132 6.573 -4.479 1.00 3.43 C ATOM 1851 C HIS B 108 -3.795 5.213 -4.239 1.00 12.41 C ATOM 1852 O HIS B 108 -4.921 4.995 -4.666 1.00 32.35 O ATOM 1853 CB HIS B 108 -1.887 6.415 -5.392 1.00 3.32 C ATOM 1854 CG HIS B 108 -2.201 5.989 -6.795 1.00 3.42 C ATOM 1855 ND1 HIS B 108 -1.383 5.166 -7.531 1.00 5.35 N ATOM 1856 CD2 HIS B 108 -3.244 6.293 -7.605 1.00 75.00 C ATOM 1857 CE1 HIS B 108 -1.902 4.983 -8.724 1.00 21.14 C ATOM 1858 NE2 HIS B 108 -3.027 5.654 -8.788 1.00 43.33 N ATOM 0 H HIS B 108 -1.751 7.250 -3.067 1.00 24.53 H new ATOM 0 HA HIS B 108 -3.838 7.232 -4.983 1.00 3.43 H new ATOM 0 HB2 HIS B 108 -1.352 7.364 -5.424 1.00 3.32 H new ATOM 0 HB3 HIS B 108 -1.213 5.684 -4.945 1.00 3.32 H new ATOM 0 HD2 HIS B 108 -4.087 6.922 -7.359 1.00 75.00 H new ATOM 0 HE1 HIS B 108 -1.476 4.384 -9.515 1.00 21.14 H new ATOM 0 HE2 HIS B 108 -3.644 5.692 -9.599 1.00 43.33 H new ATOM 1867 N ALA B 109 -3.098 4.349 -3.486 1.00 63.31 N ATOM 1868 CA ALA B 109 -3.520 2.964 -3.236 1.00 32.54 C ATOM 1869 C ALA B 109 -4.825 2.908 -2.430 1.00 24.11 C ATOM 1870 O ALA B 109 -5.673 2.069 -2.694 1.00 23.11 O ATOM 1871 CB ALA B 109 -2.408 2.191 -2.512 1.00 1.54 C ATOM 0 H ALA B 109 -2.219 4.594 -3.030 1.00 63.31 H new ATOM 0 HA ALA B 109 -3.708 2.494 -4.201 1.00 32.54 H new ATOM 0 HB1 ALA B 109 -2.734 1.166 -2.333 1.00 1.54 H new ATOM 0 HB2 ALA B 109 -1.509 2.183 -3.129 1.00 1.54 H new ATOM 0 HB3 ALA B 109 -2.190 2.674 -1.559 1.00 1.54 H new ATOM 1877 N ARG B 110 -4.980 3.840 -1.472 1.00 41.31 N ATOM 1878 CA ARG B 110 -6.168 3.918 -0.595 1.00 30.01 C ATOM 1879 C ARG B 110 -7.393 4.366 -1.403 1.00 43.30 C ATOM 1880 O ARG B 110 -8.496 3.874 -1.182 1.00 61.15 O ATOM 1881 CB ARG B 110 -5.902 4.903 0.575 1.00 12.22 C ATOM 1882 CG ARG B 110 -6.958 4.896 1.699 1.00 43.21 C ATOM 1883 CD ARG B 110 -6.636 5.921 2.803 1.00 2.21 C ATOM 1884 NE ARG B 110 -6.592 7.300 2.285 1.00 13.10 N ATOM 1885 CZ ARG B 110 -6.525 8.417 3.034 1.00 5.13 C ATOM 1886 NH1 ARG B 110 -6.485 8.355 4.370 1.00 12.21 N ATOM 1887 NH2 ARG B 110 -6.502 9.603 2.432 1.00 40.12 N ATOM 0 H ARG B 110 -4.285 4.562 -1.282 1.00 41.31 H new ATOM 0 HA ARG B 110 -6.368 2.930 -0.181 1.00 30.01 H new ATOM 0 HB2 ARG B 110 -4.931 4.669 1.011 1.00 12.22 H new ATOM 0 HB3 ARG B 110 -5.834 5.912 0.169 1.00 12.22 H new ATOM 0 HG2 ARG B 110 -7.938 5.115 1.276 1.00 43.21 H new ATOM 0 HG3 ARG B 110 -7.015 3.899 2.136 1.00 43.21 H new ATOM 0 HD2 ARG B 110 -7.388 5.854 3.590 1.00 2.21 H new ATOM 0 HD3 ARG B 110 -5.676 5.674 3.257 1.00 2.21 H new ATOM 0 HE ARG B 110 -6.614 7.418 1.272 1.00 13.10 H new ATOM 0 HH11 ARG B 110 -6.505 7.450 4.839 1.00 12.21 H new ATOM 0 HH12 ARG B 110 -6.434 9.213 4.919 1.00 12.21 H new ATOM 0 HH21 ARG B 110 -6.535 9.659 1.414 1.00 40.12 H new ATOM 0 HH22 ARG B 110 -6.451 10.456 2.988 1.00 40.12 H new ATOM 1901 N ALA B 111 -7.162 5.288 -2.364 1.00 15.10 N ATOM 1902 CA ALA B 111 -8.204 5.772 -3.285 1.00 73.31 C ATOM 1903 C ALA B 111 -8.609 4.654 -4.265 1.00 12.21 C ATOM 1904 O ALA B 111 -9.785 4.517 -4.608 1.00 15.42 O ATOM 1905 CB ALA B 111 -7.710 7.010 -4.054 1.00 55.43 C ATOM 0 H ALA B 111 -6.248 5.714 -2.519 1.00 15.10 H new ATOM 0 HA ALA B 111 -9.079 6.057 -2.702 1.00 73.31 H new ATOM 0 HB1 ALA B 111 -8.492 7.355 -4.730 1.00 55.43 H new ATOM 0 HB2 ALA B 111 -7.465 7.803 -3.348 1.00 55.43 H new ATOM 0 HB3 ALA B 111 -6.822 6.750 -4.630 1.00 55.43 H new ATOM 1911 N LEU B 112 -7.611 3.843 -4.681 1.00 72.21 N ATOM 1912 CA LEU B 112 -7.817 2.697 -5.584 1.00 10.42 C ATOM 1913 C LEU B 112 -8.686 1.623 -4.905 1.00 10.30 C ATOM 1914 O LEU B 112 -9.622 1.110 -5.520 1.00 51.23 O ATOM 1915 CB LEU B 112 -6.455 2.106 -6.059 1.00 60.41 C ATOM 1916 CG LEU B 112 -5.598 3.033 -6.988 1.00 61.45 C ATOM 1917 CD1 LEU B 112 -4.209 2.422 -7.268 1.00 2.21 C ATOM 1918 CD2 LEU B 112 -6.345 3.368 -8.300 1.00 5.41 C ATOM 0 H LEU B 112 -6.639 3.968 -4.397 1.00 72.21 H new ATOM 0 HA LEU B 112 -8.347 3.050 -6.469 1.00 10.42 H new ATOM 0 HB2 LEU B 112 -5.862 1.856 -5.179 1.00 60.41 H new ATOM 0 HB3 LEU B 112 -6.650 1.173 -6.588 1.00 60.41 H new ATOM 0 HG LEU B 112 -5.440 3.971 -6.456 1.00 61.45 H new ATOM 0 HD11 LEU B 112 -3.641 3.091 -7.915 1.00 2.21 H new ATOM 0 HD12 LEU B 112 -3.675 2.287 -6.328 1.00 2.21 H new ATOM 0 HD13 LEU B 112 -4.329 1.456 -7.759 1.00 2.21 H new ATOM 0 HD21 LEU B 112 -5.721 4.012 -8.920 1.00 5.41 H new ATOM 0 HD22 LEU B 112 -6.563 2.447 -8.840 1.00 5.41 H new ATOM 0 HD23 LEU B 112 -7.278 3.882 -8.067 1.00 5.41 H new ATOM 1930 N VAL B 113 -8.390 1.327 -3.620 1.00 43.45 N ATOM 1931 CA VAL B 113 -9.171 0.361 -2.823 1.00 34.11 C ATOM 1932 C VAL B 113 -10.594 0.884 -2.573 1.00 4.42 C ATOM 1933 O VAL B 113 -11.565 0.145 -2.720 1.00 33.14 O ATOM 1934 CB VAL B 113 -8.482 0.005 -1.445 1.00 64.05 C ATOM 1935 CG1 VAL B 113 -9.322 -1.021 -0.643 1.00 33.34 C ATOM 1936 CG2 VAL B 113 -7.046 -0.525 -1.656 1.00 24.10 C ATOM 0 H VAL B 113 -7.611 1.747 -3.113 1.00 43.45 H new ATOM 0 HA VAL B 113 -9.217 -0.555 -3.411 1.00 34.11 H new ATOM 0 HB VAL B 113 -8.425 0.926 -0.866 1.00 64.05 H new ATOM 0 HG11 VAL B 113 -8.821 -1.245 0.299 1.00 33.34 H new ATOM 0 HG12 VAL B 113 -10.308 -0.604 -0.439 1.00 33.34 H new ATOM 0 HG13 VAL B 113 -9.428 -1.937 -1.224 1.00 33.34 H new ATOM 0 HG21 VAL B 113 -6.600 -0.761 -0.690 1.00 24.10 H new ATOM 0 HG22 VAL B 113 -7.077 -1.425 -2.271 1.00 24.10 H new ATOM 0 HG23 VAL B 113 -6.447 0.236 -2.156 1.00 24.10 H new ATOM 1946 N ARG B 114 -10.683 2.186 -2.258 1.00 24.50 N ATOM 1947 CA ARG B 114 -11.935 2.863 -1.879 1.00 25.43 C ATOM 1948 C ARG B 114 -12.976 2.788 -3.017 1.00 53.41 C ATOM 1949 O ARG B 114 -14.097 2.292 -2.827 1.00 21.13 O ATOM 1950 CB ARG B 114 -11.618 4.346 -1.525 1.00 71.25 C ATOM 1951 CG ARG B 114 -12.709 5.073 -0.713 1.00 63.03 C ATOM 1952 CD ARG B 114 -12.903 4.462 0.688 1.00 63.31 C ATOM 1953 NE ARG B 114 -13.654 5.344 1.598 1.00 55.33 N ATOM 1954 CZ ARG B 114 -13.303 5.600 2.869 1.00 23.11 C ATOM 1955 NH1 ARG B 114 -12.211 5.053 3.390 1.00 74.23 N ATOM 1956 NH2 ARG B 114 -14.046 6.390 3.624 1.00 40.41 N ATOM 0 H ARG B 114 -9.875 2.808 -2.259 1.00 24.50 H new ATOM 0 HA ARG B 114 -12.364 2.361 -1.012 1.00 25.43 H new ATOM 0 HB2 ARG B 114 -10.686 4.377 -0.961 1.00 71.25 H new ATOM 0 HB3 ARG B 114 -11.449 4.896 -2.451 1.00 71.25 H new ATOM 0 HG2 ARG B 114 -12.444 6.126 -0.614 1.00 63.03 H new ATOM 0 HG3 ARG B 114 -13.652 5.032 -1.258 1.00 63.03 H new ATOM 0 HD2 ARG B 114 -13.429 3.512 0.595 1.00 63.31 H new ATOM 0 HD3 ARG B 114 -11.927 4.245 1.123 1.00 63.31 H new ATOM 0 HE ARG B 114 -14.498 5.791 1.239 1.00 55.33 H new ATOM 0 HH11 ARG B 114 -11.631 4.433 2.824 1.00 74.23 H new ATOM 0 HH12 ARG B 114 -11.952 5.253 4.356 1.00 74.23 H new ATOM 0 HH21 ARG B 114 -14.893 6.811 3.243 1.00 40.41 H new ATOM 0 HH22 ARG B 114 -13.772 6.579 4.588 1.00 40.41 H new ATOM 1970 N GLU B 115 -12.559 3.244 -4.206 1.00 63.31 N ATOM 1971 CA GLU B 115 -13.428 3.315 -5.391 1.00 42.43 C ATOM 1972 C GLU B 115 -13.698 1.923 -5.983 1.00 40.34 C ATOM 1973 O GLU B 115 -14.731 1.713 -6.622 1.00 32.21 O ATOM 1974 CB GLU B 115 -12.788 4.237 -6.453 1.00 62.41 C ATOM 1975 CG GLU B 115 -12.466 5.661 -5.957 1.00 10.22 C ATOM 1976 CD GLU B 115 -13.693 6.427 -5.441 1.00 4.33 C ATOM 1977 OE1 GLU B 115 -14.434 6.992 -6.271 1.00 63.42 O ATOM 1978 OE2 GLU B 115 -13.923 6.462 -4.207 1.00 22.41 O ATOM 0 H GLU B 115 -11.609 3.575 -4.375 1.00 63.31 H new ATOM 0 HA GLU B 115 -14.388 3.729 -5.082 1.00 42.43 H new ATOM 0 HB2 GLU B 115 -11.868 3.774 -6.810 1.00 62.41 H new ATOM 0 HB3 GLU B 115 -13.461 4.308 -7.307 1.00 62.41 H new ATOM 0 HG2 GLU B 115 -11.725 5.600 -5.160 1.00 10.22 H new ATOM 0 HG3 GLU B 115 -12.012 6.226 -6.771 1.00 10.22 H new ATOM 1985 N CYS B 116 -12.770 0.971 -5.766 1.00 23.41 N ATOM 1986 CA CYS B 116 -12.940 -0.401 -6.260 1.00 44.32 C ATOM 1987 C CYS B 116 -13.981 -1.148 -5.422 1.00 2.31 C ATOM 1988 O CYS B 116 -14.828 -1.822 -5.985 1.00 55.44 O ATOM 1989 CB CYS B 116 -11.619 -1.167 -6.258 1.00 24.40 C ATOM 1990 SG CYS B 116 -11.741 -2.840 -6.927 1.00 13.05 S ATOM 0 H CYS B 116 -11.902 1.129 -5.255 1.00 23.41 H new ATOM 0 HA CYS B 116 -13.290 -0.337 -7.290 1.00 44.32 H new ATOM 0 HB2 CYS B 116 -10.885 -0.607 -6.838 1.00 24.40 H new ATOM 0 HB3 CYS B 116 -11.244 -1.222 -5.236 1.00 24.40 H new ATOM 0 HG CYS B 116 -10.573 -3.410 -6.886 1.00 13.05 H new ATOM 1996 N LEU B 117 -13.941 -0.962 -4.076 1.00 23.21 N ATOM 1997 CA LEU B 117 -14.937 -1.538 -3.132 1.00 65.23 C ATOM 1998 C LEU B 117 -16.381 -1.200 -3.568 1.00 41.11 C ATOM 1999 O LEU B 117 -17.293 -2.016 -3.385 1.00 53.24 O ATOM 2000 CB LEU B 117 -14.698 -1.017 -1.677 1.00 32.31 C ATOM 2001 CG LEU B 117 -13.498 -1.629 -0.885 1.00 33.21 C ATOM 2002 CD1 LEU B 117 -13.247 -0.856 0.433 1.00 61.23 C ATOM 2003 CD2 LEU B 117 -13.735 -3.125 -0.608 1.00 24.30 C ATOM 0 H LEU B 117 -13.218 -0.409 -3.615 1.00 23.21 H new ATOM 0 HA LEU B 117 -14.808 -2.620 -3.148 1.00 65.23 H new ATOM 0 HB2 LEU B 117 -14.555 0.063 -1.724 1.00 32.31 H new ATOM 0 HB3 LEU B 117 -15.607 -1.194 -1.102 1.00 32.31 H new ATOM 0 HG LEU B 117 -12.604 -1.534 -1.502 1.00 33.21 H new ATOM 0 HD11 LEU B 117 -12.407 -1.304 0.963 1.00 61.23 H new ATOM 0 HD12 LEU B 117 -13.019 0.186 0.206 1.00 61.23 H new ATOM 0 HD13 LEU B 117 -14.138 -0.905 1.059 1.00 61.23 H new ATOM 0 HD21 LEU B 117 -12.888 -3.531 -0.056 1.00 24.30 H new ATOM 0 HD22 LEU B 117 -14.644 -3.246 -0.019 1.00 24.30 H new ATOM 0 HD23 LEU B 117 -13.841 -3.658 -1.553 1.00 24.30 H new