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 -178:sc= -1.35 (180deg=-1.44) USER MOD Set 1.2: B 84 MET CE :methyl 168:sc= -1.99 (180deg=-2.36!) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.228 USER MOD Single : A 79 SER OG : rot 72:sc= 0.253 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= 0.407 (180deg=0.0355) USER MOD Single : A 91 THR OG1 : rot 91:sc= 0.97 USER MOD Single : A 92 TYR OH : rot -36:sc= -0.657 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00271) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 153:sc= -0.237 (180deg=-0.986) USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= -0.479 (180deg=-1.34!) USER MOD Single : A 108 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.29) USER MOD Single : B 75 THR OG1 : rot 33:sc= 0.139 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -105:sc= 1.01 (180deg=-0.072) USER MOD Single : B 91 THR OG1 : rot 98:sc= 1.02 USER MOD Single : B 92 TYR OH : rot -33:sc=-0.00151 USER MOD Single : B 95 SER OG : rot 180:sc= 0 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 140:sc= -0.198 (180deg=-0.9) USER MOD Single : B 103 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.208) USER MOD Single : B 108 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.55) USER MOD Single : B 116 CYS SG : rot -24:sc= 0.0571 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.176 -4.521 1.982 1.00 34.10 N ATOM 242 CA THR A 75 -11.956 -3.342 2.861 1.00 1.10 C ATOM 243 C THR A 75 -10.759 -3.569 3.831 1.00 23.21 C ATOM 244 O THR A 75 -10.216 -2.616 4.415 1.00 61.32 O ATOM 245 CB THR A 75 -13.258 -3.016 3.665 1.00 74.22 C ATOM 246 OG1 THR A 75 -14.363 -2.957 2.758 1.00 43.34 O ATOM 247 CG2 THR A 75 -13.181 -1.683 4.440 1.00 61.41 C ATOM 0 HA THR A 75 -11.710 -2.491 2.225 1.00 1.10 H new ATOM 0 HB THR A 75 -13.383 -3.810 4.401 1.00 74.22 H new ATOM 0 HG1 THR A 75 -14.208 -3.575 2.013 1.00 43.34 H new ATOM 0 HG21 THR A 75 -14.116 -1.519 4.975 1.00 61.41 H new ATOM 0 HG22 THR A 75 -12.357 -1.724 5.153 1.00 61.41 H new ATOM 0 HG23 THR A 75 -13.015 -0.864 3.740 1.00 61.41 H new ATOM 255 N ASP A 76 -10.355 -4.850 3.991 1.00 33.14 N ATOM 256 CA ASP A 76 -9.155 -5.232 4.752 1.00 73.45 C ATOM 257 C ASP A 76 -7.912 -4.555 4.138 1.00 63.33 C ATOM 258 O ASP A 76 -7.059 -4.045 4.863 1.00 31.02 O ATOM 259 CB ASP A 76 -8.990 -6.776 4.766 1.00 63.31 C ATOM 260 CG ASP A 76 -7.857 -7.233 5.703 1.00 44.12 C ATOM 261 OD1 ASP A 76 -8.120 -7.414 6.910 1.00 53.40 O ATOM 262 OD2 ASP A 76 -6.709 -7.414 5.252 1.00 35.24 O ATOM 0 H ASP A 76 -10.856 -5.645 3.594 1.00 33.14 H new ATOM 0 HA ASP A 76 -9.265 -4.895 5.783 1.00 73.45 H new ATOM 0 HB2 ASP A 76 -9.927 -7.237 5.080 1.00 63.31 H new ATOM 0 HB3 ASP A 76 -8.786 -7.127 3.754 1.00 63.31 H new ATOM 267 N LEU A 77 -7.878 -4.510 2.786 1.00 50.34 N ATOM 268 CA LEU A 77 -6.808 -3.845 2.018 1.00 1.41 C ATOM 269 C LEU A 77 -6.810 -2.325 2.270 1.00 32.53 C ATOM 270 O LEU A 77 -5.748 -1.739 2.462 1.00 72.54 O ATOM 271 CB LEU A 77 -6.943 -4.156 0.500 1.00 24.53 C ATOM 272 CG LEU A 77 -5.838 -3.542 -0.424 1.00 43.22 C ATOM 273 CD1 LEU A 77 -4.425 -3.930 0.043 1.00 41.53 C ATOM 274 CD2 LEU A 77 -6.055 -3.940 -1.891 1.00 51.10 C ATOM 0 H LEU A 77 -8.595 -4.936 2.199 1.00 50.34 H new ATOM 0 HA LEU A 77 -5.852 -4.240 2.361 1.00 1.41 H new ATOM 0 HB2 LEU A 77 -6.939 -5.238 0.369 1.00 24.53 H new ATOM 0 HB3 LEU A 77 -7.914 -3.797 0.160 1.00 24.53 H new ATOM 0 HG LEU A 77 -5.924 -2.458 -0.350 1.00 43.22 H new ATOM 0 HD11 LEU A 77 -3.686 -3.485 -0.624 1.00 41.53 H new ATOM 0 HD12 LEU A 77 -4.264 -3.566 1.058 1.00 41.53 H new ATOM 0 HD13 LEU A 77 -4.321 -5.015 0.026 1.00 41.53 H new ATOM 0 HD21 LEU A 77 -5.272 -3.498 -2.507 1.00 51.10 H new ATOM 0 HD22 LEU A 77 -6.020 -5.026 -1.982 1.00 51.10 H new ATOM 0 HD23 LEU A 77 -7.027 -3.579 -2.226 1.00 51.10 H new ATOM 286 N LEU A 78 -8.019 -1.721 2.312 1.00 1.52 N ATOM 287 CA LEU A 78 -8.207 -0.271 2.582 1.00 43.42 C ATOM 288 C LEU A 78 -7.552 0.116 3.922 1.00 10.51 C ATOM 289 O LEU A 78 -6.960 1.199 4.062 1.00 11.15 O ATOM 290 CB LEU A 78 -9.728 0.049 2.631 1.00 70.34 C ATOM 291 CG LEU A 78 -10.132 1.558 2.743 1.00 75.30 C ATOM 292 CD1 LEU A 78 -9.913 2.308 1.411 1.00 64.14 C ATOM 293 CD2 LEU A 78 -11.581 1.711 3.258 1.00 72.43 C ATOM 0 H LEU A 78 -8.894 -2.222 2.160 1.00 1.52 H new ATOM 0 HA LEU A 78 -7.734 0.303 1.785 1.00 43.42 H new ATOM 0 HB2 LEU A 78 -10.190 -0.360 1.732 1.00 70.34 H new ATOM 0 HB3 LEU A 78 -10.159 -0.481 3.480 1.00 70.34 H new ATOM 0 HG LEU A 78 -9.474 2.021 3.478 1.00 75.30 H new ATOM 0 HD11 LEU A 78 -10.205 3.352 1.529 1.00 64.14 H new ATOM 0 HD12 LEU A 78 -8.861 2.255 1.132 1.00 64.14 H new ATOM 0 HD13 LEU A 78 -10.519 1.848 0.630 1.00 64.14 H new ATOM 0 HD21 LEU A 78 -11.833 2.769 3.325 1.00 72.43 H new ATOM 0 HD22 LEU A 78 -12.266 1.218 2.569 1.00 72.43 H new ATOM 0 HD23 LEU A 78 -11.667 1.254 4.244 1.00 72.43 H new ATOM 305 N SER A 79 -7.662 -0.816 4.888 1.00 54.31 N ATOM 306 CA SER A 79 -7.046 -0.693 6.205 1.00 45.32 C ATOM 307 C SER A 79 -5.506 -0.755 6.084 1.00 62.02 C ATOM 308 O SER A 79 -4.835 0.182 6.505 1.00 43.34 O ATOM 309 CB SER A 79 -7.576 -1.801 7.131 1.00 25.35 C ATOM 310 OG SER A 79 -8.994 -1.818 7.129 1.00 33.41 O ATOM 0 H SER A 79 -8.188 -1.681 4.766 1.00 54.31 H new ATOM 0 HA SER A 79 -7.308 0.272 6.638 1.00 45.32 H new ATOM 0 HB2 SER A 79 -7.195 -2.769 6.804 1.00 25.35 H new ATOM 0 HB3 SER A 79 -7.210 -1.640 8.145 1.00 25.35 H new ATOM 0 HG SER A 79 -9.316 -2.168 6.272 1.00 33.41 H new ATOM 316 N VAL A 80 -4.981 -1.824 5.425 1.00 10.13 N ATOM 317 CA VAL A 80 -3.519 -2.091 5.316 1.00 42.24 C ATOM 318 C VAL A 80 -2.767 -0.882 4.712 1.00 35.44 C ATOM 319 O VAL A 80 -1.711 -0.486 5.223 1.00 61.15 O ATOM 320 CB VAL A 80 -3.204 -3.377 4.444 1.00 24.44 C ATOM 321 CG1 VAL A 80 -1.685 -3.676 4.393 1.00 32.03 C ATOM 322 CG2 VAL A 80 -3.974 -4.613 4.950 1.00 2.04 C ATOM 0 H VAL A 80 -5.557 -2.523 4.956 1.00 10.13 H new ATOM 0 HA VAL A 80 -3.171 -2.267 6.334 1.00 42.24 H new ATOM 0 HB VAL A 80 -3.542 -3.157 3.431 1.00 24.44 H new ATOM 0 HG11 VAL A 80 -1.509 -4.564 3.786 1.00 32.03 H new ATOM 0 HG12 VAL A 80 -1.162 -2.827 3.953 1.00 32.03 H new ATOM 0 HG13 VAL A 80 -1.314 -3.847 5.403 1.00 32.03 H new ATOM 0 HG21 VAL A 80 -3.731 -5.473 4.326 1.00 2.04 H new ATOM 0 HG22 VAL A 80 -3.690 -4.821 5.982 1.00 2.04 H new ATOM 0 HG23 VAL A 80 -5.046 -4.420 4.900 1.00 2.04 H new ATOM 332 N ILE A 81 -3.346 -0.305 3.632 1.00 21.35 N ATOM 333 CA ILE A 81 -2.777 0.867 2.940 1.00 55.40 C ATOM 334 C ILE A 81 -2.619 2.057 3.909 1.00 21.02 C ATOM 335 O ILE A 81 -1.526 2.610 4.054 1.00 12.34 O ATOM 336 CB ILE A 81 -3.648 1.324 1.705 1.00 51.14 C ATOM 337 CG1 ILE A 81 -3.918 0.149 0.710 1.00 53.15 C ATOM 338 CG2 ILE A 81 -2.959 2.498 0.979 1.00 45.42 C ATOM 339 CD1 ILE A 81 -2.680 -0.506 0.134 1.00 20.53 C ATOM 0 H ILE A 81 -4.217 -0.640 3.221 1.00 21.35 H new ATOM 0 HA ILE A 81 -1.800 0.555 2.571 1.00 55.40 H new ATOM 0 HB ILE A 81 -4.615 1.652 2.086 1.00 51.14 H new ATOM 0 HG12 ILE A 81 -4.507 -0.612 1.222 1.00 53.15 H new ATOM 0 HG13 ILE A 81 -4.527 0.523 -0.112 1.00 53.15 H new ATOM 0 HG21 ILE A 81 -3.567 2.807 0.128 1.00 45.42 H new ATOM 0 HG22 ILE A 81 -2.846 3.336 1.667 1.00 45.42 H new ATOM 0 HG23 ILE A 81 -1.977 2.182 0.627 1.00 45.42 H new ATOM 0 HD11 ILE A 81 -2.974 -1.308 -0.543 1.00 20.53 H new ATOM 0 HD12 ILE A 81 -2.097 0.235 -0.413 1.00 20.53 H new ATOM 0 HD13 ILE A 81 -2.076 -0.918 0.943 1.00 20.53 H new ATOM 351 N GLU A 82 -3.726 2.398 4.598 1.00 43.44 N ATOM 352 CA GLU A 82 -3.793 3.574 5.483 1.00 31.53 C ATOM 353 C GLU A 82 -2.870 3.393 6.705 1.00 31.14 C ATOM 354 O GLU A 82 -2.257 4.364 7.159 1.00 4.43 O ATOM 355 CB GLU A 82 -5.259 3.842 5.899 1.00 73.44 C ATOM 356 CG GLU A 82 -5.474 5.105 6.747 1.00 0.42 C ATOM 357 CD GLU A 82 -6.959 5.454 6.904 1.00 61.33 C ATOM 358 OE1 GLU A 82 -7.498 6.189 6.058 1.00 1.02 O ATOM 359 OE2 GLU A 82 -7.604 4.964 7.848 1.00 1.42 O ATOM 0 H GLU A 82 -4.596 1.867 4.556 1.00 43.44 H new ATOM 0 HA GLU A 82 -3.435 4.449 4.940 1.00 31.53 H new ATOM 0 HB2 GLU A 82 -5.868 3.920 4.998 1.00 73.44 H new ATOM 0 HB3 GLU A 82 -5.625 2.981 6.458 1.00 73.44 H new ATOM 0 HG2 GLU A 82 -5.031 4.958 7.732 1.00 0.42 H new ATOM 0 HG3 GLU A 82 -4.953 5.943 6.285 1.00 0.42 H new ATOM 366 N GLU A 83 -2.737 2.126 7.179 1.00 51.35 N ATOM 367 CA GLU A 83 -1.820 1.755 8.279 1.00 55.34 C ATOM 368 C GLU A 83 -0.380 2.124 7.907 1.00 34.21 C ATOM 369 O GLU A 83 0.329 2.762 8.685 1.00 42.42 O ATOM 370 CB GLU A 83 -1.903 0.234 8.582 1.00 0.02 C ATOM 371 CG GLU A 83 -3.223 -0.231 9.218 1.00 74.21 C ATOM 372 CD GLU A 83 -3.423 0.283 10.658 1.00 11.33 C ATOM 373 OE1 GLU A 83 -2.906 -0.358 11.601 1.00 10.32 O ATOM 374 OE2 GLU A 83 -4.074 1.335 10.854 1.00 44.21 O ATOM 0 H GLU A 83 -3.264 1.336 6.806 1.00 51.35 H new ATOM 0 HA GLU A 83 -2.120 2.305 9.171 1.00 55.34 H new ATOM 0 HB2 GLU A 83 -1.752 -0.315 7.653 1.00 0.02 H new ATOM 0 HB3 GLU A 83 -1.082 -0.034 9.248 1.00 0.02 H new ATOM 0 HG2 GLU A 83 -4.055 0.108 8.600 1.00 74.21 H new ATOM 0 HG3 GLU A 83 -3.252 -1.321 9.222 1.00 74.21 H new ATOM 381 N MET A 84 0.016 1.735 6.684 1.00 11.35 N ATOM 382 CA MET A 84 1.338 2.036 6.139 1.00 1.32 C ATOM 383 C MET A 84 1.557 3.558 6.043 1.00 64.53 C ATOM 384 O MET A 84 2.595 4.063 6.465 1.00 55.42 O ATOM 385 CB MET A 84 1.523 1.330 4.767 1.00 11.23 C ATOM 386 CG MET A 84 1.540 -0.204 4.859 1.00 11.51 C ATOM 387 SD MET A 84 1.911 -1.013 3.288 1.00 51.14 S ATOM 388 CE MET A 84 0.560 -0.499 2.229 1.00 21.12 C ATOM 0 H MET A 84 -0.578 1.202 6.049 1.00 11.35 H new ATOM 0 HA MET A 84 2.099 1.648 6.816 1.00 1.32 H new ATOM 0 HB2 MET A 84 0.718 1.636 4.099 1.00 11.23 H new ATOM 0 HB3 MET A 84 2.456 1.669 4.317 1.00 11.23 H new ATOM 0 HG2 MET A 84 2.280 -0.508 5.599 1.00 11.51 H new ATOM 0 HG3 MET A 84 0.570 -0.550 5.217 1.00 11.51 H new ATOM 0 HE1 MET A 84 0.667 -0.966 1.250 1.00 21.12 H new ATOM 0 HE2 MET A 84 -0.387 -0.803 2.674 1.00 21.12 H new ATOM 0 HE3 MET A 84 0.577 0.585 2.118 1.00 21.12 H new ATOM 398 N GLY A 85 0.522 4.278 5.570 1.00 33.24 N ATOM 399 CA GLY A 85 0.566 5.741 5.410 1.00 15.53 C ATOM 400 C GLY A 85 0.786 6.503 6.710 1.00 11.45 C ATOM 401 O GLY A 85 1.241 7.649 6.694 1.00 71.22 O ATOM 0 H GLY A 85 -0.366 3.861 5.289 1.00 33.24 H new ATOM 0 HA2 GLY A 85 1.364 5.995 4.713 1.00 15.53 H new ATOM 0 HA3 GLY A 85 -0.369 6.075 4.960 1.00 15.53 H new ATOM 405 N LYS A 86 0.452 5.858 7.833 1.00 34.04 N ATOM 406 CA LYS A 86 0.695 6.389 9.179 1.00 61.10 C ATOM 407 C LYS A 86 2.171 6.161 9.549 1.00 70.44 C ATOM 408 O LYS A 86 2.873 7.065 10.002 1.00 21.34 O ATOM 409 CB LYS A 86 -0.235 5.651 10.190 1.00 25.11 C ATOM 410 CG LYS A 86 -1.752 5.836 9.913 1.00 50.44 C ATOM 411 CD LYS A 86 -2.636 4.766 10.602 1.00 61.41 C ATOM 412 CE LYS A 86 -2.490 4.727 12.132 1.00 41.21 C ATOM 413 NZ LYS A 86 -3.331 3.655 12.739 1.00 43.52 N ATOM 0 H LYS A 86 0.001 4.943 7.833 1.00 34.04 H new ATOM 0 HA LYS A 86 0.481 7.457 9.210 1.00 61.10 H new ATOM 0 HB2 LYS A 86 -0.001 4.587 10.171 1.00 25.11 H new ATOM 0 HB3 LYS A 86 -0.015 6.008 11.196 1.00 25.11 H new ATOM 0 HG2 LYS A 86 -2.059 6.825 10.254 1.00 50.44 H new ATOM 0 HG3 LYS A 86 -1.925 5.802 8.837 1.00 50.44 H new ATOM 0 HD2 LYS A 86 -3.680 4.955 10.351 1.00 61.41 H new ATOM 0 HD3 LYS A 86 -2.384 3.786 10.198 1.00 61.41 H new ATOM 0 HE2 LYS A 86 -1.445 4.562 12.394 1.00 41.21 H new ATOM 0 HE3 LYS A 86 -2.774 5.693 12.550 1.00 41.21 H new ATOM 0 HZ1 LYS A 86 -2.817 3.216 13.529 1.00 43.52 H new ATOM 0 HZ2 LYS A 86 -4.219 4.067 13.090 1.00 43.52 H new ATOM 0 HZ3 LYS A 86 -3.545 2.933 12.021 1.00 43.52 H new ATOM 427 N GLU A 87 2.629 4.932 9.269 1.00 12.11 N ATOM 428 CA GLU A 87 3.899 4.377 9.779 1.00 64.42 C ATOM 429 C GLU A 87 5.119 4.711 8.901 1.00 62.14 C ATOM 430 O GLU A 87 6.222 4.235 9.174 1.00 15.31 O ATOM 431 CB GLU A 87 3.705 2.853 9.967 1.00 35.51 C ATOM 432 CG GLU A 87 2.548 2.532 10.932 1.00 25.33 C ATOM 433 CD GLU A 87 2.287 1.042 11.113 1.00 51.30 C ATOM 434 OE1 GLU A 87 2.908 0.433 12.009 1.00 13.21 O ATOM 435 OE2 GLU A 87 1.436 0.474 10.387 1.00 72.10 O ATOM 0 H GLU A 87 2.120 4.281 8.671 1.00 12.11 H new ATOM 0 HA GLU A 87 4.131 4.848 10.734 1.00 64.42 H new ATOM 0 HB2 GLU A 87 3.509 2.391 9.000 1.00 35.51 H new ATOM 0 HB3 GLU A 87 4.627 2.415 10.349 1.00 35.51 H new ATOM 0 HG2 GLU A 87 2.767 2.973 11.905 1.00 25.33 H new ATOM 0 HG3 GLU A 87 1.639 3.008 10.564 1.00 25.33 H new ATOM 442 N ILE A 88 4.918 5.564 7.882 1.00 1.20 N ATOM 443 CA ILE A 88 6.018 6.162 7.091 1.00 63.32 C ATOM 444 C ILE A 88 6.782 7.206 7.944 1.00 4.10 C ATOM 445 O ILE A 88 7.973 7.444 7.717 1.00 30.11 O ATOM 446 CB ILE A 88 5.466 6.819 5.762 1.00 61.21 C ATOM 447 CG1 ILE A 88 4.719 5.747 4.918 1.00 22.01 C ATOM 448 CG2 ILE A 88 6.587 7.496 4.918 1.00 33.40 C ATOM 449 CD1 ILE A 88 3.965 6.286 3.724 1.00 73.04 C ATOM 0 H ILE A 88 3.990 5.861 7.580 1.00 1.20 H new ATOM 0 HA ILE A 88 6.711 5.369 6.808 1.00 63.32 H new ATOM 0 HB ILE A 88 4.772 7.609 6.050 1.00 61.21 H new ATOM 0 HG12 ILE A 88 5.444 5.011 4.569 1.00 22.01 H new ATOM 0 HG13 ILE A 88 4.017 5.221 5.565 1.00 22.01 H new ATOM 0 HG21 ILE A 88 6.152 7.930 4.018 1.00 33.40 H new ATOM 0 HG22 ILE A 88 7.062 8.281 5.507 1.00 33.40 H new ATOM 0 HG23 ILE A 88 7.332 6.751 4.638 1.00 33.40 H new ATOM 0 HD11 ILE A 88 3.478 5.464 3.200 1.00 73.04 H new ATOM 0 HD12 ILE A 88 3.212 6.998 4.061 1.00 73.04 H new ATOM 0 HD13 ILE A 88 4.661 6.785 3.049 1.00 73.04 H new ATOM 461 N ARG A 89 6.099 7.795 8.956 1.00 30.53 N ATOM 462 CA ARG A 89 6.686 8.849 9.804 1.00 43.42 C ATOM 463 C ARG A 89 7.804 8.263 10.733 1.00 3.13 C ATOM 464 O ARG A 89 8.929 8.787 10.703 1.00 53.13 O ATOM 465 CB ARG A 89 5.585 9.608 10.610 1.00 11.51 C ATOM 466 CG ARG A 89 6.118 10.729 11.532 1.00 24.15 C ATOM 467 CD ARG A 89 6.706 11.909 10.749 1.00 31.32 C ATOM 468 NE ARG A 89 7.368 12.904 11.614 1.00 31.52 N ATOM 469 CZ ARG A 89 8.553 13.473 11.348 1.00 1.52 C ATOM 470 NH1 ARG A 89 9.233 13.142 10.249 1.00 72.13 N ATOM 471 NH2 ARG A 89 9.045 14.392 12.166 1.00 14.54 N ATOM 0 H ARG A 89 5.139 7.554 9.201 1.00 30.53 H new ATOM 0 HA ARG A 89 7.161 9.583 9.153 1.00 43.42 H new ATOM 0 HB2 ARG A 89 4.873 10.042 9.907 1.00 11.51 H new ATOM 0 HB3 ARG A 89 5.036 8.888 11.216 1.00 11.51 H new ATOM 0 HG2 ARG A 89 5.308 11.087 12.167 1.00 24.15 H new ATOM 0 HG3 ARG A 89 6.883 10.319 12.192 1.00 24.15 H new ATOM 0 HD2 ARG A 89 7.425 11.533 10.022 1.00 31.32 H new ATOM 0 HD3 ARG A 89 5.910 12.397 10.187 1.00 31.32 H new ATOM 0 HE ARG A 89 6.892 13.178 12.473 1.00 31.52 H new ATOM 0 HH11 ARG A 89 8.852 12.451 9.603 1.00 72.13 H new ATOM 0 HH12 ARG A 89 10.133 13.580 10.055 1.00 72.13 H new ATOM 0 HH21 ARG A 89 8.523 14.667 12.998 1.00 14.54 H new ATOM 0 HH22 ARG A 89 9.946 14.825 11.964 1.00 14.54 H new ATOM 485 N PRO A 90 7.538 7.180 11.577 1.00 24.14 N ATOM 486 CA PRO A 90 8.609 6.528 12.380 1.00 51.43 C ATOM 487 C PRO A 90 9.724 5.896 11.501 1.00 62.04 C ATOM 488 O PRO A 90 10.897 5.945 11.871 1.00 22.52 O ATOM 489 CB PRO A 90 7.862 5.457 13.224 1.00 22.31 C ATOM 490 CG PRO A 90 6.422 5.856 13.184 1.00 21.23 C ATOM 491 CD PRO A 90 6.215 6.558 11.862 1.00 74.34 C ATOM 0 HA PRO A 90 9.140 7.252 12.999 1.00 51.43 H new ATOM 0 HB2 PRO A 90 8.005 4.459 12.809 1.00 22.31 H new ATOM 0 HB3 PRO A 90 8.235 5.433 14.248 1.00 22.31 H new ATOM 0 HG2 PRO A 90 5.774 4.983 13.267 1.00 21.23 H new ATOM 0 HG3 PRO A 90 6.177 6.515 14.017 1.00 21.23 H new ATOM 0 HD2 PRO A 90 5.926 5.858 11.079 1.00 74.34 H new ATOM 0 HD3 PRO A 90 5.426 7.308 11.927 1.00 74.34 H new ATOM 499 N THR A 91 9.339 5.321 10.339 1.00 42.43 N ATOM 500 CA THR A 91 10.290 4.740 9.359 1.00 62.44 C ATOM 501 C THR A 91 11.301 5.806 8.881 1.00 33.21 C ATOM 502 O THR A 91 12.519 5.577 8.884 1.00 13.35 O ATOM 503 CB THR A 91 9.530 4.129 8.137 1.00 11.35 C ATOM 504 OG1 THR A 91 8.699 3.053 8.594 1.00 14.45 O ATOM 505 CG2 THR A 91 10.470 3.608 7.028 1.00 24.45 C ATOM 0 H THR A 91 8.363 5.246 10.053 1.00 42.43 H new ATOM 0 HA THR A 91 10.837 3.940 9.858 1.00 62.44 H new ATOM 0 HB THR A 91 8.937 4.931 7.697 1.00 11.35 H new ATOM 0 HG1 THR A 91 7.810 3.399 8.818 1.00 14.45 H new ATOM 0 HG21 THR A 91 9.876 3.198 6.211 1.00 24.45 H new ATOM 0 HG22 THR A 91 11.083 4.429 6.655 1.00 24.45 H new ATOM 0 HG23 THR A 91 11.115 2.829 7.434 1.00 24.45 H new ATOM 513 N TYR A 92 10.773 6.982 8.496 1.00 3.35 N ATOM 514 CA TYR A 92 11.589 8.128 8.083 1.00 12.21 C ATOM 515 C TYR A 92 12.410 8.671 9.278 1.00 75.41 C ATOM 516 O TYR A 92 13.501 9.210 9.090 1.00 23.45 O ATOM 517 CB TYR A 92 10.702 9.243 7.465 1.00 21.31 C ATOM 518 CG TYR A 92 11.508 10.425 6.901 1.00 71.41 C ATOM 519 CD1 TYR A 92 12.180 10.313 5.681 1.00 30.43 C ATOM 520 CD2 TYR A 92 11.625 11.639 7.596 1.00 23.22 C ATOM 521 CE1 TYR A 92 12.927 11.353 5.175 1.00 34.41 C ATOM 522 CE2 TYR A 92 12.378 12.679 7.089 1.00 2.32 C ATOM 523 CZ TYR A 92 13.027 12.531 5.879 1.00 50.01 C ATOM 524 OH TYR A 92 13.787 13.565 5.383 1.00 24.11 O ATOM 0 H TYR A 92 9.769 7.160 8.464 1.00 3.35 H new ATOM 0 HA TYR A 92 12.287 7.792 7.316 1.00 12.21 H new ATOM 0 HB2 TYR A 92 10.095 8.814 6.668 1.00 21.31 H new ATOM 0 HB3 TYR A 92 10.014 9.612 8.225 1.00 21.31 H new ATOM 0 HD1 TYR A 92 12.112 9.391 5.123 1.00 30.43 H new ATOM 0 HD2 TYR A 92 11.118 11.761 8.542 1.00 23.22 H new ATOM 0 HE1 TYR A 92 13.433 11.244 4.227 1.00 34.41 H new ATOM 0 HE2 TYR A 92 12.459 13.606 7.637 1.00 2.32 H new ATOM 0 HH TYR A 92 14.578 13.203 4.931 1.00 24.11 H new ATOM 534 N ALA A 93 11.888 8.495 10.508 1.00 62.52 N ATOM 535 CA ALA A 93 12.577 8.903 11.758 1.00 4.23 C ATOM 536 C ALA A 93 13.687 7.899 12.168 1.00 22.02 C ATOM 537 O ALA A 93 14.275 8.032 13.247 1.00 62.31 O ATOM 538 CB ALA A 93 11.537 9.067 12.882 1.00 63.20 C ATOM 0 H ALA A 93 10.976 8.066 10.668 1.00 62.52 H new ATOM 0 HA ALA A 93 13.073 9.857 11.580 1.00 4.23 H new ATOM 0 HB1 ALA A 93 12.039 9.367 13.802 1.00 63.20 H new ATOM 0 HB2 ALA A 93 10.813 9.831 12.599 1.00 63.20 H new ATOM 0 HB3 ALA A 93 11.022 8.120 13.042 1.00 63.20 H new ATOM 544 N GLY A 94 13.954 6.889 11.302 1.00 34.42 N ATOM 545 CA GLY A 94 15.049 5.926 11.501 1.00 61.30 C ATOM 546 C GLY A 94 14.651 4.686 12.298 1.00 21.25 C ATOM 547 O GLY A 94 15.494 3.807 12.524 1.00 43.34 O ATOM 0 H GLY A 94 13.415 6.726 10.452 1.00 34.42 H new ATOM 0 HA2 GLY A 94 15.425 5.613 10.527 1.00 61.30 H new ATOM 0 HA3 GLY A 94 15.870 6.427 12.014 1.00 61.30 H new ATOM 551 N SER A 95 13.378 4.610 12.721 1.00 50.33 N ATOM 552 CA SER A 95 12.853 3.481 13.506 1.00 12.10 C ATOM 553 C SER A 95 12.690 2.219 12.626 1.00 51.03 C ATOM 554 O SER A 95 11.744 2.098 11.835 1.00 20.40 O ATOM 555 CB SER A 95 11.535 3.889 14.181 1.00 65.35 C ATOM 556 OG SER A 95 11.717 5.056 14.962 1.00 4.13 O ATOM 0 H SER A 95 12.683 5.331 12.528 1.00 50.33 H new ATOM 0 HA SER A 95 13.569 3.225 14.287 1.00 12.10 H new ATOM 0 HB2 SER A 95 10.772 4.067 13.423 1.00 65.35 H new ATOM 0 HB3 SER A 95 11.175 3.075 14.811 1.00 65.35 H new ATOM 0 HG SER A 95 10.868 5.303 15.384 1.00 4.13 H new ATOM 562 N LYS A 96 13.687 1.330 12.755 1.00 73.11 N ATOM 563 CA LYS A 96 13.804 0.058 12.019 1.00 43.54 C ATOM 564 C LYS A 96 12.621 -0.916 12.272 1.00 51.44 C ATOM 565 O LYS A 96 12.238 -1.661 11.359 1.00 71.24 O ATOM 566 CB LYS A 96 15.176 -0.585 12.388 1.00 73.30 C ATOM 567 CG LYS A 96 15.390 -0.847 13.904 1.00 64.33 C ATOM 568 CD LYS A 96 16.836 -1.281 14.262 1.00 4.14 C ATOM 569 CE LYS A 96 17.281 -2.586 13.574 1.00 45.42 C ATOM 570 NZ LYS A 96 16.430 -3.743 13.942 1.00 73.22 N ATOM 0 H LYS A 96 14.464 1.481 13.398 1.00 73.11 H new ATOM 0 HA LYS A 96 13.758 0.268 10.950 1.00 43.54 H new ATOM 0 HB2 LYS A 96 15.273 -1.530 11.854 1.00 73.30 H new ATOM 0 HB3 LYS A 96 15.974 0.066 12.031 1.00 73.30 H new ATOM 0 HG2 LYS A 96 15.144 0.058 14.459 1.00 64.33 H new ATOM 0 HG3 LYS A 96 14.696 -1.621 14.232 1.00 64.33 H new ATOM 0 HD2 LYS A 96 17.524 -0.482 13.985 1.00 4.14 H new ATOM 0 HD3 LYS A 96 16.911 -1.407 15.342 1.00 4.14 H new ATOM 0 HE2 LYS A 96 17.255 -2.450 12.493 1.00 45.42 H new ATOM 0 HE3 LYS A 96 18.315 -2.800 13.843 1.00 45.42 H new ATOM 0 HZ1 LYS A 96 16.782 -4.598 13.466 1.00 73.22 H new ATOM 0 HZ2 LYS A 96 16.460 -3.883 14.972 1.00 73.22 H new ATOM 0 HZ3 LYS A 96 15.450 -3.561 13.646 1.00 73.22 H new ATOM 584 N SER A 97 12.065 -0.913 13.502 1.00 50.40 N ATOM 585 CA SER A 97 10.894 -1.755 13.856 1.00 62.21 C ATOM 586 C SER A 97 9.638 -1.337 13.054 1.00 24.51 C ATOM 587 O SER A 97 8.841 -2.189 12.638 1.00 55.10 O ATOM 588 CB SER A 97 10.607 -1.697 15.374 1.00 44.34 C ATOM 589 OG SER A 97 11.739 -2.095 16.129 1.00 44.40 O ATOM 0 H SER A 97 12.407 -0.336 14.271 1.00 50.40 H new ATOM 0 HA SER A 97 11.139 -2.783 13.591 1.00 62.21 H new ATOM 0 HB2 SER A 97 10.319 -0.683 15.653 1.00 44.34 H new ATOM 0 HB3 SER A 97 9.763 -2.345 15.611 1.00 44.34 H new ATOM 0 HG SER A 97 11.528 -2.047 17.085 1.00 44.40 H new ATOM 595 N ALA A 98 9.482 -0.014 12.864 1.00 41.03 N ATOM 596 CA ALA A 98 8.435 0.572 12.016 1.00 23.30 C ATOM 597 C ALA A 98 8.666 0.251 10.533 1.00 50.22 C ATOM 598 O ALA A 98 7.705 0.020 9.802 1.00 60.34 O ATOM 599 CB ALA A 98 8.401 2.084 12.218 1.00 11.43 C ATOM 0 H ALA A 98 10.086 0.682 13.300 1.00 41.03 H new ATOM 0 HA ALA A 98 7.479 0.137 12.308 1.00 23.30 H new ATOM 0 HB1 ALA A 98 7.624 2.518 11.589 1.00 11.43 H new ATOM 0 HB2 ALA A 98 8.187 2.307 13.263 1.00 11.43 H new ATOM 0 HB3 ALA A 98 9.367 2.509 11.947 1.00 11.43 H new ATOM 605 N MET A 99 9.952 0.257 10.109 1.00 1.22 N ATOM 606 CA MET A 99 10.345 -0.010 8.710 1.00 63.32 C ATOM 607 C MET A 99 9.980 -1.445 8.284 1.00 0.51 C ATOM 608 O MET A 99 9.357 -1.630 7.249 1.00 11.42 O ATOM 609 CB MET A 99 11.868 0.228 8.496 1.00 32.31 C ATOM 610 CG MET A 99 12.366 -0.098 7.066 1.00 64.23 C ATOM 611 SD MET A 99 14.161 -0.047 6.881 1.00 75.33 S ATOM 612 CE MET A 99 14.707 -1.200 8.140 1.00 71.13 C ATOM 0 H MET A 99 10.741 0.447 10.726 1.00 1.22 H new ATOM 0 HA MET A 99 9.788 0.689 8.086 1.00 63.32 H new ATOM 0 HB2 MET A 99 12.097 1.270 8.720 1.00 32.31 H new ATOM 0 HB3 MET A 99 12.423 -0.380 9.210 1.00 32.31 H new ATOM 0 HG2 MET A 99 12.011 -1.090 6.786 1.00 64.23 H new ATOM 0 HG3 MET A 99 11.919 0.609 6.367 1.00 64.23 H new ATOM 0 HE1 MET A 99 15.667 -1.628 7.850 1.00 71.13 H new ATOM 0 HE2 MET A 99 14.815 -0.677 9.090 1.00 71.13 H new ATOM 0 HE3 MET A 99 13.972 -1.998 8.246 1.00 71.13 H new ATOM 622 N GLU A 100 10.376 -2.446 9.100 1.00 22.02 N ATOM 623 CA GLU A 100 10.124 -3.878 8.800 1.00 62.24 C ATOM 624 C GLU A 100 8.614 -4.196 8.823 1.00 43.50 C ATOM 625 O GLU A 100 8.139 -5.056 8.079 1.00 51.10 O ATOM 626 CB GLU A 100 10.915 -4.782 9.783 1.00 51.31 C ATOM 627 CG GLU A 100 10.521 -4.617 11.263 1.00 72.00 C ATOM 628 CD GLU A 100 11.285 -5.544 12.220 1.00 20.12 C ATOM 629 OE1 GLU A 100 11.194 -6.778 12.050 1.00 13.13 O ATOM 630 OE2 GLU A 100 11.945 -5.056 13.163 1.00 70.35 O ATOM 0 H GLU A 100 10.874 -2.290 9.976 1.00 22.02 H new ATOM 0 HA GLU A 100 10.479 -4.087 7.791 1.00 62.24 H new ATOM 0 HB2 GLU A 100 10.770 -5.823 9.496 1.00 51.31 H new ATOM 0 HB3 GLU A 100 11.979 -4.568 9.678 1.00 51.31 H new ATOM 0 HG2 GLU A 100 10.693 -3.583 11.561 1.00 72.00 H new ATOM 0 HG3 GLU A 100 9.452 -4.805 11.367 1.00 72.00 H new ATOM 637 N ARG A 101 7.883 -3.458 9.673 1.00 41.11 N ATOM 638 CA ARG A 101 6.413 -3.466 9.731 1.00 43.12 C ATOM 639 C ARG A 101 5.820 -2.831 8.446 1.00 35.33 C ATOM 640 O ARG A 101 4.819 -3.321 7.907 1.00 70.53 O ATOM 641 CB ARG A 101 5.962 -2.710 11.022 1.00 31.13 C ATOM 642 CG ARG A 101 4.557 -2.090 10.990 1.00 72.32 C ATOM 643 CD ARG A 101 3.401 -3.104 10.948 1.00 72.41 C ATOM 644 NE ARG A 101 2.142 -2.403 10.688 1.00 24.23 N ATOM 645 CZ ARG A 101 0.928 -2.951 10.592 1.00 51.01 C ATOM 646 NH1 ARG A 101 0.741 -4.259 10.741 1.00 1.20 N ATOM 647 NH2 ARG A 101 -0.102 -2.158 10.353 1.00 3.40 N ATOM 0 H ARG A 101 8.306 -2.826 10.353 1.00 41.11 H new ATOM 0 HA ARG A 101 6.039 -4.489 9.778 1.00 43.12 H new ATOM 0 HB2 ARG A 101 6.011 -3.405 11.860 1.00 31.13 H new ATOM 0 HB3 ARG A 101 6.682 -1.917 11.223 1.00 31.13 H new ATOM 0 HG2 ARG A 101 4.435 -1.458 11.870 1.00 72.32 H new ATOM 0 HG3 ARG A 101 4.483 -1.440 10.118 1.00 72.32 H new ATOM 0 HD2 ARG A 101 3.583 -3.846 10.171 1.00 72.41 H new ATOM 0 HD3 ARG A 101 3.341 -3.642 11.894 1.00 72.41 H new ATOM 0 HE ARG A 101 2.198 -1.392 10.568 1.00 24.23 H new ATOM 0 HH11 ARG A 101 1.535 -4.869 10.934 1.00 1.20 H new ATOM 0 HH12 ARG A 101 -0.197 -4.652 10.663 1.00 1.20 H new ATOM 0 HH21 ARG A 101 0.041 -1.154 10.247 1.00 3.40 H new ATOM 0 HH22 ARG A 101 -1.040 -2.550 10.275 1.00 3.40 H new ATOM 661 N LEU A 102 6.460 -1.743 7.975 1.00 2.43 N ATOM 662 CA LEU A 102 6.019 -0.982 6.794 1.00 54.42 C ATOM 663 C LEU A 102 6.166 -1.864 5.537 1.00 32.41 C ATOM 664 O LEU A 102 5.274 -1.899 4.684 1.00 52.32 O ATOM 665 CB LEU A 102 6.843 0.342 6.670 1.00 70.12 C ATOM 666 CG LEU A 102 6.270 1.413 5.695 1.00 61.11 C ATOM 667 CD1 LEU A 102 4.875 1.854 6.126 1.00 24.33 C ATOM 668 CD2 LEU A 102 7.200 2.631 5.560 1.00 44.33 C ATOM 0 H LEU A 102 7.303 -1.366 8.408 1.00 2.43 H new ATOM 0 HA LEU A 102 4.970 -0.706 6.899 1.00 54.42 H new ATOM 0 HB2 LEU A 102 6.927 0.789 7.661 1.00 70.12 H new ATOM 0 HB3 LEU A 102 7.853 0.089 6.348 1.00 70.12 H new ATOM 0 HG LEU A 102 6.201 0.943 4.714 1.00 61.11 H new ATOM 0 HD11 LEU A 102 4.498 2.602 5.428 1.00 24.33 H new ATOM 0 HD12 LEU A 102 4.207 0.993 6.131 1.00 24.33 H new ATOM 0 HD13 LEU A 102 4.922 2.283 7.127 1.00 24.33 H new ATOM 0 HD21 LEU A 102 6.759 3.351 4.870 1.00 44.33 H new ATOM 0 HD22 LEU A 102 7.332 3.098 6.536 1.00 44.33 H new ATOM 0 HD23 LEU A 102 8.169 2.309 5.178 1.00 44.33 H new ATOM 680 N LYS A 103 7.300 -2.603 5.477 1.00 1.21 N ATOM 681 CA LYS A 103 7.580 -3.609 4.433 1.00 1.20 C ATOM 682 C LYS A 103 6.532 -4.738 4.494 1.00 43.31 C ATOM 683 O LYS A 103 5.972 -5.124 3.465 1.00 22.02 O ATOM 684 CB LYS A 103 9.012 -4.203 4.616 1.00 61.24 C ATOM 685 CG LYS A 103 10.166 -3.170 4.603 1.00 34.41 C ATOM 686 CD LYS A 103 10.388 -2.445 3.246 1.00 41.42 C ATOM 687 CE LYS A 103 11.248 -3.232 2.242 1.00 12.31 C ATOM 688 NZ LYS A 103 10.636 -4.522 1.835 1.00 41.32 N ATOM 0 H LYS A 103 8.052 -2.514 6.161 1.00 1.21 H new ATOM 0 HA LYS A 103 7.526 -3.122 3.459 1.00 1.20 H new ATOM 0 HB2 LYS A 103 9.044 -4.746 5.561 1.00 61.24 H new ATOM 0 HB3 LYS A 103 9.189 -4.930 3.824 1.00 61.24 H new ATOM 0 HG2 LYS A 103 9.970 -2.420 5.370 1.00 34.41 H new ATOM 0 HG3 LYS A 103 11.090 -3.677 4.881 1.00 34.41 H new ATOM 0 HD2 LYS A 103 9.418 -2.240 2.794 1.00 41.42 H new ATOM 0 HD3 LYS A 103 10.861 -1.481 3.435 1.00 41.42 H new ATOM 0 HE2 LYS A 103 11.413 -2.619 1.356 1.00 12.31 H new ATOM 0 HE3 LYS A 103 12.226 -3.424 2.683 1.00 12.31 H new ATOM 0 HZ1 LYS A 103 10.997 -4.798 0.900 1.00 41.32 H new ATOM 0 HZ2 LYS A 103 10.879 -5.256 2.530 1.00 41.32 H new ATOM 0 HZ3 LYS A 103 9.602 -4.417 1.790 1.00 41.32 H new ATOM 702 N ARG A 104 6.259 -5.222 5.730 1.00 74.20 N ATOM 703 CA ARG A 104 5.287 -6.305 6.000 1.00 42.11 C ATOM 704 C ARG A 104 3.873 -5.913 5.516 1.00 61.00 C ATOM 705 O ARG A 104 3.070 -6.780 5.140 1.00 62.12 O ATOM 706 CB ARG A 104 5.259 -6.627 7.525 1.00 43.32 C ATOM 707 CG ARG A 104 4.297 -7.767 7.938 1.00 62.41 C ATOM 708 CD ARG A 104 4.226 -7.994 9.459 1.00 13.15 C ATOM 709 NE ARG A 104 3.301 -9.101 9.797 1.00 53.23 N ATOM 710 CZ ARG A 104 2.640 -9.255 10.959 1.00 52.31 C ATOM 711 NH1 ARG A 104 2.769 -8.382 11.951 1.00 64.50 N ATOM 712 NH2 ARG A 104 1.869 -10.320 11.132 1.00 41.34 N ATOM 0 H ARG A 104 6.712 -4.868 6.573 1.00 74.20 H new ATOM 0 HA ARG A 104 5.602 -7.192 5.450 1.00 42.11 H new ATOM 0 HB2 ARG A 104 6.268 -6.891 7.843 1.00 43.32 H new ATOM 0 HB3 ARG A 104 4.980 -5.723 8.066 1.00 43.32 H new ATOM 0 HG2 ARG A 104 3.298 -7.540 7.566 1.00 62.41 H new ATOM 0 HG3 ARG A 104 4.615 -8.691 7.456 1.00 62.41 H new ATOM 0 HD2 ARG A 104 5.221 -8.220 9.842 1.00 13.15 H new ATOM 0 HD3 ARG A 104 3.896 -7.079 9.950 1.00 13.15 H new ATOM 0 HE ARG A 104 3.151 -9.813 9.082 1.00 53.23 H new ATOM 0 HH11 ARG A 104 3.380 -7.572 11.842 1.00 64.50 H new ATOM 0 HH12 ARG A 104 2.257 -8.521 12.822 1.00 64.50 H new ATOM 0 HH21 ARG A 104 1.782 -11.013 10.388 1.00 41.34 H new ATOM 0 HH22 ARG A 104 1.364 -10.447 12.009 1.00 41.34 H new ATOM 726 N GLY A 105 3.592 -4.590 5.557 1.00 53.31 N ATOM 727 CA GLY A 105 2.362 -4.027 5.014 1.00 73.34 C ATOM 728 C GLY A 105 2.154 -4.376 3.541 1.00 13.34 C ATOM 729 O GLY A 105 1.049 -4.711 3.148 1.00 31.51 O ATOM 0 H GLY A 105 4.217 -3.897 5.968 1.00 53.31 H new ATOM 0 HA2 GLY A 105 1.514 -4.392 5.593 1.00 73.34 H new ATOM 0 HA3 GLY A 105 2.382 -2.943 5.127 1.00 73.34 H new ATOM 733 N ILE A 106 3.237 -4.312 2.746 1.00 45.43 N ATOM 734 CA ILE A 106 3.207 -4.671 1.307 1.00 74.22 C ATOM 735 C ILE A 106 3.094 -6.211 1.112 1.00 71.13 C ATOM 736 O ILE A 106 2.454 -6.661 0.157 1.00 41.02 O ATOM 737 CB ILE A 106 4.459 -4.066 0.533 1.00 60.30 C ATOM 738 CG1 ILE A 106 4.311 -2.514 0.345 1.00 0.02 C ATOM 739 CG2 ILE A 106 4.741 -4.756 -0.830 1.00 2.43 C ATOM 740 CD1 ILE A 106 4.554 -1.669 1.579 1.00 53.02 C ATOM 0 H ILE A 106 4.155 -4.013 3.075 1.00 45.43 H new ATOM 0 HA ILE A 106 2.314 -4.224 0.871 1.00 74.22 H new ATOM 0 HB ILE A 106 5.324 -4.269 1.165 1.00 60.30 H new ATOM 0 HG12 ILE A 106 5.005 -2.194 -0.432 1.00 0.02 H new ATOM 0 HG13 ILE A 106 3.305 -2.307 -0.021 1.00 0.02 H new ATOM 0 HG21 ILE A 106 5.608 -4.292 -1.300 1.00 2.43 H new ATOM 0 HG22 ILE A 106 4.940 -5.815 -0.667 1.00 2.43 H new ATOM 0 HG23 ILE A 106 3.873 -4.646 -1.480 1.00 2.43 H new ATOM 0 HD11 ILE A 106 4.424 -0.616 1.330 1.00 53.02 H new ATOM 0 HD12 ILE A 106 3.843 -1.948 2.357 1.00 53.02 H new ATOM 0 HD13 ILE A 106 5.569 -1.834 1.939 1.00 53.02 H new ATOM 752 N ILE A 107 3.696 -7.005 2.032 1.00 0.10 N ATOM 753 CA ILE A 107 3.545 -8.490 2.043 1.00 13.20 C ATOM 754 C ILE A 107 2.046 -8.857 2.177 1.00 52.42 C ATOM 755 O ILE A 107 1.532 -9.734 1.474 1.00 53.00 O ATOM 756 CB ILE A 107 4.409 -9.180 3.200 1.00 51.24 C ATOM 757 CG1 ILE A 107 5.920 -9.321 2.787 1.00 54.43 C ATOM 758 CG2 ILE A 107 3.844 -10.564 3.631 1.00 2.11 C ATOM 759 CD1 ILE A 107 6.684 -8.022 2.605 1.00 51.31 C ATOM 0 H ILE A 107 4.292 -6.646 2.778 1.00 0.10 H new ATOM 0 HA ILE A 107 3.930 -8.875 1.099 1.00 13.20 H new ATOM 0 HB ILE A 107 4.339 -8.514 4.060 1.00 51.24 H new ATOM 0 HG12 ILE A 107 6.429 -9.916 3.545 1.00 54.43 H new ATOM 0 HG13 ILE A 107 5.970 -9.883 1.854 1.00 54.43 H new ATOM 0 HG21 ILE A 107 4.471 -10.984 4.418 1.00 2.11 H new ATOM 0 HG22 ILE A 107 2.827 -10.442 4.003 1.00 2.11 H new ATOM 0 HG23 ILE A 107 3.838 -11.237 2.774 1.00 2.11 H new ATOM 0 HD11 ILE A 107 7.713 -8.242 2.321 1.00 51.31 H new ATOM 0 HD12 ILE A 107 6.211 -7.428 1.823 1.00 51.31 H new ATOM 0 HD13 ILE A 107 6.677 -7.462 3.540 1.00 51.31 H new ATOM 771 N HIS A 108 1.364 -8.122 3.070 1.00 0.21 N ATOM 772 CA HIS A 108 -0.067 -8.289 3.343 1.00 30.34 C ATOM 773 C HIS A 108 -0.889 -7.765 2.143 1.00 74.45 C ATOM 774 O HIS A 108 -1.709 -8.494 1.577 1.00 1.24 O ATOM 775 CB HIS A 108 -0.443 -7.548 4.668 1.00 64.32 C ATOM 776 CG HIS A 108 -1.825 -7.837 5.213 1.00 14.43 C ATOM 777 ND1 HIS A 108 -2.187 -7.573 6.511 1.00 51.40 N ATOM 778 CD2 HIS A 108 -2.924 -8.369 4.639 1.00 44.54 C ATOM 779 CE1 HIS A 108 -3.445 -7.921 6.696 1.00 30.32 C ATOM 780 NE2 HIS A 108 -3.908 -8.408 5.577 1.00 1.30 N ATOM 0 H HIS A 108 1.799 -7.387 3.628 1.00 0.21 H new ATOM 0 HA HIS A 108 -0.299 -9.346 3.474 1.00 30.34 H new ATOM 0 HB2 HIS A 108 0.290 -7.811 5.430 1.00 64.32 H new ATOM 0 HB3 HIS A 108 -0.356 -6.475 4.499 1.00 64.32 H new ATOM 0 HD2 HIS A 108 -3.008 -8.704 3.616 1.00 44.54 H new ATOM 0 HE1 HIS A 108 -3.999 -7.820 7.618 1.00 30.32 H new ATOM 0 HE2 HIS A 108 -4.854 -8.760 5.430 1.00 1.30 H new ATOM 789 N ALA A 109 -0.589 -6.524 1.741 1.00 2.22 N ATOM 790 CA ALA A 109 -1.397 -5.751 0.787 1.00 24.33 C ATOM 791 C ALA A 109 -1.411 -6.378 -0.618 1.00 61.52 C ATOM 792 O ALA A 109 -2.474 -6.513 -1.224 1.00 51.12 O ATOM 793 CB ALA A 109 -0.897 -4.298 0.736 1.00 73.31 C ATOM 0 H ALA A 109 0.233 -6.020 2.073 1.00 2.22 H new ATOM 0 HA ALA A 109 -2.428 -5.765 1.141 1.00 24.33 H new ATOM 0 HB1 ALA A 109 -1.500 -3.730 0.027 1.00 73.31 H new ATOM 0 HB2 ALA A 109 -0.982 -3.849 1.726 1.00 73.31 H new ATOM 0 HB3 ALA A 109 0.146 -4.283 0.419 1.00 73.31 H new ATOM 799 N ARG A 110 -0.223 -6.781 -1.109 1.00 5.05 N ATOM 800 CA ARG A 110 -0.066 -7.358 -2.457 1.00 43.14 C ATOM 801 C ARG A 110 -0.673 -8.764 -2.519 1.00 22.02 C ATOM 802 O ARG A 110 -1.232 -9.158 -3.554 1.00 21.44 O ATOM 803 CB ARG A 110 1.433 -7.386 -2.876 1.00 73.42 C ATOM 804 CG ARG A 110 1.676 -7.935 -4.298 1.00 30.35 C ATOM 805 CD ARG A 110 3.114 -7.749 -4.801 1.00 3.44 C ATOM 806 NE ARG A 110 3.301 -8.363 -6.127 1.00 43.25 N ATOM 807 CZ ARG A 110 3.377 -7.706 -7.293 1.00 53.12 C ATOM 808 NH1 ARG A 110 3.293 -6.382 -7.351 1.00 42.03 N ATOM 809 NH2 ARG A 110 3.506 -8.392 -8.407 1.00 70.53 N ATOM 0 H ARG A 110 0.650 -6.716 -0.585 1.00 5.05 H new ATOM 0 HA ARG A 110 -0.603 -6.723 -3.162 1.00 43.14 H new ATOM 0 HB2 ARG A 110 1.836 -6.375 -2.814 1.00 73.42 H new ATOM 0 HB3 ARG A 110 1.988 -7.995 -2.162 1.00 73.42 H new ATOM 0 HG2 ARG A 110 1.431 -8.997 -4.313 1.00 30.35 H new ATOM 0 HG3 ARG A 110 0.993 -7.440 -4.989 1.00 30.35 H new ATOM 0 HD2 ARG A 110 3.348 -6.686 -4.854 1.00 3.44 H new ATOM 0 HD3 ARG A 110 3.811 -8.194 -4.090 1.00 3.44 H new ATOM 0 HE ARG A 110 3.380 -9.379 -6.161 1.00 43.25 H new ATOM 0 HH11 ARG A 110 3.168 -5.841 -6.495 1.00 42.03 H new ATOM 0 HH12 ARG A 110 3.354 -5.906 -8.251 1.00 42.03 H new ATOM 0 HH21 ARG A 110 3.547 -9.411 -8.377 1.00 70.53 H new ATOM 0 HH22 ARG A 110 3.565 -7.906 -9.302 1.00 70.53 H new ATOM 823 N ALA A 111 -0.592 -9.495 -1.383 1.00 30.53 N ATOM 824 CA ALA A 111 -1.164 -10.841 -1.271 1.00 63.42 C ATOM 825 C ALA A 111 -2.697 -10.771 -1.373 1.00 4.30 C ATOM 826 O ALA A 111 -3.308 -11.647 -1.966 1.00 3.43 O ATOM 827 CB ALA A 111 -0.729 -11.526 0.027 1.00 62.44 C ATOM 0 H ALA A 111 -0.133 -9.167 -0.533 1.00 30.53 H new ATOM 0 HA ALA A 111 -0.786 -11.445 -2.096 1.00 63.42 H new ATOM 0 HB1 ALA A 111 -1.170 -12.521 0.079 1.00 62.44 H new ATOM 0 HB2 ALA A 111 0.358 -11.609 0.048 1.00 62.44 H new ATOM 0 HB3 ALA A 111 -1.064 -10.936 0.880 1.00 62.44 H new ATOM 833 N LEU A 112 -3.280 -9.682 -0.836 1.00 11.52 N ATOM 834 CA LEU A 112 -4.729 -9.413 -0.931 1.00 64.42 C ATOM 835 C LEU A 112 -5.141 -9.169 -2.398 1.00 63.32 C ATOM 836 O LEU A 112 -6.086 -9.789 -2.879 1.00 54.22 O ATOM 837 CB LEU A 112 -5.127 -8.199 -0.050 1.00 12.23 C ATOM 838 CG LEU A 112 -4.972 -8.402 1.489 1.00 74.41 C ATOM 839 CD1 LEU A 112 -5.236 -7.094 2.248 1.00 74.20 C ATOM 840 CD2 LEU A 112 -5.878 -9.549 2.004 1.00 54.32 C ATOM 0 H LEU A 112 -2.763 -8.966 -0.326 1.00 11.52 H new ATOM 0 HA LEU A 112 -5.259 -10.291 -0.562 1.00 64.42 H new ATOM 0 HB2 LEU A 112 -4.522 -7.343 -0.348 1.00 12.23 H new ATOM 0 HB3 LEU A 112 -6.165 -7.944 -0.262 1.00 12.23 H new ATOM 0 HG LEU A 112 -3.940 -8.694 1.682 1.00 74.41 H new ATOM 0 HD11 LEU A 112 -5.121 -7.265 3.318 1.00 74.20 H new ATOM 0 HD12 LEU A 112 -4.524 -6.335 1.923 1.00 74.20 H new ATOM 0 HD13 LEU A 112 -6.250 -6.752 2.042 1.00 74.20 H new ATOM 0 HD21 LEU A 112 -5.745 -9.663 3.080 1.00 54.32 H new ATOM 0 HD22 LEU A 112 -6.921 -9.313 1.790 1.00 54.32 H new ATOM 0 HD23 LEU A 112 -5.607 -10.479 1.504 1.00 54.32 H new ATOM 852 N VAL A 113 -4.380 -8.299 -3.103 1.00 45.21 N ATOM 853 CA VAL A 113 -4.694 -7.897 -4.493 1.00 50.43 C ATOM 854 C VAL A 113 -4.654 -9.116 -5.443 1.00 32.33 C ATOM 855 O VAL A 113 -5.579 -9.314 -6.228 1.00 24.22 O ATOM 856 CB VAL A 113 -3.723 -6.773 -5.035 1.00 10.54 C ATOM 857 CG1 VAL A 113 -4.143 -6.299 -6.454 1.00 73.21 C ATOM 858 CG2 VAL A 113 -3.641 -5.572 -4.070 1.00 74.51 C ATOM 0 H VAL A 113 -3.539 -7.860 -2.728 1.00 45.21 H new ATOM 0 HA VAL A 113 -5.702 -7.484 -4.471 1.00 50.43 H new ATOM 0 HB VAL A 113 -2.730 -7.218 -5.101 1.00 10.54 H new ATOM 0 HG11 VAL A 113 -3.455 -5.526 -6.798 1.00 73.21 H new ATOM 0 HG12 VAL A 113 -4.114 -7.143 -7.143 1.00 73.21 H new ATOM 0 HG13 VAL A 113 -5.155 -5.895 -6.418 1.00 73.21 H new ATOM 0 HG21 VAL A 113 -2.964 -4.822 -4.479 1.00 74.51 H new ATOM 0 HG22 VAL A 113 -4.632 -5.136 -3.946 1.00 74.51 H new ATOM 0 HG23 VAL A 113 -3.269 -5.908 -3.102 1.00 74.51 H new ATOM 868 N ARG A 114 -3.588 -9.941 -5.312 1.00 64.03 N ATOM 869 CA ARG A 114 -3.309 -11.063 -6.238 1.00 0.24 C ATOM 870 C ARG A 114 -4.403 -12.159 -6.174 1.00 31.22 C ATOM 871 O ARG A 114 -4.807 -12.704 -7.203 1.00 43.23 O ATOM 872 CB ARG A 114 -1.872 -11.650 -5.980 1.00 4.15 C ATOM 873 CG ARG A 114 -1.617 -12.303 -4.583 1.00 51.23 C ATOM 874 CD ARG A 114 -1.958 -13.823 -4.485 1.00 2.24 C ATOM 875 NE ARG A 114 -2.246 -14.269 -3.105 1.00 72.52 N ATOM 876 CZ ARG A 114 -2.193 -15.543 -2.665 1.00 64.40 C ATOM 877 NH1 ARG A 114 -1.836 -16.543 -3.472 1.00 1.24 N ATOM 878 NH2 ARG A 114 -2.567 -15.826 -1.427 1.00 54.35 N ATOM 0 H ARG A 114 -2.900 -9.848 -4.564 1.00 64.03 H new ATOM 0 HA ARG A 114 -3.332 -10.668 -7.254 1.00 0.24 H new ATOM 0 HB2 ARG A 114 -1.668 -12.398 -6.747 1.00 4.15 H new ATOM 0 HB3 ARG A 114 -1.148 -10.847 -6.117 1.00 4.15 H new ATOM 0 HG2 ARG A 114 -0.568 -12.165 -4.322 1.00 51.23 H new ATOM 0 HG3 ARG A 114 -2.204 -11.767 -3.837 1.00 51.23 H new ATOM 0 HD2 ARG A 114 -2.821 -14.036 -5.116 1.00 2.24 H new ATOM 0 HD3 ARG A 114 -1.123 -14.402 -4.880 1.00 2.24 H new ATOM 0 HE ARG A 114 -2.507 -13.552 -2.428 1.00 72.52 H new ATOM 0 HH11 ARG A 114 -1.596 -16.352 -4.445 1.00 1.24 H new ATOM 0 HH12 ARG A 114 -1.803 -17.498 -3.116 1.00 1.24 H new ATOM 0 HH21 ARG A 114 -2.894 -15.082 -0.810 1.00 54.35 H new ATOM 0 HH22 ARG A 114 -2.529 -16.788 -1.090 1.00 54.35 H new ATOM 1319 N THR B 75 -5.524 -3.840 -11.298 1.00 41.23 N ATOM 1320 CA THR B 75 -4.199 -4.445 -11.577 1.00 10.22 C ATOM 1321 C THR B 75 -3.108 -3.344 -11.558 1.00 64.24 C ATOM 1322 O THR B 75 -1.928 -3.618 -11.283 1.00 13.12 O ATOM 1323 CB THR B 75 -4.221 -5.226 -12.930 1.00 31.24 C ATOM 1324 OG1 THR B 75 -5.305 -6.174 -12.895 1.00 63.43 O ATOM 1325 CG2 THR B 75 -2.909 -5.991 -13.214 1.00 52.22 C ATOM 0 HA THR B 75 -3.961 -5.169 -10.798 1.00 10.22 H new ATOM 0 HB THR B 75 -4.346 -4.491 -13.725 1.00 31.24 H new ATOM 0 HG1 THR B 75 -6.041 -5.809 -12.361 1.00 63.43 H new ATOM 0 HG21 THR B 75 -2.991 -6.512 -14.168 1.00 52.22 H new ATOM 0 HG22 THR B 75 -2.078 -5.286 -13.255 1.00 52.22 H new ATOM 0 HG23 THR B 75 -2.731 -6.716 -12.419 1.00 52.22 H new ATOM 1333 N ASP B 76 -3.537 -2.090 -11.851 1.00 44.14 N ATOM 1334 CA ASP B 76 -2.730 -0.875 -11.620 1.00 71.31 C ATOM 1335 C ASP B 76 -2.316 -0.799 -10.132 1.00 63.24 C ATOM 1336 O ASP B 76 -1.165 -0.491 -9.817 1.00 74.04 O ATOM 1337 CB ASP B 76 -3.523 0.400 -12.028 1.00 51.10 C ATOM 1338 CG ASP B 76 -2.710 1.703 -11.841 1.00 0.55 C ATOM 1339 OD1 ASP B 76 -1.890 2.033 -12.727 1.00 22.24 O ATOM 1340 OD2 ASP B 76 -2.880 2.401 -10.820 1.00 51.41 O ATOM 0 H ASP B 76 -4.454 -1.898 -12.254 1.00 44.14 H new ATOM 0 HA ASP B 76 -1.834 -0.927 -12.238 1.00 71.31 H new ATOM 0 HB2 ASP B 76 -3.826 0.314 -13.071 1.00 51.10 H new ATOM 0 HB3 ASP B 76 -4.435 0.459 -11.435 1.00 51.10 H new ATOM 1345 N LEU B 77 -3.279 -1.138 -9.244 1.00 70.04 N ATOM 1346 CA LEU B 77 -3.084 -1.165 -7.781 1.00 23.23 C ATOM 1347 C LEU B 77 -1.998 -2.180 -7.361 1.00 22.31 C ATOM 1348 O LEU B 77 -1.176 -1.860 -6.503 1.00 11.03 O ATOM 1349 CB LEU B 77 -4.428 -1.468 -7.072 1.00 53.33 C ATOM 1350 CG LEU B 77 -4.391 -1.612 -5.513 1.00 13.21 C ATOM 1351 CD1 LEU B 77 -3.829 -0.348 -4.825 1.00 71.03 C ATOM 1352 CD2 LEU B 77 -5.784 -1.967 -4.968 1.00 44.00 C ATOM 0 H LEU B 77 -4.222 -1.403 -9.529 1.00 70.04 H new ATOM 0 HA LEU B 77 -2.734 -0.180 -7.472 1.00 23.23 H new ATOM 0 HB2 LEU B 77 -5.130 -0.673 -7.322 1.00 53.33 H new ATOM 0 HB3 LEU B 77 -4.830 -2.392 -7.488 1.00 53.33 H new ATOM 0 HG LEU B 77 -3.710 -2.430 -5.277 1.00 13.21 H new ATOM 0 HD11 LEU B 77 -3.822 -0.494 -3.745 1.00 71.03 H new ATOM 0 HD12 LEU B 77 -2.812 -0.166 -5.173 1.00 71.03 H new ATOM 0 HD13 LEU B 77 -4.455 0.509 -5.071 1.00 71.03 H new ATOM 0 HD21 LEU B 77 -5.737 -2.063 -3.883 1.00 44.00 H new ATOM 0 HD22 LEU B 77 -6.490 -1.180 -5.233 1.00 44.00 H new ATOM 0 HD23 LEU B 77 -6.115 -2.911 -5.401 1.00 44.00 H new ATOM 1364 N LEU B 78 -1.991 -3.383 -7.992 1.00 55.31 N ATOM 1365 CA LEU B 78 -0.990 -4.454 -7.720 1.00 61.21 C ATOM 1366 C LEU B 78 0.453 -3.904 -7.857 1.00 4.14 C ATOM 1367 O LEU B 78 1.343 -4.222 -7.048 1.00 13.11 O ATOM 1368 CB LEU B 78 -1.206 -5.648 -8.700 1.00 44.53 C ATOM 1369 CG LEU B 78 -0.313 -6.920 -8.471 1.00 4.30 C ATOM 1370 CD1 LEU B 78 -0.629 -7.601 -7.125 1.00 31.13 C ATOM 1371 CD2 LEU B 78 -0.438 -7.920 -9.642 1.00 30.12 C ATOM 0 H LEU B 78 -2.676 -3.640 -8.702 1.00 55.31 H new ATOM 0 HA LEU B 78 -1.128 -4.804 -6.697 1.00 61.21 H new ATOM 0 HB2 LEU B 78 -2.251 -5.951 -8.641 1.00 44.53 H new ATOM 0 HB3 LEU B 78 -1.034 -5.290 -9.715 1.00 44.53 H new ATOM 0 HG LEU B 78 0.722 -6.581 -8.434 1.00 4.30 H new ATOM 0 HD11 LEU B 78 0.008 -8.477 -7.002 1.00 31.13 H new ATOM 0 HD12 LEU B 78 -0.444 -6.900 -6.311 1.00 31.13 H new ATOM 0 HD13 LEU B 78 -1.675 -7.908 -7.109 1.00 31.13 H new ATOM 0 HD21 LEU B 78 0.193 -8.787 -9.449 1.00 30.12 H new ATOM 0 HD22 LEU B 78 -1.475 -8.241 -9.738 1.00 30.12 H new ATOM 0 HD23 LEU B 78 -0.120 -7.439 -10.567 1.00 30.12 H new ATOM 1383 N SER B 79 0.636 -3.051 -8.883 1.00 23.10 N ATOM 1384 CA SER B 79 1.904 -2.359 -9.157 1.00 64.12 C ATOM 1385 C SER B 79 2.250 -1.337 -8.056 1.00 63.44 C ATOM 1386 O SER B 79 3.392 -1.286 -7.599 1.00 22.00 O ATOM 1387 CB SER B 79 1.822 -1.649 -10.520 1.00 15.22 C ATOM 1388 OG SER B 79 1.421 -2.551 -11.525 1.00 12.11 O ATOM 0 H SER B 79 -0.101 -2.823 -9.550 1.00 23.10 H new ATOM 0 HA SER B 79 2.696 -3.108 -9.174 1.00 64.12 H new ATOM 0 HB2 SER B 79 1.115 -0.821 -10.463 1.00 15.22 H new ATOM 0 HB3 SER B 79 2.793 -1.222 -10.773 1.00 15.22 H new ATOM 0 HG SER B 79 1.372 -2.083 -12.384 1.00 12.11 H new ATOM 1394 N VAL B 80 1.241 -0.546 -7.632 1.00 33.31 N ATOM 1395 CA VAL B 80 1.418 0.548 -6.648 1.00 34.31 C ATOM 1396 C VAL B 80 1.887 -0.008 -5.294 1.00 11.30 C ATOM 1397 O VAL B 80 2.743 0.604 -4.638 1.00 35.31 O ATOM 1398 CB VAL B 80 0.095 1.387 -6.448 1.00 12.25 C ATOM 1399 CG1 VAL B 80 0.290 2.581 -5.470 1.00 61.20 C ATOM 1400 CG2 VAL B 80 -0.440 1.877 -7.806 1.00 1.40 C ATOM 0 H VAL B 80 0.281 -0.646 -7.961 1.00 33.31 H new ATOM 0 HA VAL B 80 2.181 1.214 -7.050 1.00 34.31 H new ATOM 0 HB VAL B 80 -0.641 0.724 -5.994 1.00 12.25 H new ATOM 0 HG11 VAL B 80 -0.649 3.125 -5.368 1.00 61.20 H new ATOM 0 HG12 VAL B 80 0.600 2.206 -4.495 1.00 61.20 H new ATOM 0 HG13 VAL B 80 1.056 3.250 -5.861 1.00 61.20 H new ATOM 0 HG21 VAL B 80 -1.352 2.454 -7.651 1.00 1.40 H new ATOM 0 HG22 VAL B 80 0.309 2.506 -8.287 1.00 1.40 H new ATOM 0 HG23 VAL B 80 -0.657 1.019 -8.443 1.00 1.40 H new ATOM 1410 N ILE B 81 1.317 -1.173 -4.892 1.00 50.11 N ATOM 1411 CA ILE B 81 1.714 -1.885 -3.662 1.00 52.02 C ATOM 1412 C ILE B 81 3.230 -2.176 -3.675 1.00 61.12 C ATOM 1413 O ILE B 81 3.955 -1.845 -2.732 1.00 23.43 O ATOM 1414 CB ILE B 81 0.937 -3.245 -3.457 1.00 55.23 C ATOM 1415 CG1 ILE B 81 -0.614 -3.090 -3.618 1.00 63.44 C ATOM 1416 CG2 ILE B 81 1.280 -3.829 -2.071 1.00 55.42 C ATOM 1417 CD1 ILE B 81 -1.279 -2.127 -2.653 1.00 2.40 C ATOM 0 H ILE B 81 0.573 -1.639 -5.412 1.00 50.11 H new ATOM 0 HA ILE B 81 1.457 -1.225 -2.833 1.00 52.02 H new ATOM 0 HB ILE B 81 1.261 -3.929 -4.241 1.00 55.23 H new ATOM 0 HG12 ILE B 81 -0.825 -2.760 -4.635 1.00 63.44 H new ATOM 0 HG13 ILE B 81 -1.074 -4.071 -3.499 1.00 63.44 H new ATOM 0 HG21 ILE B 81 0.744 -4.767 -1.929 1.00 55.42 H new ATOM 0 HG22 ILE B 81 2.353 -4.011 -2.008 1.00 55.42 H new ATOM 0 HG23 ILE B 81 0.986 -3.122 -1.295 1.00 55.42 H new ATOM 0 HD11 ILE B 81 -2.350 -2.095 -2.851 1.00 2.40 H new ATOM 0 HD12 ILE B 81 -1.109 -2.462 -1.630 1.00 2.40 H new ATOM 0 HD13 ILE B 81 -0.856 -1.131 -2.784 1.00 2.40 H new ATOM 1429 N GLU B 82 3.674 -2.763 -4.801 1.00 1.52 N ATOM 1430 CA GLU B 82 5.072 -3.142 -5.040 1.00 51.51 C ATOM 1431 C GLU B 82 5.994 -1.909 -4.985 1.00 73.40 C ATOM 1432 O GLU B 82 7.045 -1.958 -4.339 1.00 32.21 O ATOM 1433 CB GLU B 82 5.170 -3.857 -6.405 1.00 35.45 C ATOM 1434 CG GLU B 82 6.579 -4.312 -6.817 1.00 31.23 C ATOM 1435 CD GLU B 82 6.580 -5.059 -8.158 1.00 62.42 C ATOM 1436 OE1 GLU B 82 6.474 -4.396 -9.210 1.00 14.31 O ATOM 1437 OE2 GLU B 82 6.679 -6.306 -8.175 1.00 1.34 O ATOM 0 H GLU B 82 3.058 -2.990 -5.582 1.00 1.52 H new ATOM 0 HA GLU B 82 5.404 -3.823 -4.256 1.00 51.51 H new ATOM 0 HB2 GLU B 82 4.517 -4.730 -6.385 1.00 35.45 H new ATOM 0 HB3 GLU B 82 4.784 -3.188 -7.174 1.00 35.45 H new ATOM 0 HG2 GLU B 82 7.233 -3.443 -6.887 1.00 31.23 H new ATOM 0 HG3 GLU B 82 6.991 -4.959 -6.043 1.00 31.23 H new ATOM 1444 N GLU B 83 5.545 -0.797 -5.615 1.00 74.33 N ATOM 1445 CA GLU B 83 6.311 0.461 -5.685 1.00 64.33 C ATOM 1446 C GLU B 83 6.554 1.038 -4.290 1.00 40.25 C ATOM 1447 O GLU B 83 7.654 1.499 -4.003 1.00 21.23 O ATOM 1448 CB GLU B 83 5.596 1.508 -6.583 1.00 3.43 C ATOM 1449 CG GLU B 83 5.531 1.138 -8.075 1.00 23.34 C ATOM 1450 CD GLU B 83 6.918 0.823 -8.674 1.00 11.50 C ATOM 1451 OE1 GLU B 83 7.687 1.766 -8.948 1.00 12.45 O ATOM 1452 OE2 GLU B 83 7.247 -0.360 -8.869 1.00 42.24 O ATOM 0 H GLU B 83 4.642 -0.752 -6.087 1.00 74.33 H new ATOM 0 HA GLU B 83 7.276 0.228 -6.134 1.00 64.33 H new ATOM 0 HB2 GLU B 83 4.581 1.651 -6.213 1.00 3.43 H new ATOM 0 HB3 GLU B 83 6.109 2.464 -6.482 1.00 3.43 H new ATOM 0 HG2 GLU B 83 4.880 0.273 -8.202 1.00 23.34 H new ATOM 0 HG3 GLU B 83 5.079 1.961 -8.629 1.00 23.34 H new ATOM 1459 N MET B 84 5.516 1.005 -3.431 1.00 33.43 N ATOM 1460 CA MET B 84 5.637 1.431 -2.032 1.00 25.51 C ATOM 1461 C MET B 84 6.722 0.604 -1.320 1.00 4.13 C ATOM 1462 O MET B 84 7.660 1.172 -0.771 1.00 35.15 O ATOM 1463 CB MET B 84 4.262 1.354 -1.306 1.00 35.15 C ATOM 1464 CG MET B 84 3.205 2.307 -1.885 1.00 65.15 C ATOM 1465 SD MET B 84 1.642 2.298 -0.975 1.00 4.21 S ATOM 1466 CE MET B 84 1.026 0.641 -1.232 1.00 32.51 C ATOM 0 H MET B 84 4.582 0.685 -3.688 1.00 33.43 H new ATOM 0 HA MET B 84 5.947 2.475 -2.003 1.00 25.51 H new ATOM 0 HB2 MET B 84 3.887 0.332 -1.363 1.00 35.15 H new ATOM 0 HB3 MET B 84 4.405 1.582 -0.250 1.00 35.15 H new ATOM 0 HG2 MET B 84 3.606 3.320 -1.890 1.00 65.15 H new ATOM 0 HG3 MET B 84 3.013 2.035 -2.923 1.00 65.15 H new ATOM 0 HE1 MET B 84 0.193 0.454 -0.555 1.00 32.51 H new ATOM 0 HE2 MET B 84 0.687 0.535 -2.263 1.00 32.51 H new ATOM 0 HE3 MET B 84 1.822 -0.078 -1.036 1.00 32.51 H new ATOM 1476 N GLY B 85 6.635 -0.739 -1.460 1.00 42.45 N ATOM 1477 CA GLY B 85 7.587 -1.680 -0.836 1.00 55.23 C ATOM 1478 C GLY B 85 9.046 -1.460 -1.241 1.00 40.32 C ATOM 1479 O GLY B 85 9.967 -1.808 -0.493 1.00 75.25 O ATOM 0 H GLY B 85 5.906 -1.197 -2.007 1.00 42.45 H new ATOM 0 HA2 GLY B 85 7.506 -1.595 0.248 1.00 55.23 H new ATOM 0 HA3 GLY B 85 7.299 -2.698 -1.099 1.00 55.23 H new ATOM 1483 N LYS B 86 9.242 -0.864 -2.427 1.00 53.24 N ATOM 1484 CA LYS B 86 10.566 -0.549 -2.981 1.00 20.12 C ATOM 1485 C LYS B 86 11.058 0.791 -2.414 1.00 72.34 C ATOM 1486 O LYS B 86 12.186 0.906 -1.929 1.00 2.54 O ATOM 1487 CB LYS B 86 10.472 -0.482 -4.534 1.00 52.42 C ATOM 1488 CG LYS B 86 10.098 -1.825 -5.219 1.00 45.24 C ATOM 1489 CD LYS B 86 9.631 -1.640 -6.683 1.00 1.52 C ATOM 1490 CE LYS B 86 10.696 -1.003 -7.595 1.00 43.34 C ATOM 1491 NZ LYS B 86 10.123 -0.556 -8.896 1.00 74.44 N ATOM 0 H LYS B 86 8.474 -0.584 -3.036 1.00 53.24 H new ATOM 0 HA LYS B 86 11.277 -1.327 -2.702 1.00 20.12 H new ATOM 0 HB2 LYS B 86 9.731 0.269 -4.808 1.00 52.42 H new ATOM 0 HB3 LYS B 86 11.430 -0.143 -4.928 1.00 52.42 H new ATOM 0 HG2 LYS B 86 10.961 -2.491 -5.199 1.00 45.24 H new ATOM 0 HG3 LYS B 86 9.307 -2.311 -4.648 1.00 45.24 H new ATOM 0 HD2 LYS B 86 9.349 -2.611 -7.091 1.00 1.52 H new ATOM 0 HD3 LYS B 86 8.736 -1.018 -6.694 1.00 1.52 H new ATOM 0 HE2 LYS B 86 11.147 -0.151 -7.086 1.00 43.34 H new ATOM 0 HE3 LYS B 86 11.494 -1.723 -7.779 1.00 43.34 H new ATOM 0 HZ1 LYS B 86 10.406 -1.219 -9.646 1.00 74.44 H new ATOM 0 HZ2 LYS B 86 9.085 -0.532 -8.828 1.00 74.44 H new ATOM 0 HZ3 LYS B 86 10.477 0.395 -9.123 1.00 74.44 H new ATOM 1505 N GLU B 87 10.149 1.787 -2.431 1.00 70.13 N ATOM 1506 CA GLU B 87 10.469 3.198 -2.135 1.00 1.41 C ATOM 1507 C GLU B 87 10.402 3.509 -0.629 1.00 54.41 C ATOM 1508 O GLU B 87 10.506 4.669 -0.232 1.00 12.22 O ATOM 1509 CB GLU B 87 9.542 4.123 -2.980 1.00 21.23 C ATOM 1510 CG GLU B 87 9.657 3.852 -4.498 1.00 35.44 C ATOM 1511 CD GLU B 87 8.873 4.820 -5.390 1.00 54.12 C ATOM 1512 OE1 GLU B 87 7.663 4.603 -5.622 1.00 30.43 O ATOM 1513 OE2 GLU B 87 9.476 5.791 -5.898 1.00 44.25 O ATOM 0 H GLU B 87 9.165 1.633 -2.652 1.00 70.13 H new ATOM 0 HA GLU B 87 11.503 3.391 -2.420 1.00 1.41 H new ATOM 0 HB2 GLU B 87 8.508 3.980 -2.666 1.00 21.23 H new ATOM 0 HB3 GLU B 87 9.794 5.164 -2.780 1.00 21.23 H new ATOM 0 HG2 GLU B 87 10.709 3.893 -4.780 1.00 35.44 H new ATOM 0 HG3 GLU B 87 9.312 2.837 -4.698 1.00 35.44 H new ATOM 1520 N ILE B 88 10.250 2.454 0.196 1.00 54.44 N ATOM 1521 CA ILE B 88 10.458 2.527 1.655 1.00 64.32 C ATOM 1522 C ILE B 88 11.961 2.683 1.969 1.00 60.13 C ATOM 1523 O ILE B 88 12.328 3.395 2.908 1.00 50.34 O ATOM 1524 CB ILE B 88 9.873 1.253 2.394 1.00 63.33 C ATOM 1525 CG1 ILE B 88 8.324 1.195 2.230 1.00 75.53 C ATOM 1526 CG2 ILE B 88 10.265 1.212 3.901 1.00 62.04 C ATOM 1527 CD1 ILE B 88 7.674 -0.097 2.680 1.00 30.12 C ATOM 0 H ILE B 88 9.979 1.527 -0.131 1.00 54.44 H new ATOM 0 HA ILE B 88 9.920 3.400 2.025 1.00 64.32 H new ATOM 0 HB ILE B 88 10.315 0.375 1.924 1.00 63.33 H new ATOM 0 HG12 ILE B 88 7.884 2.019 2.792 1.00 75.53 H new ATOM 0 HG13 ILE B 88 8.080 1.359 1.180 1.00 75.53 H new ATOM 0 HG21 ILE B 88 9.841 0.321 4.363 1.00 62.04 H new ATOM 0 HG22 ILE B 88 11.351 1.187 3.994 1.00 62.04 H new ATOM 0 HG23 ILE B 88 9.878 2.100 4.402 1.00 62.04 H new ATOM 0 HD11 ILE B 88 6.597 -0.036 2.524 1.00 30.12 H new ATOM 0 HD12 ILE B 88 8.078 -0.928 2.102 1.00 30.12 H new ATOM 0 HD13 ILE B 88 7.879 -0.258 3.738 1.00 30.12 H new ATOM 1539 N ARG B 89 12.827 2.037 1.153 1.00 4.34 N ATOM 1540 CA ARG B 89 14.275 1.978 1.422 1.00 70.33 C ATOM 1541 C ARG B 89 14.955 3.386 1.361 1.00 53.41 C ATOM 1542 O ARG B 89 15.656 3.747 2.318 1.00 60.42 O ATOM 1543 CB ARG B 89 14.986 0.958 0.483 1.00 10.21 C ATOM 1544 CG ARG B 89 16.458 0.682 0.859 1.00 21.50 C ATOM 1545 CD ARG B 89 16.586 0.116 2.288 1.00 2.11 C ATOM 1546 NE ARG B 89 17.980 -0.122 2.695 1.00 23.20 N ATOM 1547 CZ ARG B 89 18.355 -0.641 3.875 1.00 11.10 C ATOM 1548 NH1 ARG B 89 17.443 -0.984 4.792 1.00 44.22 N ATOM 1549 NH2 ARG B 89 19.646 -0.811 4.137 1.00 24.35 N ATOM 0 H ARG B 89 12.543 1.550 0.303 1.00 4.34 H new ATOM 0 HA ARG B 89 14.389 1.624 2.446 1.00 70.33 H new ATOM 0 HB2 ARG B 89 14.435 0.018 0.500 1.00 10.21 H new ATOM 0 HB3 ARG B 89 14.947 1.332 -0.540 1.00 10.21 H new ATOM 0 HG2 ARG B 89 16.889 -0.023 0.148 1.00 21.50 H new ATOM 0 HG3 ARG B 89 17.033 1.605 0.780 1.00 21.50 H new ATOM 0 HD2 ARG B 89 16.123 0.810 2.989 1.00 2.11 H new ATOM 0 HD3 ARG B 89 16.031 -0.820 2.352 1.00 2.11 H new ATOM 0 HE ARG B 89 18.715 0.125 2.032 1.00 23.20 H new ATOM 0 HH11 ARG B 89 16.450 -0.852 4.598 1.00 44.22 H new ATOM 0 HH12 ARG B 89 17.740 -1.377 5.685 1.00 44.22 H new ATOM 0 HH21 ARG B 89 20.346 -0.548 3.444 1.00 24.35 H new ATOM 0 HH22 ARG B 89 19.937 -1.205 5.032 1.00 24.35 H new ATOM 1563 N PRO B 90 14.776 4.214 0.254 1.00 14.12 N ATOM 1564 CA PRO B 90 15.348 5.589 0.215 1.00 32.42 C ATOM 1565 C PRO B 90 14.712 6.518 1.286 1.00 55.04 C ATOM 1566 O PRO B 90 15.408 7.354 1.865 1.00 12.02 O ATOM 1567 CB PRO B 90 15.082 6.059 -1.242 1.00 64.52 C ATOM 1568 CG PRO B 90 13.934 5.222 -1.722 1.00 64.14 C ATOM 1569 CD PRO B 90 14.077 3.885 -1.028 1.00 51.50 C ATOM 0 HA PRO B 90 16.410 5.614 0.460 1.00 32.42 H new ATOM 0 HB2 PRO B 90 14.836 7.120 -1.275 1.00 64.52 H new ATOM 0 HB3 PRO B 90 15.962 5.916 -1.869 1.00 64.52 H new ATOM 0 HG2 PRO B 90 12.980 5.689 -1.477 1.00 64.14 H new ATOM 0 HG3 PRO B 90 13.962 5.105 -2.805 1.00 64.14 H new ATOM 0 HD2 PRO B 90 13.106 3.424 -0.846 1.00 51.50 H new ATOM 0 HD3 PRO B 90 14.655 3.183 -1.629 1.00 51.50 H new ATOM 1577 N THR B 91 13.399 6.330 1.561 1.00 3.15 N ATOM 1578 CA THR B 91 12.667 7.055 2.635 1.00 20.13 C ATOM 1579 C THR B 91 13.358 6.843 4.003 1.00 25.32 C ATOM 1580 O THR B 91 13.662 7.802 4.725 1.00 2.52 O ATOM 1581 CB THR B 91 11.180 6.579 2.706 1.00 72.41 C ATOM 1582 OG1 THR B 91 10.523 6.912 1.479 1.00 3.52 O ATOM 1583 CG2 THR B 91 10.397 7.190 3.888 1.00 20.24 C ATOM 0 H THR B 91 12.815 5.672 1.046 1.00 3.15 H new ATOM 0 HA THR B 91 12.682 8.119 2.397 1.00 20.13 H new ATOM 0 HB THR B 91 11.197 5.501 2.865 1.00 72.41 H new ATOM 0 HG1 THR B 91 10.506 6.127 0.893 1.00 3.52 H new ATOM 0 HG21 THR B 91 9.373 6.817 3.877 1.00 20.24 H new ATOM 0 HG22 THR B 91 10.876 6.909 4.826 1.00 20.24 H new ATOM 0 HG23 THR B 91 10.389 8.276 3.796 1.00 20.24 H new ATOM 1591 N TYR B 92 13.639 5.567 4.306 1.00 64.13 N ATOM 1592 CA TYR B 92 14.316 5.149 5.535 1.00 5.13 C ATOM 1593 C TYR B 92 15.755 5.708 5.581 1.00 33.23 C ATOM 1594 O TYR B 92 16.270 6.025 6.657 1.00 13.02 O ATOM 1595 CB TYR B 92 14.328 3.597 5.635 1.00 14.51 C ATOM 1596 CG TYR B 92 14.964 3.073 6.932 1.00 20.13 C ATOM 1597 CD1 TYR B 92 14.283 3.175 8.146 1.00 74.40 C ATOM 1598 CD2 TYR B 92 16.245 2.512 6.953 1.00 62.30 C ATOM 1599 CE1 TYR B 92 14.846 2.740 9.321 1.00 1.30 C ATOM 1600 CE2 TYR B 92 16.818 2.081 8.135 1.00 3.31 C ATOM 1601 CZ TYR B 92 16.113 2.193 9.315 1.00 64.24 C ATOM 1602 OH TYR B 92 16.683 1.782 10.498 1.00 24.20 O ATOM 0 H TYR B 92 13.397 4.788 3.693 1.00 64.13 H new ATOM 0 HA TYR B 92 13.770 5.550 6.389 1.00 5.13 H new ATOM 0 HB2 TYR B 92 13.305 3.228 5.566 1.00 14.51 H new ATOM 0 HB3 TYR B 92 14.871 3.190 4.782 1.00 14.51 H new ATOM 0 HD1 TYR B 92 13.292 3.605 8.162 1.00 74.40 H new ATOM 0 HD2 TYR B 92 16.796 2.414 6.030 1.00 62.30 H new ATOM 0 HE1 TYR B 92 14.298 2.826 10.248 1.00 1.30 H new ATOM 0 HE2 TYR B 92 17.812 1.659 8.134 1.00 3.31 H new ATOM 0 HH TYR B 92 16.382 2.365 11.226 1.00 24.20 H new ATOM 1612 N ALA B 93 16.377 5.841 4.393 1.00 63.41 N ATOM 1613 CA ALA B 93 17.761 6.327 4.245 1.00 54.43 C ATOM 1614 C ALA B 93 17.885 7.846 4.505 1.00 10.41 C ATOM 1615 O ALA B 93 18.998 8.346 4.665 1.00 40.32 O ATOM 1616 CB ALA B 93 18.283 5.969 2.839 1.00 24.40 C ATOM 0 H ALA B 93 15.930 5.613 3.505 1.00 63.41 H new ATOM 0 HA ALA B 93 18.372 5.833 5.001 1.00 54.43 H new ATOM 0 HB1 ALA B 93 19.306 6.328 2.728 1.00 24.40 H new ATOM 0 HB2 ALA B 93 18.262 4.887 2.708 1.00 24.40 H new ATOM 0 HB3 ALA B 93 17.650 6.439 2.086 1.00 24.40 H new ATOM 1622 N GLY B 94 16.744 8.571 4.586 1.00 40.43 N ATOM 1623 CA GLY B 94 16.751 10.032 4.791 1.00 42.24 C ATOM 1624 C GLY B 94 16.221 10.832 3.618 1.00 44.35 C ATOM 1625 O GLY B 94 16.057 12.054 3.738 1.00 74.11 O ATOM 0 H GLY B 94 15.811 8.165 4.512 1.00 40.43 H new ATOM 0 HA2 GLY B 94 16.155 10.266 5.673 1.00 42.24 H new ATOM 0 HA3 GLY B 94 17.771 10.352 5.002 1.00 42.24 H new ATOM 1629 N SER B 95 15.962 10.165 2.485 1.00 33.14 N ATOM 1630 CA SER B 95 15.465 10.823 1.270 1.00 33.43 C ATOM 1631 C SER B 95 13.993 11.256 1.437 1.00 4.54 C ATOM 1632 O SER B 95 13.079 10.430 1.352 1.00 32.12 O ATOM 1633 CB SER B 95 15.627 9.886 0.055 1.00 44.11 C ATOM 1634 OG SER B 95 16.953 9.417 -0.035 1.00 74.14 O ATOM 0 H SER B 95 16.091 9.158 2.385 1.00 33.14 H new ATOM 0 HA SER B 95 16.057 11.722 1.098 1.00 33.43 H new ATOM 0 HB2 SER B 95 14.942 9.043 0.145 1.00 44.11 H new ATOM 0 HB3 SER B 95 15.360 10.417 -0.859 1.00 44.11 H new ATOM 0 HG SER B 95 17.038 8.823 -0.810 1.00 74.14 H new ATOM 1640 N LYS B 96 13.806 12.553 1.746 1.00 21.53 N ATOM 1641 CA LYS B 96 12.480 13.201 1.864 1.00 53.11 C ATOM 1642 C LYS B 96 11.729 13.247 0.522 1.00 25.41 C ATOM 1643 O LYS B 96 10.494 13.217 0.507 1.00 71.24 O ATOM 1644 CB LYS B 96 12.579 14.631 2.496 1.00 31.54 C ATOM 1645 CG LYS B 96 13.283 15.752 1.664 1.00 62.31 C ATOM 1646 CD LYS B 96 14.810 15.557 1.488 1.00 52.34 C ATOM 1647 CE LYS B 96 15.572 15.393 2.820 1.00 50.42 C ATOM 1648 NZ LYS B 96 15.437 16.567 3.708 1.00 3.01 N ATOM 0 H LYS B 96 14.581 13.192 1.924 1.00 21.53 H new ATOM 0 HA LYS B 96 11.898 12.577 2.542 1.00 53.11 H new ATOM 0 HB2 LYS B 96 11.567 14.968 2.721 1.00 31.54 H new ATOM 0 HB3 LYS B 96 13.104 14.541 3.447 1.00 31.54 H new ATOM 0 HG2 LYS B 96 12.820 15.801 0.679 1.00 62.31 H new ATOM 0 HG3 LYS B 96 13.105 16.712 2.148 1.00 62.31 H new ATOM 0 HD2 LYS B 96 14.986 14.678 0.868 1.00 52.34 H new ATOM 0 HD3 LYS B 96 15.217 16.413 0.950 1.00 52.34 H new ATOM 0 HE2 LYS B 96 15.202 14.508 3.338 1.00 50.42 H new ATOM 0 HE3 LYS B 96 16.628 15.222 2.610 1.00 50.42 H new ATOM 0 HZ1 LYS B 96 15.969 16.401 4.586 1.00 3.01 H new ATOM 0 HZ2 LYS B 96 15.814 17.410 3.229 1.00 3.01 H new ATOM 0 HZ3 LYS B 96 14.433 16.718 3.934 1.00 3.01 H new ATOM 1662 N SER B 97 12.480 13.313 -0.595 1.00 2.31 N ATOM 1663 CA SER B 97 11.905 13.240 -1.951 1.00 5.03 C ATOM 1664 C SER B 97 11.210 11.873 -2.162 1.00 3.23 C ATOM 1665 O SER B 97 10.157 11.792 -2.802 1.00 24.03 O ATOM 1666 CB SER B 97 12.998 13.472 -3.022 1.00 71.40 C ATOM 1667 OG SER B 97 13.693 14.688 -2.796 1.00 11.53 O ATOM 0 H SER B 97 13.495 13.418 -0.583 1.00 2.31 H new ATOM 0 HA SER B 97 11.159 14.028 -2.056 1.00 5.03 H new ATOM 0 HB2 SER B 97 13.703 12.641 -3.011 1.00 71.40 H new ATOM 0 HB3 SER B 97 12.542 13.490 -4.012 1.00 71.40 H new ATOM 0 HG SER B 97 14.378 14.807 -3.487 1.00 11.53 H new ATOM 1673 N ALA B 98 11.816 10.804 -1.608 1.00 33.33 N ATOM 1674 CA ALA B 98 11.238 9.455 -1.623 1.00 75.35 C ATOM 1675 C ALA B 98 10.089 9.320 -0.612 1.00 74.34 C ATOM 1676 O ALA B 98 9.157 8.559 -0.846 1.00 3.13 O ATOM 1677 CB ALA B 98 12.324 8.419 -1.334 1.00 40.51 C ATOM 0 H ALA B 98 12.720 10.857 -1.139 1.00 33.33 H new ATOM 0 HA ALA B 98 10.825 9.277 -2.616 1.00 75.35 H new ATOM 0 HB1 ALA B 98 11.887 7.421 -1.347 1.00 40.51 H new ATOM 0 HB2 ALA B 98 13.101 8.485 -2.095 1.00 40.51 H new ATOM 0 HB3 ALA B 98 12.759 8.612 -0.353 1.00 40.51 H new ATOM 1683 N MET B 99 10.179 10.059 0.516 1.00 42.34 N ATOM 1684 CA MET B 99 9.161 10.041 1.591 1.00 34.15 C ATOM 1685 C MET B 99 7.813 10.605 1.108 1.00 72.11 C ATOM 1686 O MET B 99 6.776 9.989 1.337 1.00 32.34 O ATOM 1687 CB MET B 99 9.657 10.839 2.824 1.00 42.04 C ATOM 1688 CG MET B 99 8.640 10.945 3.973 1.00 21.53 C ATOM 1689 SD MET B 99 9.206 11.996 5.325 1.00 65.41 S ATOM 1690 CE MET B 99 9.507 13.566 4.524 1.00 21.51 C ATOM 0 H MET B 99 10.961 10.686 0.707 1.00 42.34 H new ATOM 0 HA MET B 99 9.008 9.000 1.876 1.00 34.15 H new ATOM 0 HB2 MET B 99 10.565 10.369 3.203 1.00 42.04 H new ATOM 0 HB3 MET B 99 9.929 11.845 2.503 1.00 42.04 H new ATOM 0 HG2 MET B 99 7.701 11.338 3.584 1.00 21.53 H new ATOM 0 HG3 MET B 99 8.432 9.947 4.359 1.00 21.53 H new ATOM 0 HE1 MET B 99 9.167 14.375 5.170 1.00 21.51 H new ATOM 0 HE2 MET B 99 10.574 13.678 4.333 1.00 21.51 H new ATOM 0 HE3 MET B 99 8.963 13.603 3.580 1.00 21.51 H new ATOM 1700 N GLU B 100 7.849 11.784 0.453 1.00 44.53 N ATOM 1701 CA GLU B 100 6.644 12.430 -0.114 1.00 21.21 C ATOM 1702 C GLU B 100 6.024 11.551 -1.225 1.00 1.35 C ATOM 1703 O GLU B 100 4.808 11.533 -1.411 1.00 4.33 O ATOM 1704 CB GLU B 100 6.981 13.844 -0.661 1.00 54.23 C ATOM 1705 CG GLU B 100 8.056 13.860 -1.758 1.00 25.24 C ATOM 1706 CD GLU B 100 8.386 15.258 -2.292 1.00 51.02 C ATOM 1707 OE1 GLU B 100 9.126 15.997 -1.623 1.00 70.34 O ATOM 1708 OE2 GLU B 100 7.913 15.625 -3.384 1.00 22.40 O ATOM 0 H GLU B 100 8.708 12.313 0.302 1.00 44.53 H new ATOM 0 HA GLU B 100 5.911 12.540 0.685 1.00 21.21 H new ATOM 0 HB2 GLU B 100 6.070 14.294 -1.055 1.00 54.23 H new ATOM 0 HB3 GLU B 100 7.314 14.471 0.166 1.00 54.23 H new ATOM 0 HG2 GLU B 100 8.967 13.409 -1.365 1.00 25.24 H new ATOM 0 HG3 GLU B 100 7.723 13.236 -2.587 1.00 25.24 H new ATOM 1715 N ARG B 101 6.900 10.823 -1.937 1.00 34.43 N ATOM 1716 CA ARG B 101 6.528 9.845 -2.967 1.00 50.44 C ATOM 1717 C ARG B 101 5.904 8.576 -2.331 1.00 25.31 C ATOM 1718 O ARG B 101 4.980 7.989 -2.891 1.00 60.31 O ATOM 1719 CB ARG B 101 7.802 9.508 -3.791 1.00 20.44 C ATOM 1720 CG ARG B 101 7.699 8.309 -4.754 1.00 33.32 C ATOM 1721 CD ARG B 101 6.761 8.530 -5.951 1.00 51.21 C ATOM 1722 NE ARG B 101 6.682 7.315 -6.779 1.00 23.30 N ATOM 1723 CZ ARG B 101 5.894 7.138 -7.850 1.00 0.42 C ATOM 1724 NH1 ARG B 101 5.084 8.105 -8.287 1.00 51.12 N ATOM 1725 NH2 ARG B 101 5.899 5.968 -8.461 1.00 5.51 N ATOM 0 H ARG B 101 7.909 10.902 -1.808 1.00 34.43 H new ATOM 0 HA ARG B 101 5.768 10.264 -3.626 1.00 50.44 H new ATOM 0 HB2 ARG B 101 8.077 10.389 -4.371 1.00 20.44 H new ATOM 0 HB3 ARG B 101 8.619 9.318 -3.095 1.00 20.44 H new ATOM 0 HG2 ARG B 101 8.695 8.074 -5.128 1.00 33.32 H new ATOM 0 HG3 ARG B 101 7.355 7.439 -4.195 1.00 33.32 H new ATOM 0 HD2 ARG B 101 5.766 8.800 -5.596 1.00 51.21 H new ATOM 0 HD3 ARG B 101 7.121 9.364 -6.553 1.00 51.21 H new ATOM 0 HE ARG B 101 7.283 6.535 -6.513 1.00 23.30 H new ATOM 0 HH11 ARG B 101 5.055 9.003 -7.804 1.00 51.12 H new ATOM 0 HH12 ARG B 101 4.494 7.946 -9.104 1.00 51.12 H new ATOM 0 HH21 ARG B 101 6.496 5.216 -8.117 1.00 5.51 H new ATOM 0 HH22 ARG B 101 5.306 5.816 -9.277 1.00 5.51 H new ATOM 1739 N LEU B 102 6.405 8.180 -1.148 1.00 63.34 N ATOM 1740 CA LEU B 102 5.938 6.972 -0.435 1.00 51.44 C ATOM 1741 C LEU B 102 4.554 7.239 0.189 1.00 22.52 C ATOM 1742 O LEU B 102 3.662 6.388 0.138 1.00 1.41 O ATOM 1743 CB LEU B 102 6.970 6.557 0.653 1.00 65.11 C ATOM 1744 CG LEU B 102 6.674 5.220 1.399 1.00 64.22 C ATOM 1745 CD1 LEU B 102 6.577 4.039 0.420 1.00 32.15 C ATOM 1746 CD2 LEU B 102 7.717 4.944 2.499 1.00 35.32 C ATOM 0 H LEU B 102 7.143 8.685 -0.658 1.00 63.34 H new ATOM 0 HA LEU B 102 5.845 6.148 -1.143 1.00 51.44 H new ATOM 0 HB2 LEU B 102 7.951 6.479 0.185 1.00 65.11 H new ATOM 0 HB3 LEU B 102 7.032 7.356 1.391 1.00 65.11 H new ATOM 0 HG LEU B 102 5.704 5.329 1.884 1.00 64.22 H new ATOM 0 HD11 LEU B 102 6.370 3.123 0.974 1.00 32.15 H new ATOM 0 HD12 LEU B 102 5.772 4.222 -0.292 1.00 32.15 H new ATOM 0 HD13 LEU B 102 7.520 3.933 -0.117 1.00 32.15 H new ATOM 0 HD21 LEU B 102 7.480 4.004 2.998 1.00 35.32 H new ATOM 0 HD22 LEU B 102 8.709 4.877 2.052 1.00 35.32 H new ATOM 0 HD23 LEU B 102 7.702 5.755 3.227 1.00 35.32 H new ATOM 1758 N LYS B 103 4.404 8.450 0.764 1.00 30.45 N ATOM 1759 CA LYS B 103 3.121 8.988 1.254 1.00 51.34 C ATOM 1760 C LYS B 103 2.096 9.047 0.108 1.00 72.31 C ATOM 1761 O LYS B 103 0.946 8.646 0.279 1.00 1.13 O ATOM 1762 CB LYS B 103 3.347 10.404 1.863 1.00 12.10 C ATOM 1763 CG LYS B 103 4.075 10.418 3.232 1.00 33.15 C ATOM 1764 CD LYS B 103 3.211 9.863 4.391 1.00 52.42 C ATOM 1765 CE LYS B 103 1.958 10.714 4.648 1.00 21.15 C ATOM 1766 NZ LYS B 103 1.137 10.190 5.764 1.00 43.05 N ATOM 0 H LYS B 103 5.185 9.091 0.903 1.00 30.45 H new ATOM 0 HA LYS B 103 2.727 8.330 2.029 1.00 51.34 H new ATOM 0 HB2 LYS B 103 3.923 11.000 1.155 1.00 12.10 H new ATOM 0 HB3 LYS B 103 2.380 10.893 1.978 1.00 12.10 H new ATOM 0 HG2 LYS B 103 4.989 9.829 3.156 1.00 33.15 H new ATOM 0 HG3 LYS B 103 4.373 11.440 3.467 1.00 33.15 H new ATOM 0 HD2 LYS B 103 2.911 8.841 4.160 1.00 52.42 H new ATOM 0 HD3 LYS B 103 3.811 9.821 5.300 1.00 52.42 H new ATOM 0 HE2 LYS B 103 2.257 11.738 4.871 1.00 21.15 H new ATOM 0 HE3 LYS B 103 1.354 10.749 3.741 1.00 21.15 H new ATOM 0 HZ1 LYS B 103 0.129 10.287 5.528 1.00 43.05 H new ATOM 0 HZ2 LYS B 103 1.362 9.186 5.919 1.00 43.05 H new ATOM 0 HZ3 LYS B 103 1.344 10.728 6.630 1.00 43.05 H new ATOM 1780 N ARG B 104 2.562 9.529 -1.063 1.00 62.30 N ATOM 1781 CA ARG B 104 1.772 9.592 -2.308 1.00 53.35 C ATOM 1782 C ARG B 104 1.338 8.184 -2.752 1.00 60.51 C ATOM 1783 O ARG B 104 0.270 8.024 -3.345 1.00 54.43 O ATOM 1784 CB ARG B 104 2.624 10.267 -3.418 1.00 61.32 C ATOM 1785 CG ARG B 104 2.003 10.281 -4.830 1.00 13.44 C ATOM 1786 CD ARG B 104 2.911 10.953 -5.868 1.00 2.13 C ATOM 1787 NE ARG B 104 2.382 10.808 -7.234 1.00 21.52 N ATOM 1788 CZ ARG B 104 2.744 11.549 -8.289 1.00 11.44 C ATOM 1789 NH1 ARG B 104 3.635 12.527 -8.162 1.00 24.43 N ATOM 1790 NH2 ARG B 104 2.223 11.293 -9.476 1.00 23.22 N ATOM 0 H ARG B 104 3.510 9.890 -1.171 1.00 62.30 H new ATOM 0 HA ARG B 104 0.872 10.180 -2.129 1.00 53.35 H new ATOM 0 HB2 ARG B 104 2.824 11.296 -3.120 1.00 61.32 H new ATOM 0 HB3 ARG B 104 3.586 9.758 -3.471 1.00 61.32 H new ATOM 0 HG2 ARG B 104 1.797 9.257 -5.142 1.00 13.44 H new ATOM 0 HG3 ARG B 104 1.047 10.803 -4.797 1.00 13.44 H new ATOM 0 HD2 ARG B 104 3.015 12.011 -5.629 1.00 2.13 H new ATOM 0 HD3 ARG B 104 3.908 10.515 -5.816 1.00 2.13 H new ATOM 0 HE ARG B 104 1.682 10.083 -7.390 1.00 21.52 H new ATOM 0 HH11 ARG B 104 4.053 12.721 -7.252 1.00 24.43 H new ATOM 0 HH12 ARG B 104 3.901 13.083 -8.975 1.00 24.43 H new ATOM 0 HH21 ARG B 104 1.549 10.535 -9.585 1.00 23.22 H new ATOM 0 HH22 ARG B 104 2.494 11.854 -10.284 1.00 23.22 H new ATOM 1804 N GLY B 105 2.210 7.188 -2.471 1.00 5.53 N ATOM 1805 CA GLY B 105 1.909 5.783 -2.713 1.00 22.21 C ATOM 1806 C GLY B 105 0.638 5.327 -2.020 1.00 31.10 C ATOM 1807 O GLY B 105 -0.182 4.647 -2.629 1.00 4.43 O ATOM 0 H GLY B 105 3.135 7.349 -2.072 1.00 5.53 H new ATOM 0 HA2 GLY B 105 1.813 5.616 -3.786 1.00 22.21 H new ATOM 0 HA3 GLY B 105 2.744 5.173 -2.369 1.00 22.21 H new ATOM 1811 N ILE B 106 0.482 5.733 -0.748 1.00 14.32 N ATOM 1812 CA ILE B 106 -0.703 5.399 0.064 1.00 12.05 C ATOM 1813 C ILE B 106 -1.930 6.252 -0.346 1.00 3.53 C ATOM 1814 O ILE B 106 -3.048 5.743 -0.357 1.00 23.14 O ATOM 1815 CB ILE B 106 -0.392 5.520 1.616 1.00 61.33 C ATOM 1816 CG1 ILE B 106 0.422 4.272 2.122 1.00 45.41 C ATOM 1817 CG2 ILE B 106 -1.670 5.728 2.483 1.00 62.21 C ATOM 1818 CD1 ILE B 106 1.850 4.145 1.621 1.00 53.35 C ATOM 0 H ILE B 106 1.171 6.300 -0.254 1.00 14.32 H new ATOM 0 HA ILE B 106 -0.956 4.358 -0.134 1.00 12.05 H new ATOM 0 HB ILE B 106 0.216 6.417 1.738 1.00 61.33 H new ATOM 0 HG12 ILE B 106 0.444 4.298 3.211 1.00 45.41 H new ATOM 0 HG13 ILE B 106 -0.121 3.372 1.836 1.00 45.41 H new ATOM 0 HG21 ILE B 106 -1.389 5.803 3.533 1.00 62.21 H new ATOM 0 HG22 ILE B 106 -2.173 6.645 2.176 1.00 62.21 H new ATOM 0 HG23 ILE B 106 -2.343 4.882 2.347 1.00 62.21 H new ATOM 0 HD11 ILE B 106 2.304 3.247 2.039 1.00 53.35 H new ATOM 0 HD12 ILE B 106 1.849 4.078 0.533 1.00 53.35 H new ATOM 0 HD13 ILE B 106 2.423 5.019 1.930 1.00 53.35 H new ATOM 1830 N ILE B 107 -1.707 7.536 -0.701 1.00 4.34 N ATOM 1831 CA ILE B 107 -2.790 8.434 -1.185 1.00 13.14 C ATOM 1832 C ILE B 107 -3.408 7.856 -2.483 1.00 45.32 C ATOM 1833 O ILE B 107 -4.624 7.900 -2.695 1.00 30.31 O ATOM 1834 CB ILE B 107 -2.264 9.905 -1.433 1.00 30.03 C ATOM 1835 CG1 ILE B 107 -1.633 10.491 -0.128 1.00 61.22 C ATOM 1836 CG2 ILE B 107 -3.392 10.833 -1.963 1.00 22.01 C ATOM 1837 CD1 ILE B 107 -0.987 11.859 -0.286 1.00 50.42 C ATOM 0 H ILE B 107 -0.789 7.978 -0.663 1.00 4.34 H new ATOM 0 HA ILE B 107 -3.555 8.488 -0.411 1.00 13.14 H new ATOM 0 HB ILE B 107 -1.491 9.855 -2.200 1.00 30.03 H new ATOM 0 HG12 ILE B 107 -2.409 10.558 0.635 1.00 61.22 H new ATOM 0 HG13 ILE B 107 -0.883 9.792 0.241 1.00 61.22 H new ATOM 0 HG21 ILE B 107 -2.994 11.835 -2.122 1.00 22.01 H new ATOM 0 HG22 ILE B 107 -3.773 10.440 -2.906 1.00 22.01 H new ATOM 0 HG23 ILE B 107 -4.201 10.875 -1.234 1.00 22.01 H new ATOM 0 HD11 ILE B 107 -0.578 12.181 0.672 1.00 50.42 H new ATOM 0 HD12 ILE B 107 -0.185 11.800 -1.022 1.00 50.42 H new ATOM 0 HD13 ILE B 107 -1.735 12.578 -0.622 1.00 50.42 H new ATOM 1849 N HIS B 108 -2.535 7.280 -3.318 1.00 72.45 N ATOM 1850 CA HIS B 108 -2.912 6.659 -4.594 1.00 40.43 C ATOM 1851 C HIS B 108 -3.540 5.275 -4.367 1.00 3.52 C ATOM 1852 O HIS B 108 -4.605 4.992 -4.910 1.00 62.40 O ATOM 1853 CB HIS B 108 -1.676 6.550 -5.521 1.00 54.14 C ATOM 1854 CG HIS B 108 -1.960 6.045 -6.911 1.00 20.05 C ATOM 1855 ND1 HIS B 108 -1.053 5.308 -7.637 1.00 43.20 N ATOM 1856 CD2 HIS B 108 -3.033 6.210 -7.724 1.00 21.41 C ATOM 1857 CE1 HIS B 108 -1.552 5.046 -8.823 1.00 64.21 C ATOM 1858 NE2 HIS B 108 -2.747 5.577 -8.898 1.00 31.11 N ATOM 0 H HIS B 108 -1.535 7.231 -3.124 1.00 72.45 H new ATOM 0 HA HIS B 108 -3.657 7.291 -5.076 1.00 40.43 H new ATOM 0 HB2 HIS B 108 -1.211 7.533 -5.597 1.00 54.14 H new ATOM 0 HB3 HIS B 108 -0.948 5.888 -5.053 1.00 54.14 H new ATOM 0 HD2 HIS B 108 -3.942 6.742 -7.487 1.00 21.41 H new ATOM 0 HE1 HIS B 108 -1.060 4.487 -9.605 1.00 64.21 H new ATOM 0 HE2 HIS B 108 -3.366 5.525 -9.707 1.00 31.11 H new ATOM 1867 N ALA B 109 -2.881 4.437 -3.547 1.00 61.23 N ATOM 1868 CA ALA B 109 -3.286 3.033 -3.345 1.00 62.42 C ATOM 1869 C ALA B 109 -4.643 2.938 -2.634 1.00 24.52 C ATOM 1870 O ALA B 109 -5.505 2.175 -3.057 1.00 43.24 O ATOM 1871 CB ALA B 109 -2.209 2.270 -2.567 1.00 1.02 C ATOM 0 H ALA B 109 -2.059 4.710 -3.009 1.00 61.23 H new ATOM 0 HA ALA B 109 -3.396 2.572 -4.327 1.00 62.42 H new ATOM 0 HB1 ALA B 109 -2.525 1.236 -2.427 1.00 1.02 H new ATOM 0 HB2 ALA B 109 -1.273 2.291 -3.125 1.00 1.02 H new ATOM 0 HB3 ALA B 109 -2.062 2.739 -1.594 1.00 1.02 H new ATOM 1877 N ARG B 110 -4.827 3.777 -1.588 1.00 4.45 N ATOM 1878 CA ARG B 110 -6.061 3.811 -0.767 1.00 0.25 C ATOM 1879 C ARG B 110 -7.235 4.337 -1.618 1.00 13.40 C ATOM 1880 O ARG B 110 -8.385 3.967 -1.395 1.00 1.20 O ATOM 1881 CB ARG B 110 -5.850 4.707 0.499 1.00 5.32 C ATOM 1882 CG ARG B 110 -6.913 4.544 1.615 1.00 20.33 C ATOM 1883 CD ARG B 110 -6.794 5.617 2.723 1.00 74.25 C ATOM 1884 NE ARG B 110 -6.986 6.979 2.189 1.00 31.31 N ATOM 1885 CZ ARG B 110 -7.756 7.948 2.730 1.00 54.24 C ATOM 1886 NH1 ARG B 110 -8.428 7.744 3.860 1.00 51.23 N ATOM 1887 NH2 ARG B 110 -7.864 9.117 2.112 1.00 45.32 N ATOM 0 H ARG B 110 -4.122 4.451 -1.289 1.00 4.45 H new ATOM 0 HA ARG B 110 -6.295 2.801 -0.430 1.00 0.25 H new ATOM 0 HB2 ARG B 110 -4.869 4.486 0.920 1.00 5.32 H new ATOM 0 HB3 ARG B 110 -5.834 5.751 0.186 1.00 5.32 H new ATOM 0 HG2 ARG B 110 -7.908 4.595 1.172 1.00 20.33 H new ATOM 0 HG3 ARG B 110 -6.814 3.555 2.062 1.00 20.33 H new ATOM 0 HD2 ARG B 110 -7.535 5.423 3.498 1.00 74.25 H new ATOM 0 HD3 ARG B 110 -5.814 5.546 3.194 1.00 74.25 H new ATOM 0 HE ARG B 110 -6.490 7.211 1.329 1.00 31.31 H new ATOM 0 HH11 ARG B 110 -8.367 6.843 4.334 1.00 51.23 H new ATOM 0 HH12 ARG B 110 -9.004 8.489 4.252 1.00 51.23 H new ATOM 0 HH21 ARG B 110 -7.368 9.278 1.236 1.00 45.32 H new ATOM 0 HH22 ARG B 110 -8.443 9.854 2.513 1.00 45.32 H new ATOM 1901 N ALA B 111 -6.899 5.197 -2.607 1.00 42.23 N ATOM 1902 CA ALA B 111 -7.855 5.732 -3.587 1.00 41.24 C ATOM 1903 C ALA B 111 -8.306 4.634 -4.562 1.00 72.33 C ATOM 1904 O ALA B 111 -9.495 4.524 -4.868 1.00 61.44 O ATOM 1905 CB ALA B 111 -7.226 6.902 -4.354 1.00 22.13 C ATOM 0 H ALA B 111 -5.947 5.538 -2.743 1.00 42.23 H new ATOM 0 HA ALA B 111 -8.733 6.094 -3.051 1.00 41.24 H new ATOM 0 HB1 ALA B 111 -7.943 7.290 -5.077 1.00 22.13 H new ATOM 0 HB2 ALA B 111 -6.953 7.691 -3.654 1.00 22.13 H new ATOM 0 HB3 ALA B 111 -6.334 6.557 -4.877 1.00 22.13 H new ATOM 1911 N LEU B 112 -7.330 3.816 -5.015 1.00 63.22 N ATOM 1912 CA LEU B 112 -7.579 2.694 -5.946 1.00 20.51 C ATOM 1913 C LEU B 112 -8.429 1.604 -5.275 1.00 51.52 C ATOM 1914 O LEU B 112 -9.209 0.923 -5.945 1.00 53.32 O ATOM 1915 CB LEU B 112 -6.247 2.102 -6.471 1.00 71.11 C ATOM 1916 CG LEU B 112 -5.375 3.067 -7.331 1.00 43.14 C ATOM 1917 CD1 LEU B 112 -4.041 2.415 -7.714 1.00 20.42 C ATOM 1918 CD2 LEU B 112 -6.136 3.559 -8.580 1.00 74.23 C ATOM 0 H LEU B 112 -6.351 3.915 -4.746 1.00 63.22 H new ATOM 0 HA LEU B 112 -8.135 3.084 -6.798 1.00 20.51 H new ATOM 0 HB2 LEU B 112 -5.656 1.770 -5.617 1.00 71.11 H new ATOM 0 HB3 LEU B 112 -6.473 1.217 -7.066 1.00 71.11 H new ATOM 0 HG LEU B 112 -5.155 3.942 -6.719 1.00 43.14 H new ATOM 0 HD11 LEU B 112 -3.454 3.111 -8.313 1.00 20.42 H new ATOM 0 HD12 LEU B 112 -3.488 2.159 -6.810 1.00 20.42 H new ATOM 0 HD13 LEU B 112 -4.231 1.510 -8.291 1.00 20.42 H new ATOM 0 HD21 LEU B 112 -5.497 4.229 -9.155 1.00 74.23 H new ATOM 0 HD22 LEU B 112 -6.414 2.704 -9.197 1.00 74.23 H new ATOM 0 HD23 LEU B 112 -7.036 4.091 -8.272 1.00 74.23 H new ATOM 1930 N VAL B 113 -8.262 1.458 -3.947 1.00 5.52 N ATOM 1931 CA VAL B 113 -9.098 0.566 -3.134 1.00 42.45 C ATOM 1932 C VAL B 113 -10.506 1.174 -2.979 1.00 21.15 C ATOM 1933 O VAL B 113 -11.501 0.485 -3.179 1.00 54.32 O ATOM 1934 CB VAL B 113 -8.469 0.282 -1.712 1.00 14.54 C ATOM 1935 CG1 VAL B 113 -9.345 -0.702 -0.902 1.00 24.21 C ATOM 1936 CG2 VAL B 113 -7.023 -0.253 -1.823 1.00 33.04 C ATOM 0 H VAL B 113 -7.547 1.953 -3.414 1.00 5.52 H new ATOM 0 HA VAL B 113 -9.161 -0.390 -3.653 1.00 42.45 H new ATOM 0 HB VAL B 113 -8.435 1.233 -1.181 1.00 14.54 H new ATOM 0 HG11 VAL B 113 -8.888 -0.879 0.072 1.00 24.21 H new ATOM 0 HG12 VAL B 113 -10.339 -0.276 -0.764 1.00 24.21 H new ATOM 0 HG13 VAL B 113 -9.426 -1.646 -1.442 1.00 24.21 H new ATOM 0 HG21 VAL B 113 -6.625 -0.436 -0.825 1.00 33.04 H new ATOM 0 HG22 VAL B 113 -7.022 -1.184 -2.390 1.00 33.04 H new ATOM 0 HG23 VAL B 113 -6.401 0.483 -2.332 1.00 33.04 H new ATOM 1946 N ARG B 114 -10.555 2.493 -2.689 1.00 71.12 N ATOM 1947 CA ARG B 114 -11.803 3.239 -2.394 1.00 21.03 C ATOM 1948 C ARG B 114 -12.809 3.172 -3.570 1.00 31.14 C ATOM 1949 O ARG B 114 -14.000 2.888 -3.368 1.00 75.21 O ATOM 1950 CB ARG B 114 -11.452 4.716 -2.049 1.00 50.40 C ATOM 1951 CG ARG B 114 -12.666 5.624 -1.738 1.00 51.11 C ATOM 1952 CD ARG B 114 -13.546 5.077 -0.598 1.00 65.33 C ATOM 1953 NE ARG B 114 -14.787 5.854 -0.409 1.00 52.22 N ATOM 1954 CZ ARG B 114 -15.981 5.546 -0.941 1.00 52.22 C ATOM 1955 NH1 ARG B 114 -16.134 4.474 -1.717 1.00 34.01 N ATOM 1956 NH2 ARG B 114 -17.029 6.309 -0.672 1.00 13.11 N ATOM 0 H ARG B 114 -9.720 3.078 -2.652 1.00 71.12 H new ATOM 0 HA ARG B 114 -12.288 2.771 -1.538 1.00 21.03 H new ATOM 0 HB2 ARG B 114 -10.783 4.723 -1.188 1.00 50.40 H new ATOM 0 HB3 ARG B 114 -10.900 5.147 -2.885 1.00 50.40 H new ATOM 0 HG2 ARG B 114 -12.310 6.619 -1.470 1.00 51.11 H new ATOM 0 HG3 ARG B 114 -13.272 5.733 -2.638 1.00 51.11 H new ATOM 0 HD2 ARG B 114 -13.802 4.039 -0.809 1.00 65.33 H new ATOM 0 HD3 ARG B 114 -12.975 5.082 0.330 1.00 65.33 H new ATOM 0 HE ARG B 114 -14.733 6.691 0.172 1.00 52.22 H new ATOM 0 HH11 ARG B 114 -15.336 3.871 -1.916 1.00 34.01 H new ATOM 0 HH12 ARG B 114 -17.049 4.257 -2.112 1.00 34.01 H new ATOM 0 HH21 ARG B 114 -16.925 7.123 -0.065 1.00 13.11 H new ATOM 0 HH22 ARG B 114 -17.940 6.083 -1.071 1.00 13.11 H new ATOM 1970 N GLU B 115 -12.308 3.448 -4.783 1.00 52.03 N ATOM 1971 CA GLU B 115 -13.111 3.398 -6.018 1.00 73.30 C ATOM 1972 C GLU B 115 -13.510 1.945 -6.352 1.00 72.33 C ATOM 1973 O GLU B 115 -14.618 1.701 -6.849 1.00 52.41 O ATOM 1974 CB GLU B 115 -12.330 4.053 -7.185 1.00 71.50 C ATOM 1975 CG GLU B 115 -10.999 3.358 -7.537 1.00 62.21 C ATOM 1976 CD GLU B 115 -10.122 4.172 -8.505 1.00 44.21 C ATOM 1977 OE1 GLU B 115 -9.321 5.013 -8.041 1.00 43.33 O ATOM 1978 OE2 GLU B 115 -10.245 3.989 -9.734 1.00 32.24 O ATOM 0 H GLU B 115 -11.335 3.712 -4.938 1.00 52.03 H new ATOM 0 HA GLU B 115 -14.031 3.962 -5.865 1.00 73.30 H new ATOM 0 HB2 GLU B 115 -12.966 4.062 -8.071 1.00 71.50 H new ATOM 0 HB3 GLU B 115 -12.125 5.093 -6.930 1.00 71.50 H new ATOM 0 HG2 GLU B 115 -10.440 3.174 -6.620 1.00 62.21 H new ATOM 0 HG3 GLU B 115 -11.212 2.386 -7.981 1.00 62.21 H new ATOM 1985 N CYS B 116 -12.605 0.985 -6.055 1.00 13.43 N ATOM 1986 CA CYS B 116 -12.839 -0.441 -6.315 1.00 62.21 C ATOM 1987 C CYS B 116 -13.845 -1.037 -5.301 1.00 1.13 C ATOM 1988 O CYS B 116 -14.521 -2.005 -5.619 1.00 31.21 O ATOM 1989 CB CYS B 116 -11.511 -1.222 -6.307 1.00 43.53 C ATOM 1990 SG CYS B 116 -11.681 -2.979 -6.694 1.00 31.31 S ATOM 0 H CYS B 116 -11.699 1.182 -5.631 1.00 13.43 H new ATOM 0 HA CYS B 116 -13.279 -0.535 -7.308 1.00 62.21 H new ATOM 0 HB2 CYS B 116 -10.831 -0.767 -7.027 1.00 43.53 H new ATOM 0 HB3 CYS B 116 -11.049 -1.121 -5.325 1.00 43.53 H new ATOM 0 HG CYS B 116 -12.888 -3.371 -6.412 1.00 31.31 H new ATOM 1996 N LEU B 117 -13.970 -0.415 -4.098 1.00 51.10 N ATOM 1997 CA LEU B 117 -14.968 -0.812 -3.071 1.00 63.34 C ATOM 1998 C LEU B 117 -16.396 -0.706 -3.637 1.00 15.42 C ATOM 1999 O LEU B 117 -17.263 -1.511 -3.298 1.00 60.24 O ATOM 2000 CB LEU B 117 -14.847 0.074 -1.791 1.00 40.24 C ATOM 2001 CG LEU B 117 -13.600 -0.169 -0.880 1.00 14.22 C ATOM 2002 CD1 LEU B 117 -13.500 0.908 0.216 1.00 42.51 C ATOM 2003 CD2 LEU B 117 -13.615 -1.582 -0.259 1.00 15.34 C ATOM 0 H LEU B 117 -13.385 0.371 -3.815 1.00 51.10 H new ATOM 0 HA LEU B 117 -14.764 -1.847 -2.797 1.00 63.34 H new ATOM 0 HB2 LEU B 117 -14.843 1.119 -2.101 1.00 40.24 H new ATOM 0 HB3 LEU B 117 -15.743 -0.076 -1.188 1.00 40.24 H new ATOM 0 HG LEU B 117 -12.716 -0.097 -1.513 1.00 14.22 H new ATOM 0 HD11 LEU B 117 -12.624 0.716 0.836 1.00 42.51 H new ATOM 0 HD12 LEU B 117 -13.409 1.891 -0.247 1.00 42.51 H new ATOM 0 HD13 LEU B 117 -14.396 0.881 0.836 1.00 42.51 H new ATOM 0 HD21 LEU B 117 -12.733 -1.713 0.367 1.00 15.34 H new ATOM 0 HD22 LEU B 117 -14.512 -1.703 0.348 1.00 15.34 H new ATOM 0 HD23 LEU B 117 -13.611 -2.329 -1.053 1.00 15.34 H new