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= -1.22 (180deg=-1.24) USER MOD Set 1.2: B 84 MET CE :methyl -178:sc= -1.77 (180deg=-1.86) USER MOD Single : A 75 THR OG1 : rot 20:sc= 0.268 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -131:sc= 0.636 (180deg=0.0961) USER MOD Single : A 91 THR OG1 : rot 94:sc= 0.972 USER MOD Single : A 92 TYR OH : rot -39:sc= -0.262 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -174:sc=-0.00427 (180deg=-0.047) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -158:sc= -0.234 (180deg=-1.02) USER MOD Single : A 103 LYS NZ :NH3+ 138:sc= -0.0221 (180deg=-0.382) USER MOD Single : A 108 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.95) USER MOD Single : B 75 THR OG1 : rot 28:sc= 0.0628 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 89:sc= 1.16 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.498 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00885) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -136:sc= -0.313 (180deg=-1.4) USER MOD Single : B 103 LYS NZ :NH3+ 169:sc=-0.00926 (180deg=-0.149) USER MOD Single : B 108 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=-0.29) USER MOD Single : B 116 CYS SG : rot 101:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.046 -4.238 1.932 1.00 3.10 N ATOM 242 CA THR A 75 -11.991 -3.013 2.754 1.00 44.55 C ATOM 243 C THR A 75 -10.872 -3.153 3.828 1.00 63.34 C ATOM 244 O THR A 75 -10.422 -2.169 4.422 1.00 34.21 O ATOM 245 CB THR A 75 -13.379 -2.738 3.414 1.00 0.12 C ATOM 246 OG1 THR A 75 -14.428 -2.911 2.438 1.00 21.23 O ATOM 247 CG2 THR A 75 -13.471 -1.314 3.998 1.00 73.14 C ATOM 0 HA THR A 75 -11.753 -2.161 2.117 1.00 44.55 H new ATOM 0 HB THR A 75 -13.495 -3.450 4.231 1.00 0.12 H new ATOM 0 HG1 THR A 75 -14.097 -3.458 1.695 1.00 21.23 H new ATOM 0 HG21 THR A 75 -14.454 -1.168 4.447 1.00 73.14 H new ATOM 0 HG22 THR A 75 -12.701 -1.182 4.759 1.00 73.14 H new ATOM 0 HG23 THR A 75 -13.323 -0.584 3.202 1.00 73.14 H new ATOM 255 N ASP A 76 -10.444 -4.408 4.053 1.00 31.44 N ATOM 256 CA ASP A 76 -9.289 -4.746 4.901 1.00 63.45 C ATOM 257 C ASP A 76 -8.006 -4.312 4.201 1.00 22.04 C ATOM 258 O ASP A 76 -7.066 -3.877 4.849 1.00 35.31 O ATOM 259 CB ASP A 76 -9.256 -6.267 5.195 1.00 5.32 C ATOM 260 CG ASP A 76 -8.135 -6.689 6.153 1.00 21.11 C ATOM 261 OD1 ASP A 76 -8.275 -6.471 7.374 1.00 65.33 O ATOM 262 OD2 ASP A 76 -7.135 -7.274 5.713 1.00 21.53 O ATOM 0 H ASP A 76 -10.897 -5.226 3.645 1.00 31.44 H new ATOM 0 HA ASP A 76 -9.377 -4.220 5.852 1.00 63.45 H new ATOM 0 HB2 ASP A 76 -10.215 -6.566 5.618 1.00 5.32 H new ATOM 0 HB3 ASP A 76 -9.140 -6.807 4.255 1.00 5.32 H new ATOM 267 N LEU A 77 -8.001 -4.454 2.865 1.00 55.21 N ATOM 268 CA LEU A 77 -6.946 -3.920 1.992 1.00 14.23 C ATOM 269 C LEU A 77 -6.897 -2.388 2.105 1.00 32.30 C ATOM 270 O LEU A 77 -5.818 -1.816 2.265 1.00 73.21 O ATOM 271 CB LEU A 77 -7.194 -4.360 0.525 1.00 1.30 C ATOM 272 CG LEU A 77 -6.213 -3.789 -0.549 1.00 5.21 C ATOM 273 CD1 LEU A 77 -4.737 -4.163 -0.259 1.00 40.23 C ATOM 274 CD2 LEU A 77 -6.654 -4.230 -1.959 1.00 62.13 C ATOM 0 H LEU A 77 -8.736 -4.947 2.358 1.00 55.21 H new ATOM 0 HA LEU A 77 -5.982 -4.319 2.309 1.00 14.23 H new ATOM 0 HB2 LEU A 77 -7.150 -5.448 0.483 1.00 1.30 H new ATOM 0 HB3 LEU A 77 -8.208 -4.071 0.249 1.00 1.30 H new ATOM 0 HG LEU A 77 -6.260 -2.701 -0.500 1.00 5.21 H new ATOM 0 HD11 LEU A 77 -4.096 -3.743 -1.034 1.00 40.23 H new ATOM 0 HD12 LEU A 77 -4.444 -3.762 0.711 1.00 40.23 H new ATOM 0 HD13 LEU A 77 -4.632 -5.248 -0.250 1.00 40.23 H new ATOM 0 HD21 LEU A 77 -5.963 -3.826 -2.699 1.00 62.13 H new ATOM 0 HD22 LEU A 77 -6.652 -5.318 -2.017 1.00 62.13 H new ATOM 0 HD23 LEU A 77 -7.659 -3.857 -2.159 1.00 62.13 H new ATOM 286 N LEU A 78 -8.092 -1.754 2.068 1.00 1.51 N ATOM 287 CA LEU A 78 -8.260 -0.289 2.259 1.00 34.51 C ATOM 288 C LEU A 78 -7.658 0.153 3.616 1.00 61.31 C ATOM 289 O LEU A 78 -7.085 1.257 3.739 1.00 10.55 O ATOM 290 CB LEU A 78 -9.773 0.069 2.202 1.00 10.10 C ATOM 291 CG LEU A 78 -10.147 1.586 2.181 1.00 13.41 C ATOM 292 CD1 LEU A 78 -9.701 2.244 0.866 1.00 12.13 C ATOM 293 CD2 LEU A 78 -11.659 1.795 2.441 1.00 61.12 C ATOM 0 H LEU A 78 -8.972 -2.243 1.904 1.00 1.51 H new ATOM 0 HA LEU A 78 -7.733 0.237 1.463 1.00 34.51 H new ATOM 0 HB2 LEU A 78 -10.197 -0.396 1.312 1.00 10.10 H new ATOM 0 HB3 LEU A 78 -10.261 -0.387 3.063 1.00 10.10 H new ATOM 0 HG LEU A 78 -9.609 2.076 2.992 1.00 13.41 H new ATOM 0 HD11 LEU A 78 -9.973 3.299 0.877 1.00 12.13 H new ATOM 0 HD12 LEU A 78 -8.620 2.149 0.760 1.00 12.13 H new ATOM 0 HD13 LEU A 78 -10.193 1.751 0.027 1.00 12.13 H new ATOM 0 HD21 LEU A 78 -11.888 2.860 2.420 1.00 61.12 H new ATOM 0 HD22 LEU A 78 -12.235 1.285 1.669 1.00 61.12 H new ATOM 0 HD23 LEU A 78 -11.920 1.387 3.417 1.00 61.12 H new ATOM 305 N SER A 79 -7.796 -0.743 4.623 1.00 52.32 N ATOM 306 CA SER A 79 -7.222 -0.555 5.960 1.00 62.44 C ATOM 307 C SER A 79 -5.691 -0.636 5.916 1.00 11.13 C ATOM 308 O SER A 79 -5.038 0.243 6.461 1.00 3.11 O ATOM 309 CB SER A 79 -7.772 -1.603 6.949 1.00 14.34 C ATOM 310 OG SER A 79 -7.220 -1.438 8.251 1.00 22.13 O ATOM 0 H SER A 79 -8.312 -1.617 4.521 1.00 52.32 H new ATOM 0 HA SER A 79 -7.511 0.438 6.305 1.00 62.44 H new ATOM 0 HB2 SER A 79 -8.858 -1.520 7.001 1.00 14.34 H new ATOM 0 HB3 SER A 79 -7.546 -2.604 6.582 1.00 14.34 H new ATOM 0 HG SER A 79 -7.591 -2.117 8.852 1.00 22.13 H new ATOM 316 N VAL A 80 -5.134 -1.691 5.258 1.00 30.24 N ATOM 317 CA VAL A 80 -3.671 -1.913 5.184 1.00 4.11 C ATOM 318 C VAL A 80 -2.973 -0.693 4.570 1.00 11.20 C ATOM 319 O VAL A 80 -1.918 -0.281 5.042 1.00 14.25 O ATOM 320 CB VAL A 80 -3.277 -3.194 4.352 1.00 3.44 C ATOM 321 CG1 VAL A 80 -1.740 -3.406 4.313 1.00 11.31 C ATOM 322 CG2 VAL A 80 -3.975 -4.453 4.888 1.00 61.25 C ATOM 0 H VAL A 80 -5.683 -2.400 4.772 1.00 30.24 H new ATOM 0 HA VAL A 80 -3.340 -2.069 6.211 1.00 4.11 H new ATOM 0 HB VAL A 80 -3.620 -3.021 3.332 1.00 3.44 H new ATOM 0 HG11 VAL A 80 -1.510 -4.298 3.731 1.00 11.31 H new ATOM 0 HG12 VAL A 80 -1.265 -2.540 3.853 1.00 11.31 H new ATOM 0 HG13 VAL A 80 -1.364 -3.529 5.329 1.00 11.31 H new ATOM 0 HG21 VAL A 80 -3.680 -5.315 4.290 1.00 61.25 H new ATOM 0 HG22 VAL A 80 -3.686 -4.615 5.926 1.00 61.25 H new ATOM 0 HG23 VAL A 80 -5.056 -4.323 4.828 1.00 61.25 H new ATOM 332 N ILE A 81 -3.587 -0.131 3.512 1.00 2.21 N ATOM 333 CA ILE A 81 -3.090 1.081 2.853 1.00 14.11 C ATOM 334 C ILE A 81 -2.917 2.241 3.864 1.00 44.33 C ATOM 335 O ILE A 81 -1.827 2.816 3.969 1.00 32.00 O ATOM 336 CB ILE A 81 -4.024 1.530 1.674 1.00 52.12 C ATOM 337 CG1 ILE A 81 -4.259 0.374 0.647 1.00 1.12 C ATOM 338 CG2 ILE A 81 -3.448 2.765 0.969 1.00 24.03 C ATOM 339 CD1 ILE A 81 -3.007 -0.213 0.000 1.00 14.15 C ATOM 0 H ILE A 81 -4.439 -0.507 3.095 1.00 2.21 H new ATOM 0 HA ILE A 81 -2.114 0.833 2.436 1.00 14.11 H new ATOM 0 HB ILE A 81 -4.991 1.790 2.104 1.00 52.12 H new ATOM 0 HG12 ILE A 81 -4.794 -0.430 1.152 1.00 1.12 H new ATOM 0 HG13 ILE A 81 -4.912 0.744 -0.143 1.00 1.12 H new ATOM 0 HG21 ILE A 81 -4.110 3.061 0.155 1.00 24.03 H new ATOM 0 HG22 ILE A 81 -3.362 3.584 1.683 1.00 24.03 H new ATOM 0 HG23 ILE A 81 -2.462 2.528 0.568 1.00 24.03 H new ATOM 0 HD11 ILE A 81 -3.292 -1.005 -0.692 1.00 14.15 H new ATOM 0 HD12 ILE A 81 -2.477 0.570 -0.543 1.00 14.15 H new ATOM 0 HD13 ILE A 81 -2.357 -0.623 0.772 1.00 14.15 H new ATOM 351 N GLU A 82 -3.981 2.527 4.636 1.00 23.31 N ATOM 352 CA GLU A 82 -3.977 3.621 5.628 1.00 53.25 C ATOM 353 C GLU A 82 -3.006 3.321 6.793 1.00 21.54 C ATOM 354 O GLU A 82 -2.387 4.242 7.344 1.00 22.50 O ATOM 355 CB GLU A 82 -5.418 3.865 6.157 1.00 64.24 C ATOM 356 CG GLU A 82 -5.530 4.998 7.202 1.00 21.01 C ATOM 357 CD GLU A 82 -6.950 5.205 7.754 1.00 71.33 C ATOM 358 OE1 GLU A 82 -7.537 4.231 8.272 1.00 71.40 O ATOM 359 OE2 GLU A 82 -7.464 6.348 7.716 1.00 30.52 O ATOM 0 H GLU A 82 -4.861 2.013 4.592 1.00 23.31 H new ATOM 0 HA GLU A 82 -3.625 4.528 5.136 1.00 53.25 H new ATOM 0 HB2 GLU A 82 -6.067 4.100 5.313 1.00 64.24 H new ATOM 0 HB3 GLU A 82 -5.791 2.941 6.599 1.00 64.24 H new ATOM 0 HG2 GLU A 82 -4.857 4.780 8.032 1.00 21.01 H new ATOM 0 HG3 GLU A 82 -5.188 5.929 6.750 1.00 21.01 H new ATOM 366 N GLU A 83 -2.867 2.022 7.135 1.00 0.33 N ATOM 367 CA GLU A 83 -1.927 1.560 8.173 1.00 12.41 C ATOM 368 C GLU A 83 -0.498 1.945 7.799 1.00 62.25 C ATOM 369 O GLU A 83 0.201 2.619 8.569 1.00 35.13 O ATOM 370 CB GLU A 83 -2.018 0.029 8.392 1.00 43.01 C ATOM 371 CG GLU A 83 -3.307 -0.454 9.080 1.00 42.11 C ATOM 372 CD GLU A 83 -3.524 0.190 10.457 1.00 3.42 C ATOM 373 OE1 GLU A 83 -2.747 -0.101 11.390 1.00 11.55 O ATOM 374 OE2 GLU A 83 -4.457 1.003 10.612 1.00 14.54 O ATOM 0 H GLU A 83 -3.401 1.270 6.701 1.00 0.33 H new ATOM 0 HA GLU A 83 -2.204 2.049 9.107 1.00 12.41 H new ATOM 0 HB2 GLU A 83 -1.932 -0.467 7.425 1.00 43.01 H new ATOM 0 HB3 GLU A 83 -1.164 -0.289 8.990 1.00 43.01 H new ATOM 0 HG2 GLU A 83 -4.161 -0.230 8.440 1.00 42.11 H new ATOM 0 HG3 GLU A 83 -3.269 -1.538 9.193 1.00 42.11 H new ATOM 381 N MET A 84 -0.111 1.550 6.576 1.00 53.43 N ATOM 382 CA MET A 84 1.199 1.846 6.009 1.00 45.41 C ATOM 383 C MET A 84 1.415 3.364 5.895 1.00 33.42 C ATOM 384 O MET A 84 2.519 3.850 6.144 1.00 34.11 O ATOM 385 CB MET A 84 1.349 1.140 4.631 1.00 53.01 C ATOM 386 CG MET A 84 1.267 -0.398 4.713 1.00 12.13 C ATOM 387 SD MET A 84 1.474 -1.222 3.116 1.00 44.33 S ATOM 388 CE MET A 84 0.148 -0.531 2.125 1.00 41.31 C ATOM 0 H MET A 84 -0.711 1.011 5.952 1.00 53.43 H new ATOM 0 HA MET A 84 1.971 1.461 6.675 1.00 45.41 H new ATOM 0 HB2 MET A 84 0.570 1.502 3.960 1.00 53.01 H new ATOM 0 HB3 MET A 84 2.305 1.422 4.190 1.00 53.01 H new ATOM 0 HG2 MET A 84 2.033 -0.758 5.400 1.00 12.13 H new ATOM 0 HG3 MET A 84 0.302 -0.680 5.135 1.00 12.13 H new ATOM 0 HE1 MET A 84 0.110 -1.040 1.162 1.00 41.31 H new ATOM 0 HE2 MET A 84 -0.801 -0.665 2.643 1.00 41.31 H new ATOM 0 HE3 MET A 84 0.328 0.532 1.967 1.00 41.31 H new ATOM 398 N GLY A 85 0.312 4.090 5.608 1.00 43.30 N ATOM 399 CA GLY A 85 0.323 5.548 5.481 1.00 63.23 C ATOM 400 C GLY A 85 0.785 6.272 6.730 1.00 52.42 C ATOM 401 O GLY A 85 1.473 7.289 6.642 1.00 70.03 O ATOM 0 H GLY A 85 -0.607 3.673 5.459 1.00 43.30 H new ATOM 0 HA2 GLY A 85 0.973 5.825 4.651 1.00 63.23 H new ATOM 0 HA3 GLY A 85 -0.681 5.888 5.227 1.00 63.23 H new ATOM 405 N LYS A 86 0.444 5.711 7.895 1.00 3.14 N ATOM 406 CA LYS A 86 0.820 6.283 9.201 1.00 60.04 C ATOM 407 C LYS A 86 2.297 5.976 9.490 1.00 42.32 C ATOM 408 O LYS A 86 3.068 6.852 9.912 1.00 73.14 O ATOM 409 CB LYS A 86 -0.051 5.688 10.332 1.00 51.03 C ATOM 410 CG LYS A 86 -1.575 5.855 10.142 1.00 43.33 C ATOM 411 CD LYS A 86 -2.390 5.118 11.239 1.00 2.23 C ATOM 412 CE LYS A 86 -2.094 3.606 11.278 1.00 11.13 C ATOM 413 NZ LYS A 86 -2.946 2.887 12.264 1.00 41.13 N ATOM 0 H LYS A 86 -0.099 4.850 7.964 1.00 3.14 H new ATOM 0 HA LYS A 86 0.661 7.361 9.164 1.00 60.04 H new ATOM 0 HB2 LYS A 86 0.174 4.625 10.422 1.00 51.03 H new ATOM 0 HB3 LYS A 86 0.235 6.155 11.274 1.00 51.03 H new ATOM 0 HG2 LYS A 86 -1.827 6.915 10.156 1.00 43.33 H new ATOM 0 HG3 LYS A 86 -1.861 5.473 9.162 1.00 43.33 H new ATOM 0 HD2 LYS A 86 -2.162 5.555 12.211 1.00 2.23 H new ATOM 0 HD3 LYS A 86 -3.454 5.272 11.062 1.00 2.23 H new ATOM 0 HE2 LYS A 86 -2.253 3.182 10.287 1.00 11.13 H new ATOM 0 HE3 LYS A 86 -1.044 3.450 11.527 1.00 11.13 H new ATOM 0 HZ1 LYS A 86 -2.349 2.278 12.860 1.00 41.13 H new ATOM 0 HZ2 LYS A 86 -3.443 3.578 12.862 1.00 41.13 H new ATOM 0 HZ3 LYS A 86 -3.642 2.302 11.760 1.00 41.13 H new ATOM 427 N GLU A 87 2.675 4.718 9.198 1.00 63.32 N ATOM 428 CA GLU A 87 3.961 4.131 9.607 1.00 5.41 C ATOM 429 C GLU A 87 5.117 4.583 8.700 1.00 31.12 C ATOM 430 O GLU A 87 6.260 4.184 8.921 1.00 61.02 O ATOM 431 CB GLU A 87 3.827 2.593 9.638 1.00 5.02 C ATOM 432 CG GLU A 87 2.717 2.094 10.592 1.00 41.14 C ATOM 433 CD GLU A 87 2.490 0.582 10.512 1.00 74.32 C ATOM 434 OE1 GLU A 87 1.907 0.118 9.511 1.00 13.25 O ATOM 435 OE2 GLU A 87 2.887 -0.151 11.442 1.00 41.12 O ATOM 0 H GLU A 87 2.089 4.075 8.666 1.00 63.32 H new ATOM 0 HA GLU A 87 4.207 4.488 10.607 1.00 5.41 H new ATOM 0 HB2 GLU A 87 3.619 2.233 8.630 1.00 5.02 H new ATOM 0 HB3 GLU A 87 4.779 2.158 9.941 1.00 5.02 H new ATOM 0 HG2 GLU A 87 2.979 2.362 11.616 1.00 41.14 H new ATOM 0 HG3 GLU A 87 1.785 2.608 10.356 1.00 41.14 H new ATOM 442 N ILE A 88 4.808 5.426 7.701 1.00 72.41 N ATOM 443 CA ILE A 88 5.816 6.122 6.890 1.00 51.24 C ATOM 444 C ILE A 88 6.621 7.100 7.763 1.00 20.04 C ATOM 445 O ILE A 88 7.827 7.262 7.562 1.00 13.24 O ATOM 446 CB ILE A 88 5.137 6.894 5.695 1.00 53.32 C ATOM 447 CG1 ILE A 88 4.425 5.879 4.755 1.00 14.21 C ATOM 448 CG2 ILE A 88 6.155 7.768 4.913 1.00 44.35 C ATOM 449 CD1 ILE A 88 3.628 6.506 3.641 1.00 63.04 C ATOM 0 H ILE A 88 3.848 5.644 7.434 1.00 72.41 H new ATOM 0 HA ILE A 88 6.495 5.376 6.476 1.00 51.24 H new ATOM 0 HB ILE A 88 4.395 7.578 6.108 1.00 53.32 H new ATOM 0 HG12 ILE A 88 5.176 5.219 4.320 1.00 14.21 H new ATOM 0 HG13 ILE A 88 3.760 5.255 5.353 1.00 14.21 H new ATOM 0 HG21 ILE A 88 5.644 8.282 4.099 1.00 44.35 H new ATOM 0 HG22 ILE A 88 6.596 8.503 5.586 1.00 44.35 H new ATOM 0 HG23 ILE A 88 6.941 7.133 4.504 1.00 44.35 H new ATOM 0 HD11 ILE A 88 3.168 5.723 3.038 1.00 63.04 H new ATOM 0 HD12 ILE A 88 2.851 7.143 4.063 1.00 63.04 H new ATOM 0 HD13 ILE A 88 4.288 7.106 3.015 1.00 63.04 H new ATOM 461 N ARG A 89 5.945 7.737 8.749 1.00 21.03 N ATOM 462 CA ARG A 89 6.578 8.743 9.614 1.00 53.22 C ATOM 463 C ARG A 89 7.726 8.139 10.480 1.00 5.12 C ATOM 464 O ARG A 89 8.864 8.604 10.358 1.00 23.25 O ATOM 465 CB ARG A 89 5.537 9.514 10.474 1.00 74.13 C ATOM 466 CG ARG A 89 6.169 10.588 11.387 1.00 12.12 C ATOM 467 CD ARG A 89 5.135 11.348 12.232 1.00 5.41 C ATOM 468 NE ARG A 89 5.783 12.310 13.149 1.00 11.11 N ATOM 469 CZ ARG A 89 5.248 13.476 13.564 1.00 13.52 C ATOM 470 NH1 ARG A 89 4.040 13.862 13.157 1.00 42.11 N ATOM 471 NH2 ARG A 89 5.938 14.248 14.389 1.00 72.11 N ATOM 0 H ARG A 89 4.962 7.567 8.960 1.00 21.03 H new ATOM 0 HA ARG A 89 7.041 9.475 8.953 1.00 53.22 H new ATOM 0 HB2 ARG A 89 4.813 9.990 9.813 1.00 74.13 H new ATOM 0 HB3 ARG A 89 4.987 8.802 11.090 1.00 74.13 H new ATOM 0 HG2 ARG A 89 6.892 10.113 12.050 1.00 12.12 H new ATOM 0 HG3 ARG A 89 6.720 11.300 10.772 1.00 12.12 H new ATOM 0 HD2 ARG A 89 4.446 11.878 11.575 1.00 5.41 H new ATOM 0 HD3 ARG A 89 4.542 10.638 12.808 1.00 5.41 H new ATOM 0 HE ARG A 89 6.712 12.072 13.497 1.00 11.11 H new ATOM 0 HH11 ARG A 89 3.504 13.272 12.521 1.00 42.11 H new ATOM 0 HH12 ARG A 89 3.651 14.747 13.481 1.00 42.11 H new ATOM 0 HH21 ARG A 89 6.864 13.958 14.704 1.00 72.11 H new ATOM 0 HH22 ARG A 89 5.544 15.132 14.710 1.00 72.11 H new ATOM 485 N PRO A 90 7.487 7.088 11.351 1.00 23.15 N ATOM 486 CA PRO A 90 8.577 6.508 12.170 1.00 12.04 C ATOM 487 C PRO A 90 9.680 5.845 11.309 1.00 25.15 C ATOM 488 O PRO A 90 10.858 5.915 11.669 1.00 74.25 O ATOM 489 CB PRO A 90 7.852 5.498 13.088 1.00 20.32 C ATOM 490 CG PRO A 90 6.579 5.163 12.368 1.00 15.41 C ATOM 491 CD PRO A 90 6.190 6.412 11.625 1.00 0.25 C ATOM 0 HA PRO A 90 9.118 7.266 12.736 1.00 12.04 H new ATOM 0 HB2 PRO A 90 8.459 4.607 13.252 1.00 20.32 H new ATOM 0 HB3 PRO A 90 7.649 5.930 14.068 1.00 20.32 H new ATOM 0 HG2 PRO A 90 6.725 4.329 11.682 1.00 15.41 H new ATOM 0 HG3 PRO A 90 5.799 4.866 13.069 1.00 15.41 H new ATOM 0 HD2 PRO A 90 5.659 6.178 10.702 1.00 0.25 H new ATOM 0 HD3 PRO A 90 5.530 7.042 12.222 1.00 0.25 H new ATOM 499 N THR A 91 9.293 5.250 10.156 1.00 44.00 N ATOM 500 CA THR A 91 10.249 4.709 9.163 1.00 55.03 C ATOM 501 C THR A 91 11.217 5.807 8.669 1.00 5.13 C ATOM 502 O THR A 91 12.438 5.642 8.709 1.00 73.12 O ATOM 503 CB THR A 91 9.484 4.088 7.948 1.00 3.30 C ATOM 504 OG1 THR A 91 8.733 2.950 8.402 1.00 13.22 O ATOM 505 CG2 THR A 91 10.418 3.661 6.795 1.00 71.02 C ATOM 0 H THR A 91 8.315 5.132 9.890 1.00 44.00 H new ATOM 0 HA THR A 91 10.833 3.929 9.652 1.00 55.03 H new ATOM 0 HB THR A 91 8.826 4.861 7.550 1.00 3.30 H new ATOM 0 HG1 THR A 91 7.822 3.229 8.629 1.00 13.22 H new ATOM 0 HG21 THR A 91 9.825 3.238 5.984 1.00 71.02 H new ATOM 0 HG22 THR A 91 10.966 4.530 6.430 1.00 71.02 H new ATOM 0 HG23 THR A 91 11.124 2.913 7.156 1.00 71.02 H new ATOM 513 N TYR A 92 10.627 6.933 8.247 1.00 62.33 N ATOM 514 CA TYR A 92 11.349 8.121 7.783 1.00 35.23 C ATOM 515 C TYR A 92 12.196 8.723 8.915 1.00 5.01 C ATOM 516 O TYR A 92 13.220 9.343 8.660 1.00 73.11 O ATOM 517 CB TYR A 92 10.334 9.168 7.251 1.00 71.32 C ATOM 518 CG TYR A 92 10.972 10.403 6.611 1.00 32.25 C ATOM 519 CD1 TYR A 92 11.652 10.305 5.399 1.00 64.30 C ATOM 520 CD2 TYR A 92 10.905 11.659 7.209 1.00 10.31 C ATOM 521 CE1 TYR A 92 12.231 11.398 4.813 1.00 1.45 C ATOM 522 CE2 TYR A 92 11.484 12.761 6.622 1.00 33.12 C ATOM 523 CZ TYR A 92 12.147 12.625 5.424 1.00 62.44 C ATOM 524 OH TYR A 92 12.725 13.726 4.843 1.00 63.12 O ATOM 0 H TYR A 92 9.613 7.044 8.219 1.00 62.33 H new ATOM 0 HA TYR A 92 12.024 7.831 6.978 1.00 35.23 H new ATOM 0 HB2 TYR A 92 9.687 8.688 6.517 1.00 71.32 H new ATOM 0 HB3 TYR A 92 9.697 9.490 8.075 1.00 71.32 H new ATOM 0 HD1 TYR A 92 11.724 9.344 4.911 1.00 64.30 H new ATOM 0 HD2 TYR A 92 10.389 11.770 8.151 1.00 10.31 H new ATOM 0 HE1 TYR A 92 12.752 11.296 3.873 1.00 1.45 H new ATOM 0 HE2 TYR A 92 11.418 13.728 7.099 1.00 33.12 H new ATOM 0 HH TYR A 92 13.585 13.473 4.446 1.00 63.12 H new ATOM 534 N ALA A 93 11.765 8.499 10.170 1.00 23.23 N ATOM 535 CA ALA A 93 12.446 9.023 11.372 1.00 33.41 C ATOM 536 C ALA A 93 13.598 8.106 11.828 1.00 73.32 C ATOM 537 O ALA A 93 14.160 8.313 12.911 1.00 5.51 O ATOM 538 CB ALA A 93 11.421 9.223 12.496 1.00 30.21 C ATOM 0 H ALA A 93 10.933 7.948 10.381 1.00 23.23 H new ATOM 0 HA ALA A 93 12.894 9.984 11.120 1.00 33.41 H new ATOM 0 HB1 ALA A 93 11.924 9.610 13.382 1.00 30.21 H new ATOM 0 HB2 ALA A 93 10.660 9.933 12.172 1.00 30.21 H new ATOM 0 HB3 ALA A 93 10.950 8.269 12.733 1.00 30.21 H new ATOM 544 N GLY A 94 13.944 7.107 10.994 1.00 2.13 N ATOM 545 CA GLY A 94 15.092 6.237 11.245 1.00 44.12 C ATOM 546 C GLY A 94 14.788 5.010 12.090 1.00 22.44 C ATOM 547 O GLY A 94 15.703 4.263 12.434 1.00 54.35 O ATOM 0 H GLY A 94 13.436 6.887 10.137 1.00 2.13 H new ATOM 0 HA2 GLY A 94 15.499 5.910 10.288 1.00 44.12 H new ATOM 0 HA3 GLY A 94 15.870 6.819 11.740 1.00 44.12 H new ATOM 551 N SER A 95 13.511 4.790 12.440 1.00 12.35 N ATOM 552 CA SER A 95 13.095 3.593 13.197 1.00 33.34 C ATOM 553 C SER A 95 13.105 2.326 12.318 1.00 65.33 C ATOM 554 O SER A 95 12.214 2.139 11.474 1.00 63.31 O ATOM 555 CB SER A 95 11.705 3.815 13.817 1.00 63.01 C ATOM 556 OG SER A 95 11.687 5.000 14.601 1.00 61.31 O ATOM 0 H SER A 95 12.746 5.425 12.212 1.00 12.35 H new ATOM 0 HA SER A 95 13.819 3.436 13.997 1.00 33.34 H new ATOM 0 HB2 SER A 95 10.956 3.884 13.028 1.00 63.01 H new ATOM 0 HB3 SER A 95 11.437 2.959 14.437 1.00 63.01 H new ATOM 0 HG SER A 95 10.794 5.125 14.985 1.00 61.31 H new ATOM 562 N LYS A 96 14.146 1.485 12.512 1.00 15.21 N ATOM 563 CA LYS A 96 14.322 0.203 11.798 1.00 0.32 C ATOM 564 C LYS A 96 13.122 -0.735 11.972 1.00 62.15 C ATOM 565 O LYS A 96 12.734 -1.424 11.023 1.00 52.22 O ATOM 566 CB LYS A 96 15.625 -0.489 12.276 1.00 62.02 C ATOM 567 CG LYS A 96 15.655 -0.836 13.783 1.00 64.12 C ATOM 568 CD LYS A 96 16.961 -1.533 14.231 1.00 52.24 C ATOM 569 CE LYS A 96 17.245 -2.833 13.449 1.00 12.31 C ATOM 570 NZ LYS A 96 16.100 -3.786 13.501 1.00 34.00 N ATOM 0 H LYS A 96 14.895 1.681 13.176 1.00 15.21 H new ATOM 0 HA LYS A 96 14.395 0.427 10.734 1.00 0.32 H new ATOM 0 HB2 LYS A 96 15.765 -1.405 11.703 1.00 62.02 H new ATOM 0 HB3 LYS A 96 16.470 0.161 12.050 1.00 62.02 H new ATOM 0 HG2 LYS A 96 15.524 0.079 14.361 1.00 64.12 H new ATOM 0 HG3 LYS A 96 14.809 -1.483 14.015 1.00 64.12 H new ATOM 0 HD2 LYS A 96 17.797 -0.846 14.100 1.00 52.24 H new ATOM 0 HD3 LYS A 96 16.899 -1.761 15.295 1.00 52.24 H new ATOM 0 HE2 LYS A 96 17.464 -2.589 12.410 1.00 12.31 H new ATOM 0 HE3 LYS A 96 18.134 -3.314 13.858 1.00 12.31 H new ATOM 0 HZ1 LYS A 96 16.374 -4.682 13.050 1.00 34.00 H new ATOM 0 HZ2 LYS A 96 15.840 -3.962 14.492 1.00 34.00 H new ATOM 0 HZ3 LYS A 96 15.286 -3.379 12.997 1.00 34.00 H new ATOM 584 N SER A 97 12.552 -0.753 13.193 1.00 52.12 N ATOM 585 CA SER A 97 11.381 -1.574 13.525 1.00 2.12 C ATOM 586 C SER A 97 10.181 -1.172 12.663 1.00 25.13 C ATOM 587 O SER A 97 9.510 -2.030 12.086 1.00 21.32 O ATOM 588 CB SER A 97 11.038 -1.436 15.017 1.00 43.11 C ATOM 589 OG SER A 97 12.141 -1.807 15.819 1.00 71.42 O ATOM 0 H SER A 97 12.895 -0.196 13.975 1.00 52.12 H new ATOM 0 HA SER A 97 11.620 -2.617 13.317 1.00 2.12 H new ATOM 0 HB2 SER A 97 10.752 -0.407 15.236 1.00 43.11 H new ATOM 0 HB3 SER A 97 10.180 -2.063 15.258 1.00 43.11 H new ATOM 0 HG SER A 97 11.904 -1.711 16.765 1.00 71.42 H new ATOM 595 N ALA A 98 9.955 0.150 12.562 1.00 41.35 N ATOM 596 CA ALA A 98 8.874 0.725 11.755 1.00 12.40 C ATOM 597 C ALA A 98 9.029 0.351 10.280 1.00 44.14 C ATOM 598 O ALA A 98 8.057 -0.022 9.643 1.00 1.51 O ATOM 599 CB ALA A 98 8.859 2.240 11.904 1.00 1.43 C ATOM 0 H ALA A 98 10.522 0.849 13.042 1.00 41.35 H new ATOM 0 HA ALA A 98 7.930 0.316 12.115 1.00 12.40 H new ATOM 0 HB1 ALA A 98 8.053 2.657 11.301 1.00 1.43 H new ATOM 0 HB2 ALA A 98 8.702 2.501 12.950 1.00 1.43 H new ATOM 0 HB3 ALA A 98 9.812 2.648 11.568 1.00 1.43 H new ATOM 605 N MET A 99 10.277 0.451 9.776 1.00 11.31 N ATOM 606 CA MET A 99 10.643 0.144 8.379 1.00 5.45 C ATOM 607 C MET A 99 10.375 -1.329 8.031 1.00 61.20 C ATOM 608 O MET A 99 9.758 -1.627 7.005 1.00 30.20 O ATOM 609 CB MET A 99 12.142 0.507 8.148 1.00 55.51 C ATOM 610 CG MET A 99 12.719 0.190 6.740 1.00 71.14 C ATOM 611 SD MET A 99 13.046 -1.567 6.453 1.00 70.41 S ATOM 612 CE MET A 99 14.212 -1.929 7.765 1.00 15.43 C ATOM 0 H MET A 99 11.072 0.753 10.339 1.00 11.31 H new ATOM 0 HA MET A 99 10.019 0.744 7.717 1.00 5.45 H new ATOM 0 HB2 MET A 99 12.269 1.573 8.338 1.00 55.51 H new ATOM 0 HB3 MET A 99 12.740 -0.022 8.890 1.00 55.51 H new ATOM 0 HG2 MET A 99 12.019 0.546 5.984 1.00 71.14 H new ATOM 0 HG3 MET A 99 13.646 0.748 6.605 1.00 71.14 H new ATOM 0 HE1 MET A 99 14.791 -2.815 7.503 1.00 15.43 H new ATOM 0 HE2 MET A 99 14.885 -1.082 7.898 1.00 15.43 H new ATOM 0 HE3 MET A 99 13.670 -2.111 8.693 1.00 15.43 H new ATOM 622 N GLU A 100 10.831 -2.224 8.914 1.00 42.35 N ATOM 623 CA GLU A 100 10.759 -3.685 8.725 1.00 45.05 C ATOM 624 C GLU A 100 9.296 -4.167 8.749 1.00 71.51 C ATOM 625 O GLU A 100 8.875 -4.981 7.924 1.00 3.24 O ATOM 626 CB GLU A 100 11.612 -4.360 9.838 1.00 44.23 C ATOM 627 CG GLU A 100 11.802 -5.885 9.704 1.00 64.41 C ATOM 628 CD GLU A 100 12.882 -6.420 10.658 1.00 61.21 C ATOM 629 OE1 GLU A 100 14.074 -6.378 10.298 1.00 33.03 O ATOM 630 OE2 GLU A 100 12.549 -6.844 11.776 1.00 3.21 O ATOM 0 H GLU A 100 11.268 -1.954 9.795 1.00 42.35 H new ATOM 0 HA GLU A 100 11.160 -3.962 7.750 1.00 45.05 H new ATOM 0 HB2 GLU A 100 12.595 -3.890 9.852 1.00 44.23 H new ATOM 0 HB3 GLU A 100 11.147 -4.154 10.802 1.00 44.23 H new ATOM 0 HG2 GLU A 100 10.857 -6.387 9.910 1.00 64.41 H new ATOM 0 HG3 GLU A 100 12.074 -6.127 8.677 1.00 64.41 H new ATOM 637 N ARG A 101 8.526 -3.605 9.681 1.00 51.54 N ATOM 638 CA ARG A 101 7.087 -3.898 9.831 1.00 14.31 C ATOM 639 C ARG A 101 6.268 -3.208 8.722 1.00 62.30 C ATOM 640 O ARG A 101 5.193 -3.696 8.358 1.00 5.45 O ATOM 641 CB ARG A 101 6.585 -3.469 11.242 1.00 61.30 C ATOM 642 CG ARG A 101 6.807 -4.502 12.381 1.00 55.21 C ATOM 643 CD ARG A 101 8.288 -4.837 12.631 1.00 14.23 C ATOM 644 NE ARG A 101 8.455 -5.819 13.717 1.00 72.34 N ATOM 645 CZ ARG A 101 9.243 -6.903 13.657 1.00 13.12 C ATOM 646 NH1 ARG A 101 9.955 -7.170 12.583 1.00 54.23 N ATOM 647 NH2 ARG A 101 9.302 -7.713 14.691 1.00 61.21 N ATOM 0 H ARG A 101 8.878 -2.930 10.360 1.00 51.54 H new ATOM 0 HA ARG A 101 6.945 -4.974 9.732 1.00 14.31 H new ATOM 0 HB2 ARG A 101 7.084 -2.540 11.517 1.00 61.30 H new ATOM 0 HB3 ARG A 101 5.519 -3.251 11.177 1.00 61.30 H new ATOM 0 HG2 ARG A 101 6.371 -4.114 13.302 1.00 55.21 H new ATOM 0 HG3 ARG A 101 6.272 -5.420 12.137 1.00 55.21 H new ATOM 0 HD2 ARG A 101 8.731 -5.230 11.716 1.00 14.23 H new ATOM 0 HD3 ARG A 101 8.829 -3.924 12.881 1.00 14.23 H new ATOM 0 HE ARG A 101 7.932 -5.663 14.579 1.00 72.34 H new ATOM 0 HH11 ARG A 101 9.914 -6.547 11.776 1.00 54.23 H new ATOM 0 HH12 ARG A 101 10.548 -7.999 12.557 1.00 54.23 H new ATOM 0 HH21 ARG A 101 8.752 -7.514 15.527 1.00 61.21 H new ATOM 0 HH22 ARG A 101 9.898 -8.540 14.657 1.00 61.21 H new ATOM 661 N LEU A 102 6.788 -2.082 8.189 1.00 50.15 N ATOM 662 CA LEU A 102 6.142 -1.351 7.078 1.00 55.10 C ATOM 663 C LEU A 102 6.213 -2.197 5.804 1.00 65.42 C ATOM 664 O LEU A 102 5.242 -2.289 5.042 1.00 5.11 O ATOM 665 CB LEU A 102 6.810 0.042 6.849 1.00 72.54 C ATOM 666 CG LEU A 102 6.108 0.988 5.823 1.00 44.41 C ATOM 667 CD1 LEU A 102 4.655 1.250 6.224 1.00 2.10 C ATOM 668 CD2 LEU A 102 6.890 2.311 5.653 1.00 23.53 C ATOM 0 H LEU A 102 7.658 -1.658 8.512 1.00 50.15 H new ATOM 0 HA LEU A 102 5.099 -1.173 7.338 1.00 55.10 H new ATOM 0 HB2 LEU A 102 6.863 0.557 7.808 1.00 72.54 H new ATOM 0 HB3 LEU A 102 7.835 -0.121 6.517 1.00 72.54 H new ATOM 0 HG LEU A 102 6.102 0.484 4.856 1.00 44.41 H new ATOM 0 HD11 LEU A 102 4.189 1.911 5.493 1.00 2.10 H new ATOM 0 HD12 LEU A 102 4.111 0.306 6.258 1.00 2.10 H new ATOM 0 HD13 LEU A 102 4.628 1.720 7.207 1.00 2.10 H new ATOM 0 HD21 LEU A 102 6.376 2.947 4.933 1.00 23.53 H new ATOM 0 HD22 LEU A 102 6.950 2.824 6.613 1.00 23.53 H new ATOM 0 HD23 LEU A 102 7.896 2.095 5.293 1.00 23.53 H new ATOM 680 N LYS A 103 7.376 -2.841 5.615 1.00 73.11 N ATOM 681 CA LYS A 103 7.621 -3.755 4.490 1.00 62.45 C ATOM 682 C LYS A 103 6.747 -5.016 4.591 1.00 15.44 C ATOM 683 O LYS A 103 6.352 -5.585 3.560 1.00 61.20 O ATOM 684 CB LYS A 103 9.126 -4.129 4.409 1.00 52.13 C ATOM 685 CG LYS A 103 10.048 -2.935 4.064 1.00 24.11 C ATOM 686 CD LYS A 103 11.531 -3.335 3.880 1.00 25.13 C ATOM 687 CE LYS A 103 11.745 -4.316 2.713 1.00 55.43 C ATOM 688 NZ LYS A 103 11.204 -3.778 1.433 1.00 72.10 N ATOM 0 H LYS A 103 8.175 -2.741 6.241 1.00 73.11 H new ATOM 0 HA LYS A 103 7.345 -3.237 3.572 1.00 62.45 H new ATOM 0 HB2 LYS A 103 9.438 -4.553 5.364 1.00 52.13 H new ATOM 0 HB3 LYS A 103 9.258 -4.907 3.657 1.00 52.13 H new ATOM 0 HG2 LYS A 103 9.691 -2.463 3.149 1.00 24.11 H new ATOM 0 HG3 LYS A 103 9.976 -2.190 4.856 1.00 24.11 H new ATOM 0 HD2 LYS A 103 12.126 -2.438 3.708 1.00 25.13 H new ATOM 0 HD3 LYS A 103 11.897 -3.788 4.801 1.00 25.13 H new ATOM 0 HE2 LYS A 103 12.810 -4.521 2.600 1.00 55.43 H new ATOM 0 HE3 LYS A 103 11.261 -5.265 2.942 1.00 55.43 H new ATOM 0 HZ1 LYS A 103 11.872 -3.979 0.662 1.00 72.10 H new ATOM 0 HZ2 LYS A 103 10.290 -4.229 1.225 1.00 72.10 H new ATOM 0 HZ3 LYS A 103 11.071 -2.750 1.517 1.00 72.10 H new ATOM 702 N ARG A 104 6.448 -5.438 5.834 1.00 64.04 N ATOM 703 CA ARG A 104 5.525 -6.555 6.086 1.00 31.32 C ATOM 704 C ARG A 104 4.087 -6.206 5.646 1.00 3.01 C ATOM 705 O ARG A 104 3.348 -7.083 5.172 1.00 44.11 O ATOM 706 CB ARG A 104 5.541 -6.955 7.577 1.00 74.33 C ATOM 707 CG ARG A 104 4.655 -8.182 7.890 1.00 71.11 C ATOM 708 CD ARG A 104 4.556 -8.502 9.386 1.00 24.03 C ATOM 709 NE ARG A 104 3.710 -9.689 9.639 1.00 1.24 N ATOM 710 CZ ARG A 104 2.575 -9.706 10.365 1.00 54.30 C ATOM 711 NH1 ARG A 104 2.110 -8.598 10.936 1.00 1.12 N ATOM 712 NH2 ARG A 104 1.908 -10.843 10.519 1.00 43.21 N ATOM 0 H ARG A 104 6.835 -5.019 6.680 1.00 64.04 H new ATOM 0 HA ARG A 104 5.867 -7.402 5.492 1.00 31.32 H new ATOM 0 HB2 ARG A 104 6.567 -7.170 7.877 1.00 74.33 H new ATOM 0 HB3 ARG A 104 5.204 -6.109 8.177 1.00 74.33 H new ATOM 0 HG2 ARG A 104 3.653 -8.006 7.498 1.00 71.11 H new ATOM 0 HG3 ARG A 104 5.054 -9.051 7.367 1.00 71.11 H new ATOM 0 HD2 ARG A 104 5.554 -8.675 9.788 1.00 24.03 H new ATOM 0 HD3 ARG A 104 4.144 -7.643 9.915 1.00 24.03 H new ATOM 0 HE ARG A 104 4.012 -10.572 9.228 1.00 1.24 H new ATOM 0 HH11 ARG A 104 2.614 -7.718 10.827 1.00 1.12 H new ATOM 0 HH12 ARG A 104 1.249 -8.628 11.482 1.00 1.12 H new ATOM 0 HH21 ARG A 104 2.255 -11.700 10.088 1.00 43.21 H new ATOM 0 HH22 ARG A 104 1.048 -10.860 11.068 1.00 43.21 H new ATOM 726 N GLY A 105 3.713 -4.917 5.796 1.00 0.42 N ATOM 727 CA GLY A 105 2.398 -4.435 5.356 1.00 72.44 C ATOM 728 C GLY A 105 2.184 -4.626 3.872 1.00 34.12 C ATOM 729 O GLY A 105 1.093 -4.984 3.442 1.00 71.41 O ATOM 0 H GLY A 105 4.304 -4.200 6.217 1.00 0.42 H new ATOM 0 HA2 GLY A 105 1.618 -4.963 5.904 1.00 72.44 H new ATOM 0 HA3 GLY A 105 2.300 -3.378 5.602 1.00 72.44 H new ATOM 733 N ILE A 106 3.265 -4.422 3.100 1.00 62.24 N ATOM 734 CA ILE A 106 3.278 -4.637 1.644 1.00 23.54 C ATOM 735 C ILE A 106 3.066 -6.134 1.281 1.00 63.13 C ATOM 736 O ILE A 106 2.480 -6.439 0.234 1.00 44.31 O ATOM 737 CB ILE A 106 4.599 -4.026 1.003 1.00 20.12 C ATOM 738 CG1 ILE A 106 4.428 -2.482 0.761 1.00 32.05 C ATOM 739 CG2 ILE A 106 5.042 -4.739 -0.305 1.00 21.15 C ATOM 740 CD1 ILE A 106 4.419 -1.610 1.999 1.00 4.21 C ATOM 0 H ILE A 106 4.159 -4.101 3.471 1.00 62.24 H new ATOM 0 HA ILE A 106 2.433 -4.104 1.209 1.00 23.54 H new ATOM 0 HB ILE A 106 5.397 -4.196 1.726 1.00 20.12 H new ATOM 0 HG12 ILE A 106 5.235 -2.145 0.110 1.00 32.05 H new ATOM 0 HG13 ILE A 106 3.495 -2.321 0.221 1.00 32.05 H new ATOM 0 HG21 ILE A 106 5.949 -4.270 -0.686 1.00 21.15 H new ATOM 0 HG22 ILE A 106 5.237 -5.791 -0.098 1.00 21.15 H new ATOM 0 HG23 ILE A 106 4.251 -4.657 -1.050 1.00 21.15 H new ATOM 0 HD11 ILE A 106 4.295 -0.567 1.708 1.00 4.21 H new ATOM 0 HD12 ILE A 106 3.594 -1.906 2.647 1.00 4.21 H new ATOM 0 HD13 ILE A 106 5.361 -1.728 2.534 1.00 4.21 H new ATOM 752 N ILE A 107 3.517 -7.058 2.152 1.00 24.01 N ATOM 753 CA ILE A 107 3.302 -8.510 1.957 1.00 75.25 C ATOM 754 C ILE A 107 1.789 -8.822 2.001 1.00 13.21 C ATOM 755 O ILE A 107 1.242 -9.414 1.057 1.00 75.35 O ATOM 756 CB ILE A 107 4.061 -9.367 3.037 1.00 2.24 C ATOM 757 CG1 ILE A 107 5.595 -9.052 3.011 1.00 21.50 C ATOM 758 CG2 ILE A 107 3.784 -10.888 2.854 1.00 50.30 C ATOM 759 CD1 ILE A 107 6.407 -9.787 4.065 1.00 64.42 C ATOM 0 H ILE A 107 4.034 -6.826 3.000 1.00 24.01 H new ATOM 0 HA ILE A 107 3.707 -8.780 0.982 1.00 75.25 H new ATOM 0 HB ILE A 107 3.679 -9.090 4.019 1.00 2.24 H new ATOM 0 HG12 ILE A 107 5.988 -9.304 2.026 1.00 21.50 H new ATOM 0 HG13 ILE A 107 5.735 -7.979 3.145 1.00 21.50 H new ATOM 0 HG21 ILE A 107 4.323 -11.450 3.616 1.00 50.30 H new ATOM 0 HG22 ILE A 107 2.715 -11.078 2.952 1.00 50.30 H new ATOM 0 HG23 ILE A 107 4.119 -11.203 1.866 1.00 50.30 H new ATOM 0 HD11 ILE A 107 7.457 -9.510 3.974 1.00 64.42 H new ATOM 0 HD12 ILE A 107 6.045 -9.517 5.057 1.00 64.42 H new ATOM 0 HD13 ILE A 107 6.302 -10.862 3.921 1.00 64.42 H new ATOM 771 N HIS A 108 1.125 -8.361 3.084 1.00 23.02 N ATOM 772 CA HIS A 108 -0.323 -8.571 3.284 1.00 22.31 C ATOM 773 C HIS A 108 -1.140 -7.841 2.202 1.00 64.50 C ATOM 774 O HIS A 108 -2.115 -8.384 1.693 1.00 62.44 O ATOM 775 CB HIS A 108 -0.754 -8.088 4.693 1.00 32.40 C ATOM 776 CG HIS A 108 -2.199 -8.345 5.045 1.00 54.22 C ATOM 777 ND1 HIS A 108 -2.921 -7.506 5.853 1.00 2.13 N ATOM 778 CD2 HIS A 108 -3.061 -9.333 4.685 1.00 63.04 C ATOM 779 CE1 HIS A 108 -4.138 -7.967 5.998 1.00 41.41 C ATOM 780 NE2 HIS A 108 -4.254 -9.073 5.293 1.00 73.34 N ATOM 0 H HIS A 108 1.574 -7.838 3.836 1.00 23.02 H new ATOM 0 HA HIS A 108 -0.521 -9.640 3.203 1.00 22.31 H new ATOM 0 HB2 HIS A 108 -0.123 -8.576 5.436 1.00 32.40 H new ATOM 0 HB3 HIS A 108 -0.563 -7.017 4.767 1.00 32.40 H new ATOM 0 HD2 HIS A 108 -2.842 -10.169 4.037 1.00 63.04 H new ATOM 0 HE1 HIS A 108 -4.916 -7.516 6.596 1.00 41.41 H new ATOM 0 HE2 HIS A 108 -5.097 -9.642 5.214 1.00 73.34 H new ATOM 789 N ALA A 109 -0.713 -6.618 1.857 1.00 5.11 N ATOM 790 CA ALA A 109 -1.398 -5.774 0.867 1.00 52.44 C ATOM 791 C ALA A 109 -1.378 -6.420 -0.527 1.00 12.13 C ATOM 792 O ALA A 109 -2.421 -6.555 -1.157 1.00 70.05 O ATOM 793 CB ALA A 109 -0.768 -4.378 0.826 1.00 14.03 C ATOM 0 H ALA A 109 0.119 -6.185 2.258 1.00 5.11 H new ATOM 0 HA ALA A 109 -2.440 -5.676 1.172 1.00 52.44 H new ATOM 0 HB1 ALA A 109 -1.287 -3.766 0.088 1.00 14.03 H new ATOM 0 HB2 ALA A 109 -0.852 -3.912 1.808 1.00 14.03 H new ATOM 0 HB3 ALA A 109 0.284 -4.461 0.553 1.00 14.03 H new ATOM 799 N ARG A 110 -0.189 -6.874 -0.970 1.00 33.34 N ATOM 800 CA ARG A 110 -0.006 -7.450 -2.321 1.00 52.22 C ATOM 801 C ARG A 110 -0.684 -8.825 -2.414 1.00 51.14 C ATOM 802 O ARG A 110 -1.086 -9.251 -3.504 1.00 3.44 O ATOM 803 CB ARG A 110 1.507 -7.549 -2.687 1.00 15.34 C ATOM 804 CG ARG A 110 1.785 -7.659 -4.204 1.00 13.23 C ATOM 805 CD ARG A 110 3.278 -7.619 -4.565 1.00 43.05 C ATOM 806 NE ARG A 110 3.481 -7.532 -6.024 1.00 61.45 N ATOM 807 CZ ARG A 110 4.660 -7.322 -6.629 1.00 33.23 C ATOM 808 NH1 ARG A 110 5.780 -7.191 -5.917 1.00 35.42 N ATOM 809 NH2 ARG A 110 4.709 -7.218 -7.954 1.00 70.35 N ATOM 0 H ARG A 110 0.664 -6.853 -0.411 1.00 33.34 H new ATOM 0 HA ARG A 110 -0.479 -6.784 -3.043 1.00 52.22 H new ATOM 0 HB2 ARG A 110 2.022 -6.671 -2.297 1.00 15.34 H new ATOM 0 HB3 ARG A 110 1.935 -8.418 -2.186 1.00 15.34 H new ATOM 0 HG2 ARG A 110 1.356 -8.589 -4.576 1.00 13.23 H new ATOM 0 HG3 ARG A 110 1.275 -6.844 -4.718 1.00 13.23 H new ATOM 0 HD2 ARG A 110 3.748 -6.763 -4.080 1.00 43.05 H new ATOM 0 HD3 ARG A 110 3.770 -8.513 -4.181 1.00 43.05 H new ATOM 0 HE ARG A 110 2.660 -7.640 -6.620 1.00 61.45 H new ATOM 0 HH11 ARG A 110 5.747 -7.250 -4.899 1.00 35.42 H new ATOM 0 HH12 ARG A 110 6.669 -7.032 -6.390 1.00 35.42 H new ATOM 0 HH21 ARG A 110 3.854 -7.298 -8.504 1.00 70.35 H new ATOM 0 HH22 ARG A 110 5.602 -7.058 -8.420 1.00 70.35 H new ATOM 823 N ALA A 111 -0.820 -9.499 -1.247 1.00 22.13 N ATOM 824 CA ALA A 111 -1.573 -10.758 -1.130 1.00 32.43 C ATOM 825 C ALA A 111 -3.059 -10.492 -1.402 1.00 1.23 C ATOM 826 O ALA A 111 -3.639 -11.107 -2.278 1.00 23.04 O ATOM 827 CB ALA A 111 -1.380 -11.396 0.256 1.00 0.13 C ATOM 0 H ALA A 111 -0.411 -9.182 -0.368 1.00 22.13 H new ATOM 0 HA ALA A 111 -1.192 -11.463 -1.869 1.00 32.43 H new ATOM 0 HB1 ALA A 111 -1.949 -12.324 0.312 1.00 0.13 H new ATOM 0 HB2 ALA A 111 -0.323 -11.608 0.415 1.00 0.13 H new ATOM 0 HB3 ALA A 111 -1.732 -10.708 1.025 1.00 0.13 H new ATOM 833 N LEU A 112 -3.625 -9.491 -0.693 1.00 41.43 N ATOM 834 CA LEU A 112 -5.064 -9.143 -0.780 1.00 2.40 C ATOM 835 C LEU A 112 -5.441 -8.710 -2.207 1.00 5.42 C ATOM 836 O LEU A 112 -6.483 -9.119 -2.729 1.00 23.01 O ATOM 837 CB LEU A 112 -5.422 -8.026 0.239 1.00 63.52 C ATOM 838 CG LEU A 112 -5.310 -8.413 1.749 1.00 12.32 C ATOM 839 CD1 LEU A 112 -5.545 -7.180 2.648 1.00 22.22 C ATOM 840 CD2 LEU A 112 -6.263 -9.577 2.118 1.00 23.24 C ATOM 0 H LEU A 112 -3.101 -8.902 -0.046 1.00 41.43 H new ATOM 0 HA LEU A 112 -5.640 -10.034 -0.532 1.00 2.40 H new ATOM 0 HB2 LEU A 112 -4.771 -7.171 0.054 1.00 63.52 H new ATOM 0 HB3 LEU A 112 -6.443 -7.697 0.044 1.00 63.52 H new ATOM 0 HG LEU A 112 -4.295 -8.770 1.925 1.00 12.32 H new ATOM 0 HD11 LEU A 112 -5.462 -7.472 3.695 1.00 22.22 H new ATOM 0 HD12 LEU A 112 -4.798 -6.419 2.424 1.00 22.22 H new ATOM 0 HD13 LEU A 112 -6.541 -6.778 2.461 1.00 22.22 H new ATOM 0 HD21 LEU A 112 -6.154 -9.815 3.176 1.00 23.24 H new ATOM 0 HD22 LEU A 112 -7.293 -9.282 1.917 1.00 23.24 H new ATOM 0 HD23 LEU A 112 -6.014 -10.454 1.521 1.00 23.24 H new ATOM 852 N VAL A 113 -4.558 -7.913 -2.844 1.00 42.03 N ATOM 853 CA VAL A 113 -4.760 -7.462 -4.225 1.00 71.14 C ATOM 854 C VAL A 113 -4.776 -8.665 -5.188 1.00 62.31 C ATOM 855 O VAL A 113 -5.704 -8.809 -5.984 1.00 44.40 O ATOM 856 CB VAL A 113 -3.683 -6.417 -4.703 1.00 72.22 C ATOM 857 CG1 VAL A 113 -3.979 -5.965 -6.147 1.00 41.20 C ATOM 858 CG2 VAL A 113 -3.608 -5.200 -3.758 1.00 60.31 C ATOM 0 H VAL A 113 -3.697 -7.571 -2.417 1.00 42.03 H new ATOM 0 HA VAL A 113 -5.726 -6.957 -4.241 1.00 71.14 H new ATOM 0 HB VAL A 113 -2.711 -6.909 -4.679 1.00 72.22 H new ATOM 0 HG11 VAL A 113 -3.226 -5.243 -6.464 1.00 41.20 H new ATOM 0 HG12 VAL A 113 -3.955 -6.829 -6.811 1.00 41.20 H new ATOM 0 HG13 VAL A 113 -4.965 -5.503 -6.189 1.00 41.20 H new ATOM 0 HG21 VAL A 113 -2.854 -4.503 -4.122 1.00 60.31 H new ATOM 0 HG22 VAL A 113 -4.577 -4.703 -3.728 1.00 60.31 H new ATOM 0 HG23 VAL A 113 -3.340 -5.534 -2.756 1.00 60.31 H new ATOM 868 N ARG A 114 -3.768 -9.535 -5.053 1.00 40.44 N ATOM 869 CA ARG A 114 -3.584 -10.711 -5.920 1.00 72.23 C ATOM 870 C ARG A 114 -4.793 -11.666 -5.834 1.00 73.24 C ATOM 871 O ARG A 114 -5.383 -12.020 -6.856 1.00 1.53 O ATOM 872 CB ARG A 114 -2.290 -11.455 -5.514 1.00 21.44 C ATOM 873 CG ARG A 114 -1.951 -12.693 -6.369 1.00 60.42 C ATOM 874 CD ARG A 114 -0.761 -13.482 -5.796 1.00 3.20 C ATOM 875 NE ARG A 114 -0.405 -14.651 -6.620 1.00 44.25 N ATOM 876 CZ ARG A 114 -0.736 -15.924 -6.351 1.00 3.14 C ATOM 877 NH1 ARG A 114 -1.476 -16.238 -5.293 1.00 22.24 N ATOM 878 NH2 ARG A 114 -0.310 -16.887 -7.155 1.00 31.10 N ATOM 0 H ARG A 114 -3.050 -9.444 -4.334 1.00 40.44 H new ATOM 0 HA ARG A 114 -3.502 -10.368 -6.952 1.00 72.23 H new ATOM 0 HB2 ARG A 114 -1.455 -10.756 -5.568 1.00 21.44 H new ATOM 0 HB3 ARG A 114 -2.379 -11.765 -4.473 1.00 21.44 H new ATOM 0 HG2 ARG A 114 -2.823 -13.344 -6.426 1.00 60.42 H new ATOM 0 HG3 ARG A 114 -1.721 -12.378 -7.387 1.00 60.42 H new ATOM 0 HD2 ARG A 114 0.103 -12.822 -5.716 1.00 3.20 H new ATOM 0 HD3 ARG A 114 -1.003 -13.814 -4.786 1.00 3.20 H new ATOM 0 HE ARG A 114 0.139 -14.478 -7.466 1.00 44.25 H new ATOM 0 HH11 ARG A 114 -1.805 -15.505 -4.665 1.00 22.24 H new ATOM 0 HH12 ARG A 114 -1.715 -17.212 -5.109 1.00 22.24 H new ATOM 0 HH21 ARG A 114 0.263 -16.657 -7.967 1.00 31.10 H new ATOM 0 HH22 ARG A 114 -0.555 -17.858 -6.962 1.00 31.10 H new ATOM 1319 N THR B 75 -4.579 -4.005 -10.925 1.00 45.14 N ATOM 1320 CA THR B 75 -3.217 -4.478 -11.242 1.00 61.34 C ATOM 1321 C THR B 75 -2.235 -3.295 -11.135 1.00 41.55 C ATOM 1322 O THR B 75 -1.052 -3.474 -10.824 1.00 3.32 O ATOM 1323 CB THR B 75 -3.158 -5.133 -12.659 1.00 11.44 C ATOM 1324 OG1 THR B 75 -4.050 -6.256 -12.676 1.00 21.01 O ATOM 1325 CG2 THR B 75 -1.741 -5.603 -13.053 1.00 12.34 C ATOM 0 HA THR B 75 -2.932 -5.248 -10.525 1.00 61.34 H new ATOM 0 HB THR B 75 -3.451 -4.375 -13.385 1.00 11.44 H new ATOM 0 HG1 THR B 75 -4.780 -6.103 -12.040 1.00 21.01 H new ATOM 0 HG21 THR B 75 -1.769 -6.048 -14.047 1.00 12.34 H new ATOM 0 HG22 THR B 75 -1.063 -4.750 -13.056 1.00 12.34 H new ATOM 0 HG23 THR B 75 -1.390 -6.343 -12.334 1.00 12.34 H new ATOM 1333 N ASP B 76 -2.760 -2.076 -11.387 1.00 55.45 N ATOM 1334 CA ASP B 76 -2.034 -0.823 -11.124 1.00 72.01 C ATOM 1335 C ASP B 76 -1.778 -0.710 -9.622 1.00 4.11 C ATOM 1336 O ASP B 76 -0.686 -0.359 -9.216 1.00 5.22 O ATOM 1337 CB ASP B 76 -2.819 0.405 -11.655 1.00 55.23 C ATOM 1338 CG ASP B 76 -2.069 1.736 -11.445 1.00 60.54 C ATOM 1339 OD1 ASP B 76 -1.200 2.074 -12.270 1.00 63.55 O ATOM 1340 OD2 ASP B 76 -2.337 2.445 -10.454 1.00 44.12 O ATOM 0 H ASP B 76 -3.693 -1.938 -11.776 1.00 55.45 H new ATOM 0 HA ASP B 76 -1.081 -0.839 -11.653 1.00 72.01 H new ATOM 0 HB2 ASP B 76 -3.018 0.270 -12.718 1.00 55.23 H new ATOM 0 HB3 ASP B 76 -3.786 0.456 -11.154 1.00 55.23 H new ATOM 1345 N LEU B 77 -2.798 -1.078 -8.820 1.00 75.51 N ATOM 1346 CA LEU B 77 -2.697 -1.146 -7.359 1.00 45.13 C ATOM 1347 C LEU B 77 -1.680 -2.208 -6.923 1.00 10.15 C ATOM 1348 O LEU B 77 -0.876 -1.948 -6.035 1.00 43.14 O ATOM 1349 CB LEU B 77 -4.082 -1.427 -6.725 1.00 21.33 C ATOM 1350 CG LEU B 77 -4.102 -1.558 -5.166 1.00 41.04 C ATOM 1351 CD1 LEU B 77 -3.439 -0.355 -4.476 1.00 24.12 C ATOM 1352 CD2 LEU B 77 -5.530 -1.759 -4.644 1.00 32.02 C ATOM 0 H LEU B 77 -3.718 -1.337 -9.176 1.00 75.51 H new ATOM 0 HA LEU B 77 -2.346 -0.177 -7.004 1.00 45.13 H new ATOM 0 HB2 LEU B 77 -4.762 -0.625 -7.012 1.00 21.33 H new ATOM 0 HB3 LEU B 77 -4.477 -2.348 -7.153 1.00 21.33 H new ATOM 0 HG LEU B 77 -3.516 -2.443 -4.917 1.00 41.04 H new ATOM 0 HD11 LEU B 77 -3.476 -0.490 -3.395 1.00 24.12 H new ATOM 0 HD12 LEU B 77 -2.400 -0.279 -4.797 1.00 24.12 H new ATOM 0 HD13 LEU B 77 -3.970 0.558 -4.746 1.00 24.12 H new ATOM 0 HD21 LEU B 77 -5.511 -1.847 -3.558 1.00 32.02 H new ATOM 0 HD22 LEU B 77 -6.145 -0.905 -4.929 1.00 32.02 H new ATOM 0 HD23 LEU B 77 -5.950 -2.668 -5.074 1.00 32.02 H new ATOM 1364 N LEU B 78 -1.711 -3.377 -7.582 1.00 61.13 N ATOM 1365 CA LEU B 78 -0.753 -4.484 -7.339 1.00 64.31 C ATOM 1366 C LEU B 78 0.698 -3.993 -7.549 1.00 62.50 C ATOM 1367 O LEU B 78 1.626 -4.379 -6.811 1.00 41.03 O ATOM 1368 CB LEU B 78 -1.069 -5.661 -8.300 1.00 65.42 C ATOM 1369 CG LEU B 78 -0.296 -6.995 -8.052 1.00 41.25 C ATOM 1370 CD1 LEU B 78 -0.717 -7.649 -6.721 1.00 73.05 C ATOM 1371 CD2 LEU B 78 -0.477 -7.969 -9.234 1.00 11.04 C ATOM 0 H LEU B 78 -2.401 -3.589 -8.303 1.00 61.13 H new ATOM 0 HA LEU B 78 -0.853 -4.826 -6.309 1.00 64.31 H new ATOM 0 HB2 LEU B 78 -2.137 -5.871 -8.242 1.00 65.42 H new ATOM 0 HB3 LEU B 78 -0.864 -5.333 -9.319 1.00 65.42 H new ATOM 0 HG LEU B 78 0.764 -6.754 -7.978 1.00 41.25 H new ATOM 0 HD11 LEU B 78 -0.160 -8.575 -6.579 1.00 73.05 H new ATOM 0 HD12 LEU B 78 -0.504 -6.968 -5.897 1.00 73.05 H new ATOM 0 HD13 LEU B 78 -1.785 -7.867 -6.745 1.00 73.05 H new ATOM 0 HD21 LEU B 78 0.072 -8.889 -9.034 1.00 11.04 H new ATOM 0 HD22 LEU B 78 -1.536 -8.197 -9.358 1.00 11.04 H new ATOM 0 HD23 LEU B 78 -0.095 -7.509 -10.146 1.00 11.04 H new ATOM 1383 N SER B 79 0.849 -3.108 -8.560 1.00 62.33 N ATOM 1384 CA SER B 79 2.105 -2.429 -8.867 1.00 11.12 C ATOM 1385 C SER B 79 2.445 -1.391 -7.783 1.00 60.54 C ATOM 1386 O SER B 79 3.588 -1.343 -7.350 1.00 55.12 O ATOM 1387 CB SER B 79 2.025 -1.769 -10.263 1.00 5.45 C ATOM 1388 OG SER B 79 3.230 -1.094 -10.597 1.00 24.52 O ATOM 0 H SER B 79 0.087 -2.850 -9.186 1.00 62.33 H new ATOM 0 HA SER B 79 2.907 -3.167 -8.881 1.00 11.12 H new ATOM 0 HB2 SER B 79 1.815 -2.531 -11.014 1.00 5.45 H new ATOM 0 HB3 SER B 79 1.195 -1.063 -10.284 1.00 5.45 H new ATOM 0 HG SER B 79 3.143 -0.691 -11.486 1.00 24.52 H new ATOM 1394 N VAL B 80 1.438 -0.591 -7.328 1.00 71.43 N ATOM 1395 CA VAL B 80 1.643 0.465 -6.308 1.00 52.45 C ATOM 1396 C VAL B 80 2.208 -0.140 -5.014 1.00 21.25 C ATOM 1397 O VAL B 80 3.112 0.431 -4.416 1.00 12.51 O ATOM 1398 CB VAL B 80 0.325 1.272 -5.960 1.00 72.24 C ATOM 1399 CG1 VAL B 80 0.566 2.326 -4.847 1.00 1.14 C ATOM 1400 CG2 VAL B 80 -0.277 1.963 -7.193 1.00 60.35 C ATOM 0 H VAL B 80 0.475 -0.663 -7.657 1.00 71.43 H new ATOM 0 HA VAL B 80 2.352 1.167 -6.748 1.00 52.45 H new ATOM 0 HB VAL B 80 -0.387 0.531 -5.595 1.00 72.24 H new ATOM 0 HG11 VAL B 80 -0.364 2.856 -4.640 1.00 1.14 H new ATOM 0 HG12 VAL B 80 0.908 1.826 -3.941 1.00 1.14 H new ATOM 0 HG13 VAL B 80 1.323 3.037 -5.177 1.00 1.14 H new ATOM 0 HG21 VAL B 80 -1.178 2.503 -6.904 1.00 60.35 H new ATOM 0 HG22 VAL B 80 0.448 2.663 -7.608 1.00 60.35 H new ATOM 0 HG23 VAL B 80 -0.528 1.214 -7.944 1.00 60.35 H new ATOM 1410 N ILE B 81 1.665 -1.308 -4.608 1.00 55.01 N ATOM 1411 CA ILE B 81 2.101 -2.018 -3.397 1.00 51.12 C ATOM 1412 C ILE B 81 3.628 -2.268 -3.420 1.00 3.13 C ATOM 1413 O ILE B 81 4.323 -1.987 -2.435 1.00 42.34 O ATOM 1414 CB ILE B 81 1.333 -3.375 -3.197 1.00 74.43 C ATOM 1415 CG1 ILE B 81 -0.215 -3.183 -3.267 1.00 42.45 C ATOM 1416 CG2 ILE B 81 1.724 -4.024 -1.864 1.00 12.21 C ATOM 1417 CD1 ILE B 81 -0.812 -2.197 -2.267 1.00 71.32 C ATOM 0 H ILE B 81 0.914 -1.780 -5.112 1.00 55.01 H new ATOM 0 HA ILE B 81 1.861 -1.374 -2.551 1.00 51.12 H new ATOM 0 HB ILE B 81 1.624 -4.035 -4.014 1.00 74.43 H new ATOM 0 HG12 ILE B 81 -0.475 -2.853 -4.273 1.00 42.45 H new ATOM 0 HG13 ILE B 81 -0.689 -4.153 -3.118 1.00 42.45 H new ATOM 0 HG21 ILE B 81 1.182 -4.962 -1.743 1.00 12.21 H new ATOM 0 HG22 ILE B 81 2.796 -4.220 -1.856 1.00 12.21 H new ATOM 0 HG23 ILE B 81 1.472 -3.351 -1.044 1.00 12.21 H new ATOM 0 HD11 ILE B 81 -1.892 -2.145 -2.408 1.00 71.32 H new ATOM 0 HD12 ILE B 81 -0.594 -2.531 -1.253 1.00 71.32 H new ATOM 0 HD13 ILE B 81 -0.377 -1.210 -2.425 1.00 71.32 H new ATOM 1429 N GLU B 82 4.127 -2.740 -4.574 1.00 13.42 N ATOM 1430 CA GLU B 82 5.571 -2.959 -4.793 1.00 20.31 C ATOM 1431 C GLU B 82 6.338 -1.624 -4.841 1.00 3.41 C ATOM 1432 O GLU B 82 7.406 -1.499 -4.242 1.00 74.22 O ATOM 1433 CB GLU B 82 5.797 -3.750 -6.112 1.00 5.11 C ATOM 1434 CG GLU B 82 7.283 -3.974 -6.472 1.00 52.44 C ATOM 1435 CD GLU B 82 7.494 -4.833 -7.726 1.00 25.24 C ATOM 1436 OE1 GLU B 82 7.249 -4.331 -8.835 1.00 0.03 O ATOM 1437 OE2 GLU B 82 7.915 -6.003 -7.604 1.00 23.21 O ATOM 0 H GLU B 82 3.547 -2.980 -5.378 1.00 13.42 H new ATOM 0 HA GLU B 82 5.955 -3.540 -3.954 1.00 20.31 H new ATOM 0 HB2 GLU B 82 5.305 -4.719 -6.030 1.00 5.11 H new ATOM 0 HB3 GLU B 82 5.314 -3.216 -6.930 1.00 5.11 H new ATOM 0 HG2 GLU B 82 7.761 -3.006 -6.622 1.00 52.44 H new ATOM 0 HG3 GLU B 82 7.784 -4.450 -5.629 1.00 52.44 H new ATOM 1444 N GLU B 83 5.759 -0.640 -5.550 1.00 33.12 N ATOM 1445 CA GLU B 83 6.346 0.705 -5.739 1.00 4.52 C ATOM 1446 C GLU B 83 6.555 1.445 -4.411 1.00 70.34 C ATOM 1447 O GLU B 83 7.453 2.293 -4.290 1.00 65.45 O ATOM 1448 CB GLU B 83 5.452 1.535 -6.690 1.00 71.01 C ATOM 1449 CG GLU B 83 5.457 1.063 -8.158 1.00 50.24 C ATOM 1450 CD GLU B 83 6.840 1.158 -8.825 1.00 12.32 C ATOM 1451 OE1 GLU B 83 7.206 2.256 -9.293 1.00 32.13 O ATOM 1452 OE2 GLU B 83 7.567 0.139 -8.878 1.00 22.02 O ATOM 0 H GLU B 83 4.859 -0.754 -6.015 1.00 33.12 H new ATOM 0 HA GLU B 83 7.333 0.576 -6.184 1.00 4.52 H new ATOM 0 HB2 GLU B 83 4.428 1.509 -6.318 1.00 71.01 H new ATOM 0 HB3 GLU B 83 5.777 2.575 -6.656 1.00 71.01 H new ATOM 0 HG2 GLU B 83 5.111 0.030 -8.201 1.00 50.24 H new ATOM 0 HG3 GLU B 83 4.745 1.661 -8.727 1.00 50.24 H new ATOM 1459 N MET B 84 5.723 1.104 -3.429 1.00 32.13 N ATOM 1460 CA MET B 84 5.844 1.602 -2.065 1.00 31.55 C ATOM 1461 C MET B 84 6.886 0.761 -1.309 1.00 44.00 C ATOM 1462 O MET B 84 7.821 1.309 -0.740 1.00 73.10 O ATOM 1463 CB MET B 84 4.455 1.567 -1.362 1.00 1.40 C ATOM 1464 CG MET B 84 3.418 2.505 -2.004 1.00 75.14 C ATOM 1465 SD MET B 84 1.819 2.505 -1.163 1.00 73.04 S ATOM 1466 CE MET B 84 1.314 0.788 -1.239 1.00 21.01 C ATOM 0 H MET B 84 4.938 0.467 -3.562 1.00 32.13 H new ATOM 0 HA MET B 84 6.182 2.638 -2.073 1.00 31.55 H new ATOM 0 HB2 MET B 84 4.072 0.547 -1.382 1.00 1.40 H new ATOM 0 HB3 MET B 84 4.580 1.840 -0.314 1.00 1.40 H new ATOM 0 HG2 MET B 84 3.815 3.520 -2.011 1.00 75.14 H new ATOM 0 HG3 MET B 84 3.272 2.213 -3.044 1.00 75.14 H new ATOM 0 HE1 MET B 84 0.329 0.678 -0.784 1.00 21.01 H new ATOM 0 HE2 MET B 84 1.271 0.467 -2.280 1.00 21.01 H new ATOM 0 HE3 MET B 84 2.034 0.173 -0.699 1.00 21.01 H new ATOM 1476 N GLY B 85 6.745 -0.579 -1.412 1.00 71.32 N ATOM 1477 CA GLY B 85 7.574 -1.542 -0.672 1.00 62.23 C ATOM 1478 C GLY B 85 9.072 -1.439 -0.919 1.00 1.13 C ATOM 1479 O GLY B 85 9.883 -1.800 -0.057 1.00 43.41 O ATOM 0 H GLY B 85 6.049 -1.019 -2.014 1.00 71.32 H new ATOM 0 HA2 GLY B 85 7.389 -1.411 0.394 1.00 62.23 H new ATOM 0 HA3 GLY B 85 7.249 -2.550 -0.931 1.00 62.23 H new ATOM 1483 N LYS B 86 9.430 -0.908 -2.091 1.00 52.33 N ATOM 1484 CA LYS B 86 10.831 -0.743 -2.506 1.00 41.34 C ATOM 1485 C LYS B 86 11.397 0.596 -2.000 1.00 73.11 C ATOM 1486 O LYS B 86 12.558 0.670 -1.571 1.00 72.35 O ATOM 1487 CB LYS B 86 10.937 -0.845 -4.045 1.00 54.15 C ATOM 1488 CG LYS B 86 10.091 0.197 -4.817 1.00 61.23 C ATOM 1489 CD LYS B 86 10.111 -0.014 -6.343 1.00 65.42 C ATOM 1490 CE LYS B 86 11.504 0.158 -6.943 1.00 61.41 C ATOM 1491 NZ LYS B 86 11.480 0.023 -8.423 1.00 3.22 N ATOM 0 H LYS B 86 8.757 -0.579 -2.783 1.00 52.33 H new ATOM 0 HA LYS B 86 11.427 -1.541 -2.063 1.00 41.34 H new ATOM 0 HB2 LYS B 86 11.982 -0.731 -4.333 1.00 54.15 H new ATOM 0 HB3 LYS B 86 10.629 -1.844 -4.352 1.00 54.15 H new ATOM 0 HG2 LYS B 86 9.061 0.152 -4.464 1.00 61.23 H new ATOM 0 HG3 LYS B 86 10.462 1.196 -4.590 1.00 61.23 H new ATOM 0 HD2 LYS B 86 9.742 -1.014 -6.572 1.00 65.42 H new ATOM 0 HD3 LYS B 86 9.428 0.694 -6.813 1.00 65.42 H new ATOM 0 HE2 LYS B 86 11.900 1.137 -6.672 1.00 61.41 H new ATOM 0 HE3 LYS B 86 12.178 -0.586 -6.520 1.00 61.41 H new ATOM 0 HZ1 LYS B 86 12.442 0.145 -8.798 1.00 3.22 H new ATOM 0 HZ2 LYS B 86 11.125 -0.920 -8.680 1.00 3.22 H new ATOM 0 HZ3 LYS B 86 10.856 0.750 -8.828 1.00 3.22 H new ATOM 1505 N GLU B 87 10.550 1.650 -2.039 1.00 60.42 N ATOM 1506 CA GLU B 87 10.949 3.016 -1.655 1.00 3.24 C ATOM 1507 C GLU B 87 10.809 3.268 -0.150 1.00 54.23 C ATOM 1508 O GLU B 87 11.034 4.392 0.300 1.00 5.31 O ATOM 1509 CB GLU B 87 10.184 4.074 -2.486 1.00 63.22 C ATOM 1510 CG GLU B 87 10.604 4.094 -3.972 1.00 3.15 C ATOM 1511 CD GLU B 87 9.992 5.251 -4.771 1.00 11.01 C ATOM 1512 OE1 GLU B 87 10.406 6.415 -4.559 1.00 40.33 O ATOM 1513 OE2 GLU B 87 9.125 5.001 -5.629 1.00 23.43 O ATOM 0 H GLU B 87 9.577 1.575 -2.336 1.00 60.42 H new ATOM 0 HA GLU B 87 12.010 3.113 -1.884 1.00 3.24 H new ATOM 0 HB2 GLU B 87 9.114 3.876 -2.419 1.00 63.22 H new ATOM 0 HB3 GLU B 87 10.353 5.060 -2.053 1.00 63.22 H new ATOM 0 HG2 GLU B 87 11.690 4.157 -4.032 1.00 3.15 H new ATOM 0 HG3 GLU B 87 10.314 3.151 -4.435 1.00 3.15 H new ATOM 1520 N ILE B 88 10.493 2.220 0.621 1.00 35.13 N ATOM 1521 CA ILE B 88 10.546 2.264 2.089 1.00 22.41 C ATOM 1522 C ILE B 88 12.007 2.442 2.572 1.00 24.43 C ATOM 1523 O ILE B 88 12.248 3.134 3.554 1.00 20.32 O ATOM 1524 CB ILE B 88 9.909 0.961 2.704 1.00 3.01 C ATOM 1525 CG1 ILE B 88 8.396 0.882 2.336 1.00 72.43 C ATOM 1526 CG2 ILE B 88 10.109 0.885 4.235 1.00 64.01 C ATOM 1527 CD1 ILE B 88 7.698 -0.373 2.810 1.00 71.11 C ATOM 0 H ILE B 88 10.194 1.320 0.247 1.00 35.13 H new ATOM 0 HA ILE B 88 9.966 3.121 2.432 1.00 22.41 H new ATOM 0 HB ILE B 88 10.425 0.102 2.274 1.00 3.01 H new ATOM 0 HG12 ILE B 88 7.887 1.747 2.760 1.00 72.43 H new ATOM 0 HG13 ILE B 88 8.295 0.951 1.253 1.00 72.43 H new ATOM 0 HG21 ILE B 88 9.654 -0.029 4.616 1.00 64.01 H new ATOM 0 HG22 ILE B 88 11.175 0.882 4.463 1.00 64.01 H new ATOM 0 HG23 ILE B 88 9.639 1.748 4.707 1.00 64.01 H new ATOM 0 HD11 ILE B 88 6.651 -0.342 2.510 1.00 71.11 H new ATOM 0 HD12 ILE B 88 8.177 -1.246 2.366 1.00 71.11 H new ATOM 0 HD13 ILE B 88 7.763 -0.437 3.896 1.00 71.11 H new ATOM 1539 N ARG B 89 12.973 1.820 1.856 1.00 13.03 N ATOM 1540 CA ARG B 89 14.403 1.880 2.235 1.00 1.25 C ATOM 1541 C ARG B 89 15.004 3.314 2.076 1.00 2.45 C ATOM 1542 O ARG B 89 15.586 3.822 3.036 1.00 64.54 O ATOM 1543 CB ARG B 89 15.249 0.816 1.479 1.00 32.12 C ATOM 1544 CG ARG B 89 16.741 0.785 1.903 1.00 2.35 C ATOM 1545 CD ARG B 89 17.579 -0.196 1.065 1.00 63.34 C ATOM 1546 NE ARG B 89 18.986 -0.250 1.504 1.00 63.04 N ATOM 1547 CZ ARG B 89 19.863 -1.220 1.166 1.00 72.05 C ATOM 1548 NH1 ARG B 89 19.494 -2.241 0.385 1.00 51.05 N ATOM 1549 NH2 ARG B 89 21.110 -1.164 1.619 1.00 51.53 N ATOM 0 H ARG B 89 12.788 1.273 1.015 1.00 13.03 H new ATOM 0 HA ARG B 89 14.450 1.637 3.297 1.00 1.25 H new ATOM 0 HB2 ARG B 89 14.813 -0.168 1.648 1.00 32.12 H new ATOM 0 HB3 ARG B 89 15.189 1.012 0.408 1.00 32.12 H new ATOM 0 HG2 ARG B 89 17.161 1.786 1.810 1.00 2.35 H new ATOM 0 HG3 ARG B 89 16.809 0.507 2.955 1.00 2.35 H new ATOM 0 HD2 ARG B 89 17.142 -1.192 1.132 1.00 63.34 H new ATOM 0 HD3 ARG B 89 17.539 0.100 0.017 1.00 63.34 H new ATOM 0 HE ARG B 89 19.322 0.501 2.107 1.00 63.04 H new ATOM 0 HH11 ARG B 89 18.538 -2.296 0.035 1.00 51.05 H new ATOM 0 HH12 ARG B 89 20.169 -2.965 0.139 1.00 51.05 H new ATOM 0 HH21 ARG B 89 21.401 -0.392 2.219 1.00 51.53 H new ATOM 0 HH22 ARG B 89 21.777 -1.893 1.367 1.00 51.53 H new ATOM 1563 N PRO B 90 14.902 4.007 0.879 1.00 52.12 N ATOM 1564 CA PRO B 90 15.376 5.405 0.756 1.00 53.05 C ATOM 1565 C PRO B 90 14.600 6.387 1.669 1.00 22.45 C ATOM 1566 O PRO B 90 15.209 7.309 2.211 1.00 42.21 O ATOM 1567 CB PRO B 90 15.204 5.735 -0.745 1.00 25.00 C ATOM 1568 CG PRO B 90 14.206 4.735 -1.246 1.00 1.14 C ATOM 1569 CD PRO B 90 14.415 3.492 -0.425 1.00 34.24 C ATOM 0 HA PRO B 90 16.409 5.512 1.087 1.00 53.05 H new ATOM 0 HB2 PRO B 90 14.847 6.755 -0.887 1.00 25.00 H new ATOM 0 HB3 PRO B 90 16.150 5.651 -1.279 1.00 25.00 H new ATOM 0 HG2 PRO B 90 13.189 5.110 -1.134 1.00 1.14 H new ATOM 0 HG3 PRO B 90 14.356 4.532 -2.306 1.00 1.14 H new ATOM 0 HD2 PRO B 90 13.490 2.927 -0.312 1.00 34.24 H new ATOM 0 HD3 PRO B 90 15.142 2.824 -0.888 1.00 34.24 H new ATOM 1577 N THR B 91 13.276 6.163 1.868 1.00 74.42 N ATOM 1578 CA THR B 91 12.474 6.917 2.865 1.00 51.24 C ATOM 1579 C THR B 91 13.099 6.787 4.275 1.00 33.41 C ATOM 1580 O THR B 91 13.320 7.777 4.974 1.00 14.13 O ATOM 1581 CB THR B 91 10.999 6.400 2.906 1.00 24.42 C ATOM 1582 OG1 THR B 91 10.352 6.691 1.658 1.00 1.24 O ATOM 1583 CG2 THR B 91 10.179 7.013 4.063 1.00 74.30 C ATOM 0 H THR B 91 12.741 5.466 1.350 1.00 74.42 H new ATOM 0 HA THR B 91 12.474 7.964 2.563 1.00 51.24 H new ATOM 0 HB THR B 91 11.043 5.324 3.076 1.00 24.42 H new ATOM 0 HG1 THR B 91 10.499 5.951 1.033 1.00 1.24 H new ATOM 0 HG21 THR B 91 9.164 6.616 4.040 1.00 74.30 H new ATOM 0 HG22 THR B 91 10.646 6.759 5.015 1.00 74.30 H new ATOM 0 HG23 THR B 91 10.148 8.097 3.952 1.00 74.30 H new ATOM 1591 N TYR B 92 13.407 5.538 4.632 1.00 63.02 N ATOM 1592 CA TYR B 92 14.080 5.171 5.881 1.00 32.02 C ATOM 1593 C TYR B 92 15.462 5.844 5.995 1.00 3.43 C ATOM 1594 O TYR B 92 15.904 6.174 7.091 1.00 54.04 O ATOM 1595 CB TYR B 92 14.208 3.625 5.942 1.00 24.34 C ATOM 1596 CG TYR B 92 14.989 3.091 7.140 1.00 35.11 C ATOM 1597 CD1 TYR B 92 14.517 3.278 8.434 1.00 72.12 C ATOM 1598 CD2 TYR B 92 16.203 2.423 6.984 1.00 73.40 C ATOM 1599 CE1 TYR B 92 15.217 2.825 9.510 1.00 3.25 C ATOM 1600 CE2 TYR B 92 16.916 1.964 8.073 1.00 74.30 C ATOM 1601 CZ TYR B 92 16.414 2.170 9.340 1.00 52.34 C ATOM 1602 OH TYR B 92 17.111 1.720 10.436 1.00 51.22 O ATOM 0 H TYR B 92 13.190 4.733 4.045 1.00 63.02 H new ATOM 0 HA TYR B 92 13.487 5.523 6.725 1.00 32.02 H new ATOM 0 HB2 TYR B 92 13.208 3.193 5.957 1.00 24.34 H new ATOM 0 HB3 TYR B 92 14.691 3.279 5.028 1.00 24.34 H new ATOM 0 HD1 TYR B 92 13.579 3.791 8.588 1.00 72.12 H new ATOM 0 HD2 TYR B 92 16.594 2.261 5.990 1.00 73.40 H new ATOM 0 HE1 TYR B 92 14.829 2.981 10.506 1.00 3.25 H new ATOM 0 HE2 TYR B 92 17.856 1.450 7.934 1.00 74.30 H new ATOM 0 HH TYR B 92 17.935 1.278 10.141 1.00 51.22 H new ATOM 1612 N ALA B 93 16.117 6.060 4.841 1.00 0.15 N ATOM 1613 CA ALA B 93 17.459 6.677 4.756 1.00 20.52 C ATOM 1614 C ALA B 93 17.396 8.218 4.885 1.00 13.33 C ATOM 1615 O ALA B 93 18.444 8.878 4.915 1.00 10.41 O ATOM 1616 CB ALA B 93 18.128 6.269 3.433 1.00 61.42 C ATOM 0 H ALA B 93 15.729 5.810 3.931 1.00 0.15 H new ATOM 0 HA ALA B 93 18.055 6.313 5.593 1.00 20.52 H new ATOM 0 HB1 ALA B 93 19.117 6.723 3.370 1.00 61.42 H new ATOM 0 HB2 ALA B 93 18.224 5.184 3.393 1.00 61.42 H new ATOM 0 HB3 ALA B 93 17.518 6.610 2.597 1.00 61.42 H new ATOM 1622 N GLY B 94 16.172 8.773 4.979 1.00 43.42 N ATOM 1623 CA GLY B 94 15.960 10.217 5.113 1.00 22.34 C ATOM 1624 C GLY B 94 15.598 10.909 3.809 1.00 70.02 C ATOM 1625 O GLY B 94 15.406 12.127 3.803 1.00 34.23 O ATOM 0 H GLY B 94 15.309 8.230 4.964 1.00 43.42 H new ATOM 0 HA2 GLY B 94 15.166 10.392 5.839 1.00 22.34 H new ATOM 0 HA3 GLY B 94 16.865 10.672 5.515 1.00 22.34 H new ATOM 1629 N SER B 95 15.527 10.150 2.690 1.00 23.13 N ATOM 1630 CA SER B 95 15.160 10.714 1.376 1.00 14.31 C ATOM 1631 C SER B 95 13.699 11.206 1.361 1.00 11.11 C ATOM 1632 O SER B 95 12.759 10.395 1.262 1.00 3.01 O ATOM 1633 CB SER B 95 15.381 9.692 0.240 1.00 2.01 C ATOM 1634 OG SER B 95 16.712 9.219 0.227 1.00 54.22 O ATOM 0 H SER B 95 15.719 9.148 2.674 1.00 23.13 H new ATOM 0 HA SER B 95 15.815 11.568 1.206 1.00 14.31 H new ATOM 0 HB2 SER B 95 14.696 8.853 0.364 1.00 2.01 H new ATOM 0 HB3 SER B 95 15.148 10.155 -0.719 1.00 2.01 H new ATOM 0 HG SER B 95 16.822 8.572 -0.501 1.00 54.22 H new ATOM 1640 N LYS B 96 13.535 12.536 1.486 1.00 61.13 N ATOM 1641 CA LYS B 96 12.228 13.212 1.417 1.00 35.33 C ATOM 1642 C LYS B 96 11.526 12.995 0.071 1.00 20.01 C ATOM 1643 O LYS B 96 10.303 13.003 0.018 1.00 74.30 O ATOM 1644 CB LYS B 96 12.407 14.723 1.709 1.00 62.43 C ATOM 1645 CG LYS B 96 13.345 15.468 0.730 1.00 35.33 C ATOM 1646 CD LYS B 96 13.573 16.954 1.110 1.00 4.14 C ATOM 1647 CE LYS B 96 12.265 17.763 1.199 1.00 75.54 C ATOM 1648 NZ LYS B 96 11.492 17.741 -0.074 1.00 22.10 N ATOM 0 H LYS B 96 14.314 13.177 1.639 1.00 61.13 H new ATOM 0 HA LYS B 96 11.584 12.769 2.176 1.00 35.33 H new ATOM 0 HB2 LYS B 96 11.428 15.201 1.686 1.00 62.43 H new ATOM 0 HB3 LYS B 96 12.795 14.839 2.721 1.00 62.43 H new ATOM 0 HG2 LYS B 96 14.307 14.956 0.699 1.00 35.33 H new ATOM 0 HG3 LYS B 96 12.925 15.417 -0.274 1.00 35.33 H new ATOM 0 HD2 LYS B 96 14.089 17.002 2.069 1.00 4.14 H new ATOM 0 HD3 LYS B 96 14.229 17.415 0.371 1.00 4.14 H new ATOM 0 HE2 LYS B 96 11.647 17.361 2.002 1.00 75.54 H new ATOM 0 HE3 LYS B 96 12.497 18.795 1.461 1.00 75.54 H new ATOM 0 HZ1 LYS B 96 10.639 18.327 0.028 1.00 22.10 H new ATOM 0 HZ2 LYS B 96 12.081 18.117 -0.844 1.00 22.10 H new ATOM 0 HZ3 LYS B 96 11.216 16.763 -0.296 1.00 22.10 H new ATOM 1662 N SER B 97 12.315 12.802 -1.003 1.00 40.33 N ATOM 1663 CA SER B 97 11.777 12.527 -2.352 1.00 60.43 C ATOM 1664 C SER B 97 11.052 11.162 -2.387 1.00 61.13 C ATOM 1665 O SER B 97 9.910 11.065 -2.865 1.00 74.41 O ATOM 1666 CB SER B 97 12.910 12.563 -3.393 1.00 3.33 C ATOM 1667 OG SER B 97 13.602 13.806 -3.344 1.00 12.54 O ATOM 0 H SER B 97 13.334 12.832 -0.963 1.00 40.33 H new ATOM 0 HA SER B 97 11.051 13.302 -2.598 1.00 60.43 H new ATOM 0 HB2 SER B 97 13.607 11.746 -3.207 1.00 3.33 H new ATOM 0 HB3 SER B 97 12.498 12.410 -4.391 1.00 3.33 H new ATOM 0 HG SER B 97 14.319 13.808 -4.012 1.00 12.54 H new ATOM 1673 N ALA B 98 11.733 10.122 -1.853 1.00 50.00 N ATOM 1674 CA ALA B 98 11.189 8.753 -1.770 1.00 54.12 C ATOM 1675 C ALA B 98 9.974 8.701 -0.854 1.00 2.15 C ATOM 1676 O ALA B 98 9.012 7.993 -1.139 1.00 51.25 O ATOM 1677 CB ALA B 98 12.250 7.785 -1.264 1.00 3.24 C ATOM 0 H ALA B 98 12.674 10.211 -1.469 1.00 50.00 H new ATOM 0 HA ALA B 98 10.883 8.458 -2.774 1.00 54.12 H new ATOM 0 HB1 ALA B 98 11.830 6.781 -1.210 1.00 3.24 H new ATOM 0 HB2 ALA B 98 13.099 7.787 -1.947 1.00 3.24 H new ATOM 0 HB3 ALA B 98 12.581 8.094 -0.273 1.00 3.24 H new ATOM 1683 N MET B 99 10.049 9.461 0.256 1.00 50.04 N ATOM 1684 CA MET B 99 8.964 9.586 1.239 1.00 12.05 C ATOM 1685 C MET B 99 7.756 10.297 0.632 1.00 31.24 C ATOM 1686 O MET B 99 6.618 9.943 0.922 1.00 4.33 O ATOM 1687 CB MET B 99 9.497 10.328 2.495 1.00 45.24 C ATOM 1688 CG MET B 99 8.456 10.643 3.597 1.00 63.12 C ATOM 1689 SD MET B 99 7.464 12.107 3.232 1.00 44.34 S ATOM 1690 CE MET B 99 8.723 13.378 3.147 1.00 51.52 C ATOM 0 H MET B 99 10.875 10.010 0.494 1.00 50.04 H new ATOM 0 HA MET B 99 8.628 8.593 1.537 1.00 12.05 H new ATOM 0 HB2 MET B 99 10.292 9.727 2.936 1.00 45.24 H new ATOM 0 HB3 MET B 99 9.949 11.266 2.173 1.00 45.24 H new ATOM 0 HG2 MET B 99 7.795 9.785 3.721 1.00 63.12 H new ATOM 0 HG3 MET B 99 8.972 10.788 4.546 1.00 63.12 H new ATOM 0 HE1 MET B 99 8.383 14.264 3.683 1.00 51.52 H new ATOM 0 HE2 MET B 99 9.643 13.010 3.601 1.00 51.52 H new ATOM 0 HE3 MET B 99 8.911 13.635 2.105 1.00 51.52 H new ATOM 1700 N GLU B 100 8.021 11.273 -0.240 1.00 23.24 N ATOM 1701 CA GLU B 100 6.968 12.029 -0.933 1.00 53.40 C ATOM 1702 C GLU B 100 6.218 11.121 -1.936 1.00 61.15 C ATOM 1703 O GLU B 100 5.034 11.327 -2.215 1.00 44.15 O ATOM 1704 CB GLU B 100 7.586 13.261 -1.644 1.00 30.02 C ATOM 1705 CG GLU B 100 6.578 14.362 -2.034 1.00 15.33 C ATOM 1706 CD GLU B 100 6.006 15.118 -0.822 1.00 32.21 C ATOM 1707 OE1 GLU B 100 6.649 16.082 -0.352 1.00 61.15 O ATOM 1708 OE2 GLU B 100 4.915 14.756 -0.345 1.00 1.12 O ATOM 0 H GLU B 100 8.967 11.563 -0.487 1.00 23.24 H new ATOM 0 HA GLU B 100 6.242 12.383 -0.201 1.00 53.40 H new ATOM 0 HB2 GLU B 100 8.343 13.697 -0.991 1.00 30.02 H new ATOM 0 HB3 GLU B 100 8.098 12.923 -2.545 1.00 30.02 H new ATOM 0 HG2 GLU B 100 7.067 15.073 -2.700 1.00 15.33 H new ATOM 0 HG3 GLU B 100 5.758 13.913 -2.594 1.00 15.33 H new ATOM 1715 N ARG B 101 6.930 10.110 -2.461 1.00 33.33 N ATOM 1716 CA ARG B 101 6.350 9.117 -3.378 1.00 41.23 C ATOM 1717 C ARG B 101 5.654 8.010 -2.569 1.00 4.02 C ATOM 1718 O ARG B 101 4.635 7.474 -3.003 1.00 14.02 O ATOM 1719 CB ARG B 101 7.462 8.541 -4.313 1.00 13.14 C ATOM 1720 CG ARG B 101 6.963 7.992 -5.685 1.00 71.02 C ATOM 1721 CD ARG B 101 6.223 6.638 -5.612 1.00 4.44 C ATOM 1722 NE ARG B 101 5.644 6.257 -6.918 1.00 52.41 N ATOM 1723 CZ ARG B 101 5.998 5.190 -7.643 1.00 12.44 C ATOM 1724 NH1 ARG B 101 6.949 4.366 -7.240 1.00 14.31 N ATOM 1725 NH2 ARG B 101 5.380 4.939 -8.783 1.00 73.23 N ATOM 0 H ARG B 101 7.919 9.959 -2.262 1.00 33.33 H new ATOM 0 HA ARG B 101 5.600 9.592 -4.011 1.00 41.23 H new ATOM 0 HB2 ARG B 101 8.198 9.323 -4.500 1.00 13.14 H new ATOM 0 HB3 ARG B 101 7.977 7.738 -3.785 1.00 13.14 H new ATOM 0 HG2 ARG B 101 6.298 8.729 -6.135 1.00 71.02 H new ATOM 0 HG3 ARG B 101 7.819 7.886 -6.351 1.00 71.02 H new ATOM 0 HD2 ARG B 101 6.915 5.863 -5.281 1.00 4.44 H new ATOM 0 HD3 ARG B 101 5.430 6.697 -4.866 1.00 4.44 H new ATOM 0 HE ARG B 101 4.913 6.858 -7.298 1.00 52.41 H new ATOM 0 HH11 ARG B 101 7.432 4.537 -6.358 1.00 14.31 H new ATOM 0 HH12 ARG B 101 7.201 3.559 -7.811 1.00 14.31 H new ATOM 0 HH21 ARG B 101 4.636 5.558 -9.107 1.00 73.23 H new ATOM 0 HH22 ARG B 101 5.646 4.127 -9.339 1.00 73.23 H new ATOM 1739 N LEU B 102 6.219 7.689 -1.396 1.00 71.33 N ATOM 1740 CA LEU B 102 5.719 6.623 -0.522 1.00 65.01 C ATOM 1741 C LEU B 102 4.325 7.009 0.017 1.00 1.44 C ATOM 1742 O LEU B 102 3.383 6.211 -0.052 1.00 42.22 O ATOM 1743 CB LEU B 102 6.733 6.357 0.638 1.00 31.13 C ATOM 1744 CG LEU B 102 6.429 5.131 1.556 1.00 72.13 C ATOM 1745 CD1 LEU B 102 6.333 3.831 0.749 1.00 12.53 C ATOM 1746 CD2 LEU B 102 7.475 4.999 2.681 1.00 62.24 C ATOM 0 H LEU B 102 7.041 8.166 -1.027 1.00 71.33 H new ATOM 0 HA LEU B 102 5.620 5.698 -1.090 1.00 65.01 H new ATOM 0 HB2 LEU B 102 7.723 6.221 0.202 1.00 31.13 H new ATOM 0 HB3 LEU B 102 6.780 7.249 1.263 1.00 31.13 H new ATOM 0 HG LEU B 102 5.457 5.309 2.017 1.00 72.13 H new ATOM 0 HD11 LEU B 102 6.121 3.000 1.422 1.00 12.53 H new ATOM 0 HD12 LEU B 102 5.532 3.917 0.014 1.00 12.53 H new ATOM 0 HD13 LEU B 102 7.278 3.650 0.236 1.00 12.53 H new ATOM 0 HD21 LEU B 102 7.235 4.136 3.302 1.00 62.24 H new ATOM 0 HD22 LEU B 102 8.465 4.867 2.244 1.00 62.24 H new ATOM 0 HD23 LEU B 102 7.466 5.901 3.294 1.00 62.24 H new ATOM 1758 N LYS B 103 4.216 8.266 0.513 1.00 23.40 N ATOM 1759 CA LYS B 103 2.947 8.853 0.981 1.00 12.21 C ATOM 1760 C LYS B 103 1.920 8.923 -0.152 1.00 74.24 C ATOM 1761 O LYS B 103 0.810 8.412 -0.001 1.00 24.42 O ATOM 1762 CB LYS B 103 3.172 10.268 1.595 1.00 51.34 C ATOM 1763 CG LYS B 103 4.094 10.280 2.841 1.00 62.33 C ATOM 1764 CD LYS B 103 4.211 11.674 3.499 1.00 55.14 C ATOM 1765 CE LYS B 103 2.899 12.141 4.148 1.00 44.43 C ATOM 1766 NZ LYS B 103 2.505 11.253 5.273 1.00 73.15 N ATOM 0 H LYS B 103 5.011 8.899 0.598 1.00 23.40 H new ATOM 0 HA LYS B 103 2.554 8.200 1.761 1.00 12.21 H new ATOM 0 HB2 LYS B 103 3.601 10.919 0.833 1.00 51.34 H new ATOM 0 HB3 LYS B 103 2.205 10.691 1.868 1.00 51.34 H new ATOM 0 HG2 LYS B 103 3.712 9.570 3.575 1.00 62.33 H new ATOM 0 HG3 LYS B 103 5.088 9.937 2.553 1.00 62.33 H new ATOM 0 HD2 LYS B 103 4.996 11.648 4.255 1.00 55.14 H new ATOM 0 HD3 LYS B 103 4.517 12.401 2.747 1.00 55.14 H new ATOM 0 HE2 LYS B 103 3.014 13.162 4.512 1.00 44.43 H new ATOM 0 HE3 LYS B 103 2.106 12.157 3.400 1.00 44.43 H new ATOM 0 HZ1 LYS B 103 1.727 11.692 5.806 1.00 73.15 H new ATOM 0 HZ2 LYS B 103 2.192 10.335 4.898 1.00 73.15 H new ATOM 0 HZ3 LYS B 103 3.319 11.110 5.904 1.00 73.15 H new ATOM 1780 N ARG B 104 2.313 9.515 -1.305 1.00 64.34 N ATOM 1781 CA ARG B 104 1.421 9.608 -2.483 1.00 24.01 C ATOM 1782 C ARG B 104 0.987 8.209 -2.960 1.00 74.43 C ATOM 1783 O ARG B 104 -0.118 8.042 -3.491 1.00 43.53 O ATOM 1784 CB ARG B 104 2.098 10.378 -3.644 1.00 1.44 C ATOM 1785 CG ARG B 104 1.179 10.574 -4.870 1.00 55.45 C ATOM 1786 CD ARG B 104 1.775 11.481 -5.955 1.00 52.30 C ATOM 1787 NE ARG B 104 0.870 11.618 -7.108 1.00 31.43 N ATOM 1788 CZ ARG B 104 1.076 12.438 -8.162 1.00 71.02 C ATOM 1789 NH1 ARG B 104 2.160 13.204 -8.210 1.00 51.24 N ATOM 1790 NH2 ARG B 104 0.194 12.459 -9.154 1.00 44.32 N ATOM 0 H ARG B 104 3.234 9.932 -1.443 1.00 64.34 H new ATOM 0 HA ARG B 104 0.535 10.162 -2.175 1.00 24.01 H new ATOM 0 HB2 ARG B 104 2.422 11.354 -3.282 1.00 1.44 H new ATOM 0 HB3 ARG B 104 2.994 9.840 -3.953 1.00 1.44 H new ATOM 0 HG2 ARG B 104 0.958 9.600 -5.306 1.00 55.45 H new ATOM 0 HG3 ARG B 104 0.231 10.997 -4.537 1.00 55.45 H new ATOM 0 HD2 ARG B 104 1.980 12.465 -5.534 1.00 52.30 H new ATOM 0 HD3 ARG B 104 2.729 11.072 -6.288 1.00 52.30 H new ATOM 0 HE ARG B 104 0.023 11.050 -7.111 1.00 31.43 H new ATOM 0 HH11 ARG B 104 2.840 13.174 -7.450 1.00 51.24 H new ATOM 0 HH12 ARG B 104 2.313 13.822 -9.007 1.00 51.24 H new ATOM 0 HH21 ARG B 104 -0.630 11.860 -9.116 1.00 44.32 H new ATOM 0 HH22 ARG B 104 0.341 13.075 -9.954 1.00 44.32 H new ATOM 1804 N GLY B 105 1.867 7.220 -2.714 1.00 65.43 N ATOM 1805 CA GLY B 105 1.569 5.822 -2.964 1.00 73.43 C ATOM 1806 C GLY B 105 0.355 5.361 -2.192 1.00 64.51 C ATOM 1807 O GLY B 105 -0.531 4.753 -2.765 1.00 22.01 O ATOM 0 H GLY B 105 2.801 7.382 -2.337 1.00 65.43 H new ATOM 0 HA2 GLY B 105 1.401 5.671 -4.030 1.00 73.43 H new ATOM 0 HA3 GLY B 105 2.429 5.212 -2.688 1.00 73.43 H new ATOM 1811 N ILE B 106 0.295 5.712 -0.891 1.00 65.01 N ATOM 1812 CA ILE B 106 -0.851 5.377 -0.025 1.00 53.10 C ATOM 1813 C ILE B 106 -2.126 6.154 -0.441 1.00 24.21 C ATOM 1814 O ILE B 106 -3.199 5.559 -0.472 1.00 44.53 O ATOM 1815 CB ILE B 106 -0.513 5.585 1.513 1.00 53.32 C ATOM 1816 CG1 ILE B 106 0.256 4.339 2.103 1.00 34.21 C ATOM 1817 CG2 ILE B 106 -1.779 5.894 2.373 1.00 3.20 C ATOM 1818 CD1 ILE B 106 1.663 4.106 1.589 1.00 71.22 C ATOM 0 H ILE B 106 1.033 6.231 -0.416 1.00 65.01 H new ATOM 0 HA ILE B 106 -1.057 4.316 -0.164 1.00 53.10 H new ATOM 0 HB ILE B 106 0.136 6.459 1.566 1.00 53.32 H new ATOM 0 HG12 ILE B 106 0.303 4.449 3.186 1.00 34.21 H new ATOM 0 HG13 ILE B 106 -0.334 3.446 1.898 1.00 34.21 H new ATOM 0 HG21 ILE B 106 -1.488 6.027 3.415 1.00 3.20 H new ATOM 0 HG22 ILE B 106 -2.252 6.806 2.010 1.00 3.20 H new ATOM 0 HG23 ILE B 106 -2.483 5.065 2.296 1.00 3.20 H new ATOM 0 HD11 ILE B 106 2.084 3.222 2.069 1.00 71.22 H new ATOM 0 HD12 ILE B 106 1.636 3.955 0.510 1.00 71.22 H new ATOM 0 HD13 ILE B 106 2.282 4.973 1.818 1.00 71.22 H new ATOM 1830 N ILE B 107 -2.014 7.466 -0.762 1.00 24.21 N ATOM 1831 CA ILE B 107 -3.181 8.267 -1.219 1.00 64.44 C ATOM 1832 C ILE B 107 -3.793 7.608 -2.479 1.00 0.25 C ATOM 1833 O ILE B 107 -4.998 7.322 -2.532 1.00 42.22 O ATOM 1834 CB ILE B 107 -2.814 9.782 -1.513 1.00 64.15 C ATOM 1835 CG1 ILE B 107 -2.660 10.615 -0.188 1.00 0.22 C ATOM 1836 CG2 ILE B 107 -3.869 10.458 -2.441 1.00 72.51 C ATOM 1837 CD1 ILE B 107 -1.515 10.221 0.726 1.00 4.50 C ATOM 0 H ILE B 107 -1.140 7.989 -0.715 1.00 24.21 H new ATOM 0 HA ILE B 107 -3.909 8.278 -0.408 1.00 64.44 H new ATOM 0 HB ILE B 107 -1.853 9.772 -2.027 1.00 64.15 H new ATOM 0 HG12 ILE B 107 -2.538 11.664 -0.456 1.00 0.22 H new ATOM 0 HG13 ILE B 107 -3.590 10.536 0.375 1.00 0.22 H new ATOM 0 HG21 ILE B 107 -3.585 11.495 -2.620 1.00 72.51 H new ATOM 0 HG22 ILE B 107 -3.913 9.924 -3.390 1.00 72.51 H new ATOM 0 HG23 ILE B 107 -4.848 10.428 -1.962 1.00 72.51 H new ATOM 0 HD11 ILE B 107 -1.512 10.866 1.605 1.00 4.50 H new ATOM 0 HD12 ILE B 107 -1.639 9.184 1.038 1.00 4.50 H new ATOM 0 HD13 ILE B 107 -0.570 10.330 0.193 1.00 4.50 H new ATOM 1849 N HIS B 108 -2.917 7.316 -3.446 1.00 72.34 N ATOM 1850 CA HIS B 108 -3.302 6.746 -4.738 1.00 62.10 C ATOM 1851 C HIS B 108 -3.886 5.340 -4.541 1.00 42.41 C ATOM 1852 O HIS B 108 -4.958 5.042 -5.052 1.00 74.23 O ATOM 1853 CB HIS B 108 -2.083 6.708 -5.692 1.00 62.15 C ATOM 1854 CG HIS B 108 -2.391 6.246 -7.095 1.00 15.32 C ATOM 1855 ND1 HIS B 108 -1.522 5.487 -7.843 1.00 4.31 N ATOM 1856 CD2 HIS B 108 -3.473 6.451 -7.882 1.00 72.24 C ATOM 1857 CE1 HIS B 108 -2.055 5.256 -9.024 1.00 70.44 C ATOM 1858 NE2 HIS B 108 -3.236 5.824 -9.069 1.00 4.02 N ATOM 0 H HIS B 108 -1.913 7.470 -3.352 1.00 72.34 H new ATOM 0 HA HIS B 108 -4.068 7.376 -5.190 1.00 62.10 H new ATOM 0 HB2 HIS B 108 -1.646 7.706 -5.741 1.00 62.15 H new ATOM 0 HB3 HIS B 108 -1.326 6.049 -5.266 1.00 62.15 H new ATOM 0 HD2 HIS B 108 -4.360 7.008 -7.618 1.00 72.24 H new ATOM 0 HE1 HIS B 108 -1.596 4.693 -9.823 1.00 70.44 H new ATOM 0 HE2 HIS B 108 -3.874 5.800 -9.864 1.00 4.02 H new ATOM 1867 N ALA B 109 -3.194 4.528 -3.732 1.00 54.31 N ATOM 1868 CA ALA B 109 -3.571 3.128 -3.460 1.00 3.03 C ATOM 1869 C ALA B 109 -4.929 3.034 -2.759 1.00 2.50 C ATOM 1870 O ALA B 109 -5.742 2.167 -3.081 1.00 5.21 O ATOM 1871 CB ALA B 109 -2.496 2.446 -2.604 1.00 30.20 C ATOM 0 H ALA B 109 -2.349 4.823 -3.242 1.00 54.31 H new ATOM 0 HA ALA B 109 -3.651 2.617 -4.419 1.00 3.03 H new ATOM 0 HB1 ALA B 109 -2.786 1.413 -2.410 1.00 30.20 H new ATOM 0 HB2 ALA B 109 -1.544 2.462 -3.135 1.00 30.20 H new ATOM 0 HB3 ALA B 109 -2.393 2.977 -1.658 1.00 30.20 H new ATOM 1877 N ARG B 110 -5.167 3.962 -1.820 1.00 34.41 N ATOM 1878 CA ARG B 110 -6.409 4.017 -1.034 1.00 25.41 C ATOM 1879 C ARG B 110 -7.583 4.382 -1.943 1.00 63.20 C ATOM 1880 O ARG B 110 -8.692 3.893 -1.757 1.00 74.33 O ATOM 1881 CB ARG B 110 -6.263 5.045 0.121 1.00 23.35 C ATOM 1882 CG ARG B 110 -7.373 4.978 1.183 1.00 64.31 C ATOM 1883 CD ARG B 110 -7.131 5.923 2.367 1.00 35.04 C ATOM 1884 NE ARG B 110 -8.164 5.756 3.391 1.00 31.31 N ATOM 1885 CZ ARG B 110 -8.288 6.503 4.495 1.00 2.50 C ATOM 1886 NH1 ARG B 110 -7.442 7.512 4.746 1.00 11.01 N ATOM 1887 NH2 ARG B 110 -9.266 6.221 5.352 1.00 31.23 N ATOM 0 H ARG B 110 -4.501 4.698 -1.584 1.00 34.41 H new ATOM 0 HA ARG B 110 -6.603 3.037 -0.597 1.00 25.41 H new ATOM 0 HB2 ARG B 110 -5.301 4.888 0.609 1.00 23.35 H new ATOM 0 HB3 ARG B 110 -6.245 6.049 -0.304 1.00 23.35 H new ATOM 0 HG2 ARG B 110 -8.328 5.225 0.718 1.00 64.31 H new ATOM 0 HG3 ARG B 110 -7.453 3.956 1.552 1.00 64.31 H new ATOM 0 HD2 ARG B 110 -6.150 5.726 2.799 1.00 35.04 H new ATOM 0 HD3 ARG B 110 -7.124 6.955 2.017 1.00 35.04 H new ATOM 0 HE ARG B 110 -8.845 5.009 3.252 1.00 31.31 H new ATOM 0 HH11 ARG B 110 -6.689 7.721 4.091 1.00 11.01 H new ATOM 0 HH12 ARG B 110 -7.551 8.071 5.592 1.00 11.01 H new ATOM 0 HH21 ARG B 110 -9.904 5.448 5.162 1.00 31.23 H new ATOM 0 HH22 ARG B 110 -9.378 6.778 6.199 1.00 31.23 H new ATOM 1901 N ALA B 111 -7.295 5.223 -2.953 1.00 63.54 N ATOM 1902 CA ALA B 111 -8.270 5.626 -3.974 1.00 11.34 C ATOM 1903 C ALA B 111 -8.586 4.453 -4.919 1.00 63.44 C ATOM 1904 O ALA B 111 -9.733 4.257 -5.288 1.00 43.12 O ATOM 1905 CB ALA B 111 -7.743 6.832 -4.758 1.00 3.23 C ATOM 0 H ALA B 111 -6.374 5.642 -3.081 1.00 63.54 H new ATOM 0 HA ALA B 111 -9.197 5.914 -3.477 1.00 11.34 H new ATOM 0 HB1 ALA B 111 -8.474 7.123 -5.513 1.00 3.23 H new ATOM 0 HB2 ALA B 111 -7.575 7.665 -4.075 1.00 3.23 H new ATOM 0 HB3 ALA B 111 -6.804 6.568 -5.245 1.00 3.23 H new ATOM 1911 N LEU B 112 -7.557 3.653 -5.268 1.00 43.34 N ATOM 1912 CA LEU B 112 -7.712 2.494 -6.184 1.00 32.21 C ATOM 1913 C LEU B 112 -8.612 1.410 -5.558 1.00 30.14 C ATOM 1914 O LEU B 112 -9.367 0.736 -6.271 1.00 44.21 O ATOM 1915 CB LEU B 112 -6.325 1.912 -6.559 1.00 15.23 C ATOM 1916 CG LEU B 112 -5.365 2.891 -7.306 1.00 34.42 C ATOM 1917 CD1 LEU B 112 -3.968 2.276 -7.484 1.00 33.31 C ATOM 1918 CD2 LEU B 112 -5.951 3.350 -8.658 1.00 42.11 C ATOM 0 H LEU B 112 -6.604 3.786 -4.930 1.00 43.34 H new ATOM 0 HA LEU B 112 -8.197 2.842 -7.096 1.00 32.21 H new ATOM 0 HB2 LEU B 112 -5.833 1.574 -5.647 1.00 15.23 H new ATOM 0 HB3 LEU B 112 -6.477 1.032 -7.184 1.00 15.23 H new ATOM 0 HG LEU B 112 -5.261 3.778 -6.682 1.00 34.42 H new ATOM 0 HD11 LEU B 112 -3.324 2.982 -8.007 1.00 33.31 H new ATOM 0 HD12 LEU B 112 -3.542 2.052 -6.506 1.00 33.31 H new ATOM 0 HD13 LEU B 112 -4.046 1.357 -8.065 1.00 33.31 H new ATOM 0 HD21 LEU B 112 -5.252 4.030 -9.145 1.00 42.11 H new ATOM 0 HD22 LEU B 112 -6.118 2.482 -9.296 1.00 42.11 H new ATOM 0 HD23 LEU B 112 -6.898 3.863 -8.489 1.00 42.11 H new ATOM 1930 N VAL B 113 -8.533 1.264 -4.221 1.00 13.33 N ATOM 1931 CA VAL B 113 -9.436 0.371 -3.477 1.00 42.02 C ATOM 1932 C VAL B 113 -10.833 1.025 -3.379 1.00 24.41 C ATOM 1933 O VAL B 113 -11.847 0.386 -3.687 1.00 62.05 O ATOM 1934 CB VAL B 113 -8.919 0.052 -2.021 1.00 52.24 C ATOM 1935 CG1 VAL B 113 -9.809 -1.017 -1.342 1.00 71.51 C ATOM 1936 CG2 VAL B 113 -7.439 -0.369 -2.020 1.00 60.43 C ATOM 0 H VAL B 113 -7.854 1.753 -3.637 1.00 13.33 H new ATOM 0 HA VAL B 113 -9.479 -0.571 -4.024 1.00 42.02 H new ATOM 0 HB VAL B 113 -8.990 0.970 -1.438 1.00 52.24 H new ATOM 0 HG11 VAL B 113 -9.433 -1.220 -0.339 1.00 71.51 H new ATOM 0 HG12 VAL B 113 -10.833 -0.650 -1.278 1.00 71.51 H new ATOM 0 HG13 VAL B 113 -9.788 -1.934 -1.930 1.00 71.51 H new ATOM 0 HG21 VAL B 113 -7.121 -0.580 -0.999 1.00 60.43 H new ATOM 0 HG22 VAL B 113 -7.315 -1.263 -2.631 1.00 60.43 H new ATOM 0 HG23 VAL B 113 -6.831 0.438 -2.430 1.00 60.43 H new ATOM 1946 N ARG B 114 -10.843 2.320 -2.986 1.00 2.25 N ATOM 1947 CA ARG B 114 -12.065 3.071 -2.635 1.00 35.15 C ATOM 1948 C ARG B 114 -13.044 3.179 -3.812 1.00 52.24 C ATOM 1949 O ARG B 114 -14.223 2.836 -3.674 1.00 63.31 O ATOM 1950 CB ARG B 114 -11.719 4.487 -2.113 1.00 52.33 C ATOM 1951 CG ARG B 114 -12.933 5.278 -1.599 1.00 33.42 C ATOM 1952 CD ARG B 114 -12.574 6.687 -1.119 1.00 4.04 C ATOM 1953 NE ARG B 114 -13.752 7.412 -0.628 1.00 60.02 N ATOM 1954 CZ ARG B 114 -14.549 8.200 -1.372 1.00 1.41 C ATOM 1955 NH1 ARG B 114 -14.317 8.379 -2.672 1.00 33.31 N ATOM 1956 NH2 ARG B 114 -15.588 8.797 -0.800 1.00 72.40 N ATOM 0 H ARG B 114 -9.992 2.876 -2.904 1.00 2.25 H new ATOM 0 HA ARG B 114 -12.555 2.506 -1.843 1.00 35.15 H new ATOM 0 HB2 ARG B 114 -10.989 4.398 -1.308 1.00 52.33 H new ATOM 0 HB3 ARG B 114 -11.243 5.052 -2.914 1.00 52.33 H new ATOM 0 HG2 ARG B 114 -13.675 5.350 -2.394 1.00 33.42 H new ATOM 0 HG3 ARG B 114 -13.396 4.729 -0.779 1.00 33.42 H new ATOM 0 HD2 ARG B 114 -11.830 6.622 -0.325 1.00 4.04 H new ATOM 0 HD3 ARG B 114 -12.119 7.245 -1.937 1.00 4.04 H new ATOM 0 HE ARG B 114 -13.986 7.310 0.360 1.00 60.02 H new ATOM 0 HH11 ARG B 114 -13.525 7.915 -3.117 1.00 33.31 H new ATOM 0 HH12 ARG B 114 -14.931 8.980 -3.222 1.00 33.31 H new ATOM 0 HH21 ARG B 114 -15.774 8.656 0.193 1.00 72.40 H new ATOM 0 HH22 ARG B 114 -16.200 9.397 -1.353 1.00 72.40 H new ATOM 1970 N GLU B 115 -12.540 3.656 -4.955 1.00 43.32 N ATOM 1971 CA GLU B 115 -13.355 3.859 -6.165 1.00 44.34 C ATOM 1972 C GLU B 115 -13.974 2.544 -6.654 1.00 25.32 C ATOM 1973 O GLU B 115 -15.062 2.545 -7.227 1.00 13.33 O ATOM 1974 CB GLU B 115 -12.521 4.514 -7.295 1.00 1.21 C ATOM 1975 CG GLU B 115 -11.832 5.841 -6.906 1.00 32.32 C ATOM 1976 CD GLU B 115 -12.770 6.859 -6.249 1.00 62.41 C ATOM 1977 OE1 GLU B 115 -13.519 7.536 -6.975 1.00 21.31 O ATOM 1978 OE2 GLU B 115 -12.757 6.994 -4.994 1.00 32.15 O ATOM 0 H GLU B 115 -11.560 3.912 -5.071 1.00 43.32 H new ATOM 0 HA GLU B 115 -14.167 4.535 -5.897 1.00 44.34 H new ATOM 0 HB2 GLU B 115 -11.758 3.807 -7.621 1.00 1.21 H new ATOM 0 HB3 GLU B 115 -13.173 4.696 -8.149 1.00 1.21 H new ATOM 0 HG2 GLU B 115 -11.010 5.626 -6.223 1.00 32.32 H new ATOM 0 HG3 GLU B 115 -11.395 6.288 -7.799 1.00 32.32 H new ATOM 1985 N CYS B 116 -13.278 1.428 -6.388 1.00 43.03 N ATOM 1986 CA CYS B 116 -13.725 0.096 -6.809 1.00 43.43 C ATOM 1987 C CYS B 116 -14.721 -0.531 -5.807 1.00 20.30 C ATOM 1988 O CYS B 116 -15.487 -1.386 -6.219 1.00 34.25 O ATOM 1989 CB CYS B 116 -12.515 -0.834 -7.013 1.00 21.52 C ATOM 1990 SG CYS B 116 -11.317 -0.262 -8.233 1.00 15.35 S ATOM 0 H CYS B 116 -12.395 1.425 -5.878 1.00 43.03 H new ATOM 0 HA CYS B 116 -14.251 0.216 -7.756 1.00 43.43 H new ATOM 0 HB2 CYS B 116 -12.007 -0.960 -6.057 1.00 21.52 H new ATOM 0 HB3 CYS B 116 -12.877 -1.817 -7.314 1.00 21.52 H new ATOM 0 HG CYS B 116 -10.302 0.277 -7.625 1.00 15.35 H new ATOM 1996 N LEU B 117 -14.714 -0.083 -4.521 1.00 23.24 N ATOM 1997 CA LEU B 117 -15.549 -0.665 -3.418 1.00 72.14 C ATOM 1998 C LEU B 117 -17.002 -0.937 -3.864 1.00 22.33 C ATOM 1999 O LEU B 117 -17.482 -2.070 -3.744 1.00 1.20 O ATOM 2000 CB LEU B 117 -15.572 0.252 -2.152 1.00 55.40 C ATOM 2001 CG LEU B 117 -14.255 0.366 -1.321 1.00 51.22 C ATOM 2002 CD1 LEU B 117 -14.413 1.415 -0.194 1.00 75.31 C ATOM 2003 CD2 LEU B 117 -13.816 -1.005 -0.759 1.00 64.45 C ATOM 0 H LEU B 117 -14.129 0.694 -4.214 1.00 23.24 H new ATOM 0 HA LEU B 117 -15.075 -1.613 -3.164 1.00 72.14 H new ATOM 0 HB2 LEU B 117 -15.858 1.255 -2.468 1.00 55.40 H new ATOM 0 HB3 LEU B 117 -16.358 -0.109 -1.489 1.00 55.40 H new ATOM 0 HG LEU B 117 -13.464 0.704 -1.990 1.00 51.22 H new ATOM 0 HD11 LEU B 117 -13.485 1.481 0.375 1.00 75.31 H new ATOM 0 HD12 LEU B 117 -14.640 2.387 -0.631 1.00 75.31 H new ATOM 0 HD13 LEU B 117 -15.225 1.117 0.469 1.00 75.31 H new ATOM 0 HD21 LEU B 117 -12.896 -0.886 -0.187 1.00 64.45 H new ATOM 0 HD22 LEU B 117 -14.598 -1.400 -0.111 1.00 64.45 H new ATOM 0 HD23 LEU B 117 -13.644 -1.698 -1.583 1.00 64.45 H new