USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 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 153:sc= -1.12 (180deg=-1.31) USER MOD Set 1.2: B 84 MET CE :methyl -169:sc= -0.578 (180deg=-0.813) USER MOD Single : A 75 THR OG1 : rot 35:sc= 0.226 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.625 (180deg=0.453) USER MOD Single : A 91 THR OG1 : rot 94:sc= 0.922 USER MOD Single : A 92 TYR OH : rot -26:sc= -0.361 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 -136:sc= -0.354 (180deg=-1.27!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0752 K(o=-0.075,f=-1.5) USER MOD Single : B 75 THR OG1 : rot 23:sc= 0.306 USER MOD Single : B 79 SER OG : rot -72:sc= 0.251 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 95:sc= 0.681 USER MOD Single : B 92 TYR OH : rot -45:sc= -0.64 USER MOD Single : B 95 SER OG : rot 91:sc= 0.0197 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -157:sc= -0.384 (180deg=-1.27) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc=-0.00898 K(o=-0.009,f=-0.66) USER MOD Single : B 116 CYS SG : rot 99:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.705 -4.900 2.305 1.00 61.11 N ATOM 242 CA THR A 75 -11.528 -3.661 3.103 1.00 12.23 C ATOM 243 C THR A 75 -10.296 -3.782 4.031 1.00 73.33 C ATOM 244 O THR A 75 -9.788 -2.769 4.520 1.00 72.43 O ATOM 245 CB THR A 75 -12.818 -3.298 3.936 1.00 43.24 C ATOM 246 OG1 THR A 75 -14.000 -3.524 3.151 1.00 32.42 O ATOM 247 CG2 THR A 75 -12.813 -1.817 4.394 1.00 51.44 C ATOM 0 HA THR A 75 -11.360 -2.846 2.399 1.00 12.23 H new ATOM 0 HB THR A 75 -12.816 -3.940 4.817 1.00 43.24 H new ATOM 0 HG1 THR A 75 -13.863 -4.301 2.570 1.00 32.42 H new ATOM 0 HG21 THR A 75 -13.719 -1.609 4.964 1.00 51.44 H new ATOM 0 HG22 THR A 75 -11.940 -1.633 5.020 1.00 51.44 H new ATOM 0 HG23 THR A 75 -12.777 -1.166 3.520 1.00 51.44 H new ATOM 255 N ASP A 76 -9.816 -5.038 4.259 1.00 73.11 N ATOM 256 CA ASP A 76 -8.523 -5.284 4.935 1.00 11.43 C ATOM 257 C ASP A 76 -7.395 -4.600 4.142 1.00 24.03 C ATOM 258 O ASP A 76 -6.500 -4.006 4.726 1.00 2.02 O ATOM 259 CB ASP A 76 -8.211 -6.803 5.082 1.00 30.30 C ATOM 260 CG ASP A 76 -9.110 -7.529 6.105 1.00 61.13 C ATOM 261 OD1 ASP A 76 -8.927 -7.324 7.327 1.00 74.42 O ATOM 262 OD2 ASP A 76 -10.008 -8.286 5.699 1.00 70.42 O ATOM 0 H ASP A 76 -10.308 -5.888 3.983 1.00 73.11 H new ATOM 0 HA ASP A 76 -8.591 -4.867 5.940 1.00 11.43 H new ATOM 0 HB2 ASP A 76 -8.323 -7.283 4.110 1.00 30.30 H new ATOM 0 HB3 ASP A 76 -7.169 -6.923 5.379 1.00 30.30 H new ATOM 267 N LEU A 77 -7.504 -4.667 2.800 1.00 3.42 N ATOM 268 CA LEU A 77 -6.544 -4.051 1.867 1.00 23.51 C ATOM 269 C LEU A 77 -6.575 -2.513 1.964 1.00 55.22 C ATOM 270 O LEU A 77 -5.519 -1.883 1.986 1.00 11.14 O ATOM 271 CB LEU A 77 -6.846 -4.519 0.423 1.00 2.05 C ATOM 272 CG LEU A 77 -5.915 -3.969 -0.699 1.00 13.41 C ATOM 273 CD1 LEU A 77 -4.436 -4.286 -0.429 1.00 31.02 C ATOM 274 CD2 LEU A 77 -6.359 -4.496 -2.068 1.00 13.34 C ATOM 0 H LEU A 77 -8.268 -5.154 2.331 1.00 3.42 H new ATOM 0 HA LEU A 77 -5.539 -4.373 2.142 1.00 23.51 H new ATOM 0 HB2 LEU A 77 -6.799 -5.608 0.401 1.00 2.05 H new ATOM 0 HB3 LEU A 77 -7.872 -4.239 0.182 1.00 2.05 H new ATOM 0 HG LEU A 77 -6.006 -2.883 -0.702 1.00 13.41 H new ATOM 0 HD11 LEU A 77 -3.824 -3.884 -1.237 1.00 31.02 H new ATOM 0 HD12 LEU A 77 -4.133 -3.833 0.515 1.00 31.02 H new ATOM 0 HD13 LEU A 77 -4.300 -5.366 -0.374 1.00 31.02 H new ATOM 0 HD21 LEU A 77 -5.699 -4.103 -2.841 1.00 13.34 H new ATOM 0 HD22 LEU A 77 -6.313 -5.585 -2.071 1.00 13.34 H new ATOM 0 HD23 LEU A 77 -7.382 -4.176 -2.267 1.00 13.34 H new ATOM 286 N LEU A 78 -7.793 -1.925 2.042 1.00 2.14 N ATOM 287 CA LEU A 78 -7.975 -0.464 2.271 1.00 43.53 C ATOM 288 C LEU A 78 -7.292 -0.044 3.578 1.00 52.31 C ATOM 289 O LEU A 78 -6.581 0.968 3.636 1.00 11.22 O ATOM 290 CB LEU A 78 -9.483 -0.104 2.375 1.00 1.21 C ATOM 291 CG LEU A 78 -9.813 1.422 2.547 1.00 24.21 C ATOM 292 CD1 LEU A 78 -9.823 2.166 1.199 1.00 44.43 C ATOM 293 CD2 LEU A 78 -11.123 1.628 3.331 1.00 51.32 C ATOM 0 H LEU A 78 -8.669 -2.439 1.950 1.00 2.14 H new ATOM 0 HA LEU A 78 -7.530 0.061 1.425 1.00 43.53 H new ATOM 0 HB2 LEU A 78 -9.986 -0.466 1.478 1.00 1.21 H new ATOM 0 HB3 LEU A 78 -9.909 -0.646 3.220 1.00 1.21 H new ATOM 0 HG LEU A 78 -9.010 1.862 3.138 1.00 24.21 H new ATOM 0 HD11 LEU A 78 -10.056 3.218 1.366 1.00 44.43 H new ATOM 0 HD12 LEU A 78 -8.843 2.081 0.729 1.00 44.43 H new ATOM 0 HD13 LEU A 78 -10.577 1.727 0.546 1.00 44.43 H new ATOM 0 HD21 LEU A 78 -11.322 2.695 3.432 1.00 51.32 H new ATOM 0 HD22 LEU A 78 -11.946 1.154 2.796 1.00 51.32 H new ATOM 0 HD23 LEU A 78 -11.029 1.181 4.321 1.00 51.32 H new ATOM 305 N SER A 79 -7.508 -0.892 4.605 1.00 53.35 N ATOM 306 CA SER A 79 -6.984 -0.696 5.951 1.00 32.23 C ATOM 307 C SER A 79 -5.447 -0.727 5.941 1.00 61.44 C ATOM 308 O SER A 79 -4.822 0.097 6.598 1.00 14.41 O ATOM 309 CB SER A 79 -7.568 -1.765 6.901 1.00 21.53 C ATOM 310 OG SER A 79 -7.136 -1.575 8.235 1.00 5.41 O ATOM 0 H SER A 79 -8.062 -1.743 4.509 1.00 53.35 H new ATOM 0 HA SER A 79 -7.288 0.285 6.316 1.00 32.23 H new ATOM 0 HB2 SER A 79 -8.657 -1.729 6.863 1.00 21.53 H new ATOM 0 HB3 SER A 79 -7.270 -2.756 6.560 1.00 21.53 H new ATOM 0 HG SER A 79 -7.526 -2.268 8.807 1.00 5.41 H new ATOM 316 N VAL A 80 -4.854 -1.639 5.132 1.00 33.31 N ATOM 317 CA VAL A 80 -3.391 -1.727 4.977 1.00 2.35 C ATOM 318 C VAL A 80 -2.825 -0.393 4.468 1.00 20.13 C ATOM 319 O VAL A 80 -1.868 0.123 5.036 1.00 34.12 O ATOM 320 CB VAL A 80 -2.938 -2.863 3.982 1.00 31.34 C ATOM 321 CG1 VAL A 80 -1.407 -2.875 3.816 1.00 0.13 C ATOM 322 CG2 VAL A 80 -3.437 -4.252 4.409 1.00 52.24 C ATOM 0 H VAL A 80 -5.372 -2.322 4.579 1.00 33.31 H new ATOM 0 HA VAL A 80 -3.002 -1.967 5.967 1.00 2.35 H new ATOM 0 HB VAL A 80 -3.397 -2.633 3.020 1.00 31.34 H new ATOM 0 HG11 VAL A 80 -1.122 -3.668 3.125 1.00 0.13 H new ATOM 0 HG12 VAL A 80 -1.076 -1.914 3.422 1.00 0.13 H new ATOM 0 HG13 VAL A 80 -0.937 -3.051 4.784 1.00 0.13 H new ATOM 0 HG21 VAL A 80 -3.097 -4.998 3.690 1.00 52.24 H new ATOM 0 HG22 VAL A 80 -3.042 -4.493 5.396 1.00 52.24 H new ATOM 0 HG23 VAL A 80 -4.526 -4.252 4.445 1.00 52.24 H new ATOM 332 N ILE A 81 -3.452 0.153 3.407 1.00 14.13 N ATOM 333 CA ILE A 81 -2.943 1.344 2.705 1.00 34.53 C ATOM 334 C ILE A 81 -2.922 2.587 3.615 1.00 42.23 C ATOM 335 O ILE A 81 -1.916 3.295 3.702 1.00 74.51 O ATOM 336 CB ILE A 81 -3.749 1.647 1.392 1.00 51.34 C ATOM 337 CG1 ILE A 81 -3.861 0.382 0.486 1.00 34.24 C ATOM 338 CG2 ILE A 81 -3.112 2.811 0.612 1.00 71.23 C ATOM 339 CD1 ILE A 81 -2.537 -0.240 0.064 1.00 43.14 C ATOM 0 H ILE A 81 -4.319 -0.217 3.016 1.00 14.13 H new ATOM 0 HA ILE A 81 -1.916 1.111 2.424 1.00 34.53 H new ATOM 0 HB ILE A 81 -4.757 1.939 1.688 1.00 51.34 H new ATOM 0 HG12 ILE A 81 -4.445 -0.372 1.015 1.00 34.24 H new ATOM 0 HG13 ILE A 81 -4.420 0.647 -0.411 1.00 34.24 H new ATOM 0 HG21 ILE A 81 -3.689 3.001 -0.293 1.00 71.23 H new ATOM 0 HG22 ILE A 81 -3.107 3.706 1.234 1.00 71.23 H new ATOM 0 HG23 ILE A 81 -2.088 2.551 0.342 1.00 71.23 H new ATOM 0 HD11 ILE A 81 -2.728 -1.112 -0.562 1.00 43.14 H new ATOM 0 HD12 ILE A 81 -1.955 0.490 -0.498 1.00 43.14 H new ATOM 0 HD13 ILE A 81 -1.979 -0.545 0.950 1.00 43.14 H new ATOM 351 N GLU A 82 -4.030 2.814 4.330 1.00 13.32 N ATOM 352 CA GLU A 82 -4.176 3.993 5.197 1.00 72.42 C ATOM 353 C GLU A 82 -3.326 3.875 6.471 1.00 62.43 C ATOM 354 O GLU A 82 -2.820 4.883 6.979 1.00 24.22 O ATOM 355 CB GLU A 82 -5.659 4.216 5.543 1.00 71.23 C ATOM 356 CG GLU A 82 -6.335 3.040 6.271 1.00 34.34 C ATOM 357 CD GLU A 82 -7.857 3.191 6.351 1.00 54.33 C ATOM 358 OE1 GLU A 82 -8.533 2.957 5.326 1.00 22.53 O ATOM 359 OE2 GLU A 82 -8.378 3.587 7.410 1.00 53.03 O ATOM 0 H GLU A 82 -4.841 2.196 4.326 1.00 13.32 H new ATOM 0 HA GLU A 82 -3.809 4.860 4.648 1.00 72.42 H new ATOM 0 HB2 GLU A 82 -5.743 5.107 6.165 1.00 71.23 H new ATOM 0 HB3 GLU A 82 -6.206 4.418 4.622 1.00 71.23 H new ATOM 0 HG2 GLU A 82 -6.093 2.111 5.755 1.00 34.34 H new ATOM 0 HG3 GLU A 82 -5.928 2.960 7.279 1.00 34.34 H new ATOM 366 N GLU A 83 -3.166 2.634 6.973 1.00 13.23 N ATOM 367 CA GLU A 83 -2.285 2.365 8.110 1.00 11.25 C ATOM 368 C GLU A 83 -0.840 2.645 7.711 1.00 53.42 C ATOM 369 O GLU A 83 -0.156 3.434 8.369 1.00 21.43 O ATOM 370 CB GLU A 83 -2.430 0.909 8.631 1.00 0.43 C ATOM 371 CG GLU A 83 -3.750 0.612 9.373 1.00 61.12 C ATOM 372 CD GLU A 83 -4.016 1.531 10.575 1.00 31.02 C ATOM 373 OE1 GLU A 83 -3.380 1.336 11.627 1.00 14.11 O ATOM 374 OE2 GLU A 83 -4.850 2.452 10.465 1.00 43.44 O ATOM 0 H GLU A 83 -3.638 1.808 6.604 1.00 13.23 H new ATOM 0 HA GLU A 83 -2.577 3.026 8.926 1.00 11.25 H new ATOM 0 HB2 GLU A 83 -2.344 0.226 7.786 1.00 0.43 H new ATOM 0 HB3 GLU A 83 -1.597 0.694 9.301 1.00 0.43 H new ATOM 0 HG2 GLU A 83 -4.578 0.703 8.670 1.00 61.12 H new ATOM 0 HG3 GLU A 83 -3.736 -0.422 9.717 1.00 61.12 H new ATOM 381 N MET A 84 -0.415 2.048 6.578 1.00 13.45 N ATOM 382 CA MET A 84 0.975 2.120 6.103 1.00 64.40 C ATOM 383 C MET A 84 1.360 3.595 5.819 1.00 13.01 C ATOM 384 O MET A 84 2.479 4.002 6.093 1.00 72.05 O ATOM 385 CB MET A 84 1.165 1.192 4.844 1.00 11.43 C ATOM 386 CG MET A 84 0.984 1.862 3.468 1.00 15.31 C ATOM 387 SD MET A 84 0.222 0.823 2.203 1.00 21.41 S ATOM 388 CE MET A 84 1.165 -0.684 2.257 1.00 2.25 C ATOM 0 H MET A 84 -1.028 1.504 5.970 1.00 13.45 H new ATOM 0 HA MET A 84 1.650 1.753 6.876 1.00 64.40 H new ATOM 0 HB2 MET A 84 2.165 0.760 4.885 1.00 11.43 H new ATOM 0 HB3 MET A 84 0.458 0.366 4.918 1.00 11.43 H new ATOM 0 HG2 MET A 84 0.376 2.758 3.595 1.00 15.31 H new ATOM 0 HG3 MET A 84 1.960 2.188 3.109 1.00 15.31 H new ATOM 0 HE1 MET A 84 0.545 -1.514 1.919 1.00 2.25 H new ATOM 0 HE2 MET A 84 2.035 -0.592 1.606 1.00 2.25 H new ATOM 0 HE3 MET A 84 1.494 -0.871 3.279 1.00 2.25 H new ATOM 398 N GLY A 85 0.365 4.389 5.356 1.00 72.13 N ATOM 399 CA GLY A 85 0.550 5.809 5.061 1.00 73.55 C ATOM 400 C GLY A 85 0.916 6.665 6.264 1.00 71.34 C ATOM 401 O GLY A 85 1.518 7.731 6.118 1.00 34.22 O ATOM 0 H GLY A 85 -0.582 4.053 5.181 1.00 72.13 H new ATOM 0 HA2 GLY A 85 1.332 5.911 4.308 1.00 73.55 H new ATOM 0 HA3 GLY A 85 -0.369 6.198 4.621 1.00 73.55 H new ATOM 405 N LYS A 86 0.556 6.187 7.457 1.00 73.35 N ATOM 406 CA LYS A 86 0.858 6.860 8.730 1.00 10.33 C ATOM 407 C LYS A 86 2.180 6.314 9.297 1.00 41.03 C ATOM 408 O LYS A 86 2.919 7.019 9.991 1.00 52.31 O ATOM 409 CB LYS A 86 -0.312 6.619 9.723 1.00 64.31 C ATOM 410 CG LYS A 86 -1.652 7.204 9.226 1.00 50.30 C ATOM 411 CD LYS A 86 -2.841 6.959 10.190 1.00 63.21 C ATOM 412 CE LYS A 86 -3.167 5.469 10.380 1.00 72.53 C ATOM 413 NZ LYS A 86 -4.342 5.255 11.280 1.00 71.20 N ATOM 0 H LYS A 86 0.042 5.314 7.572 1.00 73.35 H new ATOM 0 HA LYS A 86 0.968 7.933 8.572 1.00 10.33 H new ATOM 0 HB2 LYS A 86 -0.428 5.548 9.887 1.00 64.31 H new ATOM 0 HB3 LYS A 86 -0.062 7.064 10.686 1.00 64.31 H new ATOM 0 HG2 LYS A 86 -1.535 8.277 9.075 1.00 50.30 H new ATOM 0 HG3 LYS A 86 -1.889 6.769 8.255 1.00 50.30 H new ATOM 0 HD2 LYS A 86 -2.612 7.401 11.160 1.00 63.21 H new ATOM 0 HD3 LYS A 86 -3.723 7.472 9.807 1.00 63.21 H new ATOM 0 HE2 LYS A 86 -3.369 5.017 9.409 1.00 72.53 H new ATOM 0 HE3 LYS A 86 -2.297 4.959 10.794 1.00 72.53 H new ATOM 0 HZ1 LYS A 86 -4.703 4.287 11.156 1.00 71.20 H new ATOM 0 HZ2 LYS A 86 -4.051 5.392 12.269 1.00 71.20 H new ATOM 0 HZ3 LYS A 86 -5.091 5.937 11.042 1.00 71.20 H new ATOM 427 N GLU A 87 2.472 5.047 8.946 1.00 54.41 N ATOM 428 CA GLU A 87 3.665 4.305 9.396 1.00 53.20 C ATOM 429 C GLU A 87 4.918 4.650 8.556 1.00 72.32 C ATOM 430 O GLU A 87 6.014 4.168 8.845 1.00 21.42 O ATOM 431 CB GLU A 87 3.350 2.788 9.348 1.00 34.34 C ATOM 432 CG GLU A 87 2.166 2.391 10.245 1.00 1.14 C ATOM 433 CD GLU A 87 1.778 0.909 10.155 1.00 32.23 C ATOM 434 OE1 GLU A 87 1.072 0.518 9.205 1.00 72.55 O ATOM 435 OE2 GLU A 87 2.159 0.138 11.043 1.00 2.35 O ATOM 0 H GLU A 87 1.872 4.499 8.329 1.00 54.41 H new ATOM 0 HA GLU A 87 3.900 4.599 10.419 1.00 53.20 H new ATOM 0 HB2 GLU A 87 3.132 2.500 8.320 1.00 34.34 H new ATOM 0 HB3 GLU A 87 4.234 2.229 9.655 1.00 34.34 H new ATOM 0 HG2 GLU A 87 2.413 2.628 11.280 1.00 1.14 H new ATOM 0 HG3 GLU A 87 1.302 2.998 9.977 1.00 1.14 H new ATOM 442 N ILE A 88 4.735 5.490 7.518 1.00 41.25 N ATOM 443 CA ILE A 88 5.841 6.054 6.717 1.00 63.25 C ATOM 444 C ILE A 88 6.646 7.094 7.526 1.00 53.32 C ATOM 445 O ILE A 88 7.862 7.213 7.349 1.00 55.44 O ATOM 446 CB ILE A 88 5.270 6.690 5.389 1.00 2.32 C ATOM 447 CG1 ILE A 88 4.622 5.583 4.517 1.00 65.22 C ATOM 448 CG2 ILE A 88 6.341 7.480 4.594 1.00 73.42 C ATOM 449 CD1 ILE A 88 3.830 6.084 3.328 1.00 44.32 C ATOM 0 H ILE A 88 3.813 5.798 7.210 1.00 41.25 H new ATOM 0 HA ILE A 88 6.525 5.247 6.455 1.00 63.25 H new ATOM 0 HB ILE A 88 4.509 7.418 5.670 1.00 2.32 H new ATOM 0 HG12 ILE A 88 5.408 4.919 4.157 1.00 65.22 H new ATOM 0 HG13 ILE A 88 3.963 4.985 5.147 1.00 65.22 H new ATOM 0 HG21 ILE A 88 5.892 7.895 3.691 1.00 73.42 H new ATOM 0 HG22 ILE A 88 6.728 8.290 5.212 1.00 73.42 H new ATOM 0 HG23 ILE A 88 7.157 6.811 4.319 1.00 73.42 H new ATOM 0 HD11 ILE A 88 3.417 5.236 2.782 1.00 44.32 H new ATOM 0 HD12 ILE A 88 3.017 6.722 3.675 1.00 44.32 H new ATOM 0 HD13 ILE A 88 4.484 6.655 2.670 1.00 44.32 H new ATOM 461 N ARG A 89 5.961 7.834 8.430 1.00 63.51 N ATOM 462 CA ARG A 89 6.593 8.894 9.238 1.00 30.41 C ATOM 463 C ARG A 89 7.652 8.319 10.229 1.00 23.35 C ATOM 464 O ARG A 89 8.803 8.779 10.188 1.00 41.55 O ATOM 465 CB ARG A 89 5.522 9.772 9.954 1.00 31.23 C ATOM 466 CG ARG A 89 6.094 10.967 10.750 1.00 44.42 C ATOM 467 CD ARG A 89 5.012 11.764 11.498 1.00 55.33 C ATOM 468 NE ARG A 89 5.558 12.952 12.182 1.00 52.42 N ATOM 469 CZ ARG A 89 5.365 13.266 13.472 1.00 45.14 C ATOM 470 NH1 ARG A 89 4.631 12.490 14.268 1.00 11.50 N ATOM 471 NH2 ARG A 89 5.898 14.379 13.964 1.00 51.23 N ATOM 0 H ARG A 89 4.965 7.712 8.616 1.00 63.51 H new ATOM 0 HA ARG A 89 7.137 9.547 8.556 1.00 30.41 H new ATOM 0 HB2 ARG A 89 4.824 10.151 9.207 1.00 31.23 H new ATOM 0 HB3 ARG A 89 4.950 9.141 10.634 1.00 31.23 H new ATOM 0 HG2 ARG A 89 6.828 10.600 11.467 1.00 44.42 H new ATOM 0 HG3 ARG A 89 6.621 11.633 10.067 1.00 44.42 H new ATOM 0 HD2 ARG A 89 4.242 12.077 10.792 1.00 55.33 H new ATOM 0 HD3 ARG A 89 4.529 11.117 12.230 1.00 55.33 H new ATOM 0 HE ARG A 89 6.131 13.588 11.627 1.00 52.42 H new ATOM 0 HH11 ARG A 89 4.204 11.640 13.899 1.00 11.50 H new ATOM 0 HH12 ARG A 89 4.496 12.746 15.246 1.00 11.50 H new ATOM 0 HH21 ARG A 89 6.450 14.989 13.362 1.00 51.23 H new ATOM 0 HH22 ARG A 89 5.755 14.623 14.944 1.00 51.23 H new ATOM 485 N PRO A 90 7.331 7.306 11.116 1.00 20.04 N ATOM 486 CA PRO A 90 8.358 6.697 12.005 1.00 74.44 C ATOM 487 C PRO A 90 9.489 5.988 11.209 1.00 10.30 C ATOM 488 O PRO A 90 10.652 6.043 11.612 1.00 3.01 O ATOM 489 CB PRO A 90 7.540 5.720 12.888 1.00 12.14 C ATOM 490 CG PRO A 90 6.314 5.421 12.090 1.00 20.12 C ATOM 491 CD PRO A 90 5.988 6.702 11.365 1.00 72.01 C ATOM 0 HA PRO A 90 8.895 7.439 12.596 1.00 74.44 H new ATOM 0 HB2 PRO A 90 8.104 4.812 13.101 1.00 12.14 H new ATOM 0 HB3 PRO A 90 7.287 6.171 13.848 1.00 12.14 H new ATOM 0 HG2 PRO A 90 6.491 4.606 11.388 1.00 20.12 H new ATOM 0 HG3 PRO A 90 5.491 5.114 12.735 1.00 20.12 H new ATOM 0 HD2 PRO A 90 5.453 6.513 10.434 1.00 72.01 H new ATOM 0 HD3 PRO A 90 5.358 7.356 11.967 1.00 72.01 H new ATOM 499 N THR A 91 9.134 5.368 10.063 1.00 64.33 N ATOM 500 CA THR A 91 10.111 4.761 9.123 1.00 22.33 C ATOM 501 C THR A 91 11.125 5.822 8.621 1.00 23.24 C ATOM 502 O THR A 91 12.344 5.600 8.633 1.00 60.33 O ATOM 503 CB THR A 91 9.365 4.102 7.922 1.00 43.33 C ATOM 504 OG1 THR A 91 8.566 3.012 8.404 1.00 12.41 O ATOM 505 CG2 THR A 91 10.308 3.593 6.815 1.00 1.21 C ATOM 0 H THR A 91 8.165 5.272 9.761 1.00 64.33 H new ATOM 0 HA THR A 91 10.667 3.988 9.654 1.00 22.33 H new ATOM 0 HB THR A 91 8.745 4.878 7.472 1.00 43.33 H new ATOM 0 HG1 THR A 91 7.656 3.328 8.586 1.00 12.41 H new ATOM 0 HG21 THR A 91 9.720 3.147 6.013 1.00 1.21 H new ATOM 0 HG22 THR A 91 10.888 4.427 6.420 1.00 1.21 H new ATOM 0 HG23 THR A 91 10.984 2.844 7.228 1.00 1.21 H new ATOM 513 N TYR A 92 10.590 6.991 8.228 1.00 51.14 N ATOM 514 CA TYR A 92 11.390 8.145 7.790 1.00 3.20 C ATOM 515 C TYR A 92 12.243 8.714 8.946 1.00 25.14 C ATOM 516 O TYR A 92 13.308 9.296 8.715 1.00 30.54 O ATOM 517 CB TYR A 92 10.461 9.243 7.205 1.00 0.35 C ATOM 518 CG TYR A 92 11.212 10.480 6.692 1.00 5.40 C ATOM 519 CD1 TYR A 92 12.045 10.388 5.585 1.00 0.24 C ATOM 520 CD2 TYR A 92 11.120 11.715 7.326 1.00 33.30 C ATOM 521 CE1 TYR A 92 12.751 11.469 5.130 1.00 14.22 C ATOM 522 CE2 TYR A 92 11.840 12.807 6.880 1.00 64.00 C ATOM 523 CZ TYR A 92 12.652 12.678 5.779 1.00 51.42 C ATOM 524 OH TYR A 92 13.397 13.756 5.343 1.00 13.34 O ATOM 0 H TYR A 92 9.585 7.161 8.206 1.00 51.14 H new ATOM 0 HA TYR A 92 12.076 7.807 7.013 1.00 3.20 H new ATOM 0 HB2 TYR A 92 9.880 8.817 6.387 1.00 0.35 H new ATOM 0 HB3 TYR A 92 9.751 9.552 7.972 1.00 0.35 H new ATOM 0 HD1 TYR A 92 12.138 9.442 5.071 1.00 0.24 H new ATOM 0 HD2 TYR A 92 10.473 11.822 8.184 1.00 33.30 H new ATOM 0 HE1 TYR A 92 13.386 11.373 4.262 1.00 14.22 H new ATOM 0 HE2 TYR A 92 11.765 13.755 7.393 1.00 64.00 H new ATOM 0 HH TYR A 92 14.204 13.434 4.890 1.00 13.34 H new ATOM 534 N ALA A 93 11.766 8.539 10.189 1.00 60.33 N ATOM 535 CA ALA A 93 12.487 8.978 11.400 1.00 14.40 C ATOM 536 C ALA A 93 13.583 7.976 11.815 1.00 42.44 C ATOM 537 O ALA A 93 14.243 8.158 12.846 1.00 53.23 O ATOM 538 CB ALA A 93 11.483 9.199 12.536 1.00 54.32 C ATOM 0 H ALA A 93 10.871 8.090 10.385 1.00 60.33 H new ATOM 0 HA ALA A 93 12.993 9.917 11.177 1.00 14.40 H new ATOM 0 HB1 ALA A 93 12.013 9.523 13.432 1.00 54.32 H new ATOM 0 HB2 ALA A 93 10.764 9.964 12.243 1.00 54.32 H new ATOM 0 HB3 ALA A 93 10.957 8.267 12.743 1.00 54.32 H new ATOM 544 N GLY A 94 13.775 6.918 11.003 1.00 33.05 N ATOM 545 CA GLY A 94 14.818 5.919 11.240 1.00 51.03 C ATOM 546 C GLY A 94 14.402 4.794 12.181 1.00 60.53 C ATOM 547 O GLY A 94 15.253 3.975 12.552 1.00 43.23 O ATOM 0 H GLY A 94 13.212 6.739 10.172 1.00 33.05 H new ATOM 0 HA2 GLY A 94 15.116 5.487 10.285 1.00 51.03 H new ATOM 0 HA3 GLY A 94 15.696 6.417 11.652 1.00 51.03 H new ATOM 551 N SER A 95 13.113 4.745 12.569 1.00 2.43 N ATOM 552 CA SER A 95 12.572 3.648 13.394 1.00 60.54 C ATOM 553 C SER A 95 12.484 2.337 12.574 1.00 4.34 C ATOM 554 O SER A 95 11.570 2.161 11.760 1.00 20.04 O ATOM 555 CB SER A 95 11.192 4.032 13.966 1.00 34.14 C ATOM 556 OG SER A 95 11.235 5.276 14.635 1.00 63.30 O ATOM 0 H SER A 95 12.424 5.456 12.323 1.00 2.43 H new ATOM 0 HA SER A 95 13.252 3.478 14.229 1.00 60.54 H new ATOM 0 HB2 SER A 95 10.462 4.078 13.158 1.00 34.14 H new ATOM 0 HB3 SER A 95 10.855 3.258 14.656 1.00 34.14 H new ATOM 0 HG SER A 95 10.345 5.491 14.984 1.00 63.30 H new ATOM 562 N LYS A 96 13.486 1.455 12.771 1.00 41.30 N ATOM 563 CA LYS A 96 13.583 0.144 12.092 1.00 61.05 C ATOM 564 C LYS A 96 12.397 -0.788 12.403 1.00 52.11 C ATOM 565 O LYS A 96 11.975 -1.560 11.538 1.00 32.44 O ATOM 566 CB LYS A 96 14.934 -0.536 12.452 1.00 35.02 C ATOM 567 CG LYS A 96 15.204 -0.716 13.964 1.00 22.22 C ATOM 568 CD LYS A 96 16.560 -1.404 14.254 1.00 42.41 C ATOM 569 CE LYS A 96 16.658 -2.817 13.662 1.00 33.33 C ATOM 570 NZ LYS A 96 17.947 -3.476 14.023 1.00 74.04 N ATOM 0 H LYS A 96 14.259 1.634 13.412 1.00 41.30 H new ATOM 0 HA LYS A 96 13.543 0.332 11.019 1.00 61.05 H new ATOM 0 HB2 LYS A 96 14.967 -1.516 11.975 1.00 35.02 H new ATOM 0 HB3 LYS A 96 15.744 0.054 12.023 1.00 35.02 H new ATOM 0 HG2 LYS A 96 15.185 0.259 14.450 1.00 22.22 H new ATOM 0 HG3 LYS A 96 14.401 -1.307 14.404 1.00 22.22 H new ATOM 0 HD2 LYS A 96 17.365 -0.791 13.850 1.00 42.41 H new ATOM 0 HD3 LYS A 96 16.710 -1.457 15.332 1.00 42.41 H new ATOM 0 HE2 LYS A 96 15.826 -3.422 14.023 1.00 33.33 H new ATOM 0 HE3 LYS A 96 16.567 -2.765 12.577 1.00 33.33 H new ATOM 0 HZ1 LYS A 96 17.979 -4.428 13.606 1.00 74.04 H new ATOM 0 HZ2 LYS A 96 18.740 -2.911 13.657 1.00 74.04 H new ATOM 0 HZ3 LYS A 96 18.022 -3.548 15.058 1.00 74.04 H new ATOM 584 N SER A 97 11.869 -0.690 13.633 1.00 70.04 N ATOM 585 CA SER A 97 10.716 -1.488 14.079 1.00 52.22 C ATOM 586 C SER A 97 9.458 -1.128 13.255 1.00 72.11 C ATOM 587 O SER A 97 8.693 -2.007 12.851 1.00 12.04 O ATOM 588 CB SER A 97 10.473 -1.274 15.591 1.00 34.21 C ATOM 589 OG SER A 97 11.642 -1.552 16.349 1.00 74.14 O ATOM 0 H SER A 97 12.229 -0.056 14.346 1.00 70.04 H new ATOM 0 HA SER A 97 10.932 -2.544 13.915 1.00 52.22 H new ATOM 0 HB2 SER A 97 10.159 -0.245 15.768 1.00 34.21 H new ATOM 0 HB3 SER A 97 9.659 -1.918 15.925 1.00 34.21 H new ATOM 0 HG SER A 97 11.457 -1.406 17.300 1.00 74.14 H new ATOM 595 N ALA A 98 9.269 0.180 13.012 1.00 44.40 N ATOM 596 CA ALA A 98 8.188 0.705 12.168 1.00 14.14 C ATOM 597 C ALA A 98 8.381 0.326 10.695 1.00 42.22 C ATOM 598 O ALA A 98 7.408 0.073 9.986 1.00 71.03 O ATOM 599 CB ALA A 98 8.113 2.225 12.311 1.00 24.11 C ATOM 0 H ALA A 98 9.869 0.907 13.401 1.00 44.40 H new ATOM 0 HA ALA A 98 7.253 0.257 12.504 1.00 14.14 H new ATOM 0 HB1 ALA A 98 7.310 2.610 11.683 1.00 24.11 H new ATOM 0 HB2 ALA A 98 7.916 2.483 13.351 1.00 24.11 H new ATOM 0 HB3 ALA A 98 9.060 2.667 12.001 1.00 24.11 H new ATOM 605 N MET A 99 9.652 0.306 10.260 1.00 34.14 N ATOM 606 CA MET A 99 10.045 0.036 8.862 1.00 54.20 C ATOM 607 C MET A 99 9.772 -1.421 8.445 1.00 72.42 C ATOM 608 O MET A 99 9.257 -1.662 7.353 1.00 35.43 O ATOM 609 CB MET A 99 11.535 0.428 8.660 1.00 50.35 C ATOM 610 CG MET A 99 12.159 0.065 7.292 1.00 24.43 C ATOM 611 SD MET A 99 12.779 -1.628 7.228 1.00 63.10 S ATOM 612 CE MET A 99 14.033 -1.578 8.509 1.00 14.14 C ATOM 0 H MET A 99 10.447 0.479 10.875 1.00 34.14 H new ATOM 0 HA MET A 99 9.426 0.649 8.207 1.00 54.20 H new ATOM 0 HB2 MET A 99 11.628 1.504 8.804 1.00 50.35 H new ATOM 0 HB3 MET A 99 12.124 -0.050 9.443 1.00 50.35 H new ATOM 0 HG2 MET A 99 11.412 0.203 6.510 1.00 24.43 H new ATOM 0 HG3 MET A 99 12.976 0.754 7.077 1.00 24.43 H new ATOM 0 HE1 MET A 99 14.933 -2.082 8.157 1.00 14.14 H new ATOM 0 HE2 MET A 99 14.267 -0.541 8.748 1.00 14.14 H new ATOM 0 HE3 MET A 99 13.662 -2.081 9.402 1.00 14.14 H new ATOM 622 N GLU A 100 10.112 -2.387 9.323 1.00 72.11 N ATOM 623 CA GLU A 100 9.863 -3.826 9.066 1.00 21.00 C ATOM 624 C GLU A 100 8.348 -4.133 9.073 1.00 54.00 C ATOM 625 O GLU A 100 7.860 -4.945 8.277 1.00 63.35 O ATOM 626 CB GLU A 100 10.625 -4.709 10.100 1.00 21.45 C ATOM 627 CG GLU A 100 10.277 -4.416 11.566 1.00 11.12 C ATOM 628 CD GLU A 100 10.950 -5.358 12.575 1.00 41.44 C ATOM 629 OE1 GLU A 100 12.089 -5.076 12.995 1.00 54.33 O ATOM 630 OE2 GLU A 100 10.343 -6.379 12.947 1.00 53.35 O ATOM 0 H GLU A 100 10.561 -2.199 10.219 1.00 72.11 H new ATOM 0 HA GLU A 100 10.244 -4.068 8.074 1.00 21.00 H new ATOM 0 HB2 GLU A 100 10.411 -5.757 9.891 1.00 21.45 H new ATOM 0 HB3 GLU A 100 11.697 -4.568 9.959 1.00 21.45 H new ATOM 0 HG2 GLU A 100 10.563 -3.390 11.797 1.00 11.12 H new ATOM 0 HG3 GLU A 100 9.196 -4.481 11.691 1.00 11.12 H new ATOM 637 N ARG A 101 7.626 -3.436 9.963 1.00 73.34 N ATOM 638 CA ARG A 101 6.152 -3.440 10.045 1.00 21.43 C ATOM 639 C ARG A 101 5.550 -2.853 8.747 1.00 12.30 C ATOM 640 O ARG A 101 4.606 -3.409 8.186 1.00 54.24 O ATOM 641 CB ARG A 101 5.745 -2.624 11.309 1.00 52.44 C ATOM 642 CG ARG A 101 4.270 -2.191 11.463 1.00 62.22 C ATOM 643 CD ARG A 101 3.238 -3.325 11.681 1.00 2.33 C ATOM 644 NE ARG A 101 2.827 -4.000 10.438 1.00 2.40 N ATOM 645 CZ ARG A 101 1.916 -3.518 9.565 1.00 22.05 C ATOM 646 NH1 ARG A 101 1.315 -2.346 9.757 1.00 11.03 N ATOM 647 NH2 ARG A 101 1.622 -4.214 8.478 1.00 73.14 N ATOM 0 H ARG A 101 8.060 -2.837 10.666 1.00 73.34 H new ATOM 0 HA ARG A 101 5.762 -4.454 10.139 1.00 21.43 H new ATOM 0 HB2 ARG A 101 6.010 -3.216 12.185 1.00 52.44 H new ATOM 0 HB3 ARG A 101 6.359 -1.724 11.335 1.00 52.44 H new ATOM 0 HG2 ARG A 101 4.203 -1.501 12.304 1.00 62.22 H new ATOM 0 HG3 ARG A 101 3.983 -1.634 10.571 1.00 62.22 H new ATOM 0 HD2 ARG A 101 3.662 -4.063 12.362 1.00 2.33 H new ATOM 0 HD3 ARG A 101 2.355 -2.912 12.168 1.00 2.33 H new ATOM 0 HE ARG A 101 3.262 -4.897 10.221 1.00 2.40 H new ATOM 0 HH11 ARG A 101 1.539 -1.787 10.580 1.00 11.03 H new ATOM 0 HH12 ARG A 101 0.631 -2.007 9.081 1.00 11.03 H new ATOM 0 HH21 ARG A 101 2.082 -5.108 8.305 1.00 73.14 H new ATOM 0 HH22 ARG A 101 0.935 -3.857 7.814 1.00 73.14 H new ATOM 661 N LEU A 102 6.168 -1.763 8.243 1.00 61.31 N ATOM 662 CA LEU A 102 5.721 -1.065 7.023 1.00 23.03 C ATOM 663 C LEU A 102 5.864 -1.985 5.791 1.00 1.14 C ATOM 664 O LEU A 102 4.961 -2.061 4.951 1.00 41.32 O ATOM 665 CB LEU A 102 6.534 0.250 6.824 1.00 0.00 C ATOM 666 CG LEU A 102 6.078 1.167 5.652 1.00 72.03 C ATOM 667 CD1 LEU A 102 4.630 1.620 5.831 1.00 3.13 C ATOM 668 CD2 LEU A 102 7.014 2.373 5.476 1.00 12.11 C ATOM 0 H LEU A 102 6.992 -1.343 8.673 1.00 61.31 H new ATOM 0 HA LEU A 102 4.668 -0.806 7.136 1.00 23.03 H new ATOM 0 HB2 LEU A 102 6.487 0.826 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.580 -0.014 6.666 1.00 0.00 H new ATOM 0 HG LEU A 102 6.133 0.573 4.740 1.00 72.03 H new ATOM 0 HD11 LEU A 102 4.343 2.259 4.996 1.00 3.13 H new ATOM 0 HD12 LEU A 102 3.977 0.748 5.862 1.00 3.13 H new ATOM 0 HD13 LEU A 102 4.536 2.177 6.763 1.00 3.13 H new ATOM 0 HD21 LEU A 102 6.662 2.989 4.648 1.00 12.11 H new ATOM 0 HD22 LEU A 102 7.021 2.965 6.391 1.00 12.11 H new ATOM 0 HD23 LEU A 102 8.024 2.022 5.263 1.00 12.11 H new ATOM 680 N LYS A 103 7.008 -2.702 5.720 1.00 44.33 N ATOM 681 CA LYS A 103 7.280 -3.693 4.659 1.00 32.43 C ATOM 682 C LYS A 103 6.310 -4.883 4.742 1.00 54.21 C ATOM 683 O LYS A 103 5.850 -5.370 3.710 1.00 25.42 O ATOM 684 CB LYS A 103 8.751 -4.191 4.732 1.00 14.01 C ATOM 685 CG LYS A 103 9.813 -3.091 4.497 1.00 52.41 C ATOM 686 CD LYS A 103 11.262 -3.638 4.528 1.00 4.15 C ATOM 687 CE LYS A 103 11.600 -4.356 5.838 1.00 22.04 C ATOM 688 NZ LYS A 103 13.008 -4.850 5.857 1.00 73.25 N ATOM 0 H LYS A 103 7.766 -2.609 6.396 1.00 44.33 H new ATOM 0 HA LYS A 103 7.127 -3.198 3.700 1.00 32.43 H new ATOM 0 HB2 LYS A 103 8.921 -4.640 5.711 1.00 14.01 H new ATOM 0 HB3 LYS A 103 8.892 -4.978 3.992 1.00 14.01 H new ATOM 0 HG2 LYS A 103 9.630 -2.616 3.533 1.00 52.41 H new ATOM 0 HG3 LYS A 103 9.705 -2.319 5.259 1.00 52.41 H new ATOM 0 HD2 LYS A 103 11.403 -4.327 3.695 1.00 4.15 H new ATOM 0 HD3 LYS A 103 11.960 -2.813 4.381 1.00 4.15 H new ATOM 0 HE2 LYS A 103 11.443 -3.676 6.675 1.00 22.04 H new ATOM 0 HE3 LYS A 103 10.919 -5.196 5.977 1.00 22.04 H new ATOM 0 HZ1 LYS A 103 13.195 -5.330 6.761 1.00 73.25 H new ATOM 0 HZ2 LYS A 103 13.152 -5.519 5.074 1.00 73.25 H new ATOM 0 HZ3 LYS A 103 13.659 -4.046 5.750 1.00 73.25 H new ATOM 702 N ARG A 104 5.985 -5.331 5.982 1.00 1.05 N ATOM 703 CA ARG A 104 4.977 -6.390 6.198 1.00 31.14 C ATOM 704 C ARG A 104 3.587 -5.923 5.718 1.00 40.12 C ATOM 705 O ARG A 104 2.748 -6.738 5.321 1.00 43.34 O ATOM 706 CB ARG A 104 4.934 -6.857 7.683 1.00 72.30 C ATOM 707 CG ARG A 104 3.953 -8.024 7.931 1.00 15.24 C ATOM 708 CD ARG A 104 3.947 -8.571 9.368 1.00 34.43 C ATOM 709 NE ARG A 104 2.849 -9.548 9.541 1.00 73.55 N ATOM 710 CZ ARG A 104 2.654 -10.342 10.612 1.00 63.14 C ATOM 711 NH1 ARG A 104 3.476 -10.303 11.662 1.00 43.03 N ATOM 712 NH2 ARG A 104 1.594 -11.147 10.645 1.00 1.21 N ATOM 0 H ARG A 104 6.406 -4.975 6.840 1.00 1.05 H new ATOM 0 HA ARG A 104 5.273 -7.253 5.602 1.00 31.14 H new ATOM 0 HB2 ARG A 104 5.935 -7.162 7.989 1.00 72.30 H new ATOM 0 HB3 ARG A 104 4.651 -6.014 8.313 1.00 72.30 H new ATOM 0 HG2 ARG A 104 2.946 -7.692 7.680 1.00 15.24 H new ATOM 0 HG3 ARG A 104 4.200 -8.838 7.249 1.00 15.24 H new ATOM 0 HD2 ARG A 104 4.903 -9.046 9.588 1.00 34.43 H new ATOM 0 HD3 ARG A 104 3.828 -7.751 10.076 1.00 34.43 H new ATOM 0 HE ARG A 104 2.177 -9.628 8.778 1.00 73.55 H new ATOM 0 HH11 ARG A 104 4.270 -9.663 11.664 1.00 43.03 H new ATOM 0 HH12 ARG A 104 3.310 -10.913 12.463 1.00 43.03 H new ATOM 0 HH21 ARG A 104 0.938 -11.159 9.864 1.00 1.21 H new ATOM 0 HH22 ARG A 104 1.438 -11.752 11.451 1.00 1.21 H new ATOM 726 N GLY A 105 3.367 -4.594 5.756 1.00 71.03 N ATOM 727 CA GLY A 105 2.209 -3.980 5.118 1.00 74.21 C ATOM 728 C GLY A 105 2.114 -4.322 3.633 1.00 51.34 C ATOM 729 O GLY A 105 1.064 -4.743 3.169 1.00 33.43 O ATOM 0 H GLY A 105 3.984 -3.932 6.226 1.00 71.03 H new ATOM 0 HA2 GLY A 105 1.301 -4.310 5.623 1.00 74.21 H new ATOM 0 HA3 GLY A 105 2.264 -2.898 5.236 1.00 74.21 H new ATOM 733 N ILE A 106 3.238 -4.185 2.909 1.00 34.33 N ATOM 734 CA ILE A 106 3.310 -4.501 1.465 1.00 23.53 C ATOM 735 C ILE A 106 3.173 -6.024 1.208 1.00 73.30 C ATOM 736 O ILE A 106 2.539 -6.423 0.235 1.00 33.41 O ATOM 737 CB ILE A 106 4.632 -3.911 0.815 1.00 23.05 C ATOM 738 CG1 ILE A 106 4.495 -2.369 0.586 1.00 35.21 C ATOM 739 CG2 ILE A 106 5.043 -4.618 -0.501 1.00 51.21 C ATOM 740 CD1 ILE A 106 4.547 -1.514 1.830 1.00 61.40 C ATOM 0 H ILE A 106 4.119 -3.854 3.302 1.00 34.33 H new ATOM 0 HA ILE A 106 2.463 -4.018 0.978 1.00 23.53 H new ATOM 0 HB ILE A 106 5.432 -4.103 1.530 1.00 23.05 H new ATOM 0 HG12 ILE A 106 5.291 -2.048 -0.086 1.00 35.21 H new ATOM 0 HG13 ILE A 106 3.551 -2.179 0.076 1.00 35.21 H new ATOM 0 HG21 ILE A 106 5.954 -4.163 -0.889 1.00 51.21 H new ATOM 0 HG22 ILE A 106 5.220 -5.676 -0.306 1.00 51.21 H new ATOM 0 HG23 ILE A 106 4.244 -4.513 -1.235 1.00 51.21 H new ATOM 0 HD11 ILE A 106 4.443 -0.464 1.555 1.00 61.40 H new ATOM 0 HD12 ILE A 106 3.734 -1.796 2.500 1.00 61.40 H new ATOM 0 HD13 ILE A 106 5.502 -1.664 2.335 1.00 61.40 H new ATOM 752 N ILE A 107 3.738 -6.853 2.108 1.00 24.22 N ATOM 753 CA ILE A 107 3.641 -8.330 2.019 1.00 32.23 C ATOM 754 C ILE A 107 2.161 -8.777 2.113 1.00 22.32 C ATOM 755 O ILE A 107 1.670 -9.569 1.291 1.00 43.41 O ATOM 756 CB ILE A 107 4.493 -9.022 3.159 1.00 34.44 C ATOM 757 CG1 ILE A 107 5.984 -8.556 3.091 1.00 32.43 C ATOM 758 CG2 ILE A 107 4.392 -10.568 3.086 1.00 2.22 C ATOM 759 CD1 ILE A 107 6.850 -9.002 4.263 1.00 41.01 C ATOM 0 H ILE A 107 4.271 -6.524 2.913 1.00 24.22 H new ATOM 0 HA ILE A 107 4.044 -8.640 1.055 1.00 32.23 H new ATOM 0 HB ILE A 107 4.079 -8.713 4.119 1.00 34.44 H new ATOM 0 HG12 ILE A 107 6.425 -8.932 2.168 1.00 32.43 H new ATOM 0 HG13 ILE A 107 6.007 -7.468 3.035 1.00 32.43 H new ATOM 0 HG21 ILE A 107 4.989 -11.010 3.884 1.00 2.22 H new ATOM 0 HG22 ILE A 107 3.351 -10.871 3.202 1.00 2.22 H new ATOM 0 HG23 ILE A 107 4.764 -10.912 2.121 1.00 2.22 H new ATOM 0 HD11 ILE A 107 7.866 -8.631 4.127 1.00 41.01 H new ATOM 0 HD12 ILE A 107 6.440 -8.603 5.191 1.00 41.01 H new ATOM 0 HD13 ILE A 107 6.865 -10.091 4.311 1.00 41.01 H new ATOM 771 N HIS A 108 1.464 -8.193 3.098 1.00 71.52 N ATOM 772 CA HIS A 108 0.045 -8.462 3.383 1.00 52.40 C ATOM 773 C HIS A 108 -0.851 -7.920 2.251 1.00 42.43 C ATOM 774 O HIS A 108 -1.751 -8.619 1.777 1.00 2.40 O ATOM 775 CB HIS A 108 -0.347 -7.842 4.748 1.00 65.41 C ATOM 776 CG HIS A 108 -1.767 -8.111 5.175 1.00 52.13 C ATOM 777 ND1 HIS A 108 -2.613 -7.136 5.649 1.00 40.23 N ATOM 778 CD2 HIS A 108 -2.485 -9.256 5.190 1.00 25.22 C ATOM 779 CE1 HIS A 108 -3.783 -7.668 5.936 1.00 53.33 C ATOM 780 NE2 HIS A 108 -3.733 -8.951 5.662 1.00 0.23 N ATOM 0 H HIS A 108 1.877 -7.508 3.731 1.00 71.52 H new ATOM 0 HA HIS A 108 -0.105 -9.540 3.437 1.00 52.40 H new ATOM 0 HB2 HIS A 108 0.327 -8.226 5.513 1.00 65.41 H new ATOM 0 HB3 HIS A 108 -0.194 -6.764 4.700 1.00 65.41 H new ATOM 0 HD2 HIS A 108 -2.138 -10.232 4.885 1.00 25.22 H new ATOM 0 HE1 HIS A 108 -4.638 -7.139 6.330 1.00 53.33 H new ATOM 0 HE2 HIS A 108 -4.500 -9.613 5.781 1.00 0.23 H new ATOM 789 N ALA A 109 -0.556 -6.686 1.804 1.00 51.12 N ATOM 790 CA ALA A 109 -1.332 -5.990 0.763 1.00 25.31 C ATOM 791 C ALA A 109 -1.246 -6.724 -0.577 1.00 21.14 C ATOM 792 O ALA A 109 -2.256 -6.919 -1.249 1.00 40.31 O ATOM 793 CB ALA A 109 -0.827 -4.558 0.592 1.00 32.12 C ATOM 0 H ALA A 109 0.231 -6.142 2.157 1.00 51.12 H new ATOM 0 HA ALA A 109 -2.374 -5.973 1.083 1.00 25.31 H new ATOM 0 HB1 ALA A 109 -1.410 -4.056 -0.180 1.00 32.12 H new ATOM 0 HB2 ALA A 109 -0.933 -4.020 1.534 1.00 32.12 H new ATOM 0 HB3 ALA A 109 0.223 -4.575 0.300 1.00 32.12 H new ATOM 799 N ARG A 110 -0.019 -7.157 -0.916 1.00 14.12 N ATOM 800 CA ARG A 110 0.295 -7.813 -2.197 1.00 10.13 C ATOM 801 C ARG A 110 -0.471 -9.128 -2.334 1.00 72.14 C ATOM 802 O ARG A 110 -1.019 -9.429 -3.397 1.00 13.11 O ATOM 803 CB ARG A 110 1.817 -8.082 -2.274 1.00 12.01 C ATOM 804 CG ARG A 110 2.320 -8.667 -3.602 1.00 64.11 C ATOM 805 CD ARG A 110 3.809 -9.017 -3.539 1.00 72.15 C ATOM 806 NE ARG A 110 4.642 -7.883 -3.109 1.00 65.04 N ATOM 807 CZ ARG A 110 5.684 -7.392 -3.793 1.00 14.22 C ATOM 808 NH1 ARG A 110 6.051 -7.923 -4.971 1.00 52.01 N ATOM 809 NH2 ARG A 110 6.373 -6.381 -3.275 1.00 73.32 N ATOM 0 H ARG A 110 0.790 -7.060 -0.302 1.00 14.12 H new ATOM 0 HA ARG A 110 -0.005 -7.155 -3.012 1.00 10.13 H new ATOM 0 HB2 ARG A 110 2.343 -7.146 -2.087 1.00 12.01 H new ATOM 0 HB3 ARG A 110 2.088 -8.766 -1.470 1.00 12.01 H new ATOM 0 HG2 ARG A 110 1.746 -9.561 -3.846 1.00 64.11 H new ATOM 0 HG3 ARG A 110 2.149 -7.949 -4.404 1.00 64.11 H new ATOM 0 HD2 ARG A 110 3.953 -9.850 -2.851 1.00 72.15 H new ATOM 0 HD3 ARG A 110 4.141 -9.354 -4.521 1.00 72.15 H new ATOM 0 HE ARG A 110 4.408 -7.436 -2.222 1.00 65.04 H new ATOM 0 HH11 ARG A 110 5.534 -8.712 -5.358 1.00 52.01 H new ATOM 0 HH12 ARG A 110 6.847 -7.537 -5.479 1.00 52.01 H new ATOM 0 HH21 ARG A 110 6.106 -5.992 -2.371 1.00 73.32 H new ATOM 0 HH22 ARG A 110 7.169 -5.994 -3.781 1.00 73.32 H new ATOM 823 N ALA A 111 -0.533 -9.867 -1.210 1.00 33.22 N ATOM 824 CA ALA A 111 -1.235 -11.149 -1.121 1.00 2.22 C ATOM 825 C ALA A 111 -2.746 -10.966 -1.346 1.00 11.14 C ATOM 826 O ALA A 111 -3.388 -11.805 -1.973 1.00 13.22 O ATOM 827 CB ALA A 111 -0.972 -11.791 0.239 1.00 61.14 C ATOM 0 H ALA A 111 -0.092 -9.584 -0.335 1.00 33.22 H new ATOM 0 HA ALA A 111 -0.857 -11.806 -1.904 1.00 2.22 H new ATOM 0 HB1 ALA A 111 -1.497 -12.744 0.299 1.00 61.14 H new ATOM 0 HB2 ALA A 111 0.098 -11.958 0.362 1.00 61.14 H new ATOM 0 HB3 ALA A 111 -1.329 -11.130 1.029 1.00 61.14 H new ATOM 833 N LEU A 112 -3.281 -9.844 -0.829 1.00 13.00 N ATOM 834 CA LEU A 112 -4.703 -9.474 -0.973 1.00 33.55 C ATOM 835 C LEU A 112 -5.039 -9.103 -2.434 1.00 63.04 C ATOM 836 O LEU A 112 -6.042 -9.578 -2.975 1.00 55.33 O ATOM 837 CB LEU A 112 -5.048 -8.301 -0.009 1.00 1.02 C ATOM 838 CG LEU A 112 -4.979 -8.635 1.518 1.00 25.45 C ATOM 839 CD1 LEU A 112 -5.076 -7.364 2.381 1.00 23.11 C ATOM 840 CD2 LEU A 112 -6.065 -9.655 1.909 1.00 3.22 C ATOM 0 H LEU A 112 -2.737 -9.165 -0.297 1.00 13.00 H new ATOM 0 HA LEU A 112 -5.312 -10.338 -0.706 1.00 33.55 H new ATOM 0 HB2 LEU A 112 -4.366 -7.475 -0.213 1.00 1.02 H new ATOM 0 HB3 LEU A 112 -6.053 -7.949 -0.240 1.00 1.02 H new ATOM 0 HG LEU A 112 -4.006 -9.087 1.711 1.00 25.45 H new ATOM 0 HD11 LEU A 112 -5.025 -7.635 3.435 1.00 23.11 H new ATOM 0 HD12 LEU A 112 -4.250 -6.695 2.138 1.00 23.11 H new ATOM 0 HD13 LEU A 112 -6.022 -6.860 2.182 1.00 23.11 H new ATOM 0 HD21 LEU A 112 -5.995 -9.870 2.975 1.00 3.22 H new ATOM 0 HD22 LEU A 112 -7.049 -9.243 1.686 1.00 3.22 H new ATOM 0 HD23 LEU A 112 -5.920 -10.575 1.343 1.00 3.22 H new ATOM 852 N VAL A 113 -4.169 -8.291 -3.074 1.00 3.13 N ATOM 853 CA VAL A 113 -4.407 -7.798 -4.447 1.00 72.24 C ATOM 854 C VAL A 113 -4.348 -8.940 -5.477 1.00 64.14 C ATOM 855 O VAL A 113 -5.251 -9.079 -6.305 1.00 33.20 O ATOM 856 CB VAL A 113 -3.403 -6.658 -4.883 1.00 25.14 C ATOM 857 CG1 VAL A 113 -3.768 -6.097 -6.277 1.00 32.14 C ATOM 858 CG2 VAL A 113 -3.332 -5.516 -3.853 1.00 13.15 C ATOM 0 H VAL A 113 -3.296 -7.964 -2.661 1.00 3.13 H new ATOM 0 HA VAL A 113 -5.410 -7.372 -4.427 1.00 72.24 H new ATOM 0 HB VAL A 113 -2.416 -7.117 -4.935 1.00 25.14 H new ATOM 0 HG11 VAL A 113 -3.060 -5.314 -6.551 1.00 32.14 H new ATOM 0 HG12 VAL A 113 -3.726 -6.899 -7.014 1.00 32.14 H new ATOM 0 HG13 VAL A 113 -4.775 -5.682 -6.250 1.00 32.14 H new ATOM 0 HG21 VAL A 113 -2.629 -4.758 -4.198 1.00 13.15 H new ATOM 0 HG22 VAL A 113 -4.319 -5.069 -3.737 1.00 13.15 H new ATOM 0 HG23 VAL A 113 -2.997 -5.911 -2.894 1.00 13.15 H new ATOM 868 N ARG A 114 -3.294 -9.777 -5.376 1.00 12.51 N ATOM 869 CA ARG A 114 -2.975 -10.794 -6.396 1.00 12.20 C ATOM 870 C ARG A 114 -4.090 -11.861 -6.557 1.00 35.52 C ATOM 871 O ARG A 114 -4.421 -12.260 -7.675 1.00 54.42 O ATOM 872 CB ARG A 114 -1.611 -11.470 -6.086 1.00 60.24 C ATOM 873 CG ARG A 114 -1.558 -12.254 -4.765 1.00 74.43 C ATOM 874 CD ARG A 114 -0.220 -12.976 -4.567 1.00 63.41 C ATOM 875 NE ARG A 114 0.019 -13.973 -5.614 1.00 65.34 N ATOM 876 CZ ARG A 114 0.945 -14.938 -5.560 1.00 62.53 C ATOM 877 NH1 ARG A 114 1.762 -15.068 -4.501 1.00 40.23 N ATOM 878 NH2 ARG A 114 1.054 -15.771 -6.574 1.00 12.22 N ATOM 0 H ARG A 114 -2.645 -9.766 -4.589 1.00 12.51 H new ATOM 0 HA ARG A 114 -2.906 -10.269 -7.349 1.00 12.20 H new ATOM 0 HB2 ARG A 114 -1.365 -12.148 -6.903 1.00 60.24 H new ATOM 0 HB3 ARG A 114 -0.838 -10.701 -6.066 1.00 60.24 H new ATOM 0 HG2 ARG A 114 -1.725 -11.570 -3.933 1.00 74.43 H new ATOM 0 HG3 ARG A 114 -2.368 -12.983 -4.746 1.00 74.43 H new ATOM 0 HD2 ARG A 114 0.590 -12.247 -4.567 1.00 63.41 H new ATOM 0 HD3 ARG A 114 -0.210 -13.463 -3.592 1.00 63.41 H new ATOM 0 HE ARG A 114 -0.566 -13.928 -6.449 1.00 65.34 H new ATOM 0 HH11 ARG A 114 1.684 -14.423 -3.715 1.00 40.23 H new ATOM 0 HH12 ARG A 114 2.460 -15.812 -4.483 1.00 40.23 H new ATOM 0 HH21 ARG A 114 0.439 -15.674 -7.382 1.00 12.22 H new ATOM 0 HH22 ARG A 114 1.754 -16.513 -6.552 1.00 12.22 H new ATOM 1319 N THR B 75 -4.792 -4.304 -11.197 1.00 72.45 N ATOM 1320 CA THR B 75 -3.429 -4.892 -11.270 1.00 33.42 C ATOM 1321 C THR B 75 -2.375 -3.764 -11.191 1.00 60.22 C ATOM 1322 O THR B 75 -1.198 -3.989 -10.868 1.00 74.00 O ATOM 1323 CB THR B 75 -3.254 -5.723 -12.588 1.00 55.01 C ATOM 1324 OG1 THR B 75 -4.419 -6.527 -12.798 1.00 63.14 O ATOM 1325 CG2 THR B 75 -2.025 -6.655 -12.558 1.00 41.21 C ATOM 0 HA THR B 75 -3.288 -5.569 -10.428 1.00 33.42 H new ATOM 0 HB THR B 75 -3.108 -5.004 -13.394 1.00 55.01 H new ATOM 0 HG1 THR B 75 -5.178 -6.135 -12.317 1.00 63.14 H new ATOM 0 HG21 THR B 75 -1.960 -7.202 -13.499 1.00 41.21 H new ATOM 0 HG22 THR B 75 -1.121 -6.061 -12.420 1.00 41.21 H new ATOM 0 HG23 THR B 75 -2.124 -7.361 -11.734 1.00 41.21 H new ATOM 1333 N ASP B 76 -2.852 -2.545 -11.495 1.00 4.20 N ATOM 1334 CA ASP B 76 -2.136 -1.288 -11.277 1.00 15.14 C ATOM 1335 C ASP B 76 -1.856 -1.090 -9.782 1.00 13.11 C ATOM 1336 O ASP B 76 -0.793 -0.608 -9.406 1.00 34.44 O ATOM 1337 CB ASP B 76 -2.979 -0.121 -11.833 1.00 42.22 C ATOM 1338 CG ASP B 76 -2.365 1.264 -11.603 1.00 20.24 C ATOM 1339 OD1 ASP B 76 -1.339 1.572 -12.242 1.00 1.53 O ATOM 1340 OD2 ASP B 76 -2.928 2.065 -10.829 1.00 3.45 O ATOM 0 H ASP B 76 -3.773 -2.409 -11.911 1.00 4.20 H new ATOM 0 HA ASP B 76 -1.179 -1.317 -11.799 1.00 15.14 H new ATOM 0 HB2 ASP B 76 -3.122 -0.269 -12.903 1.00 42.22 H new ATOM 0 HB3 ASP B 76 -3.966 -0.149 -11.372 1.00 42.22 H new ATOM 1345 N LEU B 77 -2.829 -1.499 -8.942 1.00 72.10 N ATOM 1346 CA LEU B 77 -2.680 -1.495 -7.480 1.00 51.30 C ATOM 1347 C LEU B 77 -1.572 -2.468 -7.039 1.00 25.15 C ATOM 1348 O LEU B 77 -0.753 -2.100 -6.213 1.00 21.35 O ATOM 1349 CB LEU B 77 -4.027 -1.833 -6.782 1.00 42.35 C ATOM 1350 CG LEU B 77 -4.010 -1.882 -5.218 1.00 45.11 C ATOM 1351 CD1 LEU B 77 -3.432 -0.600 -4.602 1.00 71.53 C ATOM 1352 CD2 LEU B 77 -5.412 -2.157 -4.661 1.00 22.10 C ATOM 0 H LEU B 77 -3.736 -1.840 -9.261 1.00 72.10 H new ATOM 0 HA LEU B 77 -2.388 -0.490 -7.174 1.00 51.30 H new ATOM 0 HB2 LEU B 77 -4.767 -1.095 -7.092 1.00 42.35 H new ATOM 0 HB3 LEU B 77 -4.369 -2.800 -7.150 1.00 42.35 H new ATOM 0 HG LEU B 77 -3.353 -2.705 -4.937 1.00 45.11 H new ATOM 0 HD11 LEU B 77 -3.441 -0.682 -3.515 1.00 71.53 H new ATOM 0 HD12 LEU B 77 -2.407 -0.461 -4.947 1.00 71.53 H new ATOM 0 HD13 LEU B 77 -4.036 0.254 -4.906 1.00 71.53 H new ATOM 0 HD21 LEU B 77 -5.372 -2.186 -3.572 1.00 22.10 H new ATOM 0 HD22 LEU B 77 -6.091 -1.366 -4.978 1.00 22.10 H new ATOM 0 HD23 LEU B 77 -5.771 -3.115 -5.036 1.00 22.10 H new ATOM 1364 N LEU B 78 -1.526 -3.688 -7.636 1.00 1.31 N ATOM 1365 CA LEU B 78 -0.465 -4.692 -7.334 1.00 54.45 C ATOM 1366 C LEU B 78 0.935 -4.118 -7.634 1.00 34.02 C ATOM 1367 O LEU B 78 1.903 -4.367 -6.898 1.00 14.51 O ATOM 1368 CB LEU B 78 -0.683 -5.996 -8.154 1.00 42.21 C ATOM 1369 CG LEU B 78 0.251 -7.199 -7.783 1.00 41.21 C ATOM 1370 CD1 LEU B 78 0.020 -7.681 -6.340 1.00 62.21 C ATOM 1371 CD2 LEU B 78 0.109 -8.355 -8.792 1.00 12.40 C ATOM 0 H LEU B 78 -2.208 -4.001 -8.327 1.00 1.31 H new ATOM 0 HA LEU B 78 -0.530 -4.930 -6.272 1.00 54.45 H new ATOM 0 HB2 LEU B 78 -1.719 -6.312 -8.029 1.00 42.21 H new ATOM 0 HB3 LEU B 78 -0.545 -5.766 -9.210 1.00 42.21 H new ATOM 0 HG LEU B 78 1.277 -6.837 -7.840 1.00 41.21 H new ATOM 0 HD11 LEU B 78 0.687 -8.515 -6.124 1.00 62.21 H new ATOM 0 HD12 LEU B 78 0.223 -6.865 -5.647 1.00 62.21 H new ATOM 0 HD13 LEU B 78 -1.015 -8.005 -6.226 1.00 62.21 H new ATOM 0 HD21 LEU B 78 0.771 -9.172 -8.504 1.00 12.40 H new ATOM 0 HD22 LEU B 78 -0.922 -8.708 -8.798 1.00 12.40 H new ATOM 0 HD23 LEU B 78 0.378 -8.004 -9.788 1.00 12.40 H new ATOM 1383 N SER B 79 0.997 -3.305 -8.708 1.00 25.24 N ATOM 1384 CA SER B 79 2.193 -2.552 -9.082 1.00 74.41 C ATOM 1385 C SER B 79 2.569 -1.548 -7.965 1.00 21.53 C ATOM 1386 O SER B 79 3.692 -1.588 -7.469 1.00 65.41 O ATOM 1387 CB SER B 79 1.962 -1.827 -10.424 1.00 52.33 C ATOM 1388 OG SER B 79 3.067 -1.023 -10.798 1.00 41.05 O ATOM 0 H SER B 79 0.209 -3.157 -9.339 1.00 25.24 H new ATOM 0 HA SER B 79 3.025 -3.245 -9.205 1.00 74.41 H new ATOM 0 HB2 SER B 79 1.771 -2.564 -11.204 1.00 52.33 H new ATOM 0 HB3 SER B 79 1.071 -1.204 -10.349 1.00 52.33 H new ATOM 0 HG SER B 79 3.111 -0.236 -10.216 1.00 41.05 H new ATOM 1394 N VAL B 80 1.584 -0.710 -7.535 1.00 33.51 N ATOM 1395 CA VAL B 80 1.795 0.337 -6.503 1.00 53.21 C ATOM 1396 C VAL B 80 2.314 -0.276 -5.185 1.00 32.23 C ATOM 1397 O VAL B 80 3.236 0.265 -4.577 1.00 4.45 O ATOM 1398 CB VAL B 80 0.478 1.164 -6.208 1.00 61.12 C ATOM 1399 CG1 VAL B 80 0.708 2.258 -5.141 1.00 64.52 C ATOM 1400 CG2 VAL B 80 -0.105 1.787 -7.492 1.00 52.22 C ATOM 0 H VAL B 80 0.630 -0.743 -7.893 1.00 33.51 H new ATOM 0 HA VAL B 80 2.544 1.017 -6.909 1.00 53.21 H new ATOM 0 HB VAL B 80 -0.248 0.454 -5.812 1.00 61.12 H new ATOM 0 HG11 VAL B 80 -0.222 2.801 -4.970 1.00 64.52 H new ATOM 0 HG12 VAL B 80 1.035 1.795 -4.210 1.00 64.52 H new ATOM 0 HG13 VAL B 80 1.474 2.951 -5.490 1.00 64.52 H new ATOM 0 HG21 VAL B 80 -1.008 2.346 -7.247 1.00 52.22 H new ATOM 0 HG22 VAL B 80 0.629 2.459 -7.936 1.00 52.22 H new ATOM 0 HG23 VAL B 80 -0.349 0.996 -8.202 1.00 52.22 H new ATOM 1410 N ILE B 81 1.723 -1.424 -4.780 1.00 52.01 N ATOM 1411 CA ILE B 81 2.125 -2.162 -3.568 1.00 32.40 C ATOM 1412 C ILE B 81 3.638 -2.489 -3.584 1.00 14.50 C ATOM 1413 O ILE B 81 4.358 -2.152 -2.642 1.00 52.41 O ATOM 1414 CB ILE B 81 1.298 -3.495 -3.396 1.00 74.12 C ATOM 1415 CG1 ILE B 81 -0.238 -3.224 -3.358 1.00 63.51 C ATOM 1416 CG2 ILE B 81 1.740 -4.281 -2.150 1.00 5.21 C ATOM 1417 CD1 ILE B 81 -0.702 -2.227 -2.308 1.00 2.23 C ATOM 0 H ILE B 81 0.954 -1.862 -5.287 1.00 52.01 H new ATOM 0 HA ILE B 81 1.913 -1.511 -2.720 1.00 32.40 H new ATOM 0 HB ILE B 81 1.507 -4.108 -4.273 1.00 74.12 H new ATOM 0 HG12 ILE B 81 -0.550 -2.864 -4.338 1.00 63.51 H new ATOM 0 HG13 ILE B 81 -0.752 -4.170 -3.188 1.00 63.51 H new ATOM 0 HG21 ILE B 81 1.148 -5.192 -2.066 1.00 5.21 H new ATOM 0 HG22 ILE B 81 2.795 -4.541 -2.239 1.00 5.21 H new ATOM 0 HG23 ILE B 81 1.591 -3.668 -1.261 1.00 5.21 H new ATOM 0 HD11 ILE B 81 -1.784 -2.113 -2.368 1.00 2.23 H new ATOM 0 HD12 ILE B 81 -0.430 -2.589 -1.317 1.00 2.23 H new ATOM 0 HD13 ILE B 81 -0.225 -1.263 -2.485 1.00 2.23 H new ATOM 1429 N GLU B 82 4.105 -3.103 -4.694 1.00 23.35 N ATOM 1430 CA GLU B 82 5.510 -3.513 -4.843 1.00 5.40 C ATOM 1431 C GLU B 82 6.447 -2.292 -4.907 1.00 20.43 C ATOM 1432 O GLU B 82 7.515 -2.292 -4.278 1.00 21.05 O ATOM 1433 CB GLU B 82 5.706 -4.398 -6.102 1.00 14.10 C ATOM 1434 CG GLU B 82 7.158 -4.875 -6.308 1.00 43.43 C ATOM 1435 CD GLU B 82 7.342 -5.790 -7.518 1.00 64.32 C ATOM 1436 OE1 GLU B 82 7.445 -5.277 -8.641 1.00 34.54 O ATOM 1437 OE2 GLU B 82 7.400 -7.023 -7.354 1.00 11.01 O ATOM 0 H GLU B 82 3.522 -3.324 -5.501 1.00 23.35 H new ATOM 0 HA GLU B 82 5.768 -4.100 -3.962 1.00 5.40 H new ATOM 0 HB2 GLU B 82 5.055 -5.269 -6.027 1.00 14.10 H new ATOM 0 HB3 GLU B 82 5.389 -3.837 -6.982 1.00 14.10 H new ATOM 0 HG2 GLU B 82 7.804 -4.004 -6.421 1.00 43.43 H new ATOM 0 HG3 GLU B 82 7.488 -5.402 -5.413 1.00 43.43 H new ATOM 1444 N GLU B 83 6.004 -1.244 -5.637 1.00 20.54 N ATOM 1445 CA GLU B 83 6.763 0.010 -5.803 1.00 55.31 C ATOM 1446 C GLU B 83 7.033 0.648 -4.438 1.00 50.35 C ATOM 1447 O GLU B 83 8.189 0.939 -4.106 1.00 71.03 O ATOM 1448 CB GLU B 83 6.008 0.982 -6.749 1.00 32.43 C ATOM 1449 CG GLU B 83 5.938 0.514 -8.218 1.00 4.24 C ATOM 1450 CD GLU B 83 5.158 1.490 -9.108 1.00 41.52 C ATOM 1451 OE1 GLU B 83 3.912 1.407 -9.145 1.00 4.31 O ATOM 1452 OE2 GLU B 83 5.776 2.370 -9.744 1.00 45.34 O ATOM 0 H GLU B 83 5.109 -1.247 -6.127 1.00 20.54 H new ATOM 0 HA GLU B 83 7.725 -0.215 -6.264 1.00 55.31 H new ATOM 0 HB2 GLU B 83 4.993 1.119 -6.375 1.00 32.43 H new ATOM 0 HB3 GLU B 83 6.495 1.956 -6.713 1.00 32.43 H new ATOM 0 HG2 GLU B 83 6.949 0.400 -8.608 1.00 4.24 H new ATOM 0 HG3 GLU B 83 5.467 -0.468 -8.261 1.00 4.24 H new ATOM 1459 N MET B 84 5.965 0.782 -3.632 1.00 40.13 N ATOM 1460 CA MET B 84 6.060 1.262 -2.247 1.00 72.24 C ATOM 1461 C MET B 84 7.003 0.373 -1.412 1.00 33.50 C ATOM 1462 O MET B 84 7.854 0.887 -0.690 1.00 60.11 O ATOM 1463 CB MET B 84 4.649 1.359 -1.598 1.00 21.10 C ATOM 1464 CG MET B 84 3.719 2.401 -2.251 1.00 55.02 C ATOM 1465 SD MET B 84 2.141 2.605 -1.387 1.00 74.55 S ATOM 1466 CE MET B 84 1.409 0.967 -1.457 1.00 4.53 C ATOM 0 H MET B 84 5.013 0.560 -3.925 1.00 40.13 H new ATOM 0 HA MET B 84 6.489 2.264 -2.266 1.00 72.24 H new ATOM 0 HB2 MET B 84 4.171 0.381 -1.649 1.00 21.10 H new ATOM 0 HB3 MET B 84 4.764 1.603 -0.542 1.00 21.10 H new ATOM 0 HG2 MET B 84 4.232 3.362 -2.286 1.00 55.02 H new ATOM 0 HG3 MET B 84 3.524 2.106 -3.282 1.00 55.02 H new ATOM 0 HE1 MET B 84 0.369 1.019 -1.136 1.00 4.53 H new ATOM 0 HE2 MET B 84 1.455 0.591 -2.479 1.00 4.53 H new ATOM 0 HE3 MET B 84 1.958 0.295 -0.798 1.00 4.53 H new ATOM 1476 N GLY B 85 6.890 -0.954 -1.598 1.00 71.11 N ATOM 1477 CA GLY B 85 7.709 -1.937 -0.871 1.00 21.04 C ATOM 1478 C GLY B 85 9.203 -1.845 -1.145 1.00 12.41 C ATOM 1479 O GLY B 85 10.016 -2.371 -0.380 1.00 14.30 O ATOM 0 H GLY B 85 6.231 -1.373 -2.254 1.00 71.11 H new ATOM 0 HA2 GLY B 85 7.541 -1.810 0.198 1.00 21.04 H new ATOM 0 HA3 GLY B 85 7.366 -2.939 -1.131 1.00 21.04 H new ATOM 1483 N LYS B 86 9.555 -1.182 -2.256 1.00 40.53 N ATOM 1484 CA LYS B 86 10.951 -0.905 -2.624 1.00 22.31 C ATOM 1485 C LYS B 86 11.363 0.486 -2.113 1.00 55.34 C ATOM 1486 O LYS B 86 12.485 0.687 -1.643 1.00 2.11 O ATOM 1487 CB LYS B 86 11.114 -0.971 -4.163 1.00 61.12 C ATOM 1488 CG LYS B 86 10.715 -2.329 -4.784 1.00 14.14 C ATOM 1489 CD LYS B 86 10.841 -2.348 -6.333 1.00 4.13 C ATOM 1490 CE LYS B 86 9.991 -1.263 -7.017 1.00 72.01 C ATOM 1491 NZ LYS B 86 10.137 -1.281 -8.508 1.00 41.11 N ATOM 0 H LYS B 86 8.877 -0.821 -2.927 1.00 40.53 H new ATOM 0 HA LYS B 86 11.594 -1.656 -2.166 1.00 22.31 H new ATOM 0 HB2 LYS B 86 10.509 -0.185 -4.615 1.00 61.12 H new ATOM 0 HB3 LYS B 86 12.153 -0.759 -4.417 1.00 61.12 H new ATOM 0 HG2 LYS B 86 11.345 -3.113 -4.364 1.00 14.14 H new ATOM 0 HG3 LYS B 86 9.687 -2.562 -4.506 1.00 14.14 H new ATOM 0 HD2 LYS B 86 11.887 -2.211 -6.609 1.00 4.13 H new ATOM 0 HD3 LYS B 86 10.539 -3.327 -6.705 1.00 4.13 H new ATOM 0 HE2 LYS B 86 8.943 -1.407 -6.755 1.00 72.01 H new ATOM 0 HE3 LYS B 86 10.282 -0.284 -6.638 1.00 72.01 H new ATOM 0 HZ1 LYS B 86 9.546 -0.533 -8.924 1.00 41.11 H new ATOM 0 HZ2 LYS B 86 11.132 -1.117 -8.761 1.00 41.11 H new ATOM 0 HZ3 LYS B 86 9.834 -2.206 -8.875 1.00 41.11 H new ATOM 1505 N GLU B 87 10.409 1.436 -2.175 1.00 44.11 N ATOM 1506 CA GLU B 87 10.643 2.863 -1.858 1.00 63.22 C ATOM 1507 C GLU B 87 10.593 3.149 -0.342 1.00 35.31 C ATOM 1508 O GLU B 87 10.748 4.299 0.075 1.00 53.53 O ATOM 1509 CB GLU B 87 9.619 3.736 -2.635 1.00 35.44 C ATOM 1510 CG GLU B 87 9.789 3.667 -4.168 1.00 43.32 C ATOM 1511 CD GLU B 87 8.687 4.399 -4.944 1.00 73.01 C ATOM 1512 OE1 GLU B 87 8.720 5.635 -4.995 1.00 2.30 O ATOM 1513 OE2 GLU B 87 7.781 3.738 -5.501 1.00 24.22 O ATOM 0 H GLU B 87 9.447 1.235 -2.448 1.00 44.11 H new ATOM 0 HA GLU B 87 11.653 3.121 -2.177 1.00 63.22 H new ATOM 0 HB2 GLU B 87 8.610 3.417 -2.375 1.00 35.44 H new ATOM 0 HB3 GLU B 87 9.719 4.772 -2.313 1.00 35.44 H new ATOM 0 HG2 GLU B 87 10.755 4.094 -4.437 1.00 43.32 H new ATOM 0 HG3 GLU B 87 9.805 2.622 -4.476 1.00 43.32 H new ATOM 1520 N ILE B 88 10.391 2.096 0.471 1.00 70.32 N ATOM 1521 CA ILE B 88 10.546 2.168 1.934 1.00 53.13 C ATOM 1522 C ILE B 88 12.030 2.380 2.310 1.00 3.43 C ATOM 1523 O ILE B 88 12.328 3.096 3.266 1.00 13.13 O ATOM 1524 CB ILE B 88 9.980 0.863 2.615 1.00 53.11 C ATOM 1525 CG1 ILE B 88 8.458 0.741 2.348 1.00 1.35 C ATOM 1526 CG2 ILE B 88 10.286 0.811 4.130 1.00 31.42 C ATOM 1527 CD1 ILE B 88 7.828 -0.543 2.837 1.00 63.23 C ATOM 0 H ILE B 88 10.116 1.174 0.133 1.00 70.32 H new ATOM 0 HA ILE B 88 9.974 3.020 2.301 1.00 53.13 H new ATOM 0 HB ILE B 88 10.488 0.009 2.167 1.00 53.11 H new ATOM 0 HG12 ILE B 88 7.952 1.581 2.823 1.00 1.35 H new ATOM 0 HG13 ILE B 88 8.284 0.829 1.276 1.00 1.35 H new ATOM 0 HG21 ILE B 88 9.876 -0.106 4.553 1.00 31.42 H new ATOM 0 HG22 ILE B 88 11.365 0.831 4.284 1.00 31.42 H new ATOM 0 HG23 ILE B 88 9.833 1.672 4.622 1.00 31.42 H new ATOM 0 HD11 ILE B 88 6.763 -0.537 2.606 1.00 63.23 H new ATOM 0 HD12 ILE B 88 8.302 -1.392 2.343 1.00 63.23 H new ATOM 0 HD13 ILE B 88 7.965 -0.628 3.915 1.00 63.23 H new ATOM 1539 N ARG B 89 12.954 1.766 1.531 1.00 34.42 N ATOM 1540 CA ARG B 89 14.407 1.832 1.803 1.00 1.43 C ATOM 1541 C ARG B 89 14.975 3.289 1.728 1.00 33.21 C ATOM 1542 O ARG B 89 15.608 3.725 2.703 1.00 30.44 O ATOM 1543 CB ARG B 89 15.202 0.857 0.880 1.00 32.34 C ATOM 1544 CG ARG B 89 16.707 0.788 1.203 1.00 15.53 C ATOM 1545 CD ARG B 89 17.519 -0.073 0.217 1.00 75.43 C ATOM 1546 NE ARG B 89 18.944 -0.110 0.595 1.00 32.12 N ATOM 1547 CZ ARG B 89 19.933 -0.699 -0.102 1.00 60.03 C ATOM 1548 NH1 ARG B 89 19.699 -1.314 -1.270 1.00 44.41 N ATOM 1549 NH2 ARG B 89 21.169 -0.677 0.380 1.00 42.21 N ATOM 0 H ARG B 89 12.714 1.217 0.705 1.00 34.42 H new ATOM 0 HA ARG B 89 14.544 1.505 2.834 1.00 1.43 H new ATOM 0 HB2 ARG B 89 14.774 -0.142 0.967 1.00 32.34 H new ATOM 0 HB3 ARG B 89 15.076 1.168 -0.157 1.00 32.34 H new ATOM 0 HG2 ARG B 89 17.114 1.799 1.208 1.00 15.53 H new ATOM 0 HG3 ARG B 89 16.835 0.388 2.209 1.00 15.53 H new ATOM 0 HD2 ARG B 89 17.118 -1.086 0.198 1.00 75.43 H new ATOM 0 HD3 ARG B 89 17.417 0.329 -0.791 1.00 75.43 H new ATOM 0 HE ARG B 89 19.204 0.354 1.465 1.00 32.12 H new ATOM 0 HH11 ARG B 89 18.753 -1.343 -1.650 1.00 44.41 H new ATOM 0 HH12 ARG B 89 20.467 -1.753 -1.778 1.00 44.41 H new ATOM 0 HH21 ARG B 89 21.361 -0.217 1.270 1.00 42.21 H new ATOM 0 HH22 ARG B 89 21.927 -1.120 -0.139 1.00 42.21 H new ATOM 1563 N PRO B 90 14.786 4.073 0.607 1.00 73.43 N ATOM 1564 CA PRO B 90 15.266 5.478 0.552 1.00 31.01 C ATOM 1565 C PRO B 90 14.539 6.395 1.570 1.00 13.23 C ATOM 1566 O PRO B 90 15.180 7.253 2.184 1.00 42.44 O ATOM 1567 CB PRO B 90 15.015 5.892 -0.919 1.00 73.03 C ATOM 1568 CG PRO B 90 13.925 4.983 -1.390 1.00 12.02 C ATOM 1569 CD PRO B 90 14.148 3.672 -0.680 1.00 70.33 C ATOM 0 HA PRO B 90 16.315 5.574 0.834 1.00 31.01 H new ATOM 0 HB2 PRO B 90 14.716 6.938 -0.990 1.00 73.03 H new ATOM 0 HB3 PRO B 90 15.916 5.776 -1.522 1.00 73.03 H new ATOM 0 HG2 PRO B 90 12.944 5.394 -1.153 1.00 12.02 H new ATOM 0 HG3 PRO B 90 13.964 4.854 -2.472 1.00 12.02 H new ATOM 0 HD2 PRO B 90 13.210 3.141 -0.514 1.00 70.33 H new ATOM 0 HD3 PRO B 90 14.792 3.008 -1.257 1.00 70.33 H new ATOM 1577 N THR B 91 13.217 6.178 1.766 1.00 42.12 N ATOM 1578 CA THR B 91 12.414 6.871 2.810 1.00 12.24 C ATOM 1579 C THR B 91 13.062 6.706 4.201 1.00 22.54 C ATOM 1580 O THR B 91 13.300 7.681 4.926 1.00 23.55 O ATOM 1581 CB THR B 91 10.960 6.308 2.838 1.00 55.21 C ATOM 1582 OG1 THR B 91 10.299 6.636 1.608 1.00 43.53 O ATOM 1583 CG2 THR B 91 10.123 6.823 4.027 1.00 70.44 C ATOM 0 H THR B 91 12.675 5.519 1.207 1.00 42.12 H new ATOM 0 HA THR B 91 12.383 7.932 2.563 1.00 12.24 H new ATOM 0 HB THR B 91 11.043 5.228 2.960 1.00 55.21 H new ATOM 0 HG1 THR B 91 10.387 5.889 0.980 1.00 43.53 H new ATOM 0 HG21 THR B 91 9.123 6.391 3.983 1.00 70.44 H new ATOM 0 HG22 THR B 91 10.603 6.533 4.962 1.00 70.44 H new ATOM 0 HG23 THR B 91 10.051 7.909 3.978 1.00 70.44 H new ATOM 1591 N TYR B 92 13.376 5.442 4.526 1.00 54.30 N ATOM 1592 CA TYR B 92 14.051 5.059 5.767 1.00 24.52 C ATOM 1593 C TYR B 92 15.442 5.718 5.874 1.00 64.14 C ATOM 1594 O TYR B 92 15.892 6.061 6.964 1.00 44.22 O ATOM 1595 CB TYR B 92 14.182 3.513 5.836 1.00 22.21 C ATOM 1596 CG TYR B 92 14.745 3.004 7.163 1.00 10.33 C ATOM 1597 CD1 TYR B 92 13.961 3.033 8.304 1.00 44.22 C ATOM 1598 CD2 TYR B 92 16.071 2.580 7.290 1.00 21.45 C ATOM 1599 CE1 TYR B 92 14.447 2.609 9.509 1.00 72.34 C ATOM 1600 CE2 TYR B 92 16.565 2.169 8.510 1.00 21.44 C ATOM 1601 CZ TYR B 92 15.753 2.206 9.618 1.00 55.22 C ATOM 1602 OH TYR B 92 16.241 1.822 10.841 1.00 52.31 O ATOM 0 H TYR B 92 13.163 4.648 3.922 1.00 54.30 H new ATOM 0 HA TYR B 92 13.451 5.410 6.607 1.00 24.52 H new ATOM 0 HB2 TYR B 92 13.201 3.066 5.672 1.00 22.21 H new ATOM 0 HB3 TYR B 92 14.826 3.175 5.024 1.00 22.21 H new ATOM 0 HD1 TYR B 92 12.946 3.398 8.241 1.00 44.22 H new ATOM 0 HD2 TYR B 92 16.715 2.574 6.423 1.00 21.45 H new ATOM 0 HE1 TYR B 92 13.802 2.591 10.375 1.00 72.34 H new ATOM 0 HE2 TYR B 92 17.584 1.820 8.594 1.00 21.44 H new ATOM 0 HH TYR B 92 15.961 2.468 11.523 1.00 52.31 H new ATOM 1612 N ALA B 93 16.090 5.895 4.710 1.00 41.20 N ATOM 1613 CA ALA B 93 17.452 6.458 4.607 1.00 0.53 C ATOM 1614 C ALA B 93 17.481 8.003 4.703 1.00 44.45 C ATOM 1615 O ALA B 93 18.544 8.617 4.534 1.00 45.31 O ATOM 1616 CB ALA B 93 18.085 5.981 3.295 1.00 41.03 C ATOM 0 H ALA B 93 15.683 5.651 3.807 1.00 41.20 H new ATOM 0 HA ALA B 93 18.029 6.098 5.459 1.00 0.53 H new ATOM 0 HB1 ALA B 93 19.091 6.390 3.207 1.00 41.03 H new ATOM 0 HB2 ALA B 93 18.134 4.892 3.289 1.00 41.03 H new ATOM 0 HB3 ALA B 93 17.480 6.321 2.454 1.00 41.03 H new ATOM 1622 N GLY B 94 16.321 8.625 4.986 1.00 73.31 N ATOM 1623 CA GLY B 94 16.231 10.082 5.184 1.00 12.30 C ATOM 1624 C GLY B 94 15.897 10.864 3.922 1.00 25.43 C ATOM 1625 O GLY B 94 15.868 12.099 3.960 1.00 70.24 O ATOM 0 H GLY B 94 15.430 8.138 5.083 1.00 73.31 H new ATOM 0 HA2 GLY B 94 15.471 10.289 5.938 1.00 12.30 H new ATOM 0 HA3 GLY B 94 17.180 10.443 5.581 1.00 12.30 H new ATOM 1629 N SER B 95 15.652 10.157 2.809 1.00 54.13 N ATOM 1630 CA SER B 95 15.224 10.788 1.549 1.00 61.34 C ATOM 1631 C SER B 95 13.762 11.298 1.636 1.00 52.13 C ATOM 1632 O SER B 95 12.814 10.511 1.570 1.00 21.24 O ATOM 1633 CB SER B 95 15.380 9.793 0.386 1.00 5.55 C ATOM 1634 OG SER B 95 16.682 9.246 0.345 1.00 33.10 O ATOM 0 H SER B 95 15.743 9.143 2.755 1.00 54.13 H new ATOM 0 HA SER B 95 15.862 11.653 1.369 1.00 61.34 H new ATOM 0 HB2 SER B 95 14.650 8.990 0.492 1.00 5.55 H new ATOM 0 HB3 SER B 95 15.166 10.297 -0.557 1.00 5.55 H new ATOM 0 HG SER B 95 16.709 8.425 0.879 1.00 33.10 H new ATOM 1640 N LYS B 96 13.609 12.628 1.834 1.00 61.23 N ATOM 1641 CA LYS B 96 12.295 13.316 1.879 1.00 32.30 C ATOM 1642 C LYS B 96 11.527 13.224 0.544 1.00 65.44 C ATOM 1643 O LYS B 96 10.298 13.156 0.545 1.00 31.31 O ATOM 1644 CB LYS B 96 12.502 14.802 2.284 1.00 70.11 C ATOM 1645 CG LYS B 96 13.452 15.593 1.356 1.00 51.14 C ATOM 1646 CD LYS B 96 13.665 17.062 1.791 1.00 64.21 C ATOM 1647 CE LYS B 96 12.374 17.887 1.774 1.00 41.02 C ATOM 1648 NZ LYS B 96 12.634 19.335 2.046 1.00 11.22 N ATOM 0 H LYS B 96 14.399 13.259 1.968 1.00 61.23 H new ATOM 0 HA LYS B 96 11.683 12.808 2.624 1.00 32.30 H new ATOM 0 HB2 LYS B 96 11.532 15.300 2.300 1.00 70.11 H new ATOM 0 HB3 LYS B 96 12.895 14.837 3.300 1.00 70.11 H new ATOM 0 HG2 LYS B 96 14.418 15.089 1.325 1.00 51.14 H new ATOM 0 HG3 LYS B 96 13.051 15.578 0.342 1.00 51.14 H new ATOM 0 HD2 LYS B 96 14.087 17.080 2.796 1.00 64.21 H new ATOM 0 HD3 LYS B 96 14.396 17.528 1.130 1.00 64.21 H new ATOM 0 HE2 LYS B 96 11.888 17.781 0.804 1.00 41.02 H new ATOM 0 HE3 LYS B 96 11.683 17.496 2.521 1.00 41.02 H new ATOM 0 HZ1 LYS B 96 11.736 19.859 2.026 1.00 11.22 H new ATOM 0 HZ2 LYS B 96 13.074 19.439 2.982 1.00 11.22 H new ATOM 0 HZ3 LYS B 96 13.273 19.716 1.319 1.00 11.22 H new ATOM 1662 N SER B 97 12.271 13.220 -0.583 1.00 22.32 N ATOM 1663 CA SER B 97 11.678 13.128 -1.932 1.00 44.41 C ATOM 1664 C SER B 97 11.061 11.738 -2.171 1.00 75.23 C ATOM 1665 O SER B 97 10.024 11.621 -2.819 1.00 60.33 O ATOM 1666 CB SER B 97 12.731 13.452 -3.018 1.00 13.34 C ATOM 1667 OG SER B 97 13.322 14.725 -2.802 1.00 63.13 O ATOM 0 H SER B 97 13.289 13.280 -0.583 1.00 22.32 H new ATOM 0 HA SER B 97 10.880 13.867 -1.998 1.00 44.41 H new ATOM 0 HB2 SER B 97 13.505 12.685 -3.017 1.00 13.34 H new ATOM 0 HB3 SER B 97 12.261 13.429 -4.001 1.00 13.34 H new ATOM 0 HG SER B 97 13.984 14.901 -3.503 1.00 63.13 H new ATOM 1673 N ALA B 98 11.729 10.688 -1.657 1.00 75.42 N ATOM 1674 CA ALA B 98 11.221 9.305 -1.688 1.00 42.03 C ATOM 1675 C ALA B 98 10.071 9.099 -0.685 1.00 32.11 C ATOM 1676 O ALA B 98 9.157 8.322 -0.948 1.00 74.12 O ATOM 1677 CB ALA B 98 12.361 8.335 -1.397 1.00 2.12 C ATOM 0 H ALA B 98 12.640 10.776 -1.207 1.00 75.42 H new ATOM 0 HA ALA B 98 10.823 9.111 -2.684 1.00 42.03 H new ATOM 0 HB1 ALA B 98 11.984 7.313 -1.420 1.00 2.12 H new ATOM 0 HB2 ALA B 98 13.139 8.452 -2.151 1.00 2.12 H new ATOM 0 HB3 ALA B 98 12.776 8.546 -0.411 1.00 2.12 H new ATOM 1683 N MET B 99 10.146 9.802 0.467 1.00 15.22 N ATOM 1684 CA MET B 99 9.152 9.700 1.563 1.00 44.43 C ATOM 1685 C MET B 99 7.798 10.278 1.146 1.00 3.03 C ATOM 1686 O MET B 99 6.754 9.643 1.343 1.00 35.54 O ATOM 1687 CB MET B 99 9.692 10.398 2.841 1.00 35.34 C ATOM 1688 CG MET B 99 8.715 10.485 4.043 1.00 23.23 C ATOM 1689 SD MET B 99 7.435 11.749 3.864 1.00 50.10 S ATOM 1690 CE MET B 99 8.423 13.216 3.603 1.00 54.51 C ATOM 0 H MET B 99 10.900 10.459 0.665 1.00 15.22 H new ATOM 0 HA MET B 99 8.995 8.644 1.785 1.00 44.43 H new ATOM 0 HB2 MET B 99 10.588 9.870 3.166 1.00 35.34 H new ATOM 0 HB3 MET B 99 9.998 11.410 2.575 1.00 35.34 H new ATOM 0 HG2 MET B 99 8.236 9.515 4.179 1.00 23.23 H new ATOM 0 HG3 MET B 99 9.287 10.688 4.948 1.00 23.23 H new ATOM 0 HE1 MET B 99 7.845 14.098 3.878 1.00 54.51 H new ATOM 0 HE2 MET B 99 9.321 13.164 4.219 1.00 54.51 H new ATOM 0 HE3 MET B 99 8.707 13.282 2.553 1.00 54.51 H new ATOM 1700 N GLU B 100 7.821 11.493 0.569 1.00 23.12 N ATOM 1701 CA GLU B 100 6.606 12.168 0.072 1.00 44.14 C ATOM 1702 C GLU B 100 5.994 11.379 -1.109 1.00 3.42 C ATOM 1703 O GLU B 100 4.776 11.371 -1.290 1.00 73.11 O ATOM 1704 CB GLU B 100 6.919 13.631 -0.355 1.00 13.44 C ATOM 1705 CG GLU B 100 7.910 13.755 -1.519 1.00 24.13 C ATOM 1706 CD GLU B 100 7.980 15.159 -2.137 1.00 43.32 C ATOM 1707 OE1 GLU B 100 8.700 16.018 -1.612 1.00 60.13 O ATOM 1708 OE2 GLU B 100 7.303 15.389 -3.163 1.00 53.24 O ATOM 0 H GLU B 100 8.676 12.033 0.434 1.00 23.12 H new ATOM 0 HA GLU B 100 5.879 12.199 0.883 1.00 44.14 H new ATOM 0 HB2 GLU B 100 5.987 14.122 -0.634 1.00 13.44 H new ATOM 0 HB3 GLU B 100 7.318 14.170 0.504 1.00 13.44 H new ATOM 0 HG2 GLU B 100 8.903 13.475 -1.168 1.00 24.13 H new ATOM 0 HG3 GLU B 100 7.633 13.042 -2.295 1.00 24.13 H new ATOM 1715 N ARG B 101 6.874 10.711 -1.880 1.00 40.42 N ATOM 1716 CA ARG B 101 6.515 9.833 -3.004 1.00 15.54 C ATOM 1717 C ARG B 101 5.935 8.502 -2.476 1.00 33.32 C ATOM 1718 O ARG B 101 5.042 7.910 -3.092 1.00 2.32 O ATOM 1719 CB ARG B 101 7.801 9.627 -3.855 1.00 31.01 C ATOM 1720 CG ARG B 101 7.745 8.668 -5.066 1.00 71.10 C ATOM 1721 CD ARG B 101 6.657 8.996 -6.101 1.00 43.21 C ATOM 1722 NE ARG B 101 5.418 8.288 -5.808 1.00 73.32 N ATOM 1723 CZ ARG B 101 4.238 8.488 -6.411 1.00 43.33 C ATOM 1724 NH1 ARG B 101 4.101 9.381 -7.395 1.00 51.30 N ATOM 1725 NH2 ARG B 101 3.208 7.758 -6.036 1.00 54.03 N ATOM 0 H ARG B 101 7.881 10.771 -1.732 1.00 40.42 H new ATOM 0 HA ARG B 101 5.739 10.276 -3.628 1.00 15.54 H new ATOM 0 HB2 ARG B 101 8.114 10.604 -4.222 1.00 31.01 H new ATOM 0 HB3 ARG B 101 8.585 9.271 -3.187 1.00 31.01 H new ATOM 0 HG2 ARG B 101 8.715 8.678 -5.564 1.00 71.10 H new ATOM 0 HG3 ARG B 101 7.585 7.654 -4.701 1.00 71.10 H new ATOM 0 HD2 ARG B 101 6.472 10.070 -6.109 1.00 43.21 H new ATOM 0 HD3 ARG B 101 7.006 8.725 -7.097 1.00 43.21 H new ATOM 0 HE ARG B 101 5.452 7.576 -5.078 1.00 73.32 H new ATOM 0 HH11 ARG B 101 4.905 9.928 -7.703 1.00 51.30 H new ATOM 0 HH12 ARG B 101 3.193 9.515 -7.839 1.00 51.30 H new ATOM 0 HH21 ARG B 101 3.319 7.059 -5.302 1.00 54.03 H new ATOM 0 HH22 ARG B 101 2.299 7.892 -6.480 1.00 54.03 H new ATOM 1739 N LEU B 102 6.421 8.066 -1.296 1.00 40.44 N ATOM 1740 CA LEU B 102 5.928 6.848 -0.629 1.00 31.54 C ATOM 1741 C LEU B 102 4.479 7.080 -0.156 1.00 11.14 C ATOM 1742 O LEU B 102 3.608 6.246 -0.382 1.00 15.13 O ATOM 1743 CB LEU B 102 6.871 6.430 0.552 1.00 2.11 C ATOM 1744 CG LEU B 102 6.620 5.017 1.170 1.00 21.12 C ATOM 1745 CD1 LEU B 102 6.753 3.917 0.118 1.00 74.44 C ATOM 1746 CD2 LEU B 102 7.560 4.734 2.355 1.00 65.25 C ATOM 0 H LEU B 102 7.161 8.546 -0.783 1.00 40.44 H new ATOM 0 HA LEU B 102 5.933 6.019 -1.337 1.00 31.54 H new ATOM 0 HB2 LEU B 102 7.901 6.471 0.198 1.00 2.11 H new ATOM 0 HB3 LEU B 102 6.776 7.172 1.345 1.00 2.11 H new ATOM 0 HG LEU B 102 5.596 5.016 1.544 1.00 21.12 H new ATOM 0 HD11 LEU B 102 6.572 2.947 0.581 1.00 74.44 H new ATOM 0 HD12 LEU B 102 6.024 4.082 -0.675 1.00 74.44 H new ATOM 0 HD13 LEU B 102 7.758 3.936 -0.304 1.00 74.44 H new ATOM 0 HD21 LEU B 102 7.352 3.742 2.755 1.00 65.25 H new ATOM 0 HD22 LEU B 102 8.595 4.780 2.017 1.00 65.25 H new ATOM 0 HD23 LEU B 102 7.399 5.480 3.133 1.00 65.25 H new ATOM 1758 N LYS B 103 4.228 8.275 0.430 1.00 63.13 N ATOM 1759 CA LYS B 103 2.883 8.686 0.899 1.00 72.05 C ATOM 1760 C LYS B 103 1.935 8.972 -0.285 1.00 55.30 C ATOM 1761 O LYS B 103 0.732 8.711 -0.209 1.00 22.40 O ATOM 1762 CB LYS B 103 2.995 9.949 1.786 1.00 2.15 C ATOM 1763 CG LYS B 103 3.907 9.806 3.022 1.00 74.14 C ATOM 1764 CD LYS B 103 3.891 11.069 3.917 1.00 44.44 C ATOM 1765 CE LYS B 103 4.296 12.343 3.163 1.00 74.53 C ATOM 1766 NZ LYS B 103 4.269 13.543 4.047 1.00 21.32 N ATOM 0 H LYS B 103 4.949 8.979 0.590 1.00 63.13 H new ATOM 0 HA LYS B 103 2.467 7.862 1.479 1.00 72.05 H new ATOM 0 HB2 LYS B 103 3.366 10.771 1.174 1.00 2.15 H new ATOM 0 HB3 LYS B 103 1.996 10.227 2.122 1.00 2.15 H new ATOM 0 HG2 LYS B 103 3.587 8.945 3.608 1.00 74.14 H new ATOM 0 HG3 LYS B 103 4.928 9.608 2.696 1.00 74.14 H new ATOM 0 HD2 LYS B 103 2.892 11.201 4.332 1.00 44.44 H new ATOM 0 HD3 LYS B 103 4.568 10.920 4.758 1.00 44.44 H new ATOM 0 HE2 LYS B 103 5.297 12.218 2.750 1.00 74.53 H new ATOM 0 HE3 LYS B 103 3.621 12.497 2.321 1.00 74.53 H new ATOM 0 HZ1 LYS B 103 4.549 14.383 3.501 1.00 21.32 H new ATOM 0 HZ2 LYS B 103 3.308 13.677 4.421 1.00 21.32 H new ATOM 0 HZ3 LYS B 103 4.932 13.407 4.837 1.00 21.32 H new ATOM 1780 N ARG B 104 2.507 9.506 -1.383 1.00 62.21 N ATOM 1781 CA ARG B 104 1.764 9.790 -2.630 1.00 33.43 C ATOM 1782 C ARG B 104 1.278 8.468 -3.262 1.00 11.45 C ATOM 1783 O ARG B 104 0.248 8.422 -3.954 1.00 34.25 O ATOM 1784 CB ARG B 104 2.670 10.607 -3.601 1.00 42.12 C ATOM 1785 CG ARG B 104 1.965 11.167 -4.854 1.00 50.42 C ATOM 1786 CD ARG B 104 2.884 12.059 -5.720 1.00 50.53 C ATOM 1787 NE ARG B 104 2.179 12.583 -6.907 1.00 51.23 N ATOM 1788 CZ ARG B 104 2.758 13.197 -7.961 1.00 41.45 C ATOM 1789 NH1 ARG B 104 4.078 13.392 -8.011 1.00 22.50 N ATOM 1790 NH2 ARG B 104 1.992 13.642 -8.953 1.00 24.45 N ATOM 0 H ARG B 104 3.496 9.753 -1.432 1.00 62.21 H new ATOM 0 HA ARG B 104 0.882 10.392 -2.413 1.00 33.43 H new ATOM 0 HB2 ARG B 104 3.107 11.439 -3.049 1.00 42.12 H new ATOM 0 HB3 ARG B 104 3.494 9.971 -3.923 1.00 42.12 H new ATOM 0 HG2 ARG B 104 1.599 10.337 -5.459 1.00 50.42 H new ATOM 0 HG3 ARG B 104 1.094 11.745 -4.545 1.00 50.42 H new ATOM 0 HD2 ARG B 104 3.254 12.891 -5.120 1.00 50.53 H new ATOM 0 HD3 ARG B 104 3.754 11.484 -6.038 1.00 50.53 H new ATOM 0 HE ARG B 104 1.165 12.471 -6.933 1.00 51.23 H new ATOM 0 HH11 ARG B 104 4.670 13.075 -7.243 1.00 22.50 H new ATOM 0 HH12 ARG B 104 4.494 13.858 -8.817 1.00 22.50 H new ATOM 0 HH21 ARG B 104 0.980 13.518 -8.911 1.00 24.45 H new ATOM 0 HH22 ARG B 104 2.416 14.108 -9.755 1.00 24.45 H new ATOM 1804 N GLY B 105 2.033 7.385 -2.975 1.00 34.35 N ATOM 1805 CA GLY B 105 1.645 6.031 -3.346 1.00 2.50 C ATOM 1806 C GLY B 105 0.381 5.568 -2.642 1.00 15.31 C ATOM 1807 O GLY B 105 -0.424 4.862 -3.234 1.00 24.51 O ATOM 0 H GLY B 105 2.924 7.438 -2.481 1.00 34.35 H new ATOM 0 HA2 GLY B 105 1.493 5.984 -4.424 1.00 2.50 H new ATOM 0 HA3 GLY B 105 2.459 5.346 -3.109 1.00 2.50 H new ATOM 1811 N ILE B 106 0.213 5.987 -1.375 1.00 41.50 N ATOM 1812 CA ILE B 106 -0.989 5.680 -0.568 1.00 0.33 C ATOM 1813 C ILE B 106 -2.225 6.435 -1.105 1.00 45.42 C ATOM 1814 O ILE B 106 -3.327 5.887 -1.122 1.00 53.41 O ATOM 1815 CB ILE B 106 -0.748 5.986 0.974 1.00 70.34 C ATOM 1816 CG1 ILE B 106 0.061 4.841 1.645 1.00 31.43 C ATOM 1817 CG2 ILE B 106 -2.056 6.247 1.766 1.00 25.33 C ATOM 1818 CD1 ILE B 106 1.451 4.599 1.107 1.00 44.35 C ATOM 0 H ILE B 106 0.905 6.548 -0.879 1.00 41.50 H new ATOM 0 HA ILE B 106 -1.186 4.612 -0.660 1.00 0.33 H new ATOM 0 HB ILE B 106 -0.172 6.911 1.007 1.00 70.34 H new ATOM 0 HG12 ILE B 106 0.139 5.057 2.711 1.00 31.43 H new ATOM 0 HG13 ILE B 106 -0.509 3.917 1.548 1.00 31.43 H new ATOM 0 HG21 ILE B 106 -1.815 6.448 2.810 1.00 25.33 H new ATOM 0 HG22 ILE B 106 -2.574 7.107 1.340 1.00 25.33 H new ATOM 0 HG23 ILE B 106 -2.700 5.369 1.705 1.00 25.33 H new ATOM 0 HD11 ILE B 106 1.915 3.778 1.653 1.00 44.35 H new ATOM 0 HD12 ILE B 106 1.392 4.344 0.049 1.00 44.35 H new ATOM 0 HD13 ILE B 106 2.051 5.501 1.230 1.00 44.35 H new ATOM 1830 N ILE B 107 -2.017 7.686 -1.557 1.00 54.33 N ATOM 1831 CA ILE B 107 -3.077 8.499 -2.187 1.00 3.53 C ATOM 1832 C ILE B 107 -3.635 7.769 -3.441 1.00 5.04 C ATOM 1833 O ILE B 107 -4.851 7.710 -3.657 1.00 73.44 O ATOM 1834 CB ILE B 107 -2.535 9.928 -2.572 1.00 53.24 C ATOM 1835 CG1 ILE B 107 -1.998 10.668 -1.303 1.00 71.13 C ATOM 1836 CG2 ILE B 107 -3.616 10.768 -3.293 1.00 12.15 C ATOM 1837 CD1 ILE B 107 -1.334 12.014 -1.568 1.00 63.32 C ATOM 0 H ILE B 107 -1.116 8.160 -1.497 1.00 54.33 H new ATOM 0 HA ILE B 107 -3.886 8.629 -1.468 1.00 3.53 H new ATOM 0 HB ILE B 107 -1.708 9.799 -3.270 1.00 53.24 H new ATOM 0 HG12 ILE B 107 -2.828 10.820 -0.613 1.00 71.13 H new ATOM 0 HG13 ILE B 107 -1.280 10.020 -0.801 1.00 71.13 H new ATOM 0 HG21 ILE B 107 -3.208 11.747 -3.544 1.00 12.15 H new ATOM 0 HG22 ILE B 107 -3.924 10.258 -4.206 1.00 12.15 H new ATOM 0 HG23 ILE B 107 -4.478 10.891 -2.638 1.00 12.15 H new ATOM 0 HD11 ILE B 107 -0.997 12.445 -0.625 1.00 63.32 H new ATOM 0 HD12 ILE B 107 -0.479 11.874 -2.230 1.00 63.32 H new ATOM 0 HD13 ILE B 107 -2.051 12.687 -2.039 1.00 63.32 H new ATOM 1849 N HIS B 108 -2.715 7.172 -4.217 1.00 73.40 N ATOM 1850 CA HIS B 108 -3.044 6.392 -5.425 1.00 63.31 C ATOM 1851 C HIS B 108 -3.718 5.052 -5.045 1.00 20.24 C ATOM 1852 O HIS B 108 -4.805 4.730 -5.537 1.00 12.01 O ATOM 1853 CB HIS B 108 -1.744 6.147 -6.248 1.00 63.33 C ATOM 1854 CG HIS B 108 -1.923 5.501 -7.606 1.00 55.41 C ATOM 1855 ND1 HIS B 108 -0.867 5.049 -8.364 1.00 42.33 N ATOM 1856 CD2 HIS B 108 -3.030 5.246 -8.339 1.00 74.01 C ATOM 1857 CE1 HIS B 108 -1.317 4.544 -9.488 1.00 13.50 C ATOM 1858 NE2 HIS B 108 -2.629 4.646 -9.501 1.00 61.23 N ATOM 0 H HIS B 108 -1.715 7.217 -4.023 1.00 73.40 H new ATOM 0 HA HIS B 108 -3.751 6.954 -6.035 1.00 63.31 H new ATOM 0 HB2 HIS B 108 -1.242 7.104 -6.388 1.00 63.33 H new ATOM 0 HB3 HIS B 108 -1.077 5.520 -5.656 1.00 63.33 H new ATOM 0 HD2 HIS B 108 -4.047 5.475 -8.058 1.00 74.01 H new ATOM 0 HE1 HIS B 108 -0.711 4.116 -10.273 1.00 13.50 H new ATOM 0 HE2 HIS B 108 -3.244 4.331 -10.251 1.00 61.23 H new ATOM 1867 N ALA B 109 -3.076 4.325 -4.125 1.00 51.04 N ATOM 1868 CA ALA B 109 -3.434 2.940 -3.783 1.00 42.51 C ATOM 1869 C ALA B 109 -4.805 2.841 -3.092 1.00 32.10 C ATOM 1870 O ALA B 109 -5.610 1.968 -3.418 1.00 32.12 O ATOM 1871 CB ALA B 109 -2.335 2.336 -2.896 1.00 43.31 C ATOM 0 H ALA B 109 -2.285 4.683 -3.590 1.00 51.04 H new ATOM 0 HA ALA B 109 -3.513 2.374 -4.711 1.00 42.51 H new ATOM 0 HB1 ALA B 109 -2.597 1.309 -2.640 1.00 43.31 H new ATOM 0 HB2 ALA B 109 -1.387 2.345 -3.434 1.00 43.31 H new ATOM 0 HB3 ALA B 109 -2.240 2.924 -1.983 1.00 43.31 H new ATOM 1877 N ARG B 110 -5.061 3.772 -2.153 1.00 1.21 N ATOM 1878 CA ARG B 110 -6.278 3.770 -1.321 1.00 64.25 C ATOM 1879 C ARG B 110 -7.512 4.145 -2.156 1.00 51.14 C ATOM 1880 O ARG B 110 -8.621 3.693 -1.868 1.00 43.33 O ATOM 1881 CB ARG B 110 -6.107 4.752 -0.126 1.00 5.53 C ATOM 1882 CG ARG B 110 -7.134 4.579 1.002 1.00 31.30 C ATOM 1883 CD ARG B 110 -6.903 5.543 2.174 1.00 20.03 C ATOM 1884 NE ARG B 110 -7.845 5.299 3.275 1.00 51.44 N ATOM 1885 CZ ARG B 110 -8.241 6.222 4.164 1.00 15.12 C ATOM 1886 NH1 ARG B 110 -7.787 7.474 4.097 1.00 34.00 N ATOM 1887 NH2 ARG B 110 -9.077 5.876 5.125 1.00 23.23 N ATOM 0 H ARG B 110 -4.429 4.547 -1.950 1.00 1.21 H new ATOM 0 HA ARG B 110 -6.430 2.764 -0.931 1.00 64.25 H new ATOM 0 HB2 ARG B 110 -5.107 4.626 0.290 1.00 5.53 H new ATOM 0 HB3 ARG B 110 -6.169 5.773 -0.502 1.00 5.53 H new ATOM 0 HG2 ARG B 110 -8.136 4.736 0.602 1.00 31.30 H new ATOM 0 HG3 ARG B 110 -7.094 3.553 1.369 1.00 31.30 H new ATOM 0 HD2 ARG B 110 -5.882 5.434 2.539 1.00 20.03 H new ATOM 0 HD3 ARG B 110 -7.009 6.570 1.826 1.00 20.03 H new ATOM 0 HE ARG B 110 -8.226 4.358 3.370 1.00 51.44 H new ATOM 0 HH11 ARG B 110 -7.130 7.740 3.363 1.00 34.00 H new ATOM 0 HH12 ARG B 110 -8.096 8.166 4.780 1.00 34.00 H new ATOM 0 HH21 ARG B 110 -9.415 4.915 5.186 1.00 23.23 H new ATOM 0 HH22 ARG B 110 -9.385 6.569 5.807 1.00 23.23 H new ATOM 1901 N ALA B 111 -7.288 4.963 -3.205 1.00 41.05 N ATOM 1902 CA ALA B 111 -8.332 5.331 -4.175 1.00 21.55 C ATOM 1903 C ALA B 111 -8.783 4.088 -4.957 1.00 14.20 C ATOM 1904 O ALA B 111 -9.978 3.843 -5.120 1.00 20.34 O ATOM 1905 CB ALA B 111 -7.812 6.415 -5.134 1.00 2.15 C ATOM 0 H ALA B 111 -6.380 5.384 -3.400 1.00 41.05 H new ATOM 0 HA ALA B 111 -9.190 5.734 -3.636 1.00 21.55 H new ATOM 0 HB1 ALA B 111 -8.595 6.677 -5.846 1.00 2.15 H new ATOM 0 HB2 ALA B 111 -7.529 7.300 -4.564 1.00 2.15 H new ATOM 0 HB3 ALA B 111 -6.943 6.037 -5.673 1.00 2.15 H new ATOM 1911 N LEU B 112 -7.788 3.283 -5.369 1.00 53.44 N ATOM 1912 CA LEU B 112 -8.004 2.052 -6.153 1.00 24.53 C ATOM 1913 C LEU B 112 -8.827 1.009 -5.370 1.00 30.43 C ATOM 1914 O LEU B 112 -9.638 0.287 -5.960 1.00 13.23 O ATOM 1915 CB LEU B 112 -6.639 1.464 -6.606 1.00 65.31 C ATOM 1916 CG LEU B 112 -5.803 2.375 -7.559 1.00 42.43 C ATOM 1917 CD1 LEU B 112 -4.408 1.786 -7.826 1.00 44.43 C ATOM 1918 CD2 LEU B 112 -6.562 2.641 -8.872 1.00 45.24 C ATOM 0 H LEU B 112 -6.806 3.468 -5.167 1.00 53.44 H new ATOM 0 HA LEU B 112 -8.585 2.313 -7.037 1.00 24.53 H new ATOM 0 HB2 LEU B 112 -6.042 1.250 -5.719 1.00 65.31 H new ATOM 0 HB3 LEU B 112 -6.820 0.513 -7.106 1.00 65.31 H new ATOM 0 HG LEU B 112 -5.657 3.332 -7.058 1.00 42.43 H new ATOM 0 HD11 LEU B 112 -3.855 2.447 -8.493 1.00 44.43 H new ATOM 0 HD12 LEU B 112 -3.868 1.687 -6.884 1.00 44.43 H new ATOM 0 HD13 LEU B 112 -4.510 0.805 -8.290 1.00 44.43 H new ATOM 0 HD21 LEU B 112 -5.958 3.278 -9.519 1.00 45.24 H new ATOM 0 HD22 LEU B 112 -6.759 1.695 -9.376 1.00 45.24 H new ATOM 0 HD23 LEU B 112 -7.506 3.139 -8.652 1.00 45.24 H new ATOM 1930 N VAL B 113 -8.633 0.960 -4.039 1.00 31.03 N ATOM 1931 CA VAL B 113 -9.389 0.043 -3.166 1.00 73.10 C ATOM 1932 C VAL B 113 -10.806 0.596 -2.906 1.00 51.31 C ATOM 1933 O VAL B 113 -11.786 -0.123 -3.047 1.00 75.33 O ATOM 1934 CB VAL B 113 -8.673 -0.224 -1.786 1.00 52.21 C ATOM 1935 CG1 VAL B 113 -9.358 -1.383 -1.027 1.00 32.30 C ATOM 1936 CG2 VAL B 113 -7.163 -0.480 -1.957 1.00 4.14 C ATOM 0 H VAL B 113 -7.959 1.545 -3.545 1.00 31.03 H new ATOM 0 HA VAL B 113 -9.446 -0.908 -3.695 1.00 73.10 H new ATOM 0 HB VAL B 113 -8.773 0.681 -1.187 1.00 52.21 H new ATOM 0 HG11 VAL B 113 -8.847 -1.549 -0.079 1.00 32.30 H new ATOM 0 HG12 VAL B 113 -10.401 -1.128 -0.838 1.00 32.30 H new ATOM 0 HG13 VAL B 113 -9.310 -2.291 -1.629 1.00 32.30 H new ATOM 0 HG21 VAL B 113 -6.711 -0.659 -0.981 1.00 4.14 H new ATOM 0 HG22 VAL B 113 -7.012 -1.353 -2.592 1.00 4.14 H new ATOM 0 HG23 VAL B 113 -6.696 0.390 -2.419 1.00 4.14 H new ATOM 1946 N ARG B 114 -10.886 1.904 -2.581 1.00 34.22 N ATOM 1947 CA ARG B 114 -12.133 2.573 -2.142 1.00 52.14 C ATOM 1948 C ARG B 114 -13.216 2.593 -3.235 1.00 20.54 C ATOM 1949 O ARG B 114 -14.387 2.286 -2.956 1.00 22.23 O ATOM 1950 CB ARG B 114 -11.798 4.018 -1.665 1.00 34.14 C ATOM 1951 CG ARG B 114 -13.020 4.921 -1.383 1.00 24.02 C ATOM 1952 CD ARG B 114 -12.655 6.199 -0.621 1.00 24.33 C ATOM 1953 NE ARG B 114 -12.272 5.901 0.767 1.00 33.43 N ATOM 1954 CZ ARG B 114 -11.314 6.527 1.466 1.00 31.25 C ATOM 1955 NH1 ARG B 114 -10.592 7.513 0.918 1.00 11.20 N ATOM 1956 NH2 ARG B 114 -11.123 6.198 2.736 1.00 3.01 N ATOM 0 H ARG B 114 -10.082 2.531 -2.616 1.00 34.22 H new ATOM 0 HA ARG B 114 -12.549 1.996 -1.316 1.00 52.14 H new ATOM 0 HB2 ARG B 114 -11.198 3.953 -0.757 1.00 34.14 H new ATOM 0 HB3 ARG B 114 -11.179 4.499 -2.423 1.00 34.14 H new ATOM 0 HG2 ARG B 114 -13.492 5.190 -2.328 1.00 24.02 H new ATOM 0 HG3 ARG B 114 -13.756 4.359 -0.808 1.00 24.02 H new ATOM 0 HD2 ARG B 114 -11.833 6.705 -1.127 1.00 24.33 H new ATOM 0 HD3 ARG B 114 -13.503 6.884 -0.628 1.00 24.33 H new ATOM 0 HE ARG B 114 -12.779 5.153 1.239 1.00 33.43 H new ATOM 0 HH11 ARG B 114 -10.767 7.798 -0.045 1.00 11.20 H new ATOM 0 HH12 ARG B 114 -9.867 7.978 1.464 1.00 11.20 H new ATOM 0 HH21 ARG B 114 -11.701 5.477 3.169 1.00 3.01 H new ATOM 0 HH22 ARG B 114 -10.398 6.665 3.280 1.00 3.01 H new ATOM 1970 N GLU B 115 -12.827 2.960 -4.467 1.00 23.24 N ATOM 1971 CA GLU B 115 -13.753 2.966 -5.617 1.00 5.43 C ATOM 1972 C GLU B 115 -14.282 1.549 -5.898 1.00 24.42 C ATOM 1973 O GLU B 115 -15.454 1.374 -6.267 1.00 3.33 O ATOM 1974 CB GLU B 115 -13.085 3.566 -6.886 1.00 31.35 C ATOM 1975 CG GLU B 115 -12.454 4.966 -6.692 1.00 32.03 C ATOM 1976 CD GLU B 115 -13.380 5.972 -5.985 1.00 31.41 C ATOM 1977 OE1 GLU B 115 -14.229 6.584 -6.659 1.00 41.42 O ATOM 1978 OE2 GLU B 115 -13.266 6.143 -4.757 1.00 73.44 O ATOM 0 H GLU B 115 -11.878 3.257 -4.695 1.00 23.24 H new ATOM 0 HA GLU B 115 -14.597 3.604 -5.356 1.00 5.43 H new ATOM 0 HB2 GLU B 115 -12.311 2.880 -7.230 1.00 31.35 H new ATOM 0 HB3 GLU B 115 -13.832 3.627 -7.677 1.00 31.35 H new ATOM 0 HG2 GLU B 115 -11.536 4.863 -6.114 1.00 32.03 H new ATOM 0 HG3 GLU B 115 -12.174 5.366 -7.666 1.00 32.03 H new ATOM 1985 N CYS B 116 -13.415 0.546 -5.687 1.00 41.42 N ATOM 1986 CA CYS B 116 -13.776 -0.866 -5.855 1.00 75.30 C ATOM 1987 C CYS B 116 -14.576 -1.407 -4.640 1.00 72.22 C ATOM 1988 O CYS B 116 -15.300 -2.381 -4.765 1.00 12.24 O ATOM 1989 CB CYS B 116 -12.523 -1.722 -6.124 1.00 4.05 C ATOM 1990 SG CYS B 116 -11.589 -1.281 -7.606 1.00 30.04 S ATOM 0 H CYS B 116 -12.448 0.693 -5.396 1.00 41.42 H new ATOM 0 HA CYS B 116 -14.430 -0.936 -6.724 1.00 75.30 H new ATOM 0 HB2 CYS B 116 -11.860 -1.647 -5.262 1.00 4.05 H new ATOM 0 HB3 CYS B 116 -12.827 -2.766 -6.203 1.00 4.05 H new ATOM 0 HG CYS B 116 -10.576 -0.536 -7.275 1.00 30.04 H new ATOM 1996 N LEU B 117 -14.457 -0.752 -3.463 1.00 12.43 N ATOM 1997 CA LEU B 117 -15.260 -1.112 -2.264 1.00 3.25 C ATOM 1998 C LEU B 117 -16.731 -0.739 -2.482 1.00 55.14 C ATOM 1999 O LEU B 117 -17.632 -1.505 -2.135 1.00 1.21 O ATOM 2000 CB LEU B 117 -14.729 -0.399 -0.986 1.00 63.11 C ATOM 2001 CG LEU B 117 -13.422 -0.961 -0.359 1.00 11.30 C ATOM 2002 CD1 LEU B 117 -12.929 -0.043 0.771 1.00 13.34 C ATOM 2003 CD2 LEU B 117 -13.629 -2.394 0.153 1.00 23.42 C ATOM 0 H LEU B 117 -13.816 0.027 -3.314 1.00 12.43 H new ATOM 0 HA LEU B 117 -15.170 -2.189 -2.119 1.00 3.25 H new ATOM 0 HB2 LEU B 117 -14.565 0.651 -1.227 1.00 63.11 H new ATOM 0 HB3 LEU B 117 -15.511 -0.434 -0.228 1.00 63.11 H new ATOM 0 HG LEU B 117 -12.658 -0.991 -1.136 1.00 11.30 H new ATOM 0 HD11 LEU B 117 -12.013 -0.452 1.198 1.00 13.34 H new ATOM 0 HD12 LEU B 117 -12.731 0.952 0.371 1.00 13.34 H new ATOM 0 HD13 LEU B 117 -13.693 0.023 1.546 1.00 13.34 H new ATOM 0 HD21 LEU B 117 -12.700 -2.763 0.587 1.00 23.42 H new ATOM 0 HD22 LEU B 117 -14.411 -2.400 0.912 1.00 23.42 H new ATOM 0 HD23 LEU B 117 -13.923 -3.038 -0.676 1.00 23.42 H new