USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=22 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: A 84 MET CE :methyl 174:sc= -1.93! (180deg=-2.16!) USER MOD Set 1.2: B 84 MET CE :methyl -177:sc= -1.43 (180deg=-1.46) USER MOD Single : A 75 THR OG1 : rot 35:sc= 0.0738 USER MOD Single : A 79 SER OG : rot 67:sc= 1.1 USER MOD Single : A 86 LYS NZ :NH3+ -109:sc= 0.383 (180deg=-0.142) USER MOD Single : A 91 THR OG1 : rot 88:sc= 0.8 USER MOD Single : A 92 TYR OH : rot -39:sc= -0.696 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.0216 (180deg=-0.172) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 155:sc= -0.269 (180deg=-0.989) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 75 THR OG1 : rot 37:sc= 0.0521 USER MOD Single : B 79 SER OG : rot 71:sc= 0.652 USER MOD Single : B 86 LYS NZ :NH3+ -172:sc= -0.0273 (180deg=-0.266) USER MOD Single : B 91 THR OG1 : rot 81:sc= 1.1 USER MOD Single : B 92 TYR OH : rot -26:sc= -0.655 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00765) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -111:sc= -0.24 (180deg=-0.7) USER MOD Single : B 103 LYS NZ :NH3+ -167:sc= -0.0251 (180deg=-0.23) USER MOD Single : B 108 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.38) USER MOD Single : B 116 CYS SG : rot 68:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.153 -4.399 3.217 1.00 0.51 N ATOM 242 CA THR A 75 -11.916 -3.179 4.007 1.00 45.11 C ATOM 243 C THR A 75 -10.567 -3.284 4.740 1.00 62.33 C ATOM 244 O THR A 75 -9.938 -2.264 5.038 1.00 3.32 O ATOM 245 CB THR A 75 -13.095 -2.925 5.010 1.00 3.31 C ATOM 246 OG1 THR A 75 -14.317 -2.803 4.276 1.00 63.20 O ATOM 247 CG2 THR A 75 -12.915 -1.652 5.854 1.00 24.02 C ATOM 0 HA THR A 75 -11.874 -2.324 3.333 1.00 45.11 H new ATOM 0 HB THR A 75 -13.111 -3.775 5.693 1.00 3.31 H new ATOM 0 HG1 THR A 75 -14.295 -3.404 3.502 1.00 63.20 H new ATOM 0 HG21 THR A 75 -13.766 -1.537 6.526 1.00 24.02 H new ATOM 0 HG22 THR A 75 -11.999 -1.730 6.439 1.00 24.02 H new ATOM 0 HG23 THR A 75 -12.853 -0.785 5.196 1.00 24.02 H new ATOM 255 N ASP A 76 -10.111 -4.542 4.965 1.00 74.02 N ATOM 256 CA ASP A 76 -8.796 -4.828 5.543 1.00 20.01 C ATOM 257 C ASP A 76 -7.686 -4.259 4.656 1.00 71.25 C ATOM 258 O ASP A 76 -6.754 -3.665 5.171 1.00 1.34 O ATOM 259 CB ASP A 76 -8.591 -6.353 5.753 1.00 21.12 C ATOM 260 CG ASP A 76 -7.212 -6.688 6.365 1.00 54.33 C ATOM 261 OD1 ASP A 76 -7.046 -6.531 7.596 1.00 73.53 O ATOM 262 OD2 ASP A 76 -6.292 -7.101 5.626 1.00 40.05 O ATOM 0 H ASP A 76 -10.653 -5.378 4.747 1.00 74.02 H new ATOM 0 HA ASP A 76 -8.749 -4.345 6.519 1.00 20.01 H new ATOM 0 HB2 ASP A 76 -9.376 -6.735 6.405 1.00 21.12 H new ATOM 0 HB3 ASP A 76 -8.694 -6.865 4.796 1.00 21.12 H new ATOM 267 N LEU A 77 -7.824 -4.406 3.317 1.00 74.31 N ATOM 268 CA LEU A 77 -6.846 -3.860 2.353 1.00 61.31 C ATOM 269 C LEU A 77 -6.789 -2.323 2.440 1.00 4.22 C ATOM 270 O LEU A 77 -5.697 -1.751 2.515 1.00 33.33 O ATOM 271 CB LEU A 77 -7.159 -4.320 0.898 1.00 4.20 C ATOM 272 CG LEU A 77 -6.199 -3.767 -0.215 1.00 50.11 C ATOM 273 CD1 LEU A 77 -4.718 -4.052 0.106 1.00 51.14 C ATOM 274 CD2 LEU A 77 -6.571 -4.315 -1.607 1.00 23.44 C ATOM 0 H LEU A 77 -8.604 -4.899 2.882 1.00 74.31 H new ATOM 0 HA LEU A 77 -5.866 -4.255 2.620 1.00 61.31 H new ATOM 0 HB2 LEU A 77 -7.131 -5.409 0.867 1.00 4.20 H new ATOM 0 HB3 LEU A 77 -8.178 -4.021 0.654 1.00 4.20 H new ATOM 0 HG LEU A 77 -6.330 -2.685 -0.232 1.00 50.11 H new ATOM 0 HD11 LEU A 77 -4.090 -3.652 -0.690 1.00 51.14 H new ATOM 0 HD12 LEU A 77 -4.453 -3.577 1.051 1.00 51.14 H new ATOM 0 HD13 LEU A 77 -4.563 -5.128 0.185 1.00 51.14 H new ATOM 0 HD21 LEU A 77 -5.886 -3.911 -2.352 1.00 23.44 H new ATOM 0 HD22 LEU A 77 -6.500 -5.403 -1.601 1.00 23.44 H new ATOM 0 HD23 LEU A 77 -7.591 -4.019 -1.854 1.00 23.44 H new ATOM 286 N LEU A 78 -7.977 -1.681 2.475 1.00 13.11 N ATOM 287 CA LEU A 78 -8.112 -0.213 2.646 1.00 40.11 C ATOM 288 C LEU A 78 -7.413 0.248 3.943 1.00 74.43 C ATOM 289 O LEU A 78 -6.800 1.329 3.991 1.00 63.02 O ATOM 290 CB LEU A 78 -9.616 0.188 2.670 1.00 35.31 C ATOM 291 CG LEU A 78 -9.920 1.720 2.636 1.00 53.24 C ATOM 292 CD1 LEU A 78 -9.499 2.353 1.289 1.00 64.12 C ATOM 293 CD2 LEU A 78 -11.404 2.003 2.952 1.00 62.45 C ATOM 0 H LEU A 78 -8.871 -2.164 2.386 1.00 13.11 H new ATOM 0 HA LEU A 78 -7.630 0.281 1.802 1.00 40.11 H new ATOM 0 HB2 LEU A 78 -10.109 -0.278 1.817 1.00 35.31 H new ATOM 0 HB3 LEU A 78 -10.069 -0.232 3.568 1.00 35.31 H new ATOM 0 HG LEU A 78 -9.321 2.190 3.416 1.00 53.24 H new ATOM 0 HD11 LEU A 78 -9.725 3.419 1.301 1.00 64.12 H new ATOM 0 HD12 LEU A 78 -8.429 2.211 1.139 1.00 64.12 H new ATOM 0 HD13 LEU A 78 -10.046 1.875 0.476 1.00 64.12 H new ATOM 0 HD21 LEU A 78 -11.584 3.078 2.921 1.00 62.45 H new ATOM 0 HD22 LEU A 78 -12.034 1.508 2.213 1.00 62.45 H new ATOM 0 HD23 LEU A 78 -11.643 1.624 3.946 1.00 62.45 H new ATOM 305 N SER A 79 -7.489 -0.614 4.975 1.00 61.22 N ATOM 306 CA SER A 79 -6.831 -0.389 6.257 1.00 73.53 C ATOM 307 C SER A 79 -5.301 -0.513 6.109 1.00 31.53 C ATOM 308 O SER A 79 -4.603 0.399 6.510 1.00 65.13 O ATOM 309 CB SER A 79 -7.367 -1.380 7.310 1.00 34.25 C ATOM 310 OG SER A 79 -8.783 -1.314 7.402 1.00 63.42 O ATOM 0 H SER A 79 -8.014 -1.488 4.933 1.00 61.22 H new ATOM 0 HA SER A 79 -7.054 0.623 6.594 1.00 73.53 H new ATOM 0 HB2 SER A 79 -7.064 -2.393 7.047 1.00 34.25 H new ATOM 0 HB3 SER A 79 -6.926 -1.157 8.281 1.00 34.25 H new ATOM 0 HG SER A 79 -9.181 -1.647 6.570 1.00 63.42 H new ATOM 316 N VAL A 80 -4.812 -1.610 5.458 1.00 30.20 N ATOM 317 CA VAL A 80 -3.363 -1.906 5.300 1.00 51.34 C ATOM 318 C VAL A 80 -2.630 -0.716 4.668 1.00 3.04 C ATOM 319 O VAL A 80 -1.558 -0.317 5.139 1.00 43.13 O ATOM 320 CB VAL A 80 -3.095 -3.211 4.425 1.00 33.33 C ATOM 321 CG1 VAL A 80 -1.582 -3.446 4.182 1.00 5.43 C ATOM 322 CG2 VAL A 80 -3.718 -4.467 5.070 1.00 70.13 C ATOM 0 H VAL A 80 -5.416 -2.312 5.029 1.00 30.20 H new ATOM 0 HA VAL A 80 -2.978 -2.089 6.303 1.00 51.34 H new ATOM 0 HB VAL A 80 -3.575 -3.037 3.462 1.00 33.33 H new ATOM 0 HG11 VAL A 80 -1.445 -4.345 3.582 1.00 5.43 H new ATOM 0 HG12 VAL A 80 -1.161 -2.590 3.654 1.00 5.43 H new ATOM 0 HG13 VAL A 80 -1.074 -3.568 5.139 1.00 5.43 H new ATOM 0 HG21 VAL A 80 -3.514 -5.336 4.445 1.00 70.13 H new ATOM 0 HG22 VAL A 80 -3.285 -4.621 6.058 1.00 70.13 H new ATOM 0 HG23 VAL A 80 -4.796 -4.332 5.163 1.00 70.13 H new ATOM 332 N ILE A 81 -3.251 -0.144 3.621 1.00 44.44 N ATOM 333 CA ILE A 81 -2.735 1.049 2.934 1.00 45.01 C ATOM 334 C ILE A 81 -2.541 2.225 3.914 1.00 71.42 C ATOM 335 O ILE A 81 -1.460 2.819 3.984 1.00 61.14 O ATOM 336 CB ILE A 81 -3.673 1.511 1.759 1.00 32.31 C ATOM 337 CG1 ILE A 81 -4.028 0.331 0.804 1.00 12.14 C ATOM 338 CG2 ILE A 81 -3.025 2.667 0.975 1.00 4.05 C ATOM 339 CD1 ILE A 81 -2.845 -0.405 0.189 1.00 2.33 C ATOM 0 H ILE A 81 -4.124 -0.497 3.229 1.00 44.44 H new ATOM 0 HA ILE A 81 -1.770 0.762 2.517 1.00 45.01 H new ATOM 0 HB ILE A 81 -4.604 1.865 2.201 1.00 32.31 H new ATOM 0 HG12 ILE A 81 -4.632 -0.389 1.356 1.00 12.14 H new ATOM 0 HG13 ILE A 81 -4.651 0.717 -0.003 1.00 12.14 H new ATOM 0 HG21 ILE A 81 -3.687 2.974 0.166 1.00 4.05 H new ATOM 0 HG22 ILE A 81 -2.855 3.510 1.644 1.00 4.05 H new ATOM 0 HG23 ILE A 81 -2.073 2.336 0.559 1.00 4.05 H new ATOM 0 HD11 ILE A 81 -3.209 -1.204 -0.456 1.00 2.33 H new ATOM 0 HD12 ILE A 81 -2.248 0.292 -0.399 1.00 2.33 H new ATOM 0 HD13 ILE A 81 -2.229 -0.831 0.981 1.00 2.33 H new ATOM 351 N GLU A 82 -3.594 2.508 4.693 1.00 35.04 N ATOM 352 CA GLU A 82 -3.622 3.636 5.639 1.00 42.23 C ATOM 353 C GLU A 82 -2.614 3.392 6.787 1.00 5.41 C ATOM 354 O GLU A 82 -1.948 4.328 7.250 1.00 51.23 O ATOM 355 CB GLU A 82 -5.083 3.815 6.159 1.00 74.13 C ATOM 356 CG GLU A 82 -5.453 5.210 6.722 1.00 34.23 C ATOM 357 CD GLU A 82 -4.860 5.539 8.103 1.00 61.15 C ATOM 358 OE1 GLU A 82 -5.269 4.906 9.096 1.00 32.40 O ATOM 359 OE2 GLU A 82 -4.016 6.457 8.209 1.00 51.11 O ATOM 0 H GLU A 82 -4.454 1.960 4.686 1.00 35.04 H new ATOM 0 HA GLU A 82 -3.319 4.559 5.145 1.00 42.23 H new ATOM 0 HB2 GLU A 82 -5.766 3.586 5.341 1.00 74.13 H new ATOM 0 HB3 GLU A 82 -5.260 3.075 6.939 1.00 74.13 H new ATOM 0 HG2 GLU A 82 -5.123 5.969 6.013 1.00 34.23 H new ATOM 0 HG3 GLU A 82 -6.539 5.282 6.784 1.00 34.23 H new ATOM 366 N GLU A 83 -2.472 2.114 7.181 1.00 10.03 N ATOM 367 CA GLU A 83 -1.542 1.688 8.232 1.00 2.44 C ATOM 368 C GLU A 83 -0.094 1.954 7.819 1.00 60.01 C ATOM 369 O GLU A 83 0.712 2.406 8.633 1.00 55.31 O ATOM 370 CB GLU A 83 -1.733 0.187 8.567 1.00 34.34 C ATOM 371 CG GLU A 83 -3.103 -0.170 9.179 1.00 40.14 C ATOM 372 CD GLU A 83 -3.410 0.580 10.483 1.00 14.24 C ATOM 373 OE1 GLU A 83 -2.868 0.199 11.541 1.00 23.34 O ATOM 374 OE2 GLU A 83 -4.199 1.551 10.463 1.00 71.43 O ATOM 0 H GLU A 83 -3.005 1.345 6.774 1.00 10.03 H new ATOM 0 HA GLU A 83 -1.762 2.272 9.125 1.00 2.44 H new ATOM 0 HB2 GLU A 83 -1.595 -0.395 7.655 1.00 34.34 H new ATOM 0 HB3 GLU A 83 -0.950 -0.118 9.261 1.00 34.34 H new ATOM 0 HG2 GLU A 83 -3.884 0.049 8.451 1.00 40.14 H new ATOM 0 HG3 GLU A 83 -3.137 -1.243 9.370 1.00 40.14 H new ATOM 381 N MET A 84 0.219 1.673 6.546 1.00 54.00 N ATOM 382 CA MET A 84 1.536 1.959 5.968 1.00 11.12 C ATOM 383 C MET A 84 1.808 3.465 5.997 1.00 31.34 C ATOM 384 O MET A 84 2.883 3.879 6.408 1.00 51.20 O ATOM 385 CB MET A 84 1.638 1.402 4.525 1.00 64.04 C ATOM 386 CG MET A 84 1.623 -0.126 4.452 1.00 12.12 C ATOM 387 SD MET A 84 1.936 -0.762 2.792 1.00 12.30 S ATOM 388 CE MET A 84 0.603 -0.061 1.827 1.00 31.25 C ATOM 0 H MET A 84 -0.433 1.242 5.891 1.00 54.00 H new ATOM 0 HA MET A 84 2.296 1.460 6.569 1.00 11.12 H new ATOM 0 HB2 MET A 84 0.809 1.793 3.935 1.00 64.04 H new ATOM 0 HB3 MET A 84 2.556 1.770 4.067 1.00 64.04 H new ATOM 0 HG2 MET A 84 2.375 -0.523 5.134 1.00 12.12 H new ATOM 0 HG3 MET A 84 0.655 -0.490 4.797 1.00 12.12 H new ATOM 0 HE1 MET A 84 0.754 -0.296 0.773 1.00 31.25 H new ATOM 0 HE2 MET A 84 -0.347 -0.480 2.160 1.00 31.25 H new ATOM 0 HE3 MET A 84 0.589 1.021 1.958 1.00 31.25 H new ATOM 398 N GLY A 85 0.784 4.270 5.627 1.00 14.41 N ATOM 399 CA GLY A 85 0.877 5.741 5.665 1.00 72.44 C ATOM 400 C GLY A 85 1.134 6.315 7.066 1.00 63.42 C ATOM 401 O GLY A 85 1.607 7.450 7.210 1.00 4.21 O ATOM 0 H GLY A 85 -0.116 3.920 5.299 1.00 14.41 H new ATOM 0 HA2 GLY A 85 1.679 6.061 5.000 1.00 72.44 H new ATOM 0 HA3 GLY A 85 -0.049 6.163 5.275 1.00 72.44 H new ATOM 405 N LYS A 86 0.832 5.504 8.098 1.00 45.11 N ATOM 406 CA LYS A 86 1.115 5.830 9.507 1.00 62.22 C ATOM 407 C LYS A 86 2.576 5.474 9.826 1.00 53.30 C ATOM 408 O LYS A 86 3.270 6.224 10.520 1.00 31.51 O ATOM 409 CB LYS A 86 0.145 5.048 10.439 1.00 5.53 C ATOM 410 CG LYS A 86 -1.340 5.477 10.316 1.00 54.23 C ATOM 411 CD LYS A 86 -2.332 4.432 10.893 1.00 40.30 C ATOM 412 CE LYS A 86 -2.025 4.029 12.338 1.00 41.30 C ATOM 413 NZ LYS A 86 -2.981 3.016 12.860 1.00 25.54 N ATOM 0 H LYS A 86 0.381 4.597 7.975 1.00 45.11 H new ATOM 0 HA LYS A 86 0.964 6.897 9.674 1.00 62.22 H new ATOM 0 HB2 LYS A 86 0.224 3.984 10.216 1.00 5.53 H new ATOM 0 HB3 LYS A 86 0.466 5.181 11.472 1.00 5.53 H new ATOM 0 HG2 LYS A 86 -1.481 6.426 10.834 1.00 54.23 H new ATOM 0 HG3 LYS A 86 -1.575 5.649 9.266 1.00 54.23 H new ATOM 0 HD2 LYS A 86 -3.343 4.837 10.844 1.00 40.30 H new ATOM 0 HD3 LYS A 86 -2.315 3.541 10.265 1.00 40.30 H new ATOM 0 HE2 LYS A 86 -1.012 3.631 12.394 1.00 41.30 H new ATOM 0 HE3 LYS A 86 -2.055 4.914 12.973 1.00 41.30 H new ATOM 0 HZ1 LYS A 86 -3.602 3.457 13.568 1.00 25.54 H new ATOM 0 HZ2 LYS A 86 -3.557 2.646 12.077 1.00 25.54 H new ATOM 0 HZ3 LYS A 86 -2.454 2.236 13.301 1.00 25.54 H new ATOM 427 N GLU A 87 3.036 4.330 9.270 1.00 4.23 N ATOM 428 CA GLU A 87 4.382 3.774 9.522 1.00 52.23 C ATOM 429 C GLU A 87 5.477 4.518 8.752 1.00 72.52 C ATOM 430 O GLU A 87 6.644 4.403 9.115 1.00 23.44 O ATOM 431 CB GLU A 87 4.432 2.264 9.164 1.00 32.45 C ATOM 432 CG GLU A 87 3.446 1.395 9.955 1.00 0.40 C ATOM 433 CD GLU A 87 3.624 1.514 11.478 1.00 12.20 C ATOM 434 OE1 GLU A 87 4.504 0.838 12.043 1.00 32.04 O ATOM 435 OE2 GLU A 87 2.883 2.295 12.122 1.00 4.22 O ATOM 0 H GLU A 87 2.479 3.764 8.630 1.00 4.23 H new ATOM 0 HA GLU A 87 4.575 3.904 10.587 1.00 52.23 H new ATOM 0 HB2 GLU A 87 4.228 2.148 8.100 1.00 32.45 H new ATOM 0 HB3 GLU A 87 5.443 1.895 9.337 1.00 32.45 H new ATOM 0 HG2 GLU A 87 2.427 1.680 9.691 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.572 0.353 9.661 1.00 0.40 H new ATOM 442 N ILE A 88 5.100 5.296 7.724 1.00 22.12 N ATOM 443 CA ILE A 88 6.065 6.075 6.915 1.00 74.22 C ATOM 444 C ILE A 88 6.773 7.127 7.795 1.00 43.12 C ATOM 445 O ILE A 88 7.954 7.418 7.586 1.00 40.02 O ATOM 446 CB ILE A 88 5.366 6.775 5.679 1.00 34.20 C ATOM 447 CG1 ILE A 88 4.751 5.710 4.726 1.00 61.51 C ATOM 448 CG2 ILE A 88 6.352 7.690 4.901 1.00 5.42 C ATOM 449 CD1 ILE A 88 3.968 6.264 3.553 1.00 32.32 C ATOM 0 H ILE A 88 4.130 5.405 7.429 1.00 22.12 H new ATOM 0 HA ILE A 88 6.805 5.378 6.523 1.00 74.22 H new ATOM 0 HB ILE A 88 4.567 7.406 6.069 1.00 34.20 H new ATOM 0 HG12 ILE A 88 5.556 5.084 4.341 1.00 61.51 H new ATOM 0 HG13 ILE A 88 4.094 5.063 5.307 1.00 61.51 H new ATOM 0 HG21 ILE A 88 5.834 8.152 4.061 1.00 5.42 H new ATOM 0 HG22 ILE A 88 6.729 8.467 5.566 1.00 5.42 H new ATOM 0 HG23 ILE A 88 7.186 7.094 4.530 1.00 5.42 H new ATOM 0 HD11 ILE A 88 3.582 5.441 2.952 1.00 32.32 H new ATOM 0 HD12 ILE A 88 3.137 6.865 3.922 1.00 32.32 H new ATOM 0 HD13 ILE A 88 4.621 6.886 2.941 1.00 32.32 H new ATOM 461 N ARG A 89 6.047 7.658 8.804 1.00 71.04 N ATOM 462 CA ARG A 89 6.558 8.722 9.684 1.00 4.51 C ATOM 463 C ARG A 89 7.700 8.197 10.612 1.00 23.15 C ATOM 464 O ARG A 89 8.816 8.732 10.540 1.00 54.24 O ATOM 465 CB ARG A 89 5.406 9.393 10.487 1.00 1.22 C ATOM 466 CG ARG A 89 4.238 9.918 9.619 1.00 74.15 C ATOM 467 CD ARG A 89 3.068 10.417 10.474 1.00 12.10 C ATOM 468 NE ARG A 89 1.954 10.936 9.659 1.00 13.32 N ATOM 469 CZ ARG A 89 0.682 10.498 9.722 1.00 13.14 C ATOM 470 NH1 ARG A 89 0.350 9.519 10.556 1.00 64.35 N ATOM 471 NH2 ARG A 89 -0.255 11.058 8.967 1.00 2.43 N ATOM 0 H ARG A 89 5.097 7.361 9.027 1.00 71.04 H new ATOM 0 HA ARG A 89 6.997 9.495 9.053 1.00 4.51 H new ATOM 0 HB2 ARG A 89 5.013 8.673 11.204 1.00 1.22 H new ATOM 0 HB3 ARG A 89 5.817 10.223 11.061 1.00 1.22 H new ATOM 0 HG2 ARG A 89 4.594 10.729 8.983 1.00 74.15 H new ATOM 0 HG3 ARG A 89 3.891 9.123 8.958 1.00 74.15 H new ATOM 0 HD2 ARG A 89 2.706 9.602 11.101 1.00 12.10 H new ATOM 0 HD3 ARG A 89 3.420 11.202 11.144 1.00 12.10 H new ATOM 0 HE ARG A 89 2.163 11.684 8.997 1.00 13.32 H new ATOM 0 HH11 ARG A 89 1.060 9.095 11.153 1.00 64.35 H new ATOM 0 HH12 ARG A 89 -0.615 9.191 10.599 1.00 64.35 H new ATOM 0 HH21 ARG A 89 -0.013 11.822 8.337 1.00 2.43 H new ATOM 0 HH22 ARG A 89 -1.217 10.724 9.017 1.00 2.43 H new ATOM 485 N PRO A 90 7.484 7.133 11.489 1.00 5.43 N ATOM 486 CA PRO A 90 8.566 6.586 12.340 1.00 42.33 C ATOM 487 C PRO A 90 9.705 5.933 11.518 1.00 51.14 C ATOM 488 O PRO A 90 10.863 6.049 11.905 1.00 55.10 O ATOM 489 CB PRO A 90 7.840 5.571 13.271 1.00 51.43 C ATOM 490 CG PRO A 90 6.590 5.205 12.541 1.00 71.23 C ATOM 491 CD PRO A 90 6.199 6.435 11.769 1.00 13.10 C ATOM 0 HA PRO A 90 9.078 7.367 12.902 1.00 42.33 H new ATOM 0 HB2 PRO A 90 8.459 4.694 13.458 1.00 51.43 H new ATOM 0 HB3 PRO A 90 7.615 6.015 14.241 1.00 51.43 H new ATOM 0 HG2 PRO A 90 6.759 4.360 11.873 1.00 71.23 H new ATOM 0 HG3 PRO A 90 5.803 4.911 13.235 1.00 71.23 H new ATOM 0 HD2 PRO A 90 5.681 6.175 10.846 1.00 13.10 H new ATOM 0 HD3 PRO A 90 5.524 7.066 12.346 1.00 13.10 H new ATOM 499 N THR A 91 9.368 5.294 10.369 1.00 3.45 N ATOM 500 CA THR A 91 10.370 4.723 9.427 1.00 5.12 C ATOM 501 C THR A 91 11.349 5.812 8.941 1.00 4.23 C ATOM 502 O THR A 91 12.570 5.645 8.998 1.00 13.55 O ATOM 503 CB THR A 91 9.675 4.061 8.188 1.00 45.30 C ATOM 504 OG1 THR A 91 8.881 2.958 8.635 1.00 72.32 O ATOM 505 CG2 THR A 91 10.674 3.568 7.118 1.00 2.22 C ATOM 0 H THR A 91 8.402 5.160 10.069 1.00 3.45 H new ATOM 0 HA THR A 91 10.923 3.957 9.970 1.00 5.12 H new ATOM 0 HB THR A 91 9.060 4.828 7.717 1.00 45.30 H new ATOM 0 HG1 THR A 91 7.985 3.275 8.874 1.00 72.32 H new ATOM 0 HG21 THR A 91 10.127 3.121 6.288 1.00 2.22 H new ATOM 0 HG22 THR A 91 11.262 4.410 6.753 1.00 2.22 H new ATOM 0 HG23 THR A 91 11.340 2.825 7.557 1.00 2.22 H new ATOM 513 N TYR A 92 10.761 6.942 8.516 1.00 14.32 N ATOM 514 CA TYR A 92 11.500 8.134 8.084 1.00 25.21 C ATOM 515 C TYR A 92 12.337 8.730 9.234 1.00 72.40 C ATOM 516 O TYR A 92 13.342 9.388 8.992 1.00 1.24 O ATOM 517 CB TYR A 92 10.501 9.183 7.534 1.00 13.31 C ATOM 518 CG TYR A 92 11.143 10.439 6.942 1.00 15.04 C ATOM 519 CD1 TYR A 92 11.747 10.411 5.686 1.00 61.34 C ATOM 520 CD2 TYR A 92 11.156 11.652 7.642 1.00 24.13 C ATOM 521 CE1 TYR A 92 12.331 11.534 5.155 1.00 73.21 C ATOM 522 CE2 TYR A 92 11.745 12.776 7.109 1.00 74.01 C ATOM 523 CZ TYR A 92 12.333 12.710 5.868 1.00 63.00 C ATOM 524 OH TYR A 92 12.928 13.831 5.338 1.00 51.00 O ATOM 0 H TYR A 92 9.748 7.052 8.463 1.00 14.32 H new ATOM 0 HA TYR A 92 12.196 7.845 7.296 1.00 25.21 H new ATOM 0 HB2 TYR A 92 9.887 8.711 6.767 1.00 13.31 H new ATOM 0 HB3 TYR A 92 9.830 9.481 8.340 1.00 13.31 H new ATOM 0 HD1 TYR A 92 11.756 9.490 5.121 1.00 61.34 H new ATOM 0 HD2 TYR A 92 10.696 11.706 8.617 1.00 24.13 H new ATOM 0 HE1 TYR A 92 12.789 11.494 4.178 1.00 73.21 H new ATOM 0 HE2 TYR A 92 11.745 13.704 7.662 1.00 74.01 H new ATOM 0 HH TYR A 92 13.754 13.576 4.877 1.00 51.00 H new ATOM 534 N ALA A 93 11.909 8.481 10.486 1.00 10.32 N ATOM 535 CA ALA A 93 12.599 8.971 11.697 1.00 40.32 C ATOM 536 C ALA A 93 13.615 7.936 12.241 1.00 13.12 C ATOM 537 O ALA A 93 14.153 8.107 13.338 1.00 24.51 O ATOM 538 CB ALA A 93 11.547 9.338 12.756 1.00 65.41 C ATOM 0 H ALA A 93 11.073 7.933 10.688 1.00 10.32 H new ATOM 0 HA ALA A 93 13.177 9.859 11.440 1.00 40.32 H new ATOM 0 HB1 ALA A 93 12.046 9.701 13.654 1.00 65.41 H new ATOM 0 HB2 ALA A 93 10.893 10.117 12.364 1.00 65.41 H new ATOM 0 HB3 ALA A 93 10.955 8.456 13.001 1.00 65.41 H new ATOM 544 N GLY A 94 13.873 6.867 11.459 1.00 30.44 N ATOM 545 CA GLY A 94 14.921 5.884 11.781 1.00 4.00 C ATOM 546 C GLY A 94 14.429 4.658 12.548 1.00 10.42 C ATOM 547 O GLY A 94 15.242 3.794 12.902 1.00 63.32 O ATOM 0 H GLY A 94 13.366 6.665 10.597 1.00 30.44 H new ATOM 0 HA2 GLY A 94 15.387 5.553 10.853 1.00 4.00 H new ATOM 0 HA3 GLY A 94 15.695 6.377 12.369 1.00 4.00 H new ATOM 551 N SER A 95 13.113 4.571 12.817 1.00 22.13 N ATOM 552 CA SER A 95 12.517 3.416 13.515 1.00 54.00 C ATOM 553 C SER A 95 12.375 2.205 12.565 1.00 42.22 C ATOM 554 O SER A 95 11.427 2.131 11.771 1.00 54.23 O ATOM 555 CB SER A 95 11.147 3.788 14.125 1.00 71.31 C ATOM 556 OG SER A 95 11.252 4.922 14.959 1.00 44.13 O ATOM 0 H SER A 95 12.438 5.292 12.560 1.00 22.13 H new ATOM 0 HA SER A 95 13.189 3.135 14.326 1.00 54.00 H new ATOM 0 HB2 SER A 95 10.432 3.985 13.327 1.00 71.31 H new ATOM 0 HB3 SER A 95 10.760 2.946 14.699 1.00 71.31 H new ATOM 0 HG SER A 95 10.371 5.137 15.331 1.00 44.13 H new ATOM 562 N LYS A 96 13.359 1.281 12.647 1.00 13.03 N ATOM 563 CA LYS A 96 13.373 0.012 11.878 1.00 11.32 C ATOM 564 C LYS A 96 12.291 -0.969 12.354 1.00 53.11 C ATOM 565 O LYS A 96 11.877 -1.859 11.594 1.00 61.25 O ATOM 566 CB LYS A 96 14.777 -0.644 11.925 1.00 32.11 C ATOM 567 CG LYS A 96 15.358 -0.855 13.339 1.00 24.53 C ATOM 568 CD LYS A 96 16.717 -1.596 13.322 1.00 10.31 C ATOM 569 CE LYS A 96 17.240 -1.877 14.739 1.00 43.30 C ATOM 570 NZ LYS A 96 16.322 -2.760 15.512 1.00 23.43 N ATOM 0 H LYS A 96 14.172 1.394 13.252 1.00 13.03 H new ATOM 0 HA LYS A 96 13.142 0.261 10.842 1.00 11.32 H new ATOM 0 HB2 LYS A 96 14.726 -1.610 11.423 1.00 32.11 H new ATOM 0 HB3 LYS A 96 15.469 -0.025 11.354 1.00 32.11 H new ATOM 0 HG2 LYS A 96 15.483 0.113 13.824 1.00 24.53 H new ATOM 0 HG3 LYS A 96 14.647 -1.423 13.939 1.00 24.53 H new ATOM 0 HD2 LYS A 96 16.610 -2.537 12.783 1.00 10.31 H new ATOM 0 HD3 LYS A 96 17.448 -0.998 12.778 1.00 10.31 H new ATOM 0 HE2 LYS A 96 18.223 -2.344 14.676 1.00 43.30 H new ATOM 0 HE3 LYS A 96 17.368 -0.934 15.271 1.00 43.30 H new ATOM 0 HZ1 LYS A 96 16.801 -3.088 16.375 1.00 23.43 H new ATOM 0 HZ2 LYS A 96 15.466 -2.229 15.771 1.00 23.43 H new ATOM 0 HZ3 LYS A 96 16.058 -3.580 14.930 1.00 23.43 H new ATOM 584 N SER A 97 11.835 -0.798 13.610 1.00 72.14 N ATOM 585 CA SER A 97 10.749 -1.611 14.169 1.00 61.13 C ATOM 586 C SER A 97 9.426 -1.313 13.436 1.00 55.24 C ATOM 587 O SER A 97 8.666 -2.227 13.135 1.00 64.44 O ATOM 588 CB SER A 97 10.593 -1.369 15.686 1.00 32.55 C ATOM 589 OG SER A 97 11.806 -1.621 16.371 1.00 43.42 O ATOM 0 H SER A 97 12.207 -0.100 14.255 1.00 72.14 H new ATOM 0 HA SER A 97 11.003 -2.661 14.023 1.00 61.13 H new ATOM 0 HB2 SER A 97 10.279 -0.340 15.863 1.00 32.55 H new ATOM 0 HB3 SER A 97 9.808 -2.014 16.081 1.00 32.55 H new ATOM 0 HG SER A 97 11.680 -1.459 17.329 1.00 43.42 H new ATOM 595 N ALA A 98 9.188 -0.016 13.143 1.00 33.15 N ATOM 596 CA ALA A 98 7.998 0.461 12.412 1.00 4.04 C ATOM 597 C ALA A 98 8.110 0.194 10.906 1.00 0.13 C ATOM 598 O ALA A 98 7.102 -0.070 10.233 1.00 74.23 O ATOM 599 CB ALA A 98 7.799 1.948 12.682 1.00 75.31 C ATOM 0 H ALA A 98 9.824 0.735 13.411 1.00 33.15 H new ATOM 0 HA ALA A 98 7.130 -0.093 12.771 1.00 4.04 H new ATOM 0 HB1 ALA A 98 6.920 2.301 12.142 1.00 75.31 H new ATOM 0 HB2 ALA A 98 7.657 2.108 13.751 1.00 75.31 H new ATOM 0 HB3 ALA A 98 8.677 2.500 12.346 1.00 75.31 H new ATOM 605 N MET A 99 9.357 0.265 10.397 1.00 44.52 N ATOM 606 CA MET A 99 9.691 -0.055 8.994 1.00 61.34 C ATOM 607 C MET A 99 9.241 -1.484 8.627 1.00 32.15 C ATOM 608 O MET A 99 8.857 -1.744 7.494 1.00 25.53 O ATOM 609 CB MET A 99 11.212 0.109 8.760 1.00 32.42 C ATOM 610 CG MET A 99 11.671 -0.124 7.316 1.00 10.10 C ATOM 611 SD MET A 99 13.461 -0.136 7.151 1.00 43.12 S ATOM 612 CE MET A 99 13.911 -1.528 8.191 1.00 30.33 C ATOM 0 H MET A 99 10.165 0.548 10.951 1.00 44.52 H new ATOM 0 HA MET A 99 9.155 0.641 8.348 1.00 61.34 H new ATOM 0 HB2 MET A 99 11.505 1.115 9.061 1.00 32.42 H new ATOM 0 HB3 MET A 99 11.742 -0.586 9.411 1.00 32.42 H new ATOM 0 HG2 MET A 99 11.271 -1.074 6.961 1.00 10.10 H new ATOM 0 HG3 MET A 99 11.256 0.656 6.677 1.00 10.10 H new ATOM 0 HE1 MET A 99 14.868 -1.934 7.862 1.00 30.33 H new ATOM 0 HE2 MET A 99 13.994 -1.197 9.226 1.00 30.33 H new ATOM 0 HE3 MET A 99 13.145 -2.300 8.117 1.00 30.33 H new ATOM 622 N GLU A 100 9.255 -2.380 9.628 1.00 2.22 N ATOM 623 CA GLU A 100 8.821 -3.778 9.480 1.00 24.13 C ATOM 624 C GLU A 100 7.328 -3.871 9.093 1.00 61.43 C ATOM 625 O GLU A 100 6.963 -4.701 8.275 1.00 43.54 O ATOM 626 CB GLU A 100 9.098 -4.553 10.793 1.00 14.51 C ATOM 627 CG GLU A 100 8.679 -6.032 10.760 1.00 24.11 C ATOM 628 CD GLU A 100 8.932 -6.750 12.087 1.00 10.42 C ATOM 629 OE1 GLU A 100 8.092 -6.631 13.002 1.00 33.54 O ATOM 630 OE2 GLU A 100 9.968 -7.433 12.228 1.00 70.05 O ATOM 0 H GLU A 100 9.571 -2.152 10.571 1.00 2.22 H new ATOM 0 HA GLU A 100 9.393 -4.231 8.670 1.00 24.13 H new ATOM 0 HB2 GLU A 100 10.163 -4.495 11.017 1.00 14.51 H new ATOM 0 HB3 GLU A 100 8.573 -4.058 11.610 1.00 14.51 H new ATOM 0 HG2 GLU A 100 7.620 -6.099 10.512 1.00 24.11 H new ATOM 0 HG3 GLU A 100 9.225 -6.542 9.966 1.00 24.11 H new ATOM 637 N ARG A 101 6.493 -2.973 9.645 1.00 72.55 N ATOM 638 CA ARG A 101 5.032 -2.968 9.377 1.00 43.13 C ATOM 639 C ARG A 101 4.763 -2.357 7.997 1.00 31.22 C ATOM 640 O ARG A 101 3.792 -2.721 7.328 1.00 11.43 O ATOM 641 CB ARG A 101 4.217 -2.157 10.426 1.00 11.02 C ATOM 642 CG ARG A 101 4.253 -2.646 11.896 1.00 21.05 C ATOM 643 CD ARG A 101 5.609 -2.432 12.580 1.00 54.13 C ATOM 644 NE ARG A 101 5.566 -2.666 14.033 1.00 32.21 N ATOM 645 CZ ARG A 101 5.481 -1.706 14.967 1.00 0.02 C ATOM 646 NH1 ARG A 101 5.416 -0.420 14.625 1.00 75.52 N ATOM 647 NH2 ARG A 101 5.476 -2.031 16.245 1.00 72.15 N ATOM 0 H ARG A 101 6.800 -2.237 10.282 1.00 72.55 H new ATOM 0 HA ARG A 101 4.709 -4.008 9.429 1.00 43.13 H new ATOM 0 HB2 ARG A 101 4.574 -1.127 10.406 1.00 11.02 H new ATOM 0 HB3 ARG A 101 3.176 -2.140 10.103 1.00 11.02 H new ATOM 0 HG2 ARG A 101 3.483 -2.123 12.463 1.00 21.05 H new ATOM 0 HG3 ARG A 101 4.005 -3.707 11.924 1.00 21.05 H new ATOM 0 HD2 ARG A 101 6.345 -3.100 12.132 1.00 54.13 H new ATOM 0 HD3 ARG A 101 5.947 -1.413 12.392 1.00 54.13 H new ATOM 0 HE ARG A 101 5.604 -3.633 14.355 1.00 32.21 H new ATOM 0 HH11 ARG A 101 5.430 -0.153 13.641 1.00 75.52 H new ATOM 0 HH12 ARG A 101 5.352 0.297 15.347 1.00 75.52 H new ATOM 0 HH21 ARG A 101 5.537 -3.011 16.522 1.00 72.15 H new ATOM 0 HH22 ARG A 101 5.411 -1.303 16.956 1.00 72.15 H new ATOM 661 N LEU A 102 5.627 -1.403 7.613 1.00 63.23 N ATOM 662 CA LEU A 102 5.545 -0.692 6.333 1.00 1.34 C ATOM 663 C LEU A 102 5.881 -1.646 5.165 1.00 11.12 C ATOM 664 O LEU A 102 5.105 -1.759 4.210 1.00 23.44 O ATOM 665 CB LEU A 102 6.501 0.536 6.392 1.00 1.43 C ATOM 666 CG LEU A 102 6.565 1.468 5.139 1.00 25.44 C ATOM 667 CD1 LEU A 102 5.172 1.925 4.677 1.00 65.25 C ATOM 668 CD2 LEU A 102 7.474 2.679 5.419 1.00 12.41 C ATOM 0 H LEU A 102 6.411 -1.102 8.192 1.00 63.23 H new ATOM 0 HA LEU A 102 4.531 -0.333 6.156 1.00 1.34 H new ATOM 0 HB2 LEU A 102 6.212 1.145 7.249 1.00 1.43 H new ATOM 0 HB3 LEU A 102 7.508 0.168 6.588 1.00 1.43 H new ATOM 0 HG LEU A 102 6.992 0.885 4.323 1.00 25.44 H new ATOM 0 HD11 LEU A 102 5.272 2.570 3.804 1.00 65.25 H new ATOM 0 HD12 LEU A 102 4.571 1.054 4.418 1.00 65.25 H new ATOM 0 HD13 LEU A 102 4.684 2.476 5.481 1.00 65.25 H new ATOM 0 HD21 LEU A 102 7.509 3.319 4.538 1.00 12.41 H new ATOM 0 HD22 LEU A 102 7.078 3.244 6.262 1.00 12.41 H new ATOM 0 HD23 LEU A 102 8.480 2.332 5.655 1.00 12.41 H new ATOM 680 N LYS A 103 7.036 -2.332 5.269 1.00 63.52 N ATOM 681 CA LYS A 103 7.471 -3.373 4.311 1.00 24.14 C ATOM 682 C LYS A 103 6.464 -4.526 4.233 1.00 35.42 C ATOM 683 O LYS A 103 6.007 -4.876 3.142 1.00 43.31 O ATOM 684 CB LYS A 103 8.871 -3.912 4.700 1.00 24.30 C ATOM 685 CG LYS A 103 9.978 -2.837 4.727 1.00 52.22 C ATOM 686 CD LYS A 103 11.339 -3.398 5.194 1.00 42.43 C ATOM 687 CE LYS A 103 11.903 -4.461 4.241 1.00 2.15 C ATOM 688 NZ LYS A 103 13.184 -5.034 4.741 1.00 32.11 N ATOM 0 H LYS A 103 7.701 -2.179 6.027 1.00 63.52 H new ATOM 0 HA LYS A 103 7.526 -2.911 3.325 1.00 24.14 H new ATOM 0 HB2 LYS A 103 8.808 -4.378 5.684 1.00 24.30 H new ATOM 0 HB3 LYS A 103 9.156 -4.693 3.995 1.00 24.30 H new ATOM 0 HG2 LYS A 103 10.088 -2.409 3.731 1.00 52.22 H new ATOM 0 HG3 LYS A 103 9.676 -2.027 5.390 1.00 52.22 H new ATOM 0 HD2 LYS A 103 12.053 -2.579 5.282 1.00 42.43 H new ATOM 0 HD3 LYS A 103 11.227 -3.831 6.188 1.00 42.43 H new ATOM 0 HE2 LYS A 103 11.172 -5.260 4.116 1.00 2.15 H new ATOM 0 HE3 LYS A 103 12.063 -4.019 3.258 1.00 2.15 H new ATOM 0 HZ1 LYS A 103 13.531 -5.747 4.069 1.00 32.11 H new ATOM 0 HZ2 LYS A 103 13.890 -4.276 4.836 1.00 32.11 H new ATOM 0 HZ3 LYS A 103 13.027 -5.479 5.668 1.00 32.11 H new ATOM 702 N ARG A 104 6.114 -5.092 5.406 1.00 22.44 N ATOM 703 CA ARG A 104 5.096 -6.162 5.518 1.00 4.12 C ATOM 704 C ARG A 104 3.754 -5.709 4.936 1.00 10.34 C ATOM 705 O ARG A 104 2.986 -6.524 4.424 1.00 12.12 O ATOM 706 CB ARG A 104 4.906 -6.555 6.999 1.00 4.25 C ATOM 707 CG ARG A 104 3.876 -7.669 7.251 1.00 23.12 C ATOM 708 CD ARG A 104 3.702 -7.978 8.739 1.00 45.10 C ATOM 709 NE ARG A 104 2.593 -8.910 8.989 1.00 10.21 N ATOM 710 CZ ARG A 104 1.555 -8.677 9.803 1.00 31.34 C ATOM 711 NH1 ARG A 104 1.449 -7.516 10.451 1.00 44.33 N ATOM 712 NH2 ARG A 104 0.633 -9.610 9.985 1.00 45.23 N ATOM 0 H ARG A 104 6.526 -4.823 6.300 1.00 22.44 H new ATOM 0 HA ARG A 104 5.448 -7.023 4.950 1.00 4.12 H new ATOM 0 HB2 ARG A 104 5.868 -6.873 7.401 1.00 4.25 H new ATOM 0 HB3 ARG A 104 4.604 -5.669 7.558 1.00 4.25 H new ATOM 0 HG2 ARG A 104 2.915 -7.374 6.829 1.00 23.12 H new ATOM 0 HG3 ARG A 104 4.188 -8.574 6.729 1.00 23.12 H new ATOM 0 HD2 ARG A 104 4.626 -8.403 9.130 1.00 45.10 H new ATOM 0 HD3 ARG A 104 3.523 -7.050 9.282 1.00 45.10 H new ATOM 0 HE ARG A 104 2.616 -9.807 8.503 1.00 10.21 H new ATOM 0 HH11 ARG A 104 2.162 -6.797 10.329 1.00 44.33 H new ATOM 0 HH12 ARG A 104 0.655 -7.347 11.069 1.00 44.33 H new ATOM 0 HH21 ARG A 104 0.713 -10.507 9.505 1.00 45.23 H new ATOM 0 HH22 ARG A 104 -0.157 -9.432 10.605 1.00 45.23 H new ATOM 726 N GLY A 105 3.495 -4.395 5.038 1.00 64.35 N ATOM 727 CA GLY A 105 2.329 -3.779 4.443 1.00 11.22 C ATOM 728 C GLY A 105 2.269 -3.988 2.942 1.00 51.44 C ATOM 729 O GLY A 105 1.213 -4.283 2.420 1.00 11.11 O ATOM 0 H GLY A 105 4.097 -3.741 5.539 1.00 64.35 H new ATOM 0 HA2 GLY A 105 1.430 -4.191 4.901 1.00 11.22 H new ATOM 0 HA3 GLY A 105 2.336 -2.711 4.659 1.00 11.22 H new ATOM 733 N ILE A 106 3.421 -3.859 2.257 1.00 65.01 N ATOM 734 CA ILE A 106 3.521 -4.150 0.812 1.00 72.04 C ATOM 735 C ILE A 106 3.288 -5.654 0.524 1.00 23.33 C ATOM 736 O ILE A 106 2.586 -5.983 -0.421 1.00 62.04 O ATOM 737 CB ILE A 106 4.898 -3.642 0.185 1.00 55.42 C ATOM 738 CG1 ILE A 106 4.839 -2.115 -0.165 1.00 10.15 C ATOM 739 CG2 ILE A 106 5.342 -4.459 -1.069 1.00 4.10 C ATOM 740 CD1 ILE A 106 4.664 -1.167 0.998 1.00 42.14 C ATOM 0 H ILE A 106 4.297 -3.555 2.681 1.00 65.01 H new ATOM 0 HA ILE A 106 2.727 -3.589 0.320 1.00 72.04 H new ATOM 0 HB ILE A 106 5.649 -3.804 0.958 1.00 55.42 H new ATOM 0 HG12 ILE A 106 5.757 -1.848 -0.688 1.00 10.15 H new ATOM 0 HG13 ILE A 106 4.017 -1.956 -0.863 1.00 10.15 H new ATOM 0 HG21 ILE A 106 6.285 -4.063 -1.446 1.00 4.10 H new ATOM 0 HG22 ILE A 106 5.472 -5.506 -0.794 1.00 4.10 H new ATOM 0 HG23 ILE A 106 4.579 -4.380 -1.844 1.00 4.10 H new ATOM 0 HD11 ILE A 106 4.638 -0.141 0.630 1.00 42.14 H new ATOM 0 HD12 ILE A 106 3.730 -1.392 1.513 1.00 42.14 H new ATOM 0 HD13 ILE A 106 5.498 -1.283 1.691 1.00 42.14 H new ATOM 752 N ILE A 107 3.850 -6.556 1.357 1.00 30.10 N ATOM 753 CA ILE A 107 3.681 -8.021 1.173 1.00 51.51 C ATOM 754 C ILE A 107 2.181 -8.405 1.312 1.00 14.33 C ATOM 755 O ILE A 107 1.619 -9.104 0.454 1.00 43.55 O ATOM 756 CB ILE A 107 4.583 -8.853 2.187 1.00 42.45 C ATOM 757 CG1 ILE A 107 6.093 -8.870 1.750 1.00 22.35 C ATOM 758 CG2 ILE A 107 4.071 -10.313 2.345 1.00 63.40 C ATOM 759 CD1 ILE A 107 6.810 -7.527 1.729 1.00 51.11 C ATOM 0 H ILE A 107 4.423 -6.301 2.161 1.00 30.10 H new ATOM 0 HA ILE A 107 4.017 -8.276 0.168 1.00 51.51 H new ATOM 0 HB ILE A 107 4.506 -8.348 3.150 1.00 42.45 H new ATOM 0 HG12 ILE A 107 6.635 -9.535 2.422 1.00 22.35 H new ATOM 0 HG13 ILE A 107 6.154 -9.305 0.752 1.00 22.35 H new ATOM 0 HG21 ILE A 107 4.712 -10.850 3.045 1.00 63.40 H new ATOM 0 HG22 ILE A 107 3.049 -10.301 2.725 1.00 63.40 H new ATOM 0 HG23 ILE A 107 4.093 -10.813 1.377 1.00 63.40 H new ATOM 0 HD11 ILE A 107 7.843 -7.671 1.412 1.00 51.11 H new ATOM 0 HD12 ILE A 107 6.307 -6.857 1.032 1.00 51.11 H new ATOM 0 HD13 ILE A 107 6.795 -7.091 2.728 1.00 51.11 H new ATOM 771 N HIS A 108 1.542 -7.875 2.365 1.00 32.11 N ATOM 772 CA HIS A 108 0.150 -8.203 2.705 1.00 23.33 C ATOM 773 C HIS A 108 -0.815 -7.546 1.707 1.00 43.42 C ATOM 774 O HIS A 108 -1.759 -8.190 1.250 1.00 30.34 O ATOM 775 CB HIS A 108 -0.185 -7.775 4.159 1.00 24.10 C ATOM 776 CG HIS A 108 -1.540 -8.245 4.648 1.00 63.42 C ATOM 777 ND1 HIS A 108 -2.234 -7.618 5.656 1.00 22.12 N ATOM 778 CD2 HIS A 108 -2.312 -9.304 4.277 1.00 10.55 C ATOM 779 CE1 HIS A 108 -3.359 -8.262 5.884 1.00 13.12 C ATOM 780 NE2 HIS A 108 -3.429 -9.286 5.062 1.00 15.51 N ATOM 0 H HIS A 108 1.975 -7.208 3.004 1.00 32.11 H new ATOM 0 HA HIS A 108 0.030 -9.284 2.640 1.00 23.33 H new ATOM 0 HB2 HIS A 108 0.584 -8.163 4.826 1.00 24.10 H new ATOM 0 HB3 HIS A 108 -0.145 -6.688 4.224 1.00 24.10 H new ATOM 0 HD2 HIS A 108 -2.083 -10.024 3.505 1.00 10.55 H new ATOM 0 HE1 HIS A 108 -4.100 -7.994 6.622 1.00 13.12 H new ATOM 0 HE2 HIS A 108 -4.195 -9.959 5.018 1.00 15.51 H new ATOM 789 N ALA A 109 -0.551 -6.276 1.358 1.00 1.41 N ATOM 790 CA ALA A 109 -1.389 -5.524 0.407 1.00 61.42 C ATOM 791 C ALA A 109 -1.307 -6.137 -0.993 1.00 42.32 C ATOM 792 O ALA A 109 -2.328 -6.285 -1.655 1.00 1.42 O ATOM 793 CB ALA A 109 -1.007 -4.039 0.377 1.00 61.13 C ATOM 0 H ALA A 109 0.240 -5.746 1.722 1.00 1.41 H new ATOM 0 HA ALA A 109 -2.422 -5.592 0.750 1.00 61.42 H new ATOM 0 HB1 ALA A 109 -1.644 -3.514 -0.334 1.00 61.13 H new ATOM 0 HB2 ALA A 109 -1.140 -3.609 1.370 1.00 61.13 H new ATOM 0 HB3 ALA A 109 0.035 -3.937 0.074 1.00 61.13 H new ATOM 799 N ARG A 110 -0.084 -6.540 -1.401 1.00 11.42 N ATOM 800 CA ARG A 110 0.156 -7.235 -2.686 1.00 31.53 C ATOM 801 C ARG A 110 -0.693 -8.504 -2.766 1.00 44.44 C ATOM 802 O ARG A 110 -1.302 -8.785 -3.794 1.00 13.44 O ATOM 803 CB ARG A 110 1.659 -7.630 -2.832 1.00 11.12 C ATOM 804 CG ARG A 110 1.976 -8.550 -4.045 1.00 23.53 C ATOM 805 CD ARG A 110 3.349 -9.242 -3.958 1.00 61.33 C ATOM 806 NE ARG A 110 3.458 -10.325 -4.956 1.00 63.00 N ATOM 807 CZ ARG A 110 3.758 -11.611 -4.696 1.00 34.20 C ATOM 808 NH1 ARG A 110 3.995 -12.022 -3.455 1.00 52.20 N ATOM 809 NH2 ARG A 110 3.799 -12.487 -5.692 1.00 34.40 N ATOM 0 H ARG A 110 0.763 -6.394 -0.851 1.00 11.42 H new ATOM 0 HA ARG A 110 -0.117 -6.552 -3.490 1.00 31.53 H new ATOM 0 HB2 ARG A 110 2.253 -6.720 -2.919 1.00 11.12 H new ATOM 0 HB3 ARG A 110 1.978 -8.133 -1.919 1.00 11.12 H new ATOM 0 HG2 ARG A 110 1.200 -9.311 -4.124 1.00 23.53 H new ATOM 0 HG3 ARG A 110 1.935 -7.957 -4.959 1.00 23.53 H new ATOM 0 HD2 ARG A 110 4.140 -8.510 -4.122 1.00 61.33 H new ATOM 0 HD3 ARG A 110 3.493 -9.649 -2.957 1.00 61.33 H new ATOM 0 HE ARG A 110 3.291 -10.076 -5.931 1.00 63.00 H new ATOM 0 HH11 ARG A 110 3.951 -11.359 -2.681 1.00 52.20 H new ATOM 0 HH12 ARG A 110 4.221 -13.000 -3.276 1.00 52.20 H new ATOM 0 HH21 ARG A 110 3.604 -12.184 -6.646 1.00 34.40 H new ATOM 0 HH22 ARG A 110 4.026 -13.463 -5.503 1.00 34.40 H new ATOM 823 N ALA A 111 -0.740 -9.234 -1.639 1.00 73.01 N ATOM 824 CA ALA A 111 -1.431 -10.518 -1.547 1.00 24.25 C ATOM 825 C ALA A 111 -2.946 -10.322 -1.676 1.00 14.21 C ATOM 826 O ALA A 111 -3.602 -11.034 -2.426 1.00 22.24 O ATOM 827 CB ALA A 111 -1.070 -11.202 -0.225 1.00 23.01 C ATOM 0 H ALA A 111 -0.297 -8.944 -0.767 1.00 73.01 H new ATOM 0 HA ALA A 111 -1.111 -11.160 -2.368 1.00 24.25 H new ATOM 0 HB1 ALA A 111 -1.586 -12.160 -0.158 1.00 23.01 H new ATOM 0 HB2 ALA A 111 0.007 -11.366 -0.183 1.00 23.01 H new ATOM 0 HB3 ALA A 111 -1.373 -10.567 0.608 1.00 23.01 H new ATOM 833 N LEU A 112 -3.466 -9.291 -0.981 1.00 22.22 N ATOM 834 CA LEU A 112 -4.903 -8.948 -0.977 1.00 71.22 C ATOM 835 C LEU A 112 -5.387 -8.514 -2.376 1.00 23.11 C ATOM 836 O LEU A 112 -6.495 -8.865 -2.787 1.00 42.11 O ATOM 837 CB LEU A 112 -5.182 -7.838 0.074 1.00 31.41 C ATOM 838 CG LEU A 112 -4.957 -8.255 1.566 1.00 60.21 C ATOM 839 CD1 LEU A 112 -4.953 -7.030 2.497 1.00 64.21 C ATOM 840 CD2 LEU A 112 -6.006 -9.298 2.025 1.00 53.52 C ATOM 0 H LEU A 112 -2.899 -8.670 -0.404 1.00 22.22 H new ATOM 0 HA LEU A 112 -5.464 -9.842 -0.704 1.00 71.22 H new ATOM 0 HB2 LEU A 112 -4.543 -6.983 -0.147 1.00 31.41 H new ATOM 0 HB3 LEU A 112 -6.213 -7.503 -0.041 1.00 31.41 H new ATOM 0 HG LEU A 112 -3.974 -8.722 1.628 1.00 60.21 H new ATOM 0 HD11 LEU A 112 -4.795 -7.355 3.525 1.00 64.21 H new ATOM 0 HD12 LEU A 112 -4.152 -6.352 2.203 1.00 64.21 H new ATOM 0 HD13 LEU A 112 -5.910 -6.514 2.423 1.00 64.21 H new ATOM 0 HD21 LEU A 112 -5.821 -9.566 3.065 1.00 53.52 H new ATOM 0 HD22 LEU A 112 -7.006 -8.874 1.931 1.00 53.52 H new ATOM 0 HD23 LEU A 112 -5.930 -10.189 1.402 1.00 53.52 H new ATOM 852 N VAL A 113 -4.537 -7.768 -3.106 1.00 44.11 N ATOM 853 CA VAL A 113 -4.830 -7.351 -4.490 1.00 11.50 C ATOM 854 C VAL A 113 -4.774 -8.570 -5.438 1.00 43.23 C ATOM 855 O VAL A 113 -5.674 -8.766 -6.255 1.00 72.30 O ATOM 856 CB VAL A 113 -3.849 -6.223 -4.997 1.00 55.31 C ATOM 857 CG1 VAL A 113 -4.196 -5.771 -6.436 1.00 53.54 C ATOM 858 CG2 VAL A 113 -3.847 -5.016 -4.035 1.00 52.32 C ATOM 0 H VAL A 113 -3.636 -7.440 -2.757 1.00 44.11 H new ATOM 0 HA VAL A 113 -5.836 -6.932 -4.494 1.00 11.50 H new ATOM 0 HB VAL A 113 -2.846 -6.650 -5.014 1.00 55.31 H new ATOM 0 HG11 VAL A 113 -3.500 -4.994 -6.751 1.00 53.54 H new ATOM 0 HG12 VAL A 113 -4.121 -6.622 -7.113 1.00 53.54 H new ATOM 0 HG13 VAL A 113 -5.213 -5.378 -6.459 1.00 53.54 H new ATOM 0 HG21 VAL A 113 -3.163 -4.254 -4.409 1.00 52.32 H new ATOM 0 HG22 VAL A 113 -4.853 -4.600 -3.971 1.00 52.32 H new ATOM 0 HG23 VAL A 113 -3.524 -5.340 -3.046 1.00 52.32 H new ATOM 868 N ARG A 114 -3.730 -9.405 -5.254 1.00 51.33 N ATOM 869 CA ARG A 114 -3.448 -10.595 -6.093 1.00 73.21 C ATOM 870 C ARG A 114 -4.621 -11.598 -6.009 1.00 50.31 C ATOM 871 O ARG A 114 -5.035 -12.174 -7.025 1.00 54.31 O ATOM 872 CB ARG A 114 -2.091 -11.239 -5.640 1.00 22.14 C ATOM 873 CG ARG A 114 -1.422 -12.245 -6.620 1.00 21.14 C ATOM 874 CD ARG A 114 -2.092 -13.629 -6.686 1.00 13.13 C ATOM 875 NE ARG A 114 -2.076 -14.317 -5.380 1.00 21.13 N ATOM 876 CZ ARG A 114 -3.036 -15.133 -4.897 1.00 44.12 C ATOM 877 NH1 ARG A 114 -4.135 -15.398 -5.602 1.00 4.42 N ATOM 878 NH2 ARG A 114 -2.878 -15.693 -3.697 1.00 24.22 N ATOM 0 H ARG A 114 -3.047 -9.272 -4.508 1.00 51.33 H new ATOM 0 HA ARG A 114 -3.351 -10.300 -7.138 1.00 73.21 H new ATOM 0 HB2 ARG A 114 -1.382 -10.434 -5.446 1.00 22.14 H new ATOM 0 HB3 ARG A 114 -2.259 -11.751 -4.692 1.00 22.14 H new ATOM 0 HG2 ARG A 114 -1.421 -11.810 -7.619 1.00 21.14 H new ATOM 0 HG3 ARG A 114 -0.380 -12.376 -6.328 1.00 21.14 H new ATOM 0 HD2 ARG A 114 -3.122 -13.517 -7.023 1.00 13.13 H new ATOM 0 HD3 ARG A 114 -1.580 -14.244 -7.426 1.00 13.13 H new ATOM 0 HE ARG A 114 -1.262 -14.161 -4.786 1.00 21.13 H new ATOM 0 HH11 ARG A 114 -4.262 -14.981 -6.524 1.00 4.42 H new ATOM 0 HH12 ARG A 114 -4.849 -16.018 -5.219 1.00 4.42 H new ATOM 0 HH21 ARG A 114 -2.037 -15.503 -3.152 1.00 24.22 H new ATOM 0 HH22 ARG A 114 -3.598 -16.311 -3.324 1.00 24.22 H new ATOM 1319 N THR B 75 -5.116 -4.066 -11.640 1.00 11.42 N ATOM 1320 CA THR B 75 -3.708 -4.500 -11.712 1.00 61.45 C ATOM 1321 C THR B 75 -2.758 -3.294 -11.477 1.00 45.14 C ATOM 1322 O THR B 75 -1.620 -3.470 -11.012 1.00 41.23 O ATOM 1323 CB THR B 75 -3.402 -5.200 -13.076 1.00 44.50 C ATOM 1324 OG1 THR B 75 -4.246 -6.355 -13.220 1.00 11.02 O ATOM 1325 CG2 THR B 75 -1.933 -5.643 -13.201 1.00 33.44 C ATOM 0 HA THR B 75 -3.535 -5.231 -10.923 1.00 61.45 H new ATOM 0 HB THR B 75 -3.597 -4.469 -13.861 1.00 44.50 H new ATOM 0 HG1 THR B 75 -5.132 -6.161 -12.848 1.00 11.02 H new ATOM 0 HG21 THR B 75 -1.779 -6.123 -14.168 1.00 33.44 H new ATOM 0 HG22 THR B 75 -1.282 -4.772 -13.120 1.00 33.44 H new ATOM 0 HG23 THR B 75 -1.697 -6.348 -12.404 1.00 33.44 H new ATOM 1333 N ASP B 76 -3.264 -2.069 -11.772 1.00 31.44 N ATOM 1334 CA ASP B 76 -2.568 -0.809 -11.445 1.00 12.51 C ATOM 1335 C ASP B 76 -2.289 -0.729 -9.938 1.00 64.45 C ATOM 1336 O ASP B 76 -1.203 -0.345 -9.537 1.00 3.14 O ATOM 1337 CB ASP B 76 -3.384 0.433 -11.901 1.00 54.00 C ATOM 1338 CG ASP B 76 -2.607 1.751 -11.707 1.00 33.33 C ATOM 1339 OD1 ASP B 76 -1.694 2.015 -12.511 1.00 14.51 O ATOM 1340 OD2 ASP B 76 -2.892 2.526 -10.765 1.00 43.50 O ATOM 0 H ASP B 76 -4.160 -1.933 -12.240 1.00 31.44 H new ATOM 0 HA ASP B 76 -1.622 -0.806 -11.987 1.00 12.51 H new ATOM 0 HB2 ASP B 76 -3.651 0.323 -12.952 1.00 54.00 H new ATOM 0 HB3 ASP B 76 -4.317 0.478 -11.339 1.00 54.00 H new ATOM 1345 N LEU B 77 -3.275 -1.159 -9.121 1.00 22.34 N ATOM 1346 CA LEU B 77 -3.148 -1.183 -7.652 1.00 74.22 C ATOM 1347 C LEU B 77 -2.018 -2.132 -7.211 1.00 30.35 C ATOM 1348 O LEU B 77 -1.199 -1.756 -6.372 1.00 73.34 O ATOM 1349 CB LEU B 77 -4.494 -1.574 -6.977 1.00 72.21 C ATOM 1350 CG LEU B 77 -4.492 -1.635 -5.410 1.00 64.31 C ATOM 1351 CD1 LEU B 77 -3.930 -0.346 -4.777 1.00 20.12 C ATOM 1352 CD2 LEU B 77 -5.902 -1.940 -4.868 1.00 52.43 C ATOM 0 H LEU B 77 -4.175 -1.497 -9.461 1.00 22.34 H new ATOM 0 HA LEU B 77 -2.890 -0.175 -7.325 1.00 74.22 H new ATOM 0 HB2 LEU B 77 -5.255 -0.859 -7.291 1.00 72.21 H new ATOM 0 HB3 LEU B 77 -4.797 -2.550 -7.357 1.00 72.21 H new ATOM 0 HG LEU B 77 -3.827 -2.450 -5.124 1.00 64.31 H new ATOM 0 HD11 LEU B 77 -3.949 -0.436 -3.691 1.00 20.12 H new ATOM 0 HD12 LEU B 77 -2.903 -0.194 -5.111 1.00 20.12 H new ATOM 0 HD13 LEU B 77 -4.540 0.505 -5.081 1.00 20.12 H new ATOM 0 HD21 LEU B 77 -5.873 -1.977 -3.779 1.00 52.43 H new ATOM 0 HD22 LEU B 77 -6.591 -1.158 -5.186 1.00 52.43 H new ATOM 0 HD23 LEU B 77 -6.240 -2.901 -5.255 1.00 52.43 H new ATOM 1364 N LEU B 78 -1.959 -3.331 -7.829 1.00 33.03 N ATOM 1365 CA LEU B 78 -0.897 -4.333 -7.567 1.00 4.52 C ATOM 1366 C LEU B 78 0.496 -3.732 -7.860 1.00 24.02 C ATOM 1367 O LEU B 78 1.479 -4.006 -7.150 1.00 2.52 O ATOM 1368 CB LEU B 78 -1.135 -5.594 -8.447 1.00 2.01 C ATOM 1369 CG LEU B 78 -0.229 -6.830 -8.146 1.00 34.43 C ATOM 1370 CD1 LEU B 78 -0.441 -7.354 -6.707 1.00 34.33 C ATOM 1371 CD2 LEU B 78 -0.459 -7.946 -9.184 1.00 64.32 C ATOM 0 H LEU B 78 -2.643 -3.634 -8.522 1.00 33.03 H new ATOM 0 HA LEU B 78 -0.934 -4.620 -6.516 1.00 4.52 H new ATOM 0 HB2 LEU B 78 -2.176 -5.898 -8.335 1.00 2.01 H new ATOM 0 HB3 LEU B 78 -0.995 -5.314 -9.491 1.00 2.01 H new ATOM 0 HG LEU B 78 0.808 -6.505 -8.223 1.00 34.43 H new ATOM 0 HD11 LEU B 78 0.206 -8.214 -6.534 1.00 34.33 H new ATOM 0 HD12 LEU B 78 -0.197 -6.567 -5.994 1.00 34.33 H new ATOM 0 HD13 LEU B 78 -1.482 -7.651 -6.578 1.00 34.33 H new ATOM 0 HD21 LEU B 78 0.183 -8.796 -8.953 1.00 64.32 H new ATOM 0 HD22 LEU B 78 -1.502 -8.261 -9.155 1.00 64.32 H new ATOM 0 HD23 LEU B 78 -0.221 -7.572 -10.180 1.00 64.32 H new ATOM 1383 N SER B 79 0.536 -2.882 -8.906 1.00 53.34 N ATOM 1384 CA SER B 79 1.739 -2.146 -9.309 1.00 3.12 C ATOM 1385 C SER B 79 2.157 -1.118 -8.243 1.00 54.10 C ATOM 1386 O SER B 79 3.323 -1.082 -7.847 1.00 73.01 O ATOM 1387 CB SER B 79 1.506 -1.452 -10.667 1.00 35.22 C ATOM 1388 OG SER B 79 1.010 -2.372 -11.626 1.00 15.50 O ATOM 0 H SER B 79 -0.274 -2.690 -9.495 1.00 53.34 H new ATOM 0 HA SER B 79 2.553 -2.863 -9.411 1.00 3.12 H new ATOM 0 HB2 SER B 79 0.799 -0.632 -10.544 1.00 35.22 H new ATOM 0 HB3 SER B 79 2.440 -1.017 -11.023 1.00 35.22 H new ATOM 0 HG SER B 79 0.085 -2.608 -11.405 1.00 15.50 H new ATOM 1394 N VAL B 80 1.169 -0.320 -7.771 1.00 51.32 N ATOM 1395 CA VAL B 80 1.380 0.754 -6.775 1.00 53.42 C ATOM 1396 C VAL B 80 2.019 0.187 -5.499 1.00 24.33 C ATOM 1397 O VAL B 80 2.983 0.757 -4.967 1.00 32.14 O ATOM 1398 CB VAL B 80 0.028 1.492 -6.409 1.00 32.32 C ATOM 1399 CG1 VAL B 80 0.243 2.587 -5.339 1.00 10.11 C ATOM 1400 CG2 VAL B 80 -0.623 2.093 -7.671 1.00 22.25 C ATOM 0 H VAL B 80 0.199 -0.405 -8.073 1.00 51.32 H new ATOM 0 HA VAL B 80 2.053 1.483 -7.226 1.00 53.42 H new ATOM 0 HB VAL B 80 -0.646 0.746 -5.987 1.00 32.32 H new ATOM 0 HG11 VAL B 80 -0.709 3.069 -5.116 1.00 10.11 H new ATOM 0 HG12 VAL B 80 0.642 2.135 -4.431 1.00 10.11 H new ATOM 0 HG13 VAL B 80 0.947 3.330 -5.715 1.00 10.11 H new ATOM 0 HG21 VAL B 80 -1.551 2.596 -7.398 1.00 22.25 H new ATOM 0 HG22 VAL B 80 0.059 2.812 -8.125 1.00 22.25 H new ATOM 0 HG23 VAL B 80 -0.838 1.297 -8.384 1.00 22.25 H new ATOM 1410 N ILE B 81 1.486 -0.965 -5.057 1.00 5.52 N ATOM 1411 CA ILE B 81 1.985 -1.682 -3.876 1.00 23.24 C ATOM 1412 C ILE B 81 3.468 -2.077 -4.049 1.00 42.21 C ATOM 1413 O ILE B 81 4.310 -1.739 -3.209 1.00 73.14 O ATOM 1414 CB ILE B 81 1.128 -2.968 -3.556 1.00 61.14 C ATOM 1415 CG1 ILE B 81 -0.394 -2.637 -3.462 1.00 35.13 C ATOM 1416 CG2 ILE B 81 1.618 -3.645 -2.263 1.00 23.20 C ATOM 1417 CD1 ILE B 81 -0.778 -1.534 -2.479 1.00 34.31 C ATOM 0 H ILE B 81 0.696 -1.424 -5.511 1.00 5.52 H new ATOM 0 HA ILE B 81 1.894 -0.995 -3.035 1.00 23.24 H new ATOM 0 HB ILE B 81 1.263 -3.665 -4.383 1.00 61.14 H new ATOM 0 HG12 ILE B 81 -0.746 -2.352 -4.453 1.00 35.13 H new ATOM 0 HG13 ILE B 81 -0.927 -3.546 -3.184 1.00 35.13 H new ATOM 0 HG21 ILE B 81 1.012 -4.529 -2.063 1.00 23.20 H new ATOM 0 HG22 ILE B 81 2.661 -3.939 -2.379 1.00 23.20 H new ATOM 0 HG23 ILE B 81 1.528 -2.947 -1.430 1.00 23.20 H new ATOM 0 HD11 ILE B 81 -1.858 -1.390 -2.498 1.00 34.31 H new ATOM 0 HD12 ILE B 81 -0.467 -1.818 -1.474 1.00 34.31 H new ATOM 0 HD13 ILE B 81 -0.283 -0.605 -2.763 1.00 34.31 H new ATOM 1429 N GLU B 82 3.769 -2.731 -5.186 1.00 23.35 N ATOM 1430 CA GLU B 82 5.101 -3.304 -5.472 1.00 71.12 C ATOM 1431 C GLU B 82 6.171 -2.180 -5.532 1.00 25.21 C ATOM 1432 O GLU B 82 7.279 -2.335 -4.997 1.00 65.12 O ATOM 1433 CB GLU B 82 5.019 -4.116 -6.812 1.00 70.32 C ATOM 1434 CG GLU B 82 6.112 -5.199 -7.049 1.00 62.43 C ATOM 1435 CD GLU B 82 7.501 -4.651 -7.423 1.00 62.41 C ATOM 1436 OE1 GLU B 82 7.689 -4.202 -8.570 1.00 72.24 O ATOM 1437 OE2 GLU B 82 8.418 -4.686 -6.584 1.00 15.32 O ATOM 0 H GLU B 82 3.094 -2.878 -5.936 1.00 23.35 H new ATOM 0 HA GLU B 82 5.403 -3.982 -4.674 1.00 71.12 H new ATOM 0 HB2 GLU B 82 4.045 -4.603 -6.854 1.00 70.32 H new ATOM 0 HB3 GLU B 82 5.058 -3.408 -7.640 1.00 70.32 H new ATOM 0 HG2 GLU B 82 6.207 -5.801 -6.146 1.00 62.43 H new ATOM 0 HG3 GLU B 82 5.775 -5.866 -7.843 1.00 62.43 H new ATOM 1444 N GLU B 83 5.794 -1.034 -6.141 1.00 14.34 N ATOM 1445 CA GLU B 83 6.678 0.144 -6.313 1.00 71.52 C ATOM 1446 C GLU B 83 7.066 0.791 -4.975 1.00 1.41 C ATOM 1447 O GLU B 83 8.226 1.204 -4.789 1.00 75.14 O ATOM 1448 CB GLU B 83 6.013 1.181 -7.251 1.00 52.32 C ATOM 1449 CG GLU B 83 5.824 0.691 -8.701 1.00 40.32 C ATOM 1450 CD GLU B 83 7.134 0.524 -9.500 1.00 31.12 C ATOM 1451 OE1 GLU B 83 7.851 -0.482 -9.302 1.00 4.30 O ATOM 1452 OE2 GLU B 83 7.445 1.392 -10.342 1.00 73.22 O ATOM 0 H GLU B 83 4.861 -0.898 -6.530 1.00 14.34 H new ATOM 0 HA GLU B 83 7.602 -0.211 -6.769 1.00 71.52 H new ATOM 0 HB2 GLU B 83 5.040 1.454 -6.842 1.00 52.32 H new ATOM 0 HB3 GLU B 83 6.620 2.087 -7.261 1.00 52.32 H new ATOM 0 HG2 GLU B 83 5.301 -0.265 -8.682 1.00 40.32 H new ATOM 0 HG3 GLU B 83 5.180 1.396 -9.227 1.00 40.32 H new ATOM 1459 N MET B 84 6.097 0.849 -4.042 1.00 51.54 N ATOM 1460 CA MET B 84 6.314 1.400 -2.691 1.00 13.13 C ATOM 1461 C MET B 84 7.318 0.547 -1.897 1.00 72.25 C ATOM 1462 O MET B 84 8.056 1.081 -1.070 1.00 71.22 O ATOM 1463 CB MET B 84 4.969 1.515 -1.925 1.00 44.43 C ATOM 1464 CG MET B 84 4.022 2.581 -2.482 1.00 41.52 C ATOM 1465 SD MET B 84 2.534 2.796 -1.486 1.00 40.03 S ATOM 1466 CE MET B 84 1.782 1.175 -1.543 1.00 34.03 C ATOM 0 H MET B 84 5.146 0.517 -4.202 1.00 51.54 H new ATOM 0 HA MET B 84 6.736 2.399 -2.801 1.00 13.13 H new ATOM 0 HB2 MET B 84 4.466 0.549 -1.949 1.00 44.43 H new ATOM 0 HB3 MET B 84 5.177 1.740 -0.879 1.00 44.43 H new ATOM 0 HG2 MET B 84 4.551 3.532 -2.544 1.00 41.52 H new ATOM 0 HG3 MET B 84 3.736 2.309 -3.498 1.00 41.52 H new ATOM 0 HE1 MET B 84 0.831 1.196 -1.010 1.00 34.03 H new ATOM 0 HE2 MET B 84 1.610 0.890 -2.581 1.00 34.03 H new ATOM 0 HE3 MET B 84 2.446 0.449 -1.073 1.00 34.03 H new ATOM 1476 N GLY B 85 7.368 -0.765 -2.215 1.00 35.12 N ATOM 1477 CA GLY B 85 8.253 -1.715 -1.533 1.00 53.23 C ATOM 1478 C GLY B 85 9.746 -1.374 -1.597 1.00 25.43 C ATOM 1479 O GLY B 85 10.519 -1.815 -0.746 1.00 21.21 O ATOM 0 H GLY B 85 6.797 -1.186 -2.948 1.00 35.12 H new ATOM 0 HA2 GLY B 85 7.955 -1.778 -0.486 1.00 53.23 H new ATOM 0 HA3 GLY B 85 8.103 -2.703 -1.967 1.00 53.23 H new ATOM 1483 N LYS B 86 10.158 -0.581 -2.603 1.00 63.33 N ATOM 1484 CA LYS B 86 11.560 -0.120 -2.736 1.00 74.41 C ATOM 1485 C LYS B 86 11.741 1.280 -2.133 1.00 54.21 C ATOM 1486 O LYS B 86 12.842 1.618 -1.691 1.00 32.11 O ATOM 1487 CB LYS B 86 12.038 -0.121 -4.219 1.00 23.43 C ATOM 1488 CG LYS B 86 12.197 -1.529 -4.859 1.00 34.13 C ATOM 1489 CD LYS B 86 10.869 -2.130 -5.368 1.00 54.42 C ATOM 1490 CE LYS B 86 10.196 -1.243 -6.435 1.00 71.30 C ATOM 1491 NZ LYS B 86 9.116 -1.971 -7.152 1.00 74.32 N ATOM 0 H LYS B 86 9.540 -0.243 -3.341 1.00 63.33 H new ATOM 0 HA LYS B 86 12.176 -0.829 -2.182 1.00 74.41 H new ATOM 0 HB2 LYS B 86 11.328 0.453 -4.814 1.00 23.43 H new ATOM 0 HB3 LYS B 86 12.995 0.398 -4.277 1.00 23.43 H new ATOM 0 HG2 LYS B 86 12.899 -1.464 -5.690 1.00 34.13 H new ATOM 0 HG3 LYS B 86 12.634 -2.205 -4.125 1.00 34.13 H new ATOM 0 HD2 LYS B 86 11.057 -3.119 -5.787 1.00 54.42 H new ATOM 0 HD3 LYS B 86 10.188 -2.264 -4.528 1.00 54.42 H new ATOM 0 HE2 LYS B 86 9.782 -0.353 -5.961 1.00 71.30 H new ATOM 0 HE3 LYS B 86 10.944 -0.904 -7.151 1.00 71.30 H new ATOM 0 HZ1 LYS B 86 8.779 -1.394 -7.949 1.00 74.32 H new ATOM 0 HZ2 LYS B 86 9.485 -2.875 -7.510 1.00 74.32 H new ATOM 0 HZ3 LYS B 86 8.328 -2.154 -6.499 1.00 74.32 H new ATOM 1505 N GLU B 87 10.654 2.083 -2.092 1.00 3.30 N ATOM 1506 CA GLU B 87 10.711 3.497 -1.644 1.00 53.52 C ATOM 1507 C GLU B 87 10.835 3.607 -0.115 1.00 53.53 C ATOM 1508 O GLU B 87 11.212 4.660 0.398 1.00 32.45 O ATOM 1509 CB GLU B 87 9.464 4.281 -2.144 1.00 51.15 C ATOM 1510 CG GLU B 87 9.345 4.360 -3.678 1.00 73.24 C ATOM 1511 CD GLU B 87 10.601 4.958 -4.344 1.00 73.42 C ATOM 1512 OE1 GLU B 87 10.762 6.197 -4.325 1.00 31.11 O ATOM 1513 OE2 GLU B 87 11.431 4.192 -4.889 1.00 31.24 O ATOM 0 H GLU B 87 9.721 1.775 -2.365 1.00 3.30 H new ATOM 0 HA GLU B 87 11.605 3.941 -2.081 1.00 53.52 H new ATOM 0 HB2 GLU B 87 8.567 3.809 -1.744 1.00 51.15 H new ATOM 0 HB3 GLU B 87 9.498 5.293 -1.740 1.00 51.15 H new ATOM 0 HG2 GLU B 87 9.169 3.361 -4.076 1.00 73.24 H new ATOM 0 HG3 GLU B 87 8.477 4.965 -3.940 1.00 73.24 H new ATOM 1520 N ILE B 88 10.558 2.500 0.580 1.00 32.41 N ATOM 1521 CA ILE B 88 10.657 2.390 2.047 1.00 53.34 C ATOM 1522 C ILE B 88 12.111 2.561 2.524 1.00 73.32 C ATOM 1523 O ILE B 88 12.361 3.208 3.544 1.00 11.11 O ATOM 1524 CB ILE B 88 10.112 0.988 2.503 1.00 50.53 C ATOM 1525 CG1 ILE B 88 8.637 0.813 2.045 1.00 11.11 C ATOM 1526 CG2 ILE B 88 10.261 0.780 4.030 1.00 42.15 C ATOM 1527 CD1 ILE B 88 8.106 -0.593 2.162 1.00 73.22 C ATOM 0 H ILE B 88 10.252 1.635 0.134 1.00 32.41 H new ATOM 0 HA ILE B 88 10.059 3.186 2.492 1.00 53.34 H new ATOM 0 HB ILE B 88 10.716 0.218 2.024 1.00 50.53 H new ATOM 0 HG12 ILE B 88 8.006 1.476 2.636 1.00 11.11 H new ATOM 0 HG13 ILE B 88 8.552 1.134 1.007 1.00 11.11 H new ATOM 0 HG21 ILE B 88 9.872 -0.201 4.303 1.00 42.15 H new ATOM 0 HG22 ILE B 88 11.314 0.843 4.305 1.00 42.15 H new ATOM 0 HG23 ILE B 88 9.702 1.552 4.559 1.00 42.15 H new ATOM 0 HD11 ILE B 88 7.071 -0.621 1.821 1.00 73.22 H new ATOM 0 HD12 ILE B 88 8.709 -1.262 1.548 1.00 73.22 H new ATOM 0 HD13 ILE B 88 8.154 -0.915 3.202 1.00 73.22 H new ATOM 1539 N ARG B 89 13.055 1.972 1.760 1.00 23.12 N ATOM 1540 CA ARG B 89 14.490 1.945 2.126 1.00 13.52 C ATOM 1541 C ARG B 89 15.107 3.384 2.161 1.00 70.42 C ATOM 1542 O ARG B 89 15.675 3.765 3.192 1.00 4.32 O ATOM 1543 CB ARG B 89 15.301 1.012 1.176 1.00 13.13 C ATOM 1544 CG ARG B 89 14.711 -0.408 1.017 1.00 3.11 C ATOM 1545 CD ARG B 89 15.371 -1.194 -0.130 1.00 41.51 C ATOM 1546 NE ARG B 89 14.771 -2.526 -0.319 1.00 22.12 N ATOM 1547 CZ ARG B 89 15.062 -3.370 -1.332 1.00 20.24 C ATOM 1548 NH1 ARG B 89 15.939 -3.026 -2.276 1.00 34.34 N ATOM 1549 NH2 ARG B 89 14.442 -4.541 -1.398 1.00 22.30 N ATOM 0 H ARG B 89 12.848 1.504 0.878 1.00 23.12 H new ATOM 0 HA ARG B 89 14.556 1.536 3.134 1.00 13.52 H new ATOM 0 HB2 ARG B 89 15.361 1.479 0.193 1.00 13.13 H new ATOM 0 HB3 ARG B 89 16.321 0.928 1.552 1.00 13.13 H new ATOM 0 HG2 ARG B 89 14.838 -0.957 1.950 1.00 3.11 H new ATOM 0 HG3 ARG B 89 13.639 -0.334 0.833 1.00 3.11 H new ATOM 0 HD2 ARG B 89 15.282 -0.624 -1.055 1.00 41.51 H new ATOM 0 HD3 ARG B 89 16.436 -1.304 0.075 1.00 41.51 H new ATOM 0 HE ARG B 89 14.083 -2.834 0.368 1.00 22.12 H new ATOM 0 HH11 ARG B 89 16.399 -2.116 -2.238 1.00 34.34 H new ATOM 0 HH12 ARG B 89 16.150 -3.673 -3.036 1.00 34.34 H new ATOM 0 HH21 ARG B 89 13.754 -4.795 -0.689 1.00 22.30 H new ATOM 0 HH22 ARG B 89 14.653 -5.188 -2.158 1.00 22.30 H new ATOM 1563 N PRO B 90 15.017 4.226 1.054 1.00 50.20 N ATOM 1564 CA PRO B 90 15.535 5.613 1.082 1.00 43.22 C ATOM 1565 C PRO B 90 14.740 6.532 2.040 1.00 41.41 C ATOM 1566 O PRO B 90 15.328 7.440 2.632 1.00 24.21 O ATOM 1567 CB PRO B 90 15.466 6.068 -0.401 1.00 74.24 C ATOM 1568 CG PRO B 90 14.432 5.193 -1.032 1.00 5.01 C ATOM 1569 CD PRO B 90 14.491 3.885 -0.296 1.00 2.14 C ATOM 0 HA PRO B 90 16.549 5.668 1.478 1.00 43.22 H new ATOM 0 HB2 PRO B 90 15.191 7.120 -0.478 1.00 74.24 H new ATOM 0 HB3 PRO B 90 16.432 5.954 -0.893 1.00 74.24 H new ATOM 0 HG2 PRO B 90 13.441 5.641 -0.953 1.00 5.01 H new ATOM 0 HG3 PRO B 90 14.635 5.053 -2.094 1.00 5.01 H new ATOM 0 HD2 PRO B 90 13.505 3.424 -0.231 1.00 2.14 H new ATOM 0 HD3 PRO B 90 15.142 3.175 -0.805 1.00 2.14 H new ATOM 1577 N THR B 91 13.425 6.266 2.222 1.00 42.42 N ATOM 1578 CA THR B 91 12.594 6.951 3.247 1.00 1.41 C ATOM 1579 C THR B 91 13.181 6.722 4.661 1.00 21.02 C ATOM 1580 O THR B 91 13.339 7.665 5.442 1.00 75.14 O ATOM 1581 CB THR B 91 11.109 6.456 3.193 1.00 55.41 C ATOM 1582 OG1 THR B 91 10.540 6.826 1.932 1.00 41.22 O ATOM 1583 CG2 THR B 91 10.229 7.029 4.327 1.00 73.43 C ATOM 0 H THR B 91 12.912 5.578 1.670 1.00 42.42 H new ATOM 0 HA THR B 91 12.606 8.019 3.028 1.00 1.41 H new ATOM 0 HB THR B 91 11.130 5.374 3.322 1.00 55.41 H new ATOM 0 HG1 THR B 91 10.808 6.177 1.249 1.00 41.22 H new ATOM 0 HG21 THR B 91 9.214 6.645 4.229 1.00 73.43 H new ATOM 0 HG22 THR B 91 10.638 6.730 5.292 1.00 73.43 H new ATOM 0 HG23 THR B 91 10.213 8.117 4.261 1.00 73.43 H new ATOM 1591 N TYR B 92 13.543 5.456 4.933 1.00 62.43 N ATOM 1592 CA TYR B 92 14.218 5.039 6.175 1.00 25.02 C ATOM 1593 C TYR B 92 15.609 5.706 6.333 1.00 32.14 C ATOM 1594 O TYR B 92 16.126 5.819 7.444 1.00 64.35 O ATOM 1595 CB TYR B 92 14.339 3.486 6.209 1.00 12.11 C ATOM 1596 CG TYR B 92 15.009 2.949 7.475 1.00 24.45 C ATOM 1597 CD1 TYR B 92 14.368 3.040 8.706 1.00 44.25 C ATOM 1598 CD2 TYR B 92 16.302 2.413 7.456 1.00 14.34 C ATOM 1599 CE1 TYR B 92 14.981 2.617 9.856 1.00 11.24 C ATOM 1600 CE2 TYR B 92 16.924 2.000 8.616 1.00 51.34 C ATOM 1601 CZ TYR B 92 16.260 2.103 9.811 1.00 4.42 C ATOM 1602 OH TYR B 92 16.896 1.725 10.978 1.00 73.33 O ATOM 0 H TYR B 92 13.373 4.684 4.289 1.00 62.43 H new ATOM 0 HA TYR B 92 13.612 5.372 7.018 1.00 25.02 H new ATOM 0 HB2 TYR B 92 13.343 3.051 6.123 1.00 12.11 H new ATOM 0 HB3 TYR B 92 14.907 3.156 5.340 1.00 12.11 H new ATOM 0 HD1 TYR B 92 13.370 3.451 8.756 1.00 44.25 H new ATOM 0 HD2 TYR B 92 16.823 2.321 6.514 1.00 14.34 H new ATOM 0 HE1 TYR B 92 14.461 2.686 10.800 1.00 11.24 H new ATOM 0 HE2 TYR B 92 17.926 1.599 8.583 1.00 51.34 H new ATOM 0 HH TYR B 92 16.529 2.234 11.730 1.00 73.33 H new ATOM 1612 N ALA B 93 16.200 6.147 5.216 1.00 72.43 N ATOM 1613 CA ALA B 93 17.510 6.830 5.207 1.00 23.42 C ATOM 1614 C ALA B 93 17.349 8.365 5.211 1.00 3.12 C ATOM 1615 O ALA B 93 18.333 9.098 5.087 1.00 63.52 O ATOM 1616 CB ALA B 93 18.309 6.356 3.991 1.00 62.12 C ATOM 0 H ALA B 93 15.787 6.043 4.289 1.00 72.43 H new ATOM 0 HA ALA B 93 18.053 6.573 6.117 1.00 23.42 H new ATOM 0 HB1 ALA B 93 19.278 6.855 3.975 1.00 62.12 H new ATOM 0 HB2 ALA B 93 18.457 5.278 4.051 1.00 62.12 H new ATOM 0 HB3 ALA B 93 17.762 6.597 3.080 1.00 62.12 H new ATOM 1622 N GLY B 94 16.099 8.841 5.389 1.00 3.42 N ATOM 1623 CA GLY B 94 15.806 10.276 5.485 1.00 33.35 C ATOM 1624 C GLY B 94 15.589 10.986 4.153 1.00 24.20 C ATOM 1625 O GLY B 94 15.416 12.204 4.143 1.00 23.44 O ATOM 0 H GLY B 94 15.276 8.244 5.469 1.00 3.42 H new ATOM 0 HA2 GLY B 94 14.914 10.408 6.098 1.00 33.35 H new ATOM 0 HA3 GLY B 94 16.628 10.764 6.009 1.00 33.35 H new ATOM 1629 N SER B 95 15.613 10.252 3.032 1.00 21.04 N ATOM 1630 CA SER B 95 15.319 10.829 1.707 1.00 40.33 C ATOM 1631 C SER B 95 13.817 11.199 1.587 1.00 20.35 C ATOM 1632 O SER B 95 12.972 10.319 1.351 1.00 4.40 O ATOM 1633 CB SER B 95 15.716 9.836 0.595 1.00 32.34 C ATOM 1634 OG SER B 95 17.056 9.394 0.750 1.00 55.02 O ATOM 0 H SER B 95 15.833 9.256 3.013 1.00 21.04 H new ATOM 0 HA SER B 95 15.905 11.741 1.592 1.00 40.33 H new ATOM 0 HB2 SER B 95 15.044 8.978 0.614 1.00 32.34 H new ATOM 0 HB3 SER B 95 15.598 10.312 -0.379 1.00 32.34 H new ATOM 0 HG SER B 95 17.278 8.765 0.032 1.00 55.02 H new ATOM 1640 N LYS B 96 13.504 12.501 1.785 1.00 72.43 N ATOM 1641 CA LYS B 96 12.122 13.024 1.721 1.00 24.12 C ATOM 1642 C LYS B 96 11.533 12.953 0.302 1.00 22.25 C ATOM 1643 O LYS B 96 10.310 12.959 0.142 1.00 52.42 O ATOM 1644 CB LYS B 96 12.030 14.479 2.253 1.00 55.13 C ATOM 1645 CG LYS B 96 12.594 15.577 1.314 1.00 61.12 C ATOM 1646 CD LYS B 96 12.355 17.015 1.847 1.00 53.40 C ATOM 1647 CE LYS B 96 10.882 17.303 2.203 1.00 51.24 C ATOM 1648 NZ LYS B 96 9.956 17.050 1.069 1.00 34.34 N ATOM 0 H LYS B 96 14.202 13.216 1.993 1.00 72.43 H new ATOM 0 HA LYS B 96 11.529 12.376 2.367 1.00 24.12 H new ATOM 0 HB2 LYS B 96 10.984 14.705 2.459 1.00 55.13 H new ATOM 0 HB3 LYS B 96 12.560 14.533 3.204 1.00 55.13 H new ATOM 0 HG2 LYS B 96 13.664 15.418 1.181 1.00 61.12 H new ATOM 0 HG3 LYS B 96 12.133 15.479 0.331 1.00 61.12 H new ATOM 0 HD2 LYS B 96 12.972 17.173 2.732 1.00 53.40 H new ATOM 0 HD3 LYS B 96 12.686 17.732 1.096 1.00 53.40 H new ATOM 0 HE2 LYS B 96 10.590 16.683 3.050 1.00 51.24 H new ATOM 0 HE3 LYS B 96 10.786 18.341 2.520 1.00 51.24 H new ATOM 0 HZ1 LYS B 96 8.988 17.308 1.347 1.00 34.34 H new ATOM 0 HZ2 LYS B 96 10.245 17.623 0.250 1.00 34.34 H new ATOM 0 HZ3 LYS B 96 9.986 16.042 0.814 1.00 34.34 H new ATOM 1662 N SER B 97 12.418 12.908 -0.722 1.00 24.42 N ATOM 1663 CA SER B 97 12.002 12.793 -2.131 1.00 73.24 C ATOM 1664 C SER B 97 11.309 11.443 -2.370 1.00 43.21 C ATOM 1665 O SER B 97 10.239 11.387 -2.975 1.00 72.03 O ATOM 1666 CB SER B 97 13.213 12.964 -3.074 1.00 15.34 C ATOM 1667 OG SER B 97 13.845 14.207 -2.842 1.00 3.52 O ATOM 0 H SER B 97 13.429 12.950 -0.592 1.00 24.42 H new ATOM 0 HA SER B 97 11.291 13.590 -2.350 1.00 73.24 H new ATOM 0 HB2 SER B 97 13.923 12.152 -2.916 1.00 15.34 H new ATOM 0 HB3 SER B 97 12.886 12.903 -4.112 1.00 15.34 H new ATOM 0 HG SER B 97 14.612 14.302 -3.445 1.00 3.52 H new ATOM 1673 N ALA B 98 11.941 10.371 -1.846 1.00 30.14 N ATOM 1674 CA ALA B 98 11.400 9.002 -1.872 1.00 55.12 C ATOM 1675 C ALA B 98 10.195 8.854 -0.940 1.00 13.01 C ATOM 1676 O ALA B 98 9.274 8.092 -1.234 1.00 5.02 O ATOM 1677 CB ALA B 98 12.483 8.010 -1.474 1.00 13.43 C ATOM 0 H ALA B 98 12.851 10.436 -1.389 1.00 30.14 H new ATOM 0 HA ALA B 98 11.066 8.795 -2.889 1.00 55.12 H new ATOM 0 HB1 ALA B 98 12.076 6.999 -1.495 1.00 13.43 H new ATOM 0 HB2 ALA B 98 13.316 8.081 -2.173 1.00 13.43 H new ATOM 0 HB3 ALA B 98 12.834 8.239 -0.468 1.00 13.43 H new ATOM 1683 N MET B 99 10.234 9.580 0.203 1.00 32.32 N ATOM 1684 CA MET B 99 9.117 9.625 1.164 1.00 4.33 C ATOM 1685 C MET B 99 7.866 10.208 0.494 1.00 31.31 C ATOM 1686 O MET B 99 6.771 9.748 0.744 1.00 61.04 O ATOM 1687 CB MET B 99 9.480 10.461 2.420 1.00 64.33 C ATOM 1688 CG MET B 99 8.381 10.498 3.497 1.00 31.12 C ATOM 1689 SD MET B 99 8.747 11.635 4.846 1.00 61.31 S ATOM 1690 CE MET B 99 8.760 13.215 4.005 1.00 64.35 C ATOM 0 H MET B 99 11.037 10.145 0.479 1.00 32.32 H new ATOM 0 HA MET B 99 8.914 8.603 1.485 1.00 4.33 H new ATOM 0 HB2 MET B 99 10.391 10.056 2.861 1.00 64.33 H new ATOM 0 HB3 MET B 99 9.703 11.482 2.110 1.00 64.33 H new ATOM 0 HG2 MET B 99 7.437 10.786 3.034 1.00 31.12 H new ATOM 0 HG3 MET B 99 8.245 9.495 3.902 1.00 31.12 H new ATOM 0 HE1 MET B 99 9.777 13.606 3.981 1.00 64.35 H new ATOM 0 HE2 MET B 99 8.396 13.088 2.985 1.00 64.35 H new ATOM 0 HE3 MET B 99 8.115 13.915 4.536 1.00 64.35 H new ATOM 1700 N GLU B 100 8.071 11.201 -0.394 1.00 51.21 N ATOM 1701 CA GLU B 100 6.986 11.846 -1.158 1.00 42.25 C ATOM 1702 C GLU B 100 6.314 10.825 -2.101 1.00 30.13 C ATOM 1703 O GLU B 100 5.096 10.842 -2.281 1.00 20.30 O ATOM 1704 CB GLU B 100 7.532 13.046 -1.986 1.00 31.43 C ATOM 1705 CG GLU B 100 6.439 13.853 -2.719 1.00 14.13 C ATOM 1706 CD GLU B 100 6.999 14.831 -3.759 1.00 41.20 C ATOM 1707 OE1 GLU B 100 7.631 15.834 -3.367 1.00 75.52 O ATOM 1708 OE2 GLU B 100 6.799 14.609 -4.973 1.00 63.43 O ATOM 0 H GLU B 100 8.996 11.579 -0.602 1.00 51.21 H new ATOM 0 HA GLU B 100 6.247 12.218 -0.448 1.00 42.25 H new ATOM 0 HB2 GLU B 100 8.078 13.715 -1.321 1.00 31.43 H new ATOM 0 HB3 GLU B 100 8.247 12.673 -2.719 1.00 31.43 H new ATOM 0 HG2 GLU B 100 5.756 13.161 -3.212 1.00 14.13 H new ATOM 0 HG3 GLU B 100 5.855 14.409 -1.986 1.00 14.13 H new ATOM 1715 N ARG B 101 7.136 9.919 -2.661 1.00 54.24 N ATOM 1716 CA ARG B 101 6.674 8.879 -3.603 1.00 14.43 C ATOM 1717 C ARG B 101 5.891 7.804 -2.841 1.00 32.12 C ATOM 1718 O ARG B 101 4.850 7.326 -3.292 1.00 43.24 O ATOM 1719 CB ARG B 101 7.869 8.201 -4.326 1.00 44.42 C ATOM 1720 CG ARG B 101 8.981 9.145 -4.826 1.00 61.15 C ATOM 1721 CD ARG B 101 8.499 10.293 -5.725 1.00 5.21 C ATOM 1722 NE ARG B 101 9.625 11.130 -6.181 1.00 40.23 N ATOM 1723 CZ ARG B 101 9.517 12.363 -6.694 1.00 2.03 C ATOM 1724 NH1 ARG B 101 8.321 12.946 -6.832 1.00 44.12 N ATOM 1725 NH2 ARG B 101 10.617 12.995 -7.086 1.00 31.43 N ATOM 0 H ARG B 101 8.138 9.886 -2.475 1.00 54.24 H new ATOM 0 HA ARG B 101 6.039 9.361 -4.346 1.00 14.43 H new ATOM 0 HB2 ARG B 101 8.315 7.475 -3.646 1.00 44.42 H new ATOM 0 HB3 ARG B 101 7.483 7.643 -5.179 1.00 44.42 H new ATOM 0 HG2 ARG B 101 9.493 9.570 -3.962 1.00 61.15 H new ATOM 0 HG3 ARG B 101 9.717 8.557 -5.375 1.00 61.15 H new ATOM 0 HD2 ARG B 101 7.974 9.885 -6.589 1.00 5.21 H new ATOM 0 HD3 ARG B 101 7.784 10.909 -5.179 1.00 5.21 H new ATOM 0 HE ARG B 101 10.563 10.738 -6.099 1.00 40.23 H new ATOM 0 HH11 ARG B 101 7.476 12.451 -6.545 1.00 44.12 H new ATOM 0 HH12 ARG B 101 8.254 13.885 -7.224 1.00 44.12 H new ATOM 0 HH21 ARG B 101 11.526 12.541 -6.994 1.00 31.43 H new ATOM 0 HH22 ARG B 101 10.553 13.934 -7.479 1.00 31.43 H new ATOM 1739 N LEU B 102 6.440 7.448 -1.670 1.00 65.10 N ATOM 1740 CA LEU B 102 5.909 6.412 -0.784 1.00 1.21 C ATOM 1741 C LEU B 102 4.538 6.844 -0.225 1.00 71.43 C ATOM 1742 O LEU B 102 3.577 6.074 -0.273 1.00 25.12 O ATOM 1743 CB LEU B 102 6.944 6.146 0.351 1.00 43.33 C ATOM 1744 CG LEU B 102 6.605 5.014 1.365 1.00 12.24 C ATOM 1745 CD1 LEU B 102 6.394 3.654 0.671 1.00 22.02 C ATOM 1746 CD2 LEU B 102 7.686 4.921 2.463 1.00 3.13 C ATOM 0 H LEU B 102 7.287 7.886 -1.308 1.00 65.10 H new ATOM 0 HA LEU B 102 5.752 5.484 -1.334 1.00 1.21 H new ATOM 0 HB2 LEU B 102 7.902 5.910 -0.112 1.00 43.33 H new ATOM 0 HB3 LEU B 102 7.080 7.072 0.910 1.00 43.33 H new ATOM 0 HG LEU B 102 5.658 5.275 1.838 1.00 12.24 H new ATOM 0 HD11 LEU B 102 6.160 2.896 1.419 1.00 22.02 H new ATOM 0 HD12 LEU B 102 5.569 3.731 -0.038 1.00 22.02 H new ATOM 0 HD13 LEU B 102 7.303 3.371 0.140 1.00 22.02 H new ATOM 0 HD21 LEU B 102 7.429 4.124 3.160 1.00 3.13 H new ATOM 0 HD22 LEU B 102 8.652 4.705 2.006 1.00 3.13 H new ATOM 0 HD23 LEU B 102 7.742 5.868 3.000 1.00 3.13 H new ATOM 1758 N LYS B 103 4.469 8.095 0.266 1.00 2.02 N ATOM 1759 CA LYS B 103 3.219 8.739 0.704 1.00 70.53 C ATOM 1760 C LYS B 103 2.186 8.775 -0.426 1.00 62.44 C ATOM 1761 O LYS B 103 1.083 8.260 -0.257 1.00 51.34 O ATOM 1762 CB LYS B 103 3.502 10.179 1.205 1.00 20.52 C ATOM 1763 CG LYS B 103 4.284 10.258 2.537 1.00 64.32 C ATOM 1764 CD LYS B 103 3.454 9.813 3.766 1.00 4.23 C ATOM 1765 CE LYS B 103 2.305 10.775 4.090 1.00 61.21 C ATOM 1766 NZ LYS B 103 2.792 12.152 4.366 1.00 4.52 N ATOM 0 H LYS B 103 5.289 8.693 0.371 1.00 2.02 H new ATOM 0 HA LYS B 103 2.809 8.147 1.522 1.00 70.53 H new ATOM 0 HB2 LYS B 103 4.063 10.712 0.438 1.00 20.52 H new ATOM 0 HB3 LYS B 103 2.552 10.700 1.325 1.00 20.52 H new ATOM 0 HG2 LYS B 103 5.175 9.634 2.464 1.00 64.32 H new ATOM 0 HG3 LYS B 103 4.624 11.282 2.690 1.00 64.32 H new ATOM 0 HD2 LYS B 103 3.048 8.818 3.583 1.00 4.23 H new ATOM 0 HD3 LYS B 103 4.111 9.734 4.632 1.00 4.23 H new ATOM 0 HE2 LYS B 103 1.606 10.799 3.254 1.00 61.21 H new ATOM 0 HE3 LYS B 103 1.755 10.405 4.955 1.00 61.21 H new ATOM 0 HZ1 LYS B 103 2.026 12.713 4.791 1.00 4.52 H new ATOM 0 HZ2 LYS B 103 3.596 12.110 5.024 1.00 4.52 H new ATOM 0 HZ3 LYS B 103 3.095 12.598 3.477 1.00 4.52 H new ATOM 1780 N ARG B 104 2.570 9.352 -1.583 1.00 74.32 N ATOM 1781 CA ARG B 104 1.684 9.445 -2.760 1.00 51.41 C ATOM 1782 C ARG B 104 1.193 8.052 -3.195 1.00 42.20 C ATOM 1783 O ARG B 104 0.091 7.911 -3.723 1.00 14.50 O ATOM 1784 CB ARG B 104 2.414 10.129 -3.940 1.00 45.23 C ATOM 1785 CG ARG B 104 1.489 10.474 -5.123 1.00 52.33 C ATOM 1786 CD ARG B 104 2.221 11.073 -6.332 1.00 35.34 C ATOM 1787 NE ARG B 104 1.268 11.487 -7.375 1.00 70.45 N ATOM 1788 CZ ARG B 104 1.453 11.418 -8.703 1.00 13.12 C ATOM 1789 NH1 ARG B 104 2.592 10.950 -9.216 1.00 63.11 N ATOM 1790 NH2 ARG B 104 0.476 11.819 -9.515 1.00 13.32 N ATOM 0 H ARG B 104 3.493 9.762 -1.727 1.00 74.32 H new ATOM 0 HA ARG B 104 0.821 10.047 -2.476 1.00 51.41 H new ATOM 0 HB2 ARG B 104 2.888 11.043 -3.582 1.00 45.23 H new ATOM 0 HB3 ARG B 104 3.211 9.474 -4.292 1.00 45.23 H new ATOM 0 HG2 ARG B 104 0.967 9.571 -5.438 1.00 52.33 H new ATOM 0 HG3 ARG B 104 0.730 11.179 -4.784 1.00 52.33 H new ATOM 0 HD2 ARG B 104 2.813 11.931 -6.014 1.00 35.34 H new ATOM 0 HD3 ARG B 104 2.916 10.340 -6.740 1.00 35.34 H new ATOM 0 HE ARG B 104 0.376 11.865 -7.056 1.00 70.45 H new ATOM 0 HH11 ARG B 104 3.340 10.637 -8.597 1.00 63.11 H new ATOM 0 HH12 ARG B 104 2.715 10.905 -10.228 1.00 63.11 H new ATOM 0 HH21 ARG B 104 -0.398 12.173 -9.126 1.00 13.32 H new ATOM 0 HH22 ARG B 104 0.602 11.773 -10.526 1.00 13.32 H new ATOM 1804 N GLY B 105 2.039 7.033 -2.939 1.00 54.44 N ATOM 1805 CA GLY B 105 1.690 5.645 -3.170 1.00 15.43 C ATOM 1806 C GLY B 105 0.531 5.195 -2.296 1.00 64.14 C ATOM 1807 O GLY B 105 -0.355 4.507 -2.773 1.00 61.32 O ATOM 0 H GLY B 105 2.979 7.165 -2.567 1.00 54.44 H new ATOM 0 HA2 GLY B 105 1.428 5.507 -4.219 1.00 15.43 H new ATOM 0 HA3 GLY B 105 2.558 5.016 -2.973 1.00 15.43 H new ATOM 1811 N ILE B 106 0.534 5.602 -1.011 1.00 51.03 N ATOM 1812 CA ILE B 106 -0.575 5.312 -0.078 1.00 61.25 C ATOM 1813 C ILE B 106 -1.871 6.059 -0.491 1.00 52.32 C ATOM 1814 O ILE B 106 -2.939 5.463 -0.456 1.00 23.20 O ATOM 1815 CB ILE B 106 -0.180 5.618 1.442 1.00 50.31 C ATOM 1816 CG1 ILE B 106 0.557 4.402 2.109 1.00 14.12 C ATOM 1817 CG2 ILE B 106 -1.395 6.039 2.316 1.00 53.32 C ATOM 1818 CD1 ILE B 106 1.893 4.018 1.513 1.00 61.23 C ATOM 0 H ILE B 106 1.296 6.136 -0.593 1.00 51.03 H new ATOM 0 HA ILE B 106 -0.775 4.242 -0.143 1.00 61.25 H new ATOM 0 HB ILE B 106 0.503 6.466 1.397 1.00 50.31 H new ATOM 0 HG12 ILE B 106 0.706 4.630 3.164 1.00 14.12 H new ATOM 0 HG13 ILE B 106 -0.101 3.535 2.060 1.00 14.12 H new ATOM 0 HG21 ILE B 106 -1.060 6.232 3.335 1.00 53.32 H new ATOM 0 HG22 ILE B 106 -1.844 6.943 1.904 1.00 53.32 H new ATOM 0 HG23 ILE B 106 -2.134 5.237 2.322 1.00 53.32 H new ATOM 0 HD11 ILE B 106 2.303 3.167 2.057 1.00 61.23 H new ATOM 0 HD12 ILE B 106 1.760 3.749 0.465 1.00 61.23 H new ATOM 0 HD13 ILE B 106 2.580 4.861 1.587 1.00 61.23 H new ATOM 1830 N ILE B 107 -1.770 7.349 -0.894 1.00 13.32 N ATOM 1831 CA ILE B 107 -2.948 8.140 -1.353 1.00 42.52 C ATOM 1832 C ILE B 107 -3.581 7.454 -2.596 1.00 2.23 C ATOM 1833 O ILE B 107 -4.798 7.203 -2.643 1.00 14.45 O ATOM 1834 CB ILE B 107 -2.565 9.649 -1.691 1.00 25.13 C ATOM 1835 CG1 ILE B 107 -2.341 10.524 -0.402 1.00 1.21 C ATOM 1836 CG2 ILE B 107 -3.651 10.319 -2.581 1.00 23.20 C ATOM 1837 CD1 ILE B 107 -1.202 10.115 0.517 1.00 73.22 C ATOM 0 H ILE B 107 -0.891 7.866 -0.912 1.00 13.32 H new ATOM 0 HA ILE B 107 -3.670 8.168 -0.537 1.00 42.52 H new ATOM 0 HB ILE B 107 -1.622 9.602 -2.235 1.00 25.13 H new ATOM 0 HG12 ILE B 107 -2.170 11.554 -0.716 1.00 1.21 H new ATOM 0 HG13 ILE B 107 -3.264 10.517 0.178 1.00 1.21 H new ATOM 0 HG21 ILE B 107 -3.362 11.348 -2.795 1.00 23.20 H new ATOM 0 HG22 ILE B 107 -3.747 9.767 -3.516 1.00 23.20 H new ATOM 0 HG23 ILE B 107 -4.606 10.312 -2.056 1.00 23.20 H new ATOM 0 HD11 ILE B 107 -1.156 10.798 1.365 1.00 73.22 H new ATOM 0 HD12 ILE B 107 -1.371 9.100 0.877 1.00 73.22 H new ATOM 0 HD13 ILE B 107 -0.261 10.153 -0.031 1.00 73.22 H new ATOM 1849 N HIS B 108 -2.700 7.120 -3.555 1.00 2.21 N ATOM 1850 CA HIS B 108 -3.062 6.489 -4.836 1.00 10.01 C ATOM 1851 C HIS B 108 -3.688 5.107 -4.593 1.00 10.14 C ATOM 1852 O HIS B 108 -4.747 4.796 -5.144 1.00 64.44 O ATOM 1853 CB HIS B 108 -1.802 6.382 -5.739 1.00 33.33 C ATOM 1854 CG HIS B 108 -2.021 5.885 -7.145 1.00 55.20 C ATOM 1855 ND1 HIS B 108 -0.978 5.602 -7.983 1.00 64.14 N ATOM 1856 CD2 HIS B 108 -3.141 5.616 -7.857 1.00 3.42 C ATOM 1857 CE1 HIS B 108 -1.438 5.176 -9.133 1.00 23.03 C ATOM 1858 NE2 HIS B 108 -2.750 5.169 -9.086 1.00 1.42 N ATOM 0 H HIS B 108 -1.698 7.284 -3.460 1.00 2.21 H new ATOM 0 HA HIS B 108 -3.803 7.105 -5.346 1.00 10.01 H new ATOM 0 HB2 HIS B 108 -1.337 7.366 -5.794 1.00 33.33 H new ATOM 0 HB3 HIS B 108 -1.088 5.719 -5.250 1.00 33.33 H new ATOM 0 HD2 HIS B 108 -4.159 5.734 -7.515 1.00 3.42 H new ATOM 0 HE1 HIS B 108 -0.837 4.879 -9.980 1.00 23.03 H new ATOM 0 HE2 HIS B 108 -3.372 4.879 -9.840 1.00 1.42 H new ATOM 1867 N ALA B 109 -3.040 4.313 -3.729 1.00 55.33 N ATOM 1868 CA ALA B 109 -3.472 2.944 -3.423 1.00 21.02 C ATOM 1869 C ALA B 109 -4.815 2.944 -2.686 1.00 13.01 C ATOM 1870 O ALA B 109 -5.703 2.185 -3.033 1.00 0.14 O ATOM 1871 CB ALA B 109 -2.398 2.199 -2.616 1.00 4.11 C ATOM 0 H ALA B 109 -2.203 4.602 -3.224 1.00 55.33 H new ATOM 0 HA ALA B 109 -3.610 2.415 -4.366 1.00 21.02 H new ATOM 0 HB1 ALA B 109 -2.741 1.187 -2.401 1.00 4.11 H new ATOM 0 HB2 ALA B 109 -1.475 2.154 -3.193 1.00 4.11 H new ATOM 0 HB3 ALA B 109 -2.215 2.726 -1.680 1.00 4.11 H new ATOM 1877 N ARG B 110 -4.963 3.857 -1.714 1.00 33.11 N ATOM 1878 CA ARG B 110 -6.176 3.976 -0.872 1.00 75.14 C ATOM 1879 C ARG B 110 -7.399 4.350 -1.728 1.00 60.33 C ATOM 1880 O ARG B 110 -8.505 3.831 -1.518 1.00 15.05 O ATOM 1881 CB ARG B 110 -5.934 5.053 0.219 1.00 11.11 C ATOM 1882 CG ARG B 110 -7.023 5.146 1.310 1.00 23.40 C ATOM 1883 CD ARG B 110 -6.731 6.253 2.345 1.00 42.11 C ATOM 1884 NE ARG B 110 -7.716 6.270 3.439 1.00 75.35 N ATOM 1885 CZ ARG B 110 -7.606 7.010 4.557 1.00 74.13 C ATOM 1886 NH1 ARG B 110 -6.549 7.816 4.744 1.00 65.33 N ATOM 1887 NH2 ARG B 110 -8.538 6.908 5.496 1.00 64.34 N ATOM 0 H ARG B 110 -4.242 4.541 -1.484 1.00 33.11 H new ATOM 0 HA ARG B 110 -6.378 3.015 -0.399 1.00 75.14 H new ATOM 0 HB2 ARG B 110 -4.977 4.850 0.701 1.00 11.11 H new ATOM 0 HB3 ARG B 110 -5.846 6.025 -0.267 1.00 11.11 H new ATOM 0 HG2 ARG B 110 -7.988 5.338 0.840 1.00 23.40 H new ATOM 0 HG3 ARG B 110 -7.103 4.187 1.822 1.00 23.40 H new ATOM 0 HD2 ARG B 110 -5.734 6.106 2.759 1.00 42.11 H new ATOM 0 HD3 ARG B 110 -6.729 7.222 1.846 1.00 42.11 H new ATOM 0 HE ARG B 110 -8.541 5.678 3.342 1.00 75.35 H new ATOM 0 HH11 ARG B 110 -5.818 7.872 4.034 1.00 65.33 H new ATOM 0 HH12 ARG B 110 -6.476 8.372 5.596 1.00 65.33 H new ATOM 0 HH21 ARG B 110 -9.326 6.274 5.365 1.00 64.34 H new ATOM 0 HH22 ARG B 110 -8.466 7.464 6.348 1.00 64.34 H new ATOM 1901 N ALA B 111 -7.157 5.232 -2.718 1.00 1.04 N ATOM 1902 CA ALA B 111 -8.183 5.676 -3.667 1.00 5.24 C ATOM 1903 C ALA B 111 -8.638 4.500 -4.540 1.00 64.21 C ATOM 1904 O ALA B 111 -9.827 4.321 -4.757 1.00 44.44 O ATOM 1905 CB ALA B 111 -7.648 6.827 -4.530 1.00 65.54 C ATOM 0 H ALA B 111 -6.242 5.654 -2.878 1.00 1.04 H new ATOM 0 HA ALA B 111 -9.046 6.043 -3.111 1.00 5.24 H new ATOM 0 HB1 ALA B 111 -8.420 7.146 -5.230 1.00 65.54 H new ATOM 0 HB2 ALA B 111 -7.371 7.664 -3.889 1.00 65.54 H new ATOM 0 HB3 ALA B 111 -6.773 6.489 -5.085 1.00 65.54 H new ATOM 1911 N LEU B 112 -7.660 3.672 -4.971 1.00 24.13 N ATOM 1912 CA LEU B 112 -7.912 2.499 -5.839 1.00 5.24 C ATOM 1913 C LEU B 112 -8.702 1.411 -5.093 1.00 52.05 C ATOM 1914 O LEU B 112 -9.639 0.842 -5.652 1.00 22.31 O ATOM 1915 CB LEU B 112 -6.581 1.926 -6.401 1.00 64.43 C ATOM 1916 CG LEU B 112 -5.843 2.825 -7.439 1.00 33.02 C ATOM 1917 CD1 LEU B 112 -4.484 2.217 -7.826 1.00 31.55 C ATOM 1918 CD2 LEU B 112 -6.720 3.084 -8.690 1.00 52.24 C ATOM 0 H LEU B 112 -6.677 3.797 -4.728 1.00 24.13 H new ATOM 0 HA LEU B 112 -8.519 2.835 -6.679 1.00 5.24 H new ATOM 0 HB2 LEU B 112 -5.906 1.738 -5.566 1.00 64.43 H new ATOM 0 HB3 LEU B 112 -6.789 0.962 -6.866 1.00 64.43 H new ATOM 0 HG LEU B 112 -5.656 3.790 -6.968 1.00 33.02 H new ATOM 0 HD11 LEU B 112 -3.989 2.863 -8.551 1.00 31.55 H new ATOM 0 HD12 LEU B 112 -3.860 2.125 -6.937 1.00 31.55 H new ATOM 0 HD13 LEU B 112 -4.638 1.231 -8.265 1.00 31.55 H new ATOM 0 HD21 LEU B 112 -6.175 3.714 -9.393 1.00 52.24 H new ATOM 0 HD22 LEU B 112 -6.963 2.134 -9.167 1.00 52.24 H new ATOM 0 HD23 LEU B 112 -7.640 3.586 -8.392 1.00 52.24 H new ATOM 1930 N VAL B 113 -8.328 1.154 -3.821 1.00 50.34 N ATOM 1931 CA VAL B 113 -9.037 0.188 -2.953 1.00 43.41 C ATOM 1932 C VAL B 113 -10.488 0.653 -2.712 1.00 24.44 C ATOM 1933 O VAL B 113 -11.409 -0.169 -2.664 1.00 51.12 O ATOM 1934 CB VAL B 113 -8.323 -0.029 -1.561 1.00 22.42 C ATOM 1935 CG1 VAL B 113 -9.038 -1.122 -0.735 1.00 64.52 C ATOM 1936 CG2 VAL B 113 -6.829 -0.378 -1.727 1.00 3.04 C ATOM 0 H VAL B 113 -7.533 1.606 -3.370 1.00 50.34 H new ATOM 0 HA VAL B 113 -9.026 -0.766 -3.480 1.00 43.41 H new ATOM 0 HB VAL B 113 -8.386 0.916 -1.022 1.00 22.42 H new ATOM 0 HG11 VAL B 113 -8.526 -1.251 0.218 1.00 64.52 H new ATOM 0 HG12 VAL B 113 -10.071 -0.824 -0.555 1.00 64.52 H new ATOM 0 HG13 VAL B 113 -9.022 -2.063 -1.285 1.00 64.52 H new ATOM 0 HG21 VAL B 113 -6.377 -0.519 -0.745 1.00 3.04 H new ATOM 0 HG22 VAL B 113 -6.732 -1.296 -2.306 1.00 3.04 H new ATOM 0 HG23 VAL B 113 -6.321 0.434 -2.247 1.00 3.04 H new ATOM 1946 N ARG B 114 -10.671 1.983 -2.603 1.00 4.51 N ATOM 1947 CA ARG B 114 -11.992 2.606 -2.406 1.00 54.31 C ATOM 1948 C ARG B 114 -12.837 2.429 -3.693 1.00 0.32 C ATOM 1949 O ARG B 114 -14.025 2.097 -3.614 1.00 25.01 O ATOM 1950 CB ARG B 114 -11.828 4.110 -2.017 1.00 54.55 C ATOM 1951 CG ARG B 114 -12.960 4.738 -1.148 1.00 74.53 C ATOM 1952 CD ARG B 114 -14.361 4.702 -1.775 1.00 3.32 C ATOM 1953 NE ARG B 114 -14.368 5.302 -3.122 1.00 33.11 N ATOM 1954 CZ ARG B 114 -15.233 4.997 -4.107 1.00 53.14 C ATOM 1955 NH1 ARG B 114 -16.189 4.091 -3.915 1.00 74.41 N ATOM 1956 NH2 ARG B 114 -15.108 5.568 -5.299 1.00 3.51 N ATOM 0 H ARG B 114 -9.905 2.656 -2.649 1.00 4.51 H new ATOM 0 HA ARG B 114 -12.516 2.117 -1.585 1.00 54.31 H new ATOM 0 HB2 ARG B 114 -10.886 4.221 -1.480 1.00 54.55 H new ATOM 0 HB3 ARG B 114 -11.742 4.691 -2.935 1.00 54.55 H new ATOM 0 HG2 ARG B 114 -12.994 4.216 -0.192 1.00 74.53 H new ATOM 0 HG3 ARG B 114 -12.701 5.775 -0.936 1.00 74.53 H new ATOM 0 HD2 ARG B 114 -14.708 3.670 -1.834 1.00 3.32 H new ATOM 0 HD3 ARG B 114 -15.061 5.237 -1.134 1.00 3.32 H new ATOM 0 HE ARG B 114 -13.659 6.006 -3.324 1.00 33.11 H new ATOM 0 HH11 ARG B 114 -16.272 3.620 -3.014 1.00 74.41 H new ATOM 0 HH12 ARG B 114 -16.839 3.868 -4.669 1.00 74.41 H new ATOM 0 HH21 ARG B 114 -14.357 6.237 -5.468 1.00 3.51 H new ATOM 0 HH22 ARG B 114 -15.763 5.337 -6.046 1.00 3.51 H new ATOM 1970 N GLU B 115 -12.206 2.627 -4.873 1.00 5.22 N ATOM 1971 CA GLU B 115 -12.856 2.384 -6.185 1.00 24.53 C ATOM 1972 C GLU B 115 -13.273 0.904 -6.307 1.00 21.23 C ATOM 1973 O GLU B 115 -14.282 0.577 -6.934 1.00 3.23 O ATOM 1974 CB GLU B 115 -11.898 2.724 -7.368 1.00 44.41 C ATOM 1975 CG GLU B 115 -11.395 4.179 -7.441 1.00 51.40 C ATOM 1976 CD GLU B 115 -12.507 5.212 -7.665 1.00 12.32 C ATOM 1977 OE1 GLU B 115 -13.110 5.207 -8.766 1.00 34.42 O ATOM 1978 OE2 GLU B 115 -12.781 6.032 -6.759 1.00 53.42 O ATOM 0 H GLU B 115 -11.243 2.956 -4.945 1.00 5.22 H new ATOM 0 HA GLU B 115 -13.732 3.031 -6.237 1.00 24.53 H new ATOM 0 HB2 GLU B 115 -11.032 2.065 -7.307 1.00 44.41 H new ATOM 0 HB3 GLU B 115 -12.411 2.492 -8.301 1.00 44.41 H new ATOM 0 HG2 GLU B 115 -10.871 4.419 -6.516 1.00 51.40 H new ATOM 0 HG3 GLU B 115 -10.668 4.261 -8.249 1.00 51.40 H new ATOM 1985 N CYS B 116 -12.458 0.027 -5.701 1.00 10.13 N ATOM 1986 CA CYS B 116 -12.664 -1.418 -5.717 1.00 3.23 C ATOM 1987 C CYS B 116 -13.688 -1.869 -4.662 1.00 31.15 C ATOM 1988 O CYS B 116 -14.230 -2.956 -4.785 1.00 31.05 O ATOM 1989 CB CYS B 116 -11.322 -2.129 -5.541 1.00 61.12 C ATOM 1990 SG CYS B 116 -10.132 -1.727 -6.826 1.00 12.42 S ATOM 0 H CYS B 116 -11.628 0.312 -5.181 1.00 10.13 H new ATOM 0 HA CYS B 116 -13.084 -1.694 -6.684 1.00 3.23 H new ATOM 0 HB2 CYS B 116 -10.902 -1.864 -4.571 1.00 61.12 H new ATOM 0 HB3 CYS B 116 -11.488 -3.206 -5.533 1.00 61.12 H new ATOM 0 HG CYS B 116 -9.780 -0.480 -6.717 1.00 12.42 H new ATOM 1996 N LEU B 117 -13.944 -1.035 -3.621 1.00 73.40 N ATOM 1997 CA LEU B 117 -15.073 -1.267 -2.672 1.00 73.35 C ATOM 1998 C LEU B 117 -16.402 -1.367 -3.461 1.00 60.20 C ATOM 1999 O LEU B 117 -17.289 -2.152 -3.118 1.00 14.05 O ATOM 2000 CB LEU B 117 -15.185 -0.142 -1.588 1.00 41.13 C ATOM 2001 CG LEU B 117 -14.011 -0.030 -0.555 1.00 53.30 C ATOM 2002 CD1 LEU B 117 -14.220 1.176 0.384 1.00 11.30 C ATOM 2003 CD2 LEU B 117 -13.836 -1.331 0.261 1.00 72.54 C ATOM 0 H LEU B 117 -13.392 -0.202 -3.416 1.00 73.40 H new ATOM 0 HA LEU B 117 -14.873 -2.202 -2.149 1.00 73.35 H new ATOM 0 HB2 LEU B 117 -15.277 0.815 -2.101 1.00 41.13 H new ATOM 0 HB3 LEU B 117 -16.111 -0.297 -1.034 1.00 41.13 H new ATOM 0 HG LEU B 117 -13.094 0.126 -1.123 1.00 53.30 H new ATOM 0 HD11 LEU B 117 -13.393 1.233 1.092 1.00 11.30 H new ATOM 0 HD12 LEU B 117 -14.258 2.093 -0.204 1.00 11.30 H new ATOM 0 HD13 LEU B 117 -15.156 1.055 0.929 1.00 11.30 H new ATOM 0 HD21 LEU B 117 -13.012 -1.211 0.965 1.00 72.54 H new ATOM 0 HD22 LEU B 117 -14.754 -1.543 0.809 1.00 72.54 H new ATOM 0 HD23 LEU B 117 -13.618 -2.158 -0.415 1.00 72.54 H new