USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=19 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 -179:sc= -1.75 (180deg=-1.8) USER MOD Set 1.2: B 84 MET CE :methyl -168:sc= -1.64! (180deg=-1.76) USER MOD Single : A 75 THR OG1 : rot 33:sc= 0.0988 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= 1.17 (180deg=-0.00122) USER MOD Single : A 91 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 92 TYR OH : rot -26:sc= -1.1 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -138:sc= -0.304 (180deg=-1.13) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.47) USER MOD Single : B 75 THR OG1 : rot 24:sc= 0.181 USER MOD Single : B 79 SER OG : rot -76:sc= 0.334 USER MOD Single : B 86 LYS NZ :NH3+ -139:sc= -0.0399 (180deg=-1.34) USER MOD Single : B 91 THR OG1 : rot 84:sc= 1.03 USER MOD Single : B 92 TYR OH : rot -20:sc= -0.711 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 -135:sc= -0.244 (180deg=-1.03) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.056 X(o=-0.056,f=-0.47) USER MOD Single : B 116 CYS SG : rot -24:sc= 0.0161 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.110 -4.704 2.582 1.00 63.22 N ATOM 242 CA THR A 75 -11.937 -3.470 3.375 1.00 32.25 C ATOM 243 C THR A 75 -10.680 -3.566 4.270 1.00 73.20 C ATOM 244 O THR A 75 -10.117 -2.539 4.672 1.00 64.31 O ATOM 245 CB THR A 75 -13.223 -3.174 4.223 1.00 64.43 C ATOM 246 OG1 THR A 75 -14.352 -3.074 3.345 1.00 0.24 O ATOM 247 CG2 THR A 75 -13.136 -1.869 5.042 1.00 15.14 C ATOM 0 HA THR A 75 -11.791 -2.635 2.689 1.00 32.25 H new ATOM 0 HB THR A 75 -13.324 -3.998 4.929 1.00 64.43 H new ATOM 0 HG1 THR A 75 -14.227 -3.676 2.582 1.00 0.24 H new ATOM 0 HG21 THR A 75 -14.060 -1.729 5.603 1.00 15.14 H new ATOM 0 HG22 THR A 75 -12.297 -1.929 5.735 1.00 15.14 H new ATOM 0 HG23 THR A 75 -12.990 -1.025 4.368 1.00 15.14 H new ATOM 255 N ASP A 76 -10.219 -4.816 4.542 1.00 23.21 N ATOM 256 CA ASP A 76 -8.907 -5.062 5.179 1.00 63.21 C ATOM 257 C ASP A 76 -7.781 -4.500 4.302 1.00 1.12 C ATOM 258 O ASP A 76 -6.873 -3.878 4.815 1.00 44.40 O ATOM 259 CB ASP A 76 -8.652 -6.573 5.454 1.00 63.34 C ATOM 260 CG ASP A 76 -9.553 -7.165 6.548 1.00 4.34 C ATOM 261 OD1 ASP A 76 -10.760 -7.333 6.303 1.00 32.43 O ATOM 262 OD2 ASP A 76 -9.062 -7.463 7.662 1.00 51.03 O ATOM 0 H ASP A 76 -10.741 -5.666 4.328 1.00 23.21 H new ATOM 0 HA ASP A 76 -8.920 -4.551 6.142 1.00 63.21 H new ATOM 0 HB2 ASP A 76 -8.803 -7.131 4.530 1.00 63.34 H new ATOM 0 HB3 ASP A 76 -7.610 -6.709 5.742 1.00 63.34 H new ATOM 267 N LEU A 77 -7.898 -4.695 2.975 1.00 42.25 N ATOM 268 CA LEU A 77 -6.927 -4.176 1.984 1.00 45.21 C ATOM 269 C LEU A 77 -6.852 -2.634 2.044 1.00 62.34 C ATOM 270 O LEU A 77 -5.756 -2.067 2.118 1.00 62.35 O ATOM 271 CB LEU A 77 -7.300 -4.665 0.555 1.00 61.55 C ATOM 272 CG LEU A 77 -6.457 -4.099 -0.634 1.00 51.14 C ATOM 273 CD1 LEU A 77 -4.945 -4.354 -0.449 1.00 55.14 C ATOM 274 CD2 LEU A 77 -6.969 -4.658 -1.982 1.00 40.11 C ATOM 0 H LEU A 77 -8.668 -5.217 2.556 1.00 42.25 H new ATOM 0 HA LEU A 77 -5.939 -4.565 2.230 1.00 45.21 H new ATOM 0 HB2 LEU A 77 -7.221 -5.752 0.538 1.00 61.55 H new ATOM 0 HB3 LEU A 77 -8.346 -4.418 0.375 1.00 61.55 H new ATOM 0 HG LEU A 77 -6.589 -3.017 -0.644 1.00 51.14 H new ATOM 0 HD11 LEU A 77 -4.400 -3.943 -1.299 1.00 55.14 H new ATOM 0 HD12 LEU A 77 -4.604 -3.872 0.467 1.00 55.14 H new ATOM 0 HD13 LEU A 77 -4.762 -5.427 -0.385 1.00 55.14 H new ATOM 0 HD21 LEU A 77 -6.369 -4.252 -2.796 1.00 40.11 H new ATOM 0 HD22 LEU A 77 -6.888 -5.745 -1.979 1.00 40.11 H new ATOM 0 HD23 LEU A 77 -8.011 -4.372 -2.122 1.00 40.11 H new ATOM 286 N LEU A 78 -8.038 -1.993 2.067 1.00 64.11 N ATOM 287 CA LEU A 78 -8.181 -0.521 2.214 1.00 33.24 C ATOM 288 C LEU A 78 -7.532 -0.040 3.533 1.00 32.32 C ATOM 289 O LEU A 78 -6.867 1.007 3.582 1.00 24.41 O ATOM 290 CB LEU A 78 -9.691 -0.148 2.194 1.00 12.52 C ATOM 291 CG LEU A 78 -10.041 1.373 2.210 1.00 22.21 C ATOM 292 CD1 LEU A 78 -9.515 2.096 0.949 1.00 52.22 C ATOM 293 CD2 LEU A 78 -11.560 1.580 2.391 1.00 64.31 C ATOM 0 H LEU A 78 -8.931 -2.480 1.984 1.00 64.11 H new ATOM 0 HA LEU A 78 -7.672 -0.029 1.385 1.00 33.24 H new ATOM 0 HB2 LEU A 78 -10.138 -0.590 1.304 1.00 12.52 H new ATOM 0 HB3 LEU A 78 -10.168 -0.615 3.056 1.00 12.52 H new ATOM 0 HG LEU A 78 -9.535 1.822 3.065 1.00 22.21 H new ATOM 0 HD11 LEU A 78 -9.779 3.152 0.999 1.00 52.22 H new ATOM 0 HD12 LEU A 78 -8.431 1.995 0.897 1.00 52.22 H new ATOM 0 HD13 LEU A 78 -9.964 1.651 0.061 1.00 52.22 H new ATOM 0 HD21 LEU A 78 -11.783 2.647 2.400 1.00 64.31 H new ATOM 0 HD22 LEU A 78 -12.093 1.104 1.568 1.00 64.31 H new ATOM 0 HD23 LEU A 78 -11.878 1.135 3.334 1.00 64.31 H new ATOM 305 N SER A 79 -7.724 -0.859 4.580 1.00 53.01 N ATOM 306 CA SER A 79 -7.215 -0.600 5.931 1.00 73.51 C ATOM 307 C SER A 79 -5.683 -0.730 5.986 1.00 24.30 C ATOM 308 O SER A 79 -5.025 0.058 6.658 1.00 34.14 O ATOM 309 CB SER A 79 -7.888 -1.552 6.947 1.00 14.10 C ATOM 310 OG SER A 79 -7.637 -1.141 8.270 1.00 51.52 O ATOM 0 H SER A 79 -8.246 -1.732 4.507 1.00 53.01 H new ATOM 0 HA SER A 79 -7.465 0.427 6.198 1.00 73.51 H new ATOM 0 HB2 SER A 79 -8.963 -1.578 6.769 1.00 14.10 H new ATOM 0 HB3 SER A 79 -7.516 -2.566 6.801 1.00 14.10 H new ATOM 0 HG SER A 79 -8.074 -1.758 8.893 1.00 51.52 H new ATOM 316 N VAL A 80 -5.130 -1.710 5.236 1.00 21.10 N ATOM 317 CA VAL A 80 -3.673 -1.959 5.161 1.00 63.13 C ATOM 318 C VAL A 80 -2.960 -0.745 4.569 1.00 50.54 C ATOM 319 O VAL A 80 -1.890 -0.353 5.049 1.00 52.22 O ATOM 320 CB VAL A 80 -3.336 -3.254 4.326 1.00 15.23 C ATOM 321 CG1 VAL A 80 -1.814 -3.400 4.070 1.00 1.34 C ATOM 322 CG2 VAL A 80 -3.880 -4.511 5.026 1.00 13.44 C ATOM 0 H VAL A 80 -5.682 -2.351 4.666 1.00 21.10 H new ATOM 0 HA VAL A 80 -3.316 -2.126 6.177 1.00 63.13 H new ATOM 0 HB VAL A 80 -3.826 -3.147 3.358 1.00 15.23 H new ATOM 0 HG11 VAL A 80 -1.627 -4.305 3.492 1.00 1.34 H new ATOM 0 HG12 VAL A 80 -1.454 -2.534 3.515 1.00 1.34 H new ATOM 0 HG13 VAL A 80 -1.289 -3.464 5.023 1.00 1.34 H new ATOM 0 HG21 VAL A 80 -3.636 -5.392 4.433 1.00 13.44 H new ATOM 0 HG22 VAL A 80 -3.428 -4.602 6.014 1.00 13.44 H new ATOM 0 HG23 VAL A 80 -4.962 -4.431 5.129 1.00 13.44 H new ATOM 332 N ILE A 81 -3.586 -0.140 3.539 1.00 61.15 N ATOM 333 CA ILE A 81 -3.074 1.084 2.910 1.00 3.33 C ATOM 334 C ILE A 81 -2.930 2.204 3.961 1.00 12.44 C ATOM 335 O ILE A 81 -1.890 2.858 4.060 1.00 25.04 O ATOM 336 CB ILE A 81 -3.984 1.577 1.727 1.00 3.01 C ATOM 337 CG1 ILE A 81 -4.331 0.425 0.724 1.00 20.01 C ATOM 338 CG2 ILE A 81 -3.316 2.747 0.991 1.00 35.23 C ATOM 339 CD1 ILE A 81 -3.145 -0.336 0.132 1.00 54.11 C ATOM 0 H ILE A 81 -4.452 -0.486 3.126 1.00 61.15 H new ATOM 0 HA ILE A 81 -2.097 0.843 2.492 1.00 3.33 H new ATOM 0 HB ILE A 81 -4.924 1.917 2.162 1.00 3.01 H new ATOM 0 HG12 ILE A 81 -4.976 -0.290 1.234 1.00 20.01 H new ATOM 0 HG13 ILE A 81 -4.910 0.848 -0.097 1.00 20.01 H new ATOM 0 HG21 ILE A 81 -3.958 3.077 0.175 1.00 35.23 H new ATOM 0 HG22 ILE A 81 -3.159 3.572 1.686 1.00 35.23 H new ATOM 0 HG23 ILE A 81 -2.356 2.423 0.589 1.00 35.23 H new ATOM 0 HD11 ILE A 81 -3.510 -1.107 -0.546 1.00 54.11 H new ATOM 0 HD12 ILE A 81 -2.505 0.356 -0.416 1.00 54.11 H new ATOM 0 HD13 ILE A 81 -2.573 -0.800 0.935 1.00 54.11 H new ATOM 351 N GLU A 82 -3.974 2.348 4.787 1.00 13.42 N ATOM 352 CA GLU A 82 -4.035 3.366 5.843 1.00 64.13 C ATOM 353 C GLU A 82 -3.007 3.076 6.974 1.00 73.31 C ATOM 354 O GLU A 82 -2.434 4.011 7.545 1.00 10.22 O ATOM 355 CB GLU A 82 -5.486 3.430 6.391 1.00 54.44 C ATOM 356 CG GLU A 82 -5.738 4.449 7.517 1.00 25.25 C ATOM 357 CD GLU A 82 -5.383 5.897 7.134 1.00 21.45 C ATOM 358 OE1 GLU A 82 -5.988 6.435 6.181 1.00 65.05 O ATOM 359 OE2 GLU A 82 -4.522 6.516 7.800 1.00 63.20 O ATOM 0 H GLU A 82 -4.805 1.758 4.741 1.00 13.42 H new ATOM 0 HA GLU A 82 -3.766 4.336 5.426 1.00 64.13 H new ATOM 0 HB2 GLU A 82 -6.156 3.661 5.563 1.00 54.44 H new ATOM 0 HB3 GLU A 82 -5.759 2.440 6.756 1.00 54.44 H new ATOM 0 HG2 GLU A 82 -6.788 4.406 7.805 1.00 25.25 H new ATOM 0 HG3 GLU A 82 -5.156 4.161 8.392 1.00 25.25 H new ATOM 366 N GLU A 83 -2.771 1.776 7.263 1.00 12.45 N ATOM 367 CA GLU A 83 -1.775 1.328 8.270 1.00 12.41 C ATOM 368 C GLU A 83 -0.362 1.769 7.865 1.00 11.30 C ATOM 369 O GLU A 83 0.405 2.290 8.693 1.00 24.24 O ATOM 370 CB GLU A 83 -1.788 -0.218 8.440 1.00 43.41 C ATOM 371 CG GLU A 83 -3.056 -0.798 9.083 1.00 63.14 C ATOM 372 CD GLU A 83 -2.993 -2.324 9.245 1.00 74.11 C ATOM 373 OE1 GLU A 83 -2.334 -2.803 10.195 1.00 4.52 O ATOM 374 OE2 GLU A 83 -3.585 -3.058 8.423 1.00 2.22 O ATOM 0 H GLU A 83 -3.263 1.008 6.807 1.00 12.45 H new ATOM 0 HA GLU A 83 -2.051 1.789 9.218 1.00 12.41 H new ATOM 0 HB2 GLU A 83 -1.656 -0.676 7.460 1.00 43.41 H new ATOM 0 HB3 GLU A 83 -0.929 -0.507 9.045 1.00 43.41 H new ATOM 0 HG2 GLU A 83 -3.206 -0.339 10.060 1.00 63.14 H new ATOM 0 HG3 GLU A 83 -3.920 -0.537 8.472 1.00 63.14 H new ATOM 381 N MET A 84 -0.043 1.559 6.579 1.00 74.32 N ATOM 382 CA MET A 84 1.275 1.868 6.009 1.00 12.54 C ATOM 383 C MET A 84 1.525 3.378 5.992 1.00 20.00 C ATOM 384 O MET A 84 2.648 3.811 6.233 1.00 14.13 O ATOM 385 CB MET A 84 1.403 1.254 4.591 1.00 72.43 C ATOM 386 CG MET A 84 1.331 -0.276 4.592 1.00 0.33 C ATOM 387 SD MET A 84 1.515 -1.015 2.961 1.00 73.33 S ATOM 388 CE MET A 84 0.136 -0.327 2.048 1.00 44.22 C ATOM 0 H MET A 84 -0.697 1.167 5.902 1.00 74.32 H new ATOM 0 HA MET A 84 2.042 1.421 6.642 1.00 12.54 H new ATOM 0 HB2 MET A 84 0.609 1.649 3.957 1.00 72.43 H new ATOM 0 HB3 MET A 84 2.349 1.567 4.150 1.00 72.43 H new ATOM 0 HG2 MET A 84 2.110 -0.666 5.247 1.00 0.33 H new ATOM 0 HG3 MET A 84 0.375 -0.585 5.014 1.00 0.33 H new ATOM 0 HE1 MET A 84 0.136 -0.725 1.033 1.00 44.22 H new ATOM 0 HE2 MET A 84 -0.798 -0.595 2.543 1.00 44.22 H new ATOM 0 HE3 MET A 84 0.229 0.758 2.012 1.00 44.22 H new ATOM 398 N GLY A 85 0.452 4.167 5.765 1.00 3.11 N ATOM 399 CA GLY A 85 0.524 5.638 5.811 1.00 54.00 C ATOM 400 C GLY A 85 0.969 6.193 7.167 1.00 63.13 C ATOM 401 O GLY A 85 1.517 7.297 7.250 1.00 42.41 O ATOM 0 H GLY A 85 -0.476 3.805 5.548 1.00 3.11 H new ATOM 0 HA2 GLY A 85 1.216 5.983 5.043 1.00 54.00 H new ATOM 0 HA3 GLY A 85 -0.455 6.048 5.565 1.00 54.00 H new ATOM 405 N LYS A 86 0.744 5.401 8.224 1.00 20.12 N ATOM 406 CA LYS A 86 1.121 5.752 9.603 1.00 51.12 C ATOM 407 C LYS A 86 2.569 5.326 9.899 1.00 42.21 C ATOM 408 O LYS A 86 3.204 5.870 10.801 1.00 61.22 O ATOM 409 CB LYS A 86 0.159 5.061 10.601 1.00 34.15 C ATOM 410 CG LYS A 86 -1.333 5.296 10.297 1.00 54.55 C ATOM 411 CD LYS A 86 -2.271 4.639 11.332 1.00 42.22 C ATOM 412 CE LYS A 86 -3.742 4.654 10.886 1.00 13.13 C ATOM 413 NZ LYS A 86 -4.230 6.021 10.575 1.00 63.24 N ATOM 0 H LYS A 86 0.291 4.490 8.147 1.00 20.12 H new ATOM 0 HA LYS A 86 1.049 6.834 9.715 1.00 51.12 H new ATOM 0 HB2 LYS A 86 0.356 3.989 10.597 1.00 34.15 H new ATOM 0 HB3 LYS A 86 0.375 5.421 11.607 1.00 34.15 H new ATOM 0 HG2 LYS A 86 -1.528 6.368 10.268 1.00 54.55 H new ATOM 0 HG3 LYS A 86 -1.562 4.903 9.306 1.00 54.55 H new ATOM 0 HD2 LYS A 86 -1.956 3.609 11.501 1.00 42.22 H new ATOM 0 HD3 LYS A 86 -2.178 5.161 12.285 1.00 42.22 H new ATOM 0 HE2 LYS A 86 -3.857 4.022 10.006 1.00 13.13 H new ATOM 0 HE3 LYS A 86 -4.361 4.221 11.672 1.00 13.13 H new ATOM 0 HZ1 LYS A 86 -5.167 6.161 11.004 1.00 63.24 H new ATOM 0 HZ2 LYS A 86 -3.565 6.723 10.958 1.00 63.24 H new ATOM 0 HZ3 LYS A 86 -4.301 6.138 9.544 1.00 63.24 H new ATOM 427 N GLU A 87 3.073 4.332 9.144 1.00 4.15 N ATOM 428 CA GLU A 87 4.428 3.789 9.331 1.00 21.41 C ATOM 429 C GLU A 87 5.504 4.621 8.624 1.00 53.43 C ATOM 430 O GLU A 87 6.672 4.533 8.990 1.00 71.41 O ATOM 431 CB GLU A 87 4.497 2.321 8.845 1.00 74.53 C ATOM 432 CG GLU A 87 3.555 1.357 9.582 1.00 31.21 C ATOM 433 CD GLU A 87 3.716 1.420 11.108 1.00 35.11 C ATOM 434 OE1 GLU A 87 4.785 1.038 11.607 1.00 52.52 O ATOM 435 OE2 GLU A 87 2.773 1.835 11.820 1.00 4.42 O ATOM 0 H GLU A 87 2.552 3.885 8.389 1.00 4.15 H new ATOM 0 HA GLU A 87 4.634 3.832 10.400 1.00 21.41 H new ATOM 0 HB2 GLU A 87 4.263 2.293 7.781 1.00 74.53 H new ATOM 0 HB3 GLU A 87 5.521 1.963 8.956 1.00 74.53 H new ATOM 0 HG2 GLU A 87 2.524 1.592 9.320 1.00 31.21 H new ATOM 0 HG3 GLU A 87 3.746 0.339 9.243 1.00 31.21 H new ATOM 442 N ILE A 88 5.105 5.438 7.641 1.00 10.12 N ATOM 443 CA ILE A 88 6.044 6.209 6.797 1.00 31.14 C ATOM 444 C ILE A 88 6.857 7.228 7.625 1.00 75.11 C ATOM 445 O ILE A 88 8.073 7.339 7.437 1.00 10.15 O ATOM 446 CB ILE A 88 5.287 6.941 5.631 1.00 24.41 C ATOM 447 CG1 ILE A 88 4.480 5.905 4.794 1.00 32.54 C ATOM 448 CG2 ILE A 88 6.259 7.741 4.728 1.00 1.33 C ATOM 449 CD1 ILE A 88 3.537 6.511 3.790 1.00 21.22 C ATOM 0 H ILE A 88 4.124 5.587 7.404 1.00 10.12 H new ATOM 0 HA ILE A 88 6.743 5.493 6.365 1.00 31.14 H new ATOM 0 HB ILE A 88 4.596 7.659 6.073 1.00 24.41 H new ATOM 0 HG12 ILE A 88 5.181 5.256 4.269 1.00 32.54 H new ATOM 0 HG13 ILE A 88 3.909 5.273 5.474 1.00 32.54 H new ATOM 0 HG21 ILE A 88 5.697 8.232 3.934 1.00 1.33 H new ATOM 0 HG22 ILE A 88 6.776 8.492 5.325 1.00 1.33 H new ATOM 0 HG23 ILE A 88 6.990 7.062 4.288 1.00 1.33 H new ATOM 0 HD11 ILE A 88 3.018 5.717 3.253 1.00 21.22 H new ATOM 0 HD12 ILE A 88 2.809 7.137 4.306 1.00 21.22 H new ATOM 0 HD13 ILE A 88 4.101 7.119 3.082 1.00 21.22 H new ATOM 461 N ARG A 89 6.182 7.951 8.551 1.00 15.11 N ATOM 462 CA ARG A 89 6.843 8.988 9.368 1.00 53.35 C ATOM 463 C ARG A 89 7.909 8.390 10.328 1.00 24.11 C ATOM 464 O ARG A 89 9.059 8.829 10.279 1.00 63.43 O ATOM 465 CB ARG A 89 5.826 9.881 10.144 1.00 60.11 C ATOM 466 CG ARG A 89 6.493 11.006 10.963 1.00 32.42 C ATOM 467 CD ARG A 89 5.514 11.870 11.771 1.00 25.30 C ATOM 468 NE ARG A 89 6.215 12.974 12.458 1.00 21.11 N ATOM 469 CZ ARG A 89 6.382 13.111 13.788 1.00 54.44 C ATOM 470 NH1 ARG A 89 5.896 12.211 14.638 1.00 51.11 N ATOM 471 NH2 ARG A 89 7.050 14.159 14.258 1.00 14.13 N ATOM 0 H ARG A 89 5.188 7.834 8.747 1.00 15.11 H new ATOM 0 HA ARG A 89 7.363 9.635 8.662 1.00 53.35 H new ATOM 0 HB2 ARG A 89 5.128 10.325 9.434 1.00 60.11 H new ATOM 0 HB3 ARG A 89 5.241 9.252 10.815 1.00 60.11 H new ATOM 0 HG2 ARG A 89 7.215 10.561 11.647 1.00 32.42 H new ATOM 0 HG3 ARG A 89 7.052 11.650 10.284 1.00 32.42 H new ATOM 0 HD2 ARG A 89 4.752 12.278 11.107 1.00 25.30 H new ATOM 0 HD3 ARG A 89 4.999 11.250 12.505 1.00 25.30 H new ATOM 0 HE ARG A 89 6.612 13.705 11.867 1.00 21.11 H new ATOM 0 HH11 ARG A 89 5.387 11.400 14.286 1.00 51.11 H new ATOM 0 HH12 ARG A 89 6.032 12.332 15.642 1.00 51.11 H new ATOM 0 HH21 ARG A 89 7.431 14.852 13.614 1.00 14.13 H new ATOM 0 HH22 ARG A 89 7.181 14.271 15.263 1.00 14.13 H new ATOM 485 N PRO A 90 7.578 7.373 11.213 1.00 51.02 N ATOM 486 CA PRO A 90 8.596 6.745 12.093 1.00 52.41 C ATOM 487 C PRO A 90 9.724 6.042 11.302 1.00 4.42 C ATOM 488 O PRO A 90 10.882 6.128 11.706 1.00 74.44 O ATOM 489 CB PRO A 90 7.787 5.756 12.971 1.00 42.53 C ATOM 490 CG PRO A 90 6.507 5.525 12.227 1.00 2.54 C ATOM 491 CD PRO A 90 6.230 6.800 11.479 1.00 4.14 C ATOM 0 HA PRO A 90 9.126 7.488 12.689 1.00 52.41 H new ATOM 0 HB2 PRO A 90 8.331 4.823 13.117 1.00 42.53 H new ATOM 0 HB3 PRO A 90 7.598 6.172 13.960 1.00 42.53 H new ATOM 0 HG2 PRO A 90 6.600 4.682 11.542 1.00 2.54 H new ATOM 0 HG3 PRO A 90 5.693 5.290 12.913 1.00 2.54 H new ATOM 0 HD2 PRO A 90 5.690 6.608 10.552 1.00 4.14 H new ATOM 0 HD3 PRO A 90 5.618 7.482 12.069 1.00 4.14 H new ATOM 499 N THR A 91 9.385 5.391 10.159 1.00 42.24 N ATOM 500 CA THR A 91 10.389 4.783 9.241 1.00 32.31 C ATOM 501 C THR A 91 11.415 5.839 8.774 1.00 1.20 C ATOM 502 O THR A 91 12.633 5.634 8.870 1.00 44.14 O ATOM 503 CB THR A 91 9.691 4.145 7.995 1.00 74.02 C ATOM 504 OG1 THR A 91 8.884 3.040 8.418 1.00 64.25 O ATOM 505 CG2 THR A 91 10.679 3.672 6.904 1.00 70.32 C ATOM 0 H THR A 91 8.421 5.273 9.849 1.00 42.24 H new ATOM 0 HA THR A 91 10.910 4.001 9.793 1.00 32.31 H new ATOM 0 HB THR A 91 9.081 4.928 7.544 1.00 74.02 H new ATOM 0 HG1 THR A 91 8.004 3.366 8.699 1.00 64.25 H new ATOM 0 HG21 THR A 91 10.123 3.241 6.072 1.00 70.32 H new ATOM 0 HG22 THR A 91 11.263 4.521 6.549 1.00 70.32 H new ATOM 0 HG23 THR A 91 11.349 2.920 7.321 1.00 70.32 H new ATOM 513 N TYR A 92 10.889 6.987 8.336 1.00 21.32 N ATOM 514 CA TYR A 92 11.688 8.137 7.912 1.00 34.41 C ATOM 515 C TYR A 92 12.509 8.701 9.089 1.00 2.02 C ATOM 516 O TYR A 92 13.634 9.166 8.903 1.00 55.34 O ATOM 517 CB TYR A 92 10.763 9.230 7.316 1.00 11.22 C ATOM 518 CG TYR A 92 11.520 10.421 6.733 1.00 13.15 C ATOM 519 CD1 TYR A 92 12.349 10.252 5.631 1.00 12.50 C ATOM 520 CD2 TYR A 92 11.453 11.699 7.301 1.00 2.42 C ATOM 521 CE1 TYR A 92 13.057 11.299 5.104 1.00 22.11 C ATOM 522 CE2 TYR A 92 12.171 12.755 6.777 1.00 34.22 C ATOM 523 CZ TYR A 92 12.978 12.551 5.685 1.00 53.44 C ATOM 524 OH TYR A 92 13.719 13.593 5.178 1.00 43.20 O ATOM 0 H TYR A 92 9.884 7.144 8.266 1.00 21.32 H new ATOM 0 HA TYR A 92 12.389 7.810 7.144 1.00 34.41 H new ATOM 0 HB2 TYR A 92 10.146 8.785 6.535 1.00 11.22 H new ATOM 0 HB3 TYR A 92 10.087 9.585 8.094 1.00 11.22 H new ATOM 0 HD1 TYR A 92 12.437 9.274 5.181 1.00 12.50 H new ATOM 0 HD2 TYR A 92 10.827 11.862 8.166 1.00 2.42 H new ATOM 0 HE1 TYR A 92 13.678 11.147 4.234 1.00 22.11 H new ATOM 0 HE2 TYR A 92 12.098 13.736 7.223 1.00 34.22 H new ATOM 0 HH TYR A 92 14.516 13.240 4.730 1.00 43.20 H new ATOM 534 N ALA A 93 11.932 8.641 10.303 1.00 73.42 N ATOM 535 CA ALA A 93 12.550 9.161 11.539 1.00 71.10 C ATOM 536 C ALA A 93 13.561 8.173 12.177 1.00 51.14 C ATOM 537 O ALA A 93 14.081 8.446 13.268 1.00 2.01 O ATOM 538 CB ALA A 93 11.436 9.522 12.540 1.00 12.02 C ATOM 0 H ALA A 93 11.013 8.226 10.456 1.00 73.42 H new ATOM 0 HA ALA A 93 13.126 10.048 11.276 1.00 71.10 H new ATOM 0 HB1 ALA A 93 11.882 9.907 13.457 1.00 12.02 H new ATOM 0 HB2 ALA A 93 10.788 10.282 12.104 1.00 12.02 H new ATOM 0 HB3 ALA A 93 10.849 8.632 12.768 1.00 12.02 H new ATOM 544 N GLY A 94 13.830 7.028 11.512 1.00 24.43 N ATOM 545 CA GLY A 94 14.883 6.089 11.941 1.00 32.32 C ATOM 546 C GLY A 94 14.389 4.811 12.600 1.00 33.32 C ATOM 547 O GLY A 94 15.194 3.924 12.911 1.00 73.11 O ATOM 0 H GLY A 94 13.329 6.734 10.674 1.00 24.43 H new ATOM 0 HA2 GLY A 94 15.483 5.821 11.071 1.00 32.32 H new ATOM 0 HA3 GLY A 94 15.544 6.605 12.638 1.00 32.32 H new ATOM 551 N SER A 95 13.075 4.696 12.811 1.00 52.45 N ATOM 552 CA SER A 95 12.467 3.528 13.473 1.00 45.32 C ATOM 553 C SER A 95 12.456 2.294 12.537 1.00 22.52 C ATOM 554 O SER A 95 11.609 2.198 11.635 1.00 71.21 O ATOM 555 CB SER A 95 11.038 3.879 13.929 1.00 42.31 C ATOM 556 OG SER A 95 11.034 5.024 14.771 1.00 43.31 O ATOM 0 H SER A 95 12.399 5.407 12.530 1.00 52.45 H new ATOM 0 HA SER A 95 13.068 3.271 14.345 1.00 45.32 H new ATOM 0 HB2 SER A 95 10.410 4.063 13.057 1.00 42.31 H new ATOM 0 HB3 SER A 95 10.605 3.032 14.461 1.00 42.31 H new ATOM 0 HG SER A 95 10.115 5.226 15.044 1.00 43.31 H new ATOM 562 N LYS A 96 13.438 1.387 12.737 1.00 34.54 N ATOM 563 CA LYS A 96 13.550 0.109 11.991 1.00 61.32 C ATOM 564 C LYS A 96 12.356 -0.826 12.245 1.00 35.35 C ATOM 565 O LYS A 96 11.974 -1.599 11.356 1.00 41.42 O ATOM 566 CB LYS A 96 14.893 -0.598 12.329 1.00 71.14 C ATOM 567 CG LYS A 96 15.120 -0.928 13.826 1.00 11.31 C ATOM 568 CD LYS A 96 16.504 -1.582 14.093 1.00 63.22 C ATOM 569 CE LYS A 96 16.697 -1.980 15.570 1.00 63.44 C ATOM 570 NZ LYS A 96 16.760 -0.807 16.484 1.00 62.35 N ATOM 0 H LYS A 96 14.180 1.520 13.424 1.00 34.54 H new ATOM 0 HA LYS A 96 13.536 0.351 10.928 1.00 61.32 H new ATOM 0 HB2 LYS A 96 14.948 -1.525 11.759 1.00 71.14 H new ATOM 0 HB3 LYS A 96 15.712 0.035 11.987 1.00 71.14 H new ATOM 0 HG2 LYS A 96 15.036 -0.013 14.412 1.00 11.31 H new ATOM 0 HG3 LYS A 96 14.333 -1.600 14.169 1.00 11.31 H new ATOM 0 HD2 LYS A 96 16.611 -2.467 13.465 1.00 63.22 H new ATOM 0 HD3 LYS A 96 17.292 -0.888 13.802 1.00 63.22 H new ATOM 0 HE2 LYS A 96 15.876 -2.629 15.876 1.00 63.44 H new ATOM 0 HE3 LYS A 96 17.615 -2.560 15.668 1.00 63.44 H new ATOM 0 HZ1 LYS A 96 16.890 -1.136 17.462 1.00 62.35 H new ATOM 0 HZ2 LYS A 96 17.559 -0.199 16.214 1.00 62.35 H new ATOM 0 HZ3 LYS A 96 15.875 -0.266 16.416 1.00 62.35 H new ATOM 584 N SER A 97 11.776 -0.745 13.454 1.00 61.41 N ATOM 585 CA SER A 97 10.576 -1.518 13.819 1.00 12.01 C ATOM 586 C SER A 97 9.395 -1.142 12.899 1.00 34.45 C ATOM 587 O SER A 97 8.721 -2.022 12.349 1.00 44.14 O ATOM 588 CB SER A 97 10.204 -1.271 15.297 1.00 2.22 C ATOM 589 OG SER A 97 11.301 -1.558 16.160 1.00 33.33 O ATOM 0 H SER A 97 12.123 -0.145 14.203 1.00 61.41 H new ATOM 0 HA SER A 97 10.795 -2.578 13.689 1.00 12.01 H new ATOM 0 HB2 SER A 97 9.896 -0.234 15.429 1.00 2.22 H new ATOM 0 HB3 SER A 97 9.352 -1.893 15.569 1.00 2.22 H new ATOM 0 HG SER A 97 11.038 -1.391 17.089 1.00 33.33 H new ATOM 595 N ALA A 98 9.206 0.184 12.713 1.00 13.31 N ATOM 596 CA ALA A 98 8.169 0.744 11.830 1.00 11.12 C ATOM 597 C ALA A 98 8.442 0.405 10.363 1.00 42.20 C ATOM 598 O ALA A 98 7.510 0.147 9.607 1.00 25.44 O ATOM 599 CB ALA A 98 8.100 2.260 11.991 1.00 10.43 C ATOM 0 H ALA A 98 9.773 0.895 13.175 1.00 13.31 H new ATOM 0 HA ALA A 98 7.217 0.299 12.118 1.00 11.12 H new ATOM 0 HB1 ALA A 98 7.329 2.661 11.333 1.00 10.43 H new ATOM 0 HB2 ALA A 98 7.858 2.505 13.025 1.00 10.43 H new ATOM 0 HB3 ALA A 98 9.064 2.698 11.731 1.00 10.43 H new ATOM 605 N MET A 99 9.735 0.434 9.984 1.00 70.35 N ATOM 606 CA MET A 99 10.203 0.135 8.615 1.00 14.45 C ATOM 607 C MET A 99 9.847 -1.295 8.207 1.00 43.12 C ATOM 608 O MET A 99 9.355 -1.520 7.100 1.00 21.42 O ATOM 609 CB MET A 99 11.732 0.390 8.521 1.00 13.55 C ATOM 610 CG MET A 99 12.384 0.103 7.145 1.00 61.41 C ATOM 611 SD MET A 99 12.693 -1.652 6.834 1.00 72.25 S ATOM 612 CE MET A 99 13.782 -2.066 8.201 1.00 74.44 C ATOM 0 H MET A 99 10.492 0.668 10.626 1.00 70.35 H new ATOM 0 HA MET A 99 9.695 0.799 7.915 1.00 14.45 H new ATOM 0 HB2 MET A 99 11.924 1.431 8.782 1.00 13.55 H new ATOM 0 HB3 MET A 99 12.230 -0.224 9.272 1.00 13.55 H new ATOM 0 HG2 MET A 99 11.738 0.493 6.359 1.00 61.41 H new ATOM 0 HG3 MET A 99 13.327 0.645 7.080 1.00 61.41 H new ATOM 0 HE1 MET A 99 14.588 -2.706 7.843 1.00 74.44 H new ATOM 0 HE2 MET A 99 14.203 -1.152 8.621 1.00 74.44 H new ATOM 0 HE3 MET A 99 13.216 -2.592 8.970 1.00 74.44 H new ATOM 622 N GLU A 100 10.073 -2.247 9.129 1.00 30.23 N ATOM 623 CA GLU A 100 9.770 -3.672 8.905 1.00 60.13 C ATOM 624 C GLU A 100 8.247 -3.895 8.811 1.00 33.42 C ATOM 625 O GLU A 100 7.782 -4.715 8.026 1.00 14.54 O ATOM 626 CB GLU A 100 10.389 -4.539 10.034 1.00 4.21 C ATOM 627 CG GLU A 100 10.193 -6.056 9.842 1.00 63.13 C ATOM 628 CD GLU A 100 10.901 -6.906 10.901 1.00 44.44 C ATOM 629 OE1 GLU A 100 12.091 -7.243 10.704 1.00 40.14 O ATOM 630 OE2 GLU A 100 10.279 -7.243 11.937 1.00 54.04 O ATOM 0 H GLU A 100 10.470 -2.051 10.048 1.00 30.23 H new ATOM 0 HA GLU A 100 10.214 -3.977 7.957 1.00 60.13 H new ATOM 0 HB2 GLU A 100 11.456 -4.327 10.097 1.00 4.21 H new ATOM 0 HB3 GLU A 100 9.949 -4.244 10.987 1.00 4.21 H new ATOM 0 HG2 GLU A 100 9.127 -6.281 9.861 1.00 63.13 H new ATOM 0 HG3 GLU A 100 10.561 -6.339 8.856 1.00 63.13 H new ATOM 637 N ARG A 101 7.495 -3.121 9.610 1.00 72.34 N ATOM 638 CA ARG A 101 6.014 -3.138 9.628 1.00 34.24 C ATOM 639 C ARG A 101 5.436 -2.495 8.357 1.00 1.22 C ATOM 640 O ARG A 101 4.351 -2.869 7.899 1.00 53.24 O ATOM 641 CB ARG A 101 5.513 -2.395 10.891 1.00 61.40 C ATOM 642 CG ARG A 101 5.659 -3.197 12.202 1.00 34.55 C ATOM 643 CD ARG A 101 5.580 -2.313 13.465 1.00 62.31 C ATOM 644 NE ARG A 101 4.520 -1.294 13.382 1.00 44.21 N ATOM 645 CZ ARG A 101 3.472 -1.163 14.208 1.00 70.22 C ATOM 646 NH1 ARG A 101 3.273 -2.008 15.219 1.00 31.33 N ATOM 647 NH2 ARG A 101 2.638 -0.148 14.025 1.00 74.20 N ATOM 0 H ARG A 101 7.898 -2.457 10.271 1.00 72.34 H new ATOM 0 HA ARG A 101 5.672 -4.173 9.655 1.00 34.24 H new ATOM 0 HB2 ARG A 101 6.062 -1.459 10.989 1.00 61.40 H new ATOM 0 HB3 ARG A 101 4.463 -2.136 10.753 1.00 61.40 H new ATOM 0 HG2 ARG A 101 4.876 -3.954 12.247 1.00 34.55 H new ATOM 0 HG3 ARG A 101 6.613 -3.724 12.194 1.00 34.55 H new ATOM 0 HD2 ARG A 101 5.403 -2.945 14.335 1.00 62.31 H new ATOM 0 HD3 ARG A 101 6.540 -1.820 13.619 1.00 62.31 H new ATOM 0 HE ARG A 101 4.590 -0.620 12.619 1.00 44.21 H new ATOM 0 HH11 ARG A 101 3.926 -2.776 15.378 1.00 31.33 H new ATOM 0 HH12 ARG A 101 2.468 -1.887 15.834 1.00 31.33 H new ATOM 0 HH21 ARG A 101 2.800 0.515 13.267 1.00 74.20 H new ATOM 0 HH22 ARG A 101 1.835 -0.030 14.642 1.00 74.20 H new ATOM 661 N LEU A 102 6.183 -1.536 7.809 1.00 1.12 N ATOM 662 CA LEU A 102 5.828 -0.815 6.583 1.00 10.41 C ATOM 663 C LEU A 102 6.021 -1.741 5.370 1.00 40.44 C ATOM 664 O LEU A 102 5.144 -1.831 4.505 1.00 54.35 O ATOM 665 CB LEU A 102 6.705 0.467 6.488 1.00 24.23 C ATOM 666 CG LEU A 102 6.486 1.407 5.265 1.00 72.34 C ATOM 667 CD1 LEU A 102 5.014 1.806 5.072 1.00 71.02 C ATOM 668 CD2 LEU A 102 7.379 2.657 5.386 1.00 20.44 C ATOM 0 H LEU A 102 7.069 -1.232 8.212 1.00 1.12 H new ATOM 0 HA LEU A 102 4.781 -0.511 6.598 1.00 10.41 H new ATOM 0 HB2 LEU A 102 6.543 1.052 7.393 1.00 24.23 H new ATOM 0 HB3 LEU A 102 7.751 0.159 6.491 1.00 24.23 H new ATOM 0 HG LEU A 102 6.772 0.844 4.376 1.00 72.34 H new ATOM 0 HD11 LEU A 102 4.925 2.461 4.205 1.00 71.02 H new ATOM 0 HD12 LEU A 102 4.412 0.911 4.914 1.00 71.02 H new ATOM 0 HD13 LEU A 102 4.660 2.330 5.960 1.00 71.02 H new ATOM 0 HD21 LEU A 102 7.216 3.305 4.525 1.00 20.44 H new ATOM 0 HD22 LEU A 102 7.128 3.197 6.299 1.00 20.44 H new ATOM 0 HD23 LEU A 102 8.426 2.355 5.420 1.00 20.44 H new ATOM 680 N LYS A 103 7.168 -2.459 5.347 1.00 74.34 N ATOM 681 CA LYS A 103 7.467 -3.457 4.298 1.00 32.33 C ATOM 682 C LYS A 103 6.500 -4.638 4.391 1.00 72.42 C ATOM 683 O LYS A 103 6.017 -5.119 3.369 1.00 3.42 O ATOM 684 CB LYS A 103 8.932 -3.972 4.376 1.00 25.33 C ATOM 685 CG LYS A 103 10.015 -2.874 4.276 1.00 64.43 C ATOM 686 CD LYS A 103 11.419 -3.438 3.953 1.00 45.21 C ATOM 687 CE LYS A 103 11.488 -4.051 2.546 1.00 53.20 C ATOM 688 NZ LYS A 103 12.851 -4.549 2.213 1.00 4.34 N ATOM 0 H LYS A 103 7.903 -2.364 6.047 1.00 74.34 H new ATOM 0 HA LYS A 103 7.341 -2.956 3.338 1.00 32.33 H new ATOM 0 HB2 LYS A 103 9.064 -4.507 5.316 1.00 25.33 H new ATOM 0 HB3 LYS A 103 9.091 -4.693 3.574 1.00 25.33 H new ATOM 0 HG2 LYS A 103 9.730 -2.159 3.504 1.00 64.43 H new ATOM 0 HG3 LYS A 103 10.057 -2.326 5.217 1.00 64.43 H new ATOM 0 HD2 LYS A 103 12.157 -2.640 4.037 1.00 45.21 H new ATOM 0 HD3 LYS A 103 11.683 -4.195 4.691 1.00 45.21 H new ATOM 0 HE2 LYS A 103 10.776 -4.873 2.475 1.00 53.20 H new ATOM 0 HE3 LYS A 103 11.187 -3.304 1.811 1.00 53.20 H new ATOM 0 HZ1 LYS A 103 12.848 -4.953 1.255 1.00 4.34 H new ATOM 0 HZ2 LYS A 103 13.528 -3.761 2.254 1.00 4.34 H new ATOM 0 HZ3 LYS A 103 13.130 -5.281 2.897 1.00 4.34 H new ATOM 702 N ARG A 104 6.215 -5.079 5.629 1.00 22.34 N ATOM 703 CA ARG A 104 5.279 -6.189 5.895 1.00 51.15 C ATOM 704 C ARG A 104 3.843 -5.791 5.509 1.00 45.12 C ATOM 705 O ARG A 104 3.022 -6.646 5.147 1.00 10.42 O ATOM 706 CB ARG A 104 5.352 -6.617 7.383 1.00 41.04 C ATOM 707 CG ARG A 104 4.528 -7.869 7.734 1.00 42.32 C ATOM 708 CD ARG A 104 4.615 -8.254 9.218 1.00 15.03 C ATOM 709 NE ARG A 104 3.806 -9.446 9.521 1.00 74.40 N ATOM 710 CZ ARG A 104 3.684 -10.014 10.733 1.00 13.13 C ATOM 711 NH1 ARG A 104 4.319 -9.508 11.789 1.00 4.34 N ATOM 712 NH2 ARG A 104 2.901 -11.071 10.888 1.00 13.13 N ATOM 0 H ARG A 104 6.625 -4.678 6.472 1.00 22.34 H new ATOM 0 HA ARG A 104 5.571 -7.041 5.281 1.00 51.15 H new ATOM 0 HB2 ARG A 104 6.394 -6.800 7.643 1.00 41.04 H new ATOM 0 HB3 ARG A 104 5.010 -5.788 8.002 1.00 41.04 H new ATOM 0 HG2 ARG A 104 3.485 -7.695 7.471 1.00 42.32 H new ATOM 0 HG3 ARG A 104 4.874 -8.706 7.127 1.00 42.32 H new ATOM 0 HD2 ARG A 104 5.655 -8.443 9.484 1.00 15.03 H new ATOM 0 HD3 ARG A 104 4.276 -7.419 9.831 1.00 15.03 H new ATOM 0 HE ARG A 104 3.297 -9.876 8.749 1.00 74.40 H new ATOM 0 HH11 ARG A 104 4.906 -8.680 11.683 1.00 4.34 H new ATOM 0 HH12 ARG A 104 4.218 -9.948 12.704 1.00 4.34 H new ATOM 0 HH21 ARG A 104 2.393 -11.451 10.089 1.00 13.13 H new ATOM 0 HH22 ARG A 104 2.806 -11.505 11.806 1.00 13.13 H new ATOM 726 N GLY A 105 3.567 -4.474 5.580 1.00 72.43 N ATOM 727 CA GLY A 105 2.323 -3.911 5.074 1.00 72.24 C ATOM 728 C GLY A 105 2.195 -4.087 3.568 1.00 42.12 C ATOM 729 O GLY A 105 1.132 -4.449 3.081 1.00 11.03 O ATOM 0 H GLY A 105 4.200 -3.786 5.987 1.00 72.43 H new ATOM 0 HA2 GLY A 105 1.479 -4.391 5.569 1.00 72.24 H new ATOM 0 HA3 GLY A 105 2.277 -2.850 5.321 1.00 72.24 H new ATOM 733 N ILE A 106 3.305 -3.848 2.835 1.00 4.24 N ATOM 734 CA ILE A 106 3.374 -4.101 1.375 1.00 60.44 C ATOM 735 C ILE A 106 3.204 -5.611 1.067 1.00 32.30 C ATOM 736 O ILE A 106 2.441 -5.972 0.176 1.00 21.21 O ATOM 737 CB ILE A 106 4.709 -3.521 0.724 1.00 23.31 C ATOM 738 CG1 ILE A 106 4.547 -2.016 0.319 1.00 21.35 C ATOM 739 CG2 ILE A 106 5.196 -4.341 -0.500 1.00 40.52 C ATOM 740 CD1 ILE A 106 4.358 -1.036 1.450 1.00 64.12 C ATOM 0 H ILE A 106 4.169 -3.479 3.231 1.00 4.24 H new ATOM 0 HA ILE A 106 2.544 -3.565 0.915 1.00 60.44 H new ATOM 0 HB ILE A 106 5.470 -3.604 1.500 1.00 23.31 H new ATOM 0 HG12 ILE A 106 5.429 -1.718 -0.248 1.00 21.35 H new ATOM 0 HG13 ILE A 106 3.692 -1.932 -0.352 1.00 21.35 H new ATOM 0 HG21 ILE A 106 6.108 -3.895 -0.897 1.00 40.52 H new ATOM 0 HG22 ILE A 106 5.398 -5.367 -0.193 1.00 40.52 H new ATOM 0 HG23 ILE A 106 4.425 -4.337 -1.270 1.00 40.52 H new ATOM 0 HD11 ILE A 106 4.258 -0.029 1.046 1.00 64.12 H new ATOM 0 HD12 ILE A 106 3.458 -1.294 2.009 1.00 64.12 H new ATOM 0 HD13 ILE A 106 5.221 -1.076 2.114 1.00 64.12 H new ATOM 752 N ILE A 107 3.903 -6.474 1.830 1.00 41.32 N ATOM 753 CA ILE A 107 3.837 -7.950 1.668 1.00 63.13 C ATOM 754 C ILE A 107 2.371 -8.438 1.804 1.00 73.14 C ATOM 755 O ILE A 107 1.874 -9.231 0.978 1.00 2.32 O ATOM 756 CB ILE A 107 4.746 -8.676 2.734 1.00 61.14 C ATOM 757 CG1 ILE A 107 6.240 -8.239 2.604 1.00 23.01 C ATOM 758 CG2 ILE A 107 4.614 -10.219 2.635 1.00 62.52 C ATOM 759 CD1 ILE A 107 7.132 -8.717 3.738 1.00 75.20 C ATOM 0 H ILE A 107 4.530 -6.174 2.576 1.00 41.32 H new ATOM 0 HA ILE A 107 4.207 -8.199 0.673 1.00 63.13 H new ATOM 0 HB ILE A 107 4.392 -8.371 3.719 1.00 61.14 H new ATOM 0 HG12 ILE A 107 6.636 -8.617 1.662 1.00 23.01 H new ATOM 0 HG13 ILE A 107 6.285 -7.151 2.555 1.00 23.01 H new ATOM 0 HG21 ILE A 107 5.253 -10.688 3.383 1.00 62.52 H new ATOM 0 HG22 ILE A 107 3.578 -10.508 2.811 1.00 62.52 H new ATOM 0 HG23 ILE A 107 4.918 -10.547 1.641 1.00 62.52 H new ATOM 0 HD11 ILE A 107 8.152 -8.370 3.570 1.00 75.20 H new ATOM 0 HD12 ILE A 107 6.764 -8.318 4.683 1.00 75.20 H new ATOM 0 HD13 ILE A 107 7.121 -9.806 3.775 1.00 75.20 H new ATOM 771 N HIS A 108 1.699 -7.916 2.843 1.00 74.40 N ATOM 772 CA HIS A 108 0.305 -8.246 3.157 1.00 22.21 C ATOM 773 C HIS A 108 -0.651 -7.702 2.073 1.00 53.53 C ATOM 774 O HIS A 108 -1.483 -8.449 1.549 1.00 54.44 O ATOM 775 CB HIS A 108 -0.085 -7.698 4.555 1.00 3.10 C ATOM 776 CG HIS A 108 -1.461 -8.109 5.005 1.00 64.11 C ATOM 777 ND1 HIS A 108 -2.275 -7.321 5.793 1.00 35.42 N ATOM 778 CD2 HIS A 108 -2.165 -9.242 4.770 1.00 51.13 C ATOM 779 CE1 HIS A 108 -3.411 -7.956 6.014 1.00 24.35 C ATOM 780 NE2 HIS A 108 -3.360 -9.115 5.403 1.00 11.11 N ATOM 0 H HIS A 108 2.114 -7.248 3.492 1.00 74.40 H new ATOM 0 HA HIS A 108 0.212 -9.332 3.174 1.00 22.21 H new ATOM 0 HB2 HIS A 108 0.645 -8.043 5.287 1.00 3.10 H new ATOM 0 HB3 HIS A 108 -0.028 -6.610 4.537 1.00 3.10 H new ATOM 0 HD2 HIS A 108 -1.837 -10.090 4.187 1.00 51.13 H new ATOM 0 HE1 HIS A 108 -4.240 -7.585 6.598 1.00 24.35 H new ATOM 0 HE2 HIS A 108 -4.103 -9.814 5.403 1.00 11.11 H new ATOM 789 N ALA A 109 -0.491 -6.411 1.724 1.00 71.50 N ATOM 790 CA ALA A 109 -1.372 -5.716 0.758 1.00 42.14 C ATOM 791 C ALA A 109 -1.289 -6.358 -0.628 1.00 23.21 C ATOM 792 O ALA A 109 -2.305 -6.549 -1.286 1.00 42.20 O ATOM 793 CB ALA A 109 -1.007 -4.229 0.661 1.00 5.03 C ATOM 0 H ALA A 109 0.250 -5.820 2.101 1.00 71.50 H new ATOM 0 HA ALA A 109 -2.395 -5.808 1.123 1.00 42.14 H new ATOM 0 HB1 ALA A 109 -1.667 -3.738 -0.054 1.00 5.03 H new ATOM 0 HB2 ALA A 109 -1.121 -3.762 1.639 1.00 5.03 H new ATOM 0 HB3 ALA A 109 0.026 -4.129 0.329 1.00 5.03 H new ATOM 799 N ARG A 110 -0.066 -6.736 -1.013 1.00 61.41 N ATOM 800 CA ARG A 110 0.244 -7.302 -2.339 1.00 23.20 C ATOM 801 C ARG A 110 -0.455 -8.660 -2.530 1.00 2.44 C ATOM 802 O ARG A 110 -0.925 -8.997 -3.628 1.00 14.41 O ATOM 803 CB ARG A 110 1.779 -7.470 -2.483 1.00 54.34 C ATOM 804 CG ARG A 110 2.244 -7.787 -3.909 1.00 44.12 C ATOM 805 CD ARG A 110 1.993 -6.624 -4.890 1.00 54.53 C ATOM 806 NE ARG A 110 2.289 -6.983 -6.285 1.00 23.33 N ATOM 807 CZ ARG A 110 3.502 -7.092 -6.809 1.00 75.22 C ATOM 808 NH1 ARG A 110 4.593 -6.901 -6.088 1.00 71.21 N ATOM 809 NH2 ARG A 110 3.621 -7.376 -8.082 1.00 43.53 N ATOM 0 H ARG A 110 0.751 -6.658 -0.407 1.00 61.41 H new ATOM 0 HA ARG A 110 -0.122 -6.620 -3.106 1.00 23.20 H new ATOM 0 HB2 ARG A 110 2.267 -6.554 -2.149 1.00 54.34 H new ATOM 0 HB3 ARG A 110 2.110 -8.268 -1.819 1.00 54.34 H new ATOM 0 HG2 ARG A 110 3.308 -8.022 -3.896 1.00 44.12 H new ATOM 0 HG3 ARG A 110 1.725 -8.677 -4.266 1.00 44.12 H new ATOM 0 HD2 ARG A 110 0.953 -6.308 -4.814 1.00 54.53 H new ATOM 0 HD3 ARG A 110 2.607 -5.771 -4.601 1.00 54.53 H new ATOM 0 HE ARG A 110 1.496 -7.163 -6.900 1.00 23.33 H new ATOM 0 HH11 ARG A 110 4.516 -6.662 -5.099 1.00 71.21 H new ATOM 0 HH12 ARG A 110 5.512 -6.992 -6.520 1.00 71.21 H new ATOM 0 HH21 ARG A 110 2.788 -7.510 -8.655 1.00 43.53 H new ATOM 0 HH22 ARG A 110 4.547 -7.463 -8.501 1.00 43.53 H new ATOM 823 N ALA A 111 -0.524 -9.422 -1.429 1.00 41.43 N ATOM 824 CA ALA A 111 -1.189 -10.728 -1.392 1.00 44.23 C ATOM 825 C ALA A 111 -2.715 -10.558 -1.431 1.00 15.12 C ATOM 826 O ALA A 111 -3.408 -11.335 -2.087 1.00 45.53 O ATOM 827 CB ALA A 111 -0.764 -11.485 -0.138 1.00 41.53 C ATOM 0 H ALA A 111 -0.117 -9.146 -0.535 1.00 41.43 H new ATOM 0 HA ALA A 111 -0.892 -11.302 -2.269 1.00 44.23 H new ATOM 0 HB1 ALA A 111 -1.260 -12.455 -0.113 1.00 41.53 H new ATOM 0 HB2 ALA A 111 0.316 -11.630 -0.149 1.00 41.53 H new ATOM 0 HB3 ALA A 111 -1.044 -10.912 0.746 1.00 41.53 H new ATOM 833 N LEU A 112 -3.214 -9.513 -0.733 1.00 21.13 N ATOM 834 CA LEU A 112 -4.653 -9.183 -0.689 1.00 12.51 C ATOM 835 C LEU A 112 -5.164 -8.805 -2.087 1.00 1.21 C ATOM 836 O LEU A 112 -6.178 -9.341 -2.532 1.00 11.34 O ATOM 837 CB LEU A 112 -4.935 -8.043 0.328 1.00 24.52 C ATOM 838 CG LEU A 112 -4.738 -8.408 1.831 1.00 41.20 C ATOM 839 CD1 LEU A 112 -4.930 -7.170 2.727 1.00 30.40 C ATOM 840 CD2 LEU A 112 -5.675 -9.565 2.257 1.00 23.51 C ATOM 0 H LEU A 112 -2.632 -8.878 -0.187 1.00 21.13 H new ATOM 0 HA LEU A 112 -5.192 -10.069 -0.355 1.00 12.51 H new ATOM 0 HB2 LEU A 112 -4.285 -7.201 0.090 1.00 24.52 H new ATOM 0 HB3 LEU A 112 -5.961 -7.703 0.188 1.00 24.52 H new ATOM 0 HG LEU A 112 -3.713 -8.756 1.959 1.00 41.20 H new ATOM 0 HD11 LEU A 112 -4.787 -7.451 3.771 1.00 30.40 H new ATOM 0 HD12 LEU A 112 -4.202 -6.407 2.454 1.00 30.40 H new ATOM 0 HD13 LEU A 112 -5.937 -6.776 2.592 1.00 30.40 H new ATOM 0 HD21 LEU A 112 -5.513 -9.795 3.310 1.00 23.51 H new ATOM 0 HD22 LEU A 112 -6.713 -9.267 2.106 1.00 23.51 H new ATOM 0 HD23 LEU A 112 -5.460 -10.448 1.655 1.00 23.51 H new ATOM 852 N VAL A 113 -4.409 -7.925 -2.785 1.00 64.04 N ATOM 853 CA VAL A 113 -4.747 -7.495 -4.160 1.00 61.34 C ATOM 854 C VAL A 113 -4.738 -8.708 -5.108 1.00 71.22 C ATOM 855 O VAL A 113 -5.600 -8.817 -5.972 1.00 10.35 O ATOM 856 CB VAL A 113 -3.767 -6.391 -4.720 1.00 64.21 C ATOM 857 CG1 VAL A 113 -4.220 -5.892 -6.116 1.00 0.41 C ATOM 858 CG2 VAL A 113 -3.620 -5.209 -3.749 1.00 2.53 C ATOM 0 H VAL A 113 -3.559 -7.498 -2.416 1.00 64.04 H new ATOM 0 HA VAL A 113 -5.742 -7.053 -4.112 1.00 61.34 H new ATOM 0 HB VAL A 113 -2.789 -6.860 -4.823 1.00 64.21 H new ATOM 0 HG11 VAL A 113 -3.525 -5.133 -6.474 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -4.235 -6.729 -6.814 1.00 0.41 H new ATOM 0 HG13 VAL A 113 -5.219 -5.463 -6.042 1.00 0.41 H new ATOM 0 HG21 VAL A 113 -2.937 -4.473 -4.173 1.00 2.53 H new ATOM 0 HG22 VAL A 113 -4.595 -4.749 -3.586 1.00 2.53 H new ATOM 0 HG23 VAL A 113 -3.224 -5.566 -2.798 1.00 2.53 H new ATOM 868 N ARG A 114 -3.774 -9.630 -4.886 1.00 51.34 N ATOM 869 CA ARG A 114 -3.636 -10.867 -5.685 1.00 35.40 C ATOM 870 C ARG A 114 -4.884 -11.758 -5.555 1.00 24.10 C ATOM 871 O ARG A 114 -5.409 -12.267 -6.553 1.00 24.41 O ATOM 872 CB ARG A 114 -2.386 -11.674 -5.256 1.00 33.34 C ATOM 873 CG ARG A 114 -2.186 -12.985 -6.049 1.00 73.22 C ATOM 874 CD ARG A 114 -1.020 -13.850 -5.547 1.00 40.42 C ATOM 875 NE ARG A 114 -0.839 -15.053 -6.384 1.00 22.31 N ATOM 876 CZ ARG A 114 -0.459 -16.268 -5.939 1.00 64.41 C ATOM 877 NH1 ARG A 114 -0.211 -16.480 -4.651 1.00 54.33 N ATOM 878 NH2 ARG A 114 -0.343 -17.275 -6.797 1.00 74.43 N ATOM 0 H ARG A 114 -3.073 -9.537 -4.151 1.00 51.34 H new ATOM 0 HA ARG A 114 -3.524 -10.563 -6.726 1.00 35.40 H new ATOM 0 HB2 ARG A 114 -1.502 -11.048 -5.378 1.00 33.34 H new ATOM 0 HB3 ARG A 114 -2.465 -11.911 -4.195 1.00 33.34 H new ATOM 0 HG2 ARG A 114 -3.105 -13.570 -6.001 1.00 73.22 H new ATOM 0 HG3 ARG A 114 -2.018 -12.741 -7.098 1.00 73.22 H new ATOM 0 HD2 ARG A 114 -0.102 -13.262 -5.550 1.00 40.42 H new ATOM 0 HD3 ARG A 114 -1.205 -14.148 -4.515 1.00 40.42 H new ATOM 0 HE ARG A 114 -1.016 -14.957 -7.384 1.00 22.31 H new ATOM 0 HH11 ARG A 114 -0.307 -15.717 -3.981 1.00 54.33 H new ATOM 0 HH12 ARG A 114 0.075 -17.406 -4.332 1.00 54.33 H new ATOM 0 HH21 ARG A 114 -0.541 -17.127 -7.787 1.00 74.43 H new ATOM 0 HH22 ARG A 114 -0.056 -18.196 -6.466 1.00 74.43 H new ATOM 1319 N THR B 75 -4.975 -3.658 -11.568 1.00 43.45 N ATOM 1320 CA THR B 75 -3.595 -4.173 -11.535 1.00 31.04 C ATOM 1321 C THR B 75 -2.610 -3.014 -11.313 1.00 51.32 C ATOM 1322 O THR B 75 -1.453 -3.228 -10.929 1.00 61.03 O ATOM 1323 CB THR B 75 -3.256 -4.946 -12.847 1.00 24.44 C ATOM 1324 OG1 THR B 75 -4.286 -5.916 -13.109 1.00 25.50 O ATOM 1325 CG2 THR B 75 -1.894 -5.675 -12.778 1.00 53.33 C ATOM 0 HA THR B 75 -3.504 -4.874 -10.706 1.00 31.04 H new ATOM 0 HB THR B 75 -3.197 -4.207 -13.646 1.00 24.44 H new ATOM 0 HG1 THR B 75 -5.117 -5.637 -12.672 1.00 25.50 H new ATOM 0 HG21 THR B 75 -1.712 -6.195 -13.718 1.00 53.33 H new ATOM 0 HG22 THR B 75 -1.100 -4.948 -12.606 1.00 53.33 H new ATOM 0 HG23 THR B 75 -1.908 -6.397 -11.961 1.00 53.33 H new ATOM 1333 N ASP B 76 -3.105 -1.775 -11.557 1.00 21.31 N ATOM 1334 CA ASP B 76 -2.420 -0.543 -11.144 1.00 33.30 C ATOM 1335 C ASP B 76 -2.154 -0.576 -9.636 1.00 24.34 C ATOM 1336 O ASP B 76 -1.058 -0.259 -9.204 1.00 1.12 O ATOM 1337 CB ASP B 76 -3.247 0.709 -11.514 1.00 60.20 C ATOM 1338 CG ASP B 76 -2.511 2.026 -11.191 1.00 31.10 C ATOM 1339 OD1 ASP B 76 -1.619 2.421 -11.973 1.00 20.14 O ATOM 1340 OD2 ASP B 76 -2.811 2.663 -10.165 1.00 72.54 O ATOM 0 H ASP B 76 -3.986 -1.611 -12.044 1.00 21.31 H new ATOM 0 HA ASP B 76 -1.470 -0.485 -11.676 1.00 33.30 H new ATOM 0 HB2 ASP B 76 -3.484 0.682 -12.578 1.00 60.20 H new ATOM 0 HB3 ASP B 76 -4.194 0.686 -10.976 1.00 60.20 H new ATOM 1345 N LEU B 77 -3.167 -1.030 -8.867 1.00 75.01 N ATOM 1346 CA LEU B 77 -3.064 -1.187 -7.404 1.00 44.45 C ATOM 1347 C LEU B 77 -1.985 -2.210 -7.032 1.00 4.00 C ATOM 1348 O LEU B 77 -1.148 -1.936 -6.171 1.00 11.34 O ATOM 1349 CB LEU B 77 -4.430 -1.600 -6.789 1.00 53.14 C ATOM 1350 CG LEU B 77 -4.437 -1.844 -5.246 1.00 12.34 C ATOM 1351 CD1 LEU B 77 -3.996 -0.595 -4.465 1.00 40.41 C ATOM 1352 CD2 LEU B 77 -5.810 -2.345 -4.777 1.00 31.11 C ATOM 0 H LEU B 77 -4.076 -1.297 -9.244 1.00 75.01 H new ATOM 0 HA LEU B 77 -2.778 -0.220 -6.991 1.00 44.45 H new ATOM 0 HB2 LEU B 77 -5.159 -0.823 -7.018 1.00 53.14 H new ATOM 0 HB3 LEU B 77 -4.769 -2.511 -7.283 1.00 53.14 H new ATOM 0 HG LEU B 77 -3.705 -2.623 -5.034 1.00 12.34 H new ATOM 0 HD11 LEU B 77 -4.015 -0.809 -3.396 1.00 40.41 H new ATOM 0 HD12 LEU B 77 -2.984 -0.319 -4.762 1.00 40.41 H new ATOM 0 HD13 LEU B 77 -4.676 0.229 -4.683 1.00 40.41 H new ATOM 0 HD21 LEU B 77 -5.789 -2.507 -3.699 1.00 31.11 H new ATOM 0 HD22 LEU B 77 -6.570 -1.602 -5.017 1.00 31.11 H new ATOM 0 HD23 LEU B 77 -6.047 -3.282 -5.281 1.00 31.11 H new ATOM 1364 N LEU B 78 -2.000 -3.366 -7.727 1.00 33.34 N ATOM 1365 CA LEU B 78 -1.004 -4.447 -7.541 1.00 5.53 C ATOM 1366 C LEU B 78 0.430 -3.892 -7.748 1.00 74.15 C ATOM 1367 O LEU B 78 1.364 -4.214 -6.993 1.00 62.21 O ATOM 1368 CB LEU B 78 -1.297 -5.606 -8.538 1.00 12.23 C ATOM 1369 CG LEU B 78 -0.568 -6.959 -8.264 1.00 73.33 C ATOM 1370 CD1 LEU B 78 -1.105 -7.638 -6.982 1.00 12.20 C ATOM 1371 CD2 LEU B 78 -0.644 -7.905 -9.484 1.00 62.02 C ATOM 0 H LEU B 78 -2.703 -3.579 -8.435 1.00 33.34 H new ATOM 0 HA LEU B 78 -1.076 -4.834 -6.525 1.00 5.53 H new ATOM 0 HB2 LEU B 78 -2.371 -5.791 -8.540 1.00 12.23 H new ATOM 0 HB3 LEU B 78 -1.029 -5.271 -9.540 1.00 12.23 H new ATOM 0 HG LEU B 78 0.486 -6.734 -8.098 1.00 73.33 H new ATOM 0 HD11 LEU B 78 -0.577 -8.578 -6.819 1.00 12.20 H new ATOM 0 HD12 LEU B 78 -0.946 -6.980 -6.128 1.00 12.20 H new ATOM 0 HD13 LEU B 78 -2.171 -7.836 -7.094 1.00 12.20 H new ATOM 0 HD21 LEU B 78 -0.126 -8.836 -9.255 1.00 62.02 H new ATOM 0 HD22 LEU B 78 -1.688 -8.118 -9.715 1.00 62.02 H new ATOM 0 HD23 LEU B 78 -0.172 -7.429 -10.344 1.00 62.02 H new ATOM 1383 N SER B 79 0.551 -3.011 -8.757 1.00 44.22 N ATOM 1384 CA SER B 79 1.791 -2.290 -9.079 1.00 35.20 C ATOM 1385 C SER B 79 2.169 -1.282 -7.970 1.00 21.02 C ATOM 1386 O SER B 79 3.320 -1.264 -7.537 1.00 52.41 O ATOM 1387 CB SER B 79 1.636 -1.570 -10.442 1.00 74.54 C ATOM 1388 OG SER B 79 2.816 -0.873 -10.802 1.00 74.54 O ATOM 0 H SER B 79 -0.223 -2.778 -9.380 1.00 44.22 H new ATOM 0 HA SER B 79 2.601 -3.016 -9.145 1.00 35.20 H new ATOM 0 HB2 SER B 79 1.394 -2.300 -11.214 1.00 74.54 H new ATOM 0 HB3 SER B 79 0.801 -0.871 -10.392 1.00 74.54 H new ATOM 0 HG SER B 79 2.886 -0.052 -10.272 1.00 74.54 H new ATOM 1394 N VAL B 80 1.178 -0.478 -7.489 1.00 30.30 N ATOM 1395 CA VAL B 80 1.410 0.590 -6.481 1.00 45.54 C ATOM 1396 C VAL B 80 2.013 0.005 -5.202 1.00 14.22 C ATOM 1397 O VAL B 80 2.930 0.591 -4.631 1.00 71.15 O ATOM 1398 CB VAL B 80 0.094 1.392 -6.118 1.00 41.03 C ATOM 1399 CG1 VAL B 80 0.325 2.407 -4.967 1.00 60.41 C ATOM 1400 CG2 VAL B 80 -0.469 2.133 -7.335 1.00 33.12 C ATOM 0 H VAL B 80 0.206 -0.553 -7.788 1.00 30.30 H new ATOM 0 HA VAL B 80 2.109 1.290 -6.937 1.00 45.54 H new ATOM 0 HB VAL B 80 -0.629 0.647 -5.785 1.00 41.03 H new ATOM 0 HG11 VAL B 80 -0.606 2.933 -4.754 1.00 60.41 H new ATOM 0 HG12 VAL B 80 0.655 1.876 -4.074 1.00 60.41 H new ATOM 0 HG13 VAL B 80 1.088 3.126 -5.264 1.00 60.41 H new ATOM 0 HG21 VAL B 80 -1.372 2.672 -7.047 1.00 33.12 H new ATOM 0 HG22 VAL B 80 0.273 2.840 -7.706 1.00 33.12 H new ATOM 0 HG23 VAL B 80 -0.709 1.415 -8.119 1.00 33.12 H new ATOM 1410 N ILE B 81 1.495 -1.167 -4.779 1.00 70.05 N ATOM 1411 CA ILE B 81 1.981 -1.859 -3.576 1.00 53.32 C ATOM 1412 C ILE B 81 3.494 -2.154 -3.682 1.00 73.34 C ATOM 1413 O ILE B 81 4.262 -1.832 -2.773 1.00 23.53 O ATOM 1414 CB ILE B 81 1.203 -3.191 -3.294 1.00 71.24 C ATOM 1415 CG1 ILE B 81 -0.345 -2.985 -3.314 1.00 70.23 C ATOM 1416 CG2 ILE B 81 1.643 -3.794 -1.953 1.00 34.51 C ATOM 1417 CD1 ILE B 81 -0.897 -1.945 -2.346 1.00 24.31 C ATOM 0 H ILE B 81 0.737 -1.652 -5.258 1.00 70.05 H new ATOM 0 HA ILE B 81 1.800 -1.184 -2.739 1.00 53.32 H new ATOM 0 HB ILE B 81 1.449 -3.885 -4.098 1.00 71.24 H new ATOM 0 HG12 ILE B 81 -0.640 -2.703 -4.325 1.00 70.23 H new ATOM 0 HG13 ILE B 81 -0.821 -3.941 -3.098 1.00 70.23 H new ATOM 0 HG21 ILE B 81 1.094 -4.718 -1.772 1.00 34.51 H new ATOM 0 HG22 ILE B 81 2.712 -4.007 -1.983 1.00 34.51 H new ATOM 0 HG23 ILE B 81 1.436 -3.086 -1.150 1.00 34.51 H new ATOM 0 HD11 ILE B 81 -1.981 -1.890 -2.450 1.00 24.31 H new ATOM 0 HD12 ILE B 81 -0.644 -2.229 -1.324 1.00 24.31 H new ATOM 0 HD13 ILE B 81 -0.461 -0.971 -2.570 1.00 24.31 H new ATOM 1429 N GLU B 82 3.906 -2.724 -4.827 1.00 0.15 N ATOM 1430 CA GLU B 82 5.324 -3.050 -5.102 1.00 75.20 C ATOM 1431 C GLU B 82 6.188 -1.771 -5.127 1.00 31.22 C ATOM 1432 O GLU B 82 7.280 -1.739 -4.547 1.00 4.43 O ATOM 1433 CB GLU B 82 5.433 -3.793 -6.462 1.00 12.23 C ATOM 1434 CG GLU B 82 6.862 -4.156 -6.926 1.00 70.12 C ATOM 1435 CD GLU B 82 7.594 -5.154 -6.001 1.00 34.23 C ATOM 1436 OE1 GLU B 82 7.395 -6.384 -6.150 1.00 53.34 O ATOM 1437 OE2 GLU B 82 8.391 -4.724 -5.147 1.00 11.42 O ATOM 0 H GLU B 82 3.273 -2.972 -5.587 1.00 0.15 H new ATOM 0 HA GLU B 82 5.694 -3.694 -4.305 1.00 75.20 H new ATOM 0 HB2 GLU B 82 4.849 -4.711 -6.399 1.00 12.23 H new ATOM 0 HB3 GLU B 82 4.970 -3.173 -7.230 1.00 12.23 H new ATOM 0 HG2 GLU B 82 6.810 -4.579 -7.929 1.00 70.12 H new ATOM 0 HG3 GLU B 82 7.452 -3.242 -6.996 1.00 70.12 H new ATOM 1444 N GLU B 83 5.663 -0.729 -5.790 1.00 1.15 N ATOM 1445 CA GLU B 83 6.361 0.556 -5.984 1.00 72.35 C ATOM 1446 C GLU B 83 6.578 1.287 -4.653 1.00 21.21 C ATOM 1447 O GLU B 83 7.618 1.924 -4.458 1.00 21.21 O ATOM 1448 CB GLU B 83 5.583 1.446 -6.985 1.00 75.42 C ATOM 1449 CG GLU B 83 5.544 0.876 -8.415 1.00 31.42 C ATOM 1450 CD GLU B 83 4.735 1.739 -9.393 1.00 61.35 C ATOM 1451 OE1 GLU B 83 3.488 1.705 -9.327 1.00 54.22 O ATOM 1452 OE2 GLU B 83 5.335 2.452 -10.229 1.00 32.23 O ATOM 0 H GLU B 83 4.734 -0.753 -6.211 1.00 1.15 H new ATOM 0 HA GLU B 83 7.346 0.343 -6.401 1.00 72.35 H new ATOM 0 HB2 GLU B 83 4.562 1.575 -6.626 1.00 75.42 H new ATOM 0 HB3 GLU B 83 6.040 2.435 -7.010 1.00 75.42 H new ATOM 0 HG2 GLU B 83 6.564 0.777 -8.787 1.00 31.42 H new ATOM 0 HG3 GLU B 83 5.117 -0.126 -8.387 1.00 31.42 H new ATOM 1459 N MET B 84 5.610 1.166 -3.732 1.00 52.22 N ATOM 1460 CA MET B 84 5.746 1.684 -2.361 1.00 52.32 C ATOM 1461 C MET B 84 6.827 0.894 -1.616 1.00 13.42 C ATOM 1462 O MET B 84 7.626 1.477 -0.891 1.00 75.43 O ATOM 1463 CB MET B 84 4.396 1.622 -1.602 1.00 75.11 C ATOM 1464 CG MET B 84 3.338 2.589 -2.135 1.00 14.44 C ATOM 1465 SD MET B 84 1.829 2.590 -1.143 1.00 72.12 S ATOM 1466 CE MET B 84 1.250 0.901 -1.287 1.00 11.42 C ATOM 0 H MET B 84 4.716 0.710 -3.914 1.00 52.22 H new ATOM 0 HA MET B 84 6.044 2.731 -2.412 1.00 52.32 H new ATOM 0 HB2 MET B 84 4.006 0.606 -1.658 1.00 75.11 H new ATOM 0 HB3 MET B 84 4.573 1.838 -0.548 1.00 75.11 H new ATOM 0 HG2 MET B 84 3.752 3.597 -2.159 1.00 14.44 H new ATOM 0 HG3 MET B 84 3.092 2.321 -3.162 1.00 14.44 H new ATOM 0 HE1 MET B 84 0.232 0.831 -0.904 1.00 11.42 H new ATOM 0 HE2 MET B 84 1.265 0.599 -2.334 1.00 11.42 H new ATOM 0 HE3 MET B 84 1.900 0.243 -0.711 1.00 11.42 H new ATOM 1476 N GLY B 85 6.869 -0.427 -1.873 1.00 73.21 N ATOM 1477 CA GLY B 85 7.915 -1.308 -1.338 1.00 42.12 C ATOM 1478 C GLY B 85 9.315 -0.992 -1.876 1.00 25.03 C ATOM 1479 O GLY B 85 10.315 -1.424 -1.302 1.00 32.00 O ATOM 0 H GLY B 85 6.182 -0.908 -2.454 1.00 73.21 H new ATOM 0 HA2 GLY B 85 7.926 -1.228 -0.251 1.00 42.12 H new ATOM 0 HA3 GLY B 85 7.667 -2.342 -1.579 1.00 42.12 H new ATOM 1483 N LYS B 86 9.374 -0.246 -2.988 1.00 35.41 N ATOM 1484 CA LYS B 86 10.629 0.277 -3.573 1.00 63.55 C ATOM 1485 C LYS B 86 11.035 1.601 -2.891 1.00 64.05 C ATOM 1486 O LYS B 86 12.226 1.912 -2.791 1.00 2.24 O ATOM 1487 CB LYS B 86 10.437 0.484 -5.107 1.00 44.32 C ATOM 1488 CG LYS B 86 10.132 -0.819 -5.894 1.00 25.12 C ATOM 1489 CD LYS B 86 9.717 -0.594 -7.380 1.00 41.13 C ATOM 1490 CE LYS B 86 10.838 -0.028 -8.280 1.00 54.23 C ATOM 1491 NZ LYS B 86 11.036 1.439 -8.116 1.00 54.34 N ATOM 0 H LYS B 86 8.543 0.018 -3.518 1.00 35.41 H new ATOM 0 HA LYS B 86 11.430 -0.444 -3.407 1.00 63.55 H new ATOM 0 HB2 LYS B 86 9.623 1.191 -5.267 1.00 44.32 H new ATOM 0 HB3 LYS B 86 11.339 0.939 -5.516 1.00 44.32 H new ATOM 0 HG2 LYS B 86 11.014 -1.459 -5.869 1.00 25.12 H new ATOM 0 HG3 LYS B 86 9.333 -1.358 -5.384 1.00 25.12 H new ATOM 0 HD2 LYS B 86 9.378 -1.542 -7.797 1.00 41.13 H new ATOM 0 HD3 LYS B 86 8.867 0.088 -7.407 1.00 41.13 H new ATOM 0 HE2 LYS B 86 11.772 -0.542 -8.053 1.00 54.23 H new ATOM 0 HE3 LYS B 86 10.602 -0.242 -9.322 1.00 54.23 H new ATOM 0 HZ1 LYS B 86 11.194 1.874 -9.047 1.00 54.34 H new ATOM 0 HZ2 LYS B 86 10.190 1.857 -7.678 1.00 54.34 H new ATOM 0 HZ3 LYS B 86 11.862 1.612 -7.508 1.00 54.34 H new ATOM 1505 N GLU B 87 10.030 2.365 -2.416 1.00 23.54 N ATOM 1506 CA GLU B 87 10.244 3.676 -1.776 1.00 73.02 C ATOM 1507 C GLU B 87 10.731 3.555 -0.315 1.00 12.52 C ATOM 1508 O GLU B 87 11.390 4.466 0.171 1.00 22.24 O ATOM 1509 CB GLU B 87 8.939 4.516 -1.785 1.00 11.51 C ATOM 1510 CG GLU B 87 8.305 4.769 -3.165 1.00 74.34 C ATOM 1511 CD GLU B 87 9.263 5.411 -4.179 1.00 25.14 C ATOM 1512 OE1 GLU B 87 9.746 6.529 -3.924 1.00 43.02 O ATOM 1513 OE2 GLU B 87 9.524 4.814 -5.247 1.00 43.15 O ATOM 0 H GLU B 87 9.049 2.090 -2.466 1.00 23.54 H new ATOM 0 HA GLU B 87 11.020 4.169 -2.361 1.00 73.02 H new ATOM 0 HB2 GLU B 87 8.204 4.014 -1.157 1.00 11.51 H new ATOM 0 HB3 GLU B 87 9.149 5.480 -1.322 1.00 11.51 H new ATOM 0 HG2 GLU B 87 7.945 3.822 -3.568 1.00 74.34 H new ATOM 0 HG3 GLU B 87 7.435 5.414 -3.042 1.00 74.34 H new ATOM 1520 N ILE B 88 10.427 2.431 0.363 1.00 70.12 N ATOM 1521 CA ILE B 88 10.627 2.289 1.831 1.00 61.03 C ATOM 1522 C ILE B 88 12.115 2.355 2.230 1.00 12.11 C ATOM 1523 O ILE B 88 12.454 2.967 3.244 1.00 14.13 O ATOM 1524 CB ILE B 88 10.006 0.950 2.379 1.00 31.35 C ATOM 1525 CG1 ILE B 88 8.493 0.886 2.042 1.00 61.42 C ATOM 1526 CG2 ILE B 88 10.242 0.778 3.905 1.00 40.33 C ATOM 1527 CD1 ILE B 88 7.850 -0.450 2.322 1.00 31.13 C ATOM 0 H ILE B 88 10.039 1.599 -0.081 1.00 70.12 H new ATOM 0 HA ILE B 88 10.109 3.135 2.282 1.00 61.03 H new ATOM 0 HB ILE B 88 10.514 0.122 1.885 1.00 31.35 H new ATOM 0 HG12 ILE B 88 7.972 1.654 2.615 1.00 61.42 H new ATOM 0 HG13 ILE B 88 8.357 1.128 0.988 1.00 61.42 H new ATOM 0 HG21 ILE B 88 9.797 -0.159 4.239 1.00 40.33 H new ATOM 0 HG22 ILE B 88 11.313 0.763 4.108 1.00 40.33 H new ATOM 0 HG23 ILE B 88 9.782 1.609 4.440 1.00 40.33 H new ATOM 0 HD11 ILE B 88 6.793 -0.408 2.058 1.00 31.13 H new ATOM 0 HD12 ILE B 88 8.341 -1.222 1.729 1.00 31.13 H new ATOM 0 HD13 ILE B 88 7.951 -0.687 3.381 1.00 31.13 H new ATOM 1539 N ARG B 89 12.988 1.718 1.434 1.00 34.22 N ATOM 1540 CA ARG B 89 14.429 1.644 1.733 1.00 32.20 C ATOM 1541 C ARG B 89 15.118 3.038 1.650 1.00 25.31 C ATOM 1542 O ARG B 89 15.802 3.429 2.607 1.00 73.00 O ATOM 1543 CB ARG B 89 15.111 0.588 0.817 1.00 33.42 C ATOM 1544 CG ARG B 89 16.612 0.356 1.080 1.00 33.01 C ATOM 1545 CD ARG B 89 17.233 -0.616 0.064 1.00 52.34 C ATOM 1546 NE ARG B 89 18.666 -0.840 0.289 1.00 23.43 N ATOM 1547 CZ ARG B 89 19.531 -1.306 -0.633 1.00 52.41 C ATOM 1548 NH1 ARG B 89 19.123 -1.598 -1.871 1.00 42.21 N ATOM 1549 NH2 ARG B 89 20.803 -1.486 -0.299 1.00 42.41 N ATOM 0 H ARG B 89 12.719 1.243 0.572 1.00 34.22 H new ATOM 0 HA ARG B 89 14.548 1.318 2.766 1.00 32.20 H new ATOM 0 HB2 ARG B 89 14.588 -0.361 0.934 1.00 33.42 H new ATOM 0 HB3 ARG B 89 14.985 0.896 -0.221 1.00 33.42 H new ATOM 0 HG2 ARG B 89 17.139 1.309 1.038 1.00 33.01 H new ATOM 0 HG3 ARG B 89 16.747 -0.038 2.087 1.00 33.01 H new ATOM 0 HD2 ARG B 89 16.709 -1.570 0.115 1.00 52.34 H new ATOM 0 HD3 ARG B 89 17.085 -0.225 -0.943 1.00 52.34 H new ATOM 0 HE ARG B 89 19.036 -0.626 1.215 1.00 23.43 H new ATOM 0 HH11 ARG B 89 18.145 -1.469 -2.129 1.00 42.21 H new ATOM 0 HH12 ARG B 89 19.790 -1.950 -2.558 1.00 42.21 H new ATOM 0 HH21 ARG B 89 21.117 -1.272 0.648 1.00 42.41 H new ATOM 0 HH22 ARG B 89 21.467 -1.838 -0.989 1.00 42.41 H new ATOM 1563 N PRO B 90 14.958 3.838 0.525 1.00 14.54 N ATOM 1564 CA PRO B 90 15.428 5.247 0.505 1.00 23.43 C ATOM 1565 C PRO B 90 14.713 6.156 1.539 1.00 4.34 C ATOM 1566 O PRO B 90 15.355 7.040 2.105 1.00 52.30 O ATOM 1567 CB PRO B 90 15.192 5.715 -0.956 1.00 44.22 C ATOM 1568 CG PRO B 90 14.233 4.726 -1.552 1.00 14.20 C ATOM 1569 CD PRO B 90 14.433 3.434 -0.809 1.00 42.02 C ATOM 0 HA PRO B 90 16.475 5.316 0.799 1.00 23.43 H new ATOM 0 HB2 PRO B 90 14.780 6.724 -0.982 1.00 44.22 H new ATOM 0 HB3 PRO B 90 16.127 5.738 -1.515 1.00 44.22 H new ATOM 0 HG2 PRO B 90 13.205 5.075 -1.453 1.00 14.20 H new ATOM 0 HG3 PRO B 90 14.424 4.594 -2.617 1.00 14.20 H new ATOM 0 HD2 PRO B 90 13.497 2.883 -0.715 1.00 42.02 H new ATOM 0 HD3 PRO B 90 15.135 2.783 -1.330 1.00 42.02 H new ATOM 1577 N THR B 91 13.406 5.914 1.815 1.00 70.25 N ATOM 1578 CA THR B 91 12.661 6.626 2.897 1.00 64.23 C ATOM 1579 C THR B 91 13.369 6.439 4.255 1.00 35.44 C ATOM 1580 O THR B 91 13.613 7.405 4.995 1.00 20.21 O ATOM 1581 CB THR B 91 11.184 6.109 3.005 1.00 21.44 C ATOM 1582 OG1 THR B 91 10.469 6.455 1.810 1.00 42.21 O ATOM 1583 CG2 THR B 91 10.421 6.654 4.236 1.00 30.04 C ATOM 0 H THR B 91 12.843 5.233 1.306 1.00 70.25 H new ATOM 0 HA THR B 91 12.643 7.685 2.640 1.00 64.23 H new ATOM 0 HB THR B 91 11.242 5.028 3.129 1.00 21.44 H new ATOM 0 HG1 THR B 91 10.632 5.776 1.123 1.00 42.21 H new ATOM 0 HG21 THR B 91 9.408 6.253 4.243 1.00 30.04 H new ATOM 0 HG22 THR B 91 10.937 6.352 5.147 1.00 30.04 H new ATOM 0 HG23 THR B 91 10.380 7.742 4.186 1.00 30.04 H new ATOM 1591 N TYR B 92 13.734 5.182 4.528 1.00 43.43 N ATOM 1592 CA TYR B 92 14.459 4.792 5.730 1.00 4.45 C ATOM 1593 C TYR B 92 15.898 5.340 5.714 1.00 62.42 C ATOM 1594 O TYR B 92 16.493 5.558 6.769 1.00 15.05 O ATOM 1595 CB TYR B 92 14.450 3.248 5.890 1.00 31.34 C ATOM 1596 CG TYR B 92 15.026 2.799 7.232 1.00 54.03 C ATOM 1597 CD1 TYR B 92 14.389 3.158 8.421 1.00 33.12 C ATOM 1598 CD2 TYR B 92 16.223 2.085 7.330 1.00 75.21 C ATOM 1599 CE1 TYR B 92 14.910 2.818 9.645 1.00 43.42 C ATOM 1600 CE2 TYR B 92 16.757 1.755 8.559 1.00 30.03 C ATOM 1601 CZ TYR B 92 16.098 2.123 9.715 1.00 22.32 C ATOM 1602 OH TYR B 92 16.644 1.822 10.942 1.00 14.05 O ATOM 0 H TYR B 92 13.528 4.399 3.907 1.00 43.43 H new ATOM 0 HA TYR B 92 13.952 5.228 6.591 1.00 4.45 H new ATOM 0 HB2 TYR B 92 13.428 2.881 5.795 1.00 31.34 H new ATOM 0 HB3 TYR B 92 15.026 2.798 5.081 1.00 31.34 H new ATOM 0 HD1 TYR B 92 13.465 3.716 8.377 1.00 33.12 H new ATOM 0 HD2 TYR B 92 16.739 1.786 6.429 1.00 75.21 H new ATOM 0 HE1 TYR B 92 14.390 3.094 10.550 1.00 43.42 H new ATOM 0 HE2 TYR B 92 17.688 1.210 8.616 1.00 30.03 H new ATOM 0 HH TYR B 92 16.269 2.419 11.622 1.00 14.05 H new ATOM 1612 N ALA B 93 16.458 5.590 4.511 1.00 24.34 N ATOM 1613 CA ALA B 93 17.797 6.202 4.354 1.00 2.01 C ATOM 1614 C ALA B 93 17.766 7.730 4.572 1.00 61.10 C ATOM 1615 O ALA B 93 18.802 8.393 4.454 1.00 74.23 O ATOM 1616 CB ALA B 93 18.371 5.864 2.967 1.00 73.33 C ATOM 0 H ALA B 93 15.999 5.375 3.626 1.00 24.34 H new ATOM 0 HA ALA B 93 18.445 5.783 5.123 1.00 2.01 H new ATOM 0 HB1 ALA B 93 19.356 6.318 2.860 1.00 73.33 H new ATOM 0 HB2 ALA B 93 18.457 4.782 2.863 1.00 73.33 H new ATOM 0 HB3 ALA B 93 17.707 6.252 2.194 1.00 73.33 H new ATOM 1622 N GLY B 94 16.583 8.277 4.916 1.00 65.14 N ATOM 1623 CA GLY B 94 16.408 9.711 5.151 1.00 60.14 C ATOM 1624 C GLY B 94 16.112 10.508 3.890 1.00 73.40 C ATOM 1625 O GLY B 94 16.162 11.745 3.916 1.00 42.24 O ATOM 0 H GLY B 94 15.729 7.733 5.037 1.00 65.14 H new ATOM 0 HA2 GLY B 94 15.594 9.857 5.861 1.00 60.14 H new ATOM 0 HA3 GLY B 94 17.311 10.106 5.616 1.00 60.14 H new ATOM 1629 N SER B 95 15.809 9.818 2.780 1.00 30.23 N ATOM 1630 CA SER B 95 15.429 10.466 1.513 1.00 51.14 C ATOM 1631 C SER B 95 13.936 10.867 1.528 1.00 61.43 C ATOM 1632 O SER B 95 13.050 10.010 1.363 1.00 24.33 O ATOM 1633 CB SER B 95 15.730 9.535 0.316 1.00 51.33 C ATOM 1634 OG SER B 95 17.087 9.113 0.322 1.00 61.10 O ATOM 0 H SER B 95 15.820 8.799 2.734 1.00 30.23 H new ATOM 0 HA SER B 95 16.023 11.373 1.402 1.00 51.14 H new ATOM 0 HB2 SER B 95 15.075 8.664 0.355 1.00 51.33 H new ATOM 0 HB3 SER B 95 15.512 10.055 -0.617 1.00 51.33 H new ATOM 0 HG SER B 95 17.250 8.524 -0.444 1.00 61.10 H new ATOM 1640 N LYS B 96 13.678 12.173 1.749 1.00 43.23 N ATOM 1641 CA LYS B 96 12.316 12.762 1.747 1.00 54.20 C ATOM 1642 C LYS B 96 11.656 12.701 0.359 1.00 62.44 C ATOM 1643 O LYS B 96 10.423 12.771 0.259 1.00 23.20 O ATOM 1644 CB LYS B 96 12.352 14.217 2.272 1.00 23.05 C ATOM 1645 CG LYS B 96 13.193 15.198 1.425 1.00 71.31 C ATOM 1646 CD LYS B 96 13.241 16.615 2.038 1.00 32.23 C ATOM 1647 CE LYS B 96 13.928 17.628 1.114 1.00 45.14 C ATOM 1648 NZ LYS B 96 13.849 19.008 1.661 1.00 25.21 N ATOM 0 H LYS B 96 14.412 12.856 1.936 1.00 43.23 H new ATOM 0 HA LYS B 96 11.704 12.160 2.418 1.00 54.20 H new ATOM 0 HB2 LYS B 96 11.330 14.592 2.327 1.00 23.05 H new ATOM 0 HB3 LYS B 96 12.744 14.210 3.289 1.00 23.05 H new ATOM 0 HG2 LYS B 96 14.208 14.812 1.329 1.00 71.31 H new ATOM 0 HG3 LYS B 96 12.777 15.254 0.419 1.00 71.31 H new ATOM 0 HD2 LYS B 96 12.226 16.951 2.250 1.00 32.23 H new ATOM 0 HD3 LYS B 96 13.770 16.578 2.990 1.00 32.23 H new ATOM 0 HE2 LYS B 96 14.973 17.348 0.979 1.00 45.14 H new ATOM 0 HE3 LYS B 96 13.461 17.599 0.130 1.00 45.14 H new ATOM 0 HZ1 LYS B 96 14.323 19.667 1.011 1.00 25.21 H new ATOM 0 HZ2 LYS B 96 12.852 19.283 1.766 1.00 25.21 H new ATOM 0 HZ3 LYS B 96 14.317 19.041 2.589 1.00 25.21 H new ATOM 1662 N SER B 97 12.486 12.585 -0.698 1.00 1.41 N ATOM 1663 CA SER B 97 12.011 12.404 -2.083 1.00 51.31 C ATOM 1664 C SER B 97 11.151 11.132 -2.189 1.00 21.21 C ATOM 1665 O SER B 97 10.003 11.174 -2.639 1.00 3.31 O ATOM 1666 CB SER B 97 13.206 12.310 -3.060 1.00 60.32 C ATOM 1667 OG SER B 97 14.103 13.399 -2.892 1.00 63.22 O ATOM 0 H SER B 97 13.502 12.614 -0.615 1.00 1.41 H new ATOM 0 HA SER B 97 11.405 13.269 -2.352 1.00 51.31 H new ATOM 0 HB2 SER B 97 13.737 11.372 -2.898 1.00 60.32 H new ATOM 0 HB3 SER B 97 12.838 12.295 -4.086 1.00 60.32 H new ATOM 0 HG SER B 97 14.848 13.309 -3.522 1.00 63.22 H new ATOM 1673 N ALA B 98 11.729 10.019 -1.706 1.00 45.12 N ATOM 1674 CA ALA B 98 11.093 8.699 -1.719 1.00 12.30 C ATOM 1675 C ALA B 98 9.947 8.640 -0.715 1.00 51.14 C ATOM 1676 O ALA B 98 8.948 7.976 -0.960 1.00 22.02 O ATOM 1677 CB ALA B 98 12.124 7.618 -1.397 1.00 32.54 C ATOM 0 H ALA B 98 12.661 10.015 -1.292 1.00 45.12 H new ATOM 0 HA ALA B 98 10.688 8.523 -2.715 1.00 12.30 H new ATOM 0 HB1 ALA B 98 11.642 6.640 -1.409 1.00 32.54 H new ATOM 0 HB2 ALA B 98 12.919 7.640 -2.142 1.00 32.54 H new ATOM 0 HB3 ALA B 98 12.547 7.802 -0.410 1.00 32.54 H new ATOM 1683 N MET B 99 10.119 9.351 0.412 1.00 24.12 N ATOM 1684 CA MET B 99 9.162 9.370 1.525 1.00 3.32 C ATOM 1685 C MET B 99 7.819 9.997 1.118 1.00 51.40 C ATOM 1686 O MET B 99 6.769 9.447 1.440 1.00 34.41 O ATOM 1687 CB MET B 99 9.802 10.101 2.734 1.00 43.21 C ATOM 1688 CG MET B 99 8.923 10.196 3.997 1.00 73.43 C ATOM 1689 SD MET B 99 7.650 11.469 3.893 1.00 2.15 S ATOM 1690 CE MET B 99 8.652 12.944 3.729 1.00 42.54 C ATOM 0 H MET B 99 10.939 9.936 0.575 1.00 24.12 H new ATOM 0 HA MET B 99 8.936 8.343 1.814 1.00 3.32 H new ATOM 0 HB2 MET B 99 10.729 9.590 2.996 1.00 43.21 H new ATOM 0 HB3 MET B 99 10.072 11.111 2.424 1.00 43.21 H new ATOM 0 HG2 MET B 99 8.447 9.231 4.172 1.00 73.43 H new ATOM 0 HG3 MET B 99 9.559 10.399 4.858 1.00 73.43 H new ATOM 0 HE1 MET B 99 8.266 13.721 4.389 1.00 42.54 H new ATOM 0 HE2 MET B 99 9.683 12.716 4.001 1.00 42.54 H new ATOM 0 HE3 MET B 99 8.618 13.294 2.697 1.00 42.54 H new ATOM 1700 N GLU B 100 7.858 11.140 0.397 1.00 2.04 N ATOM 1701 CA GLU B 100 6.631 11.823 -0.072 1.00 44.45 C ATOM 1702 C GLU B 100 5.967 11.029 -1.217 1.00 62.21 C ATOM 1703 O GLU B 100 4.744 11.039 -1.357 1.00 5.03 O ATOM 1704 CB GLU B 100 6.935 13.278 -0.520 1.00 51.34 C ATOM 1705 CG GLU B 100 5.678 14.080 -0.941 1.00 2.44 C ATOM 1706 CD GLU B 100 5.980 15.529 -1.334 1.00 13.23 C ATOM 1707 OE1 GLU B 100 6.441 15.753 -2.473 1.00 34.20 O ATOM 1708 OE2 GLU B 100 5.777 16.453 -0.504 1.00 2.34 O ATOM 0 H GLU B 100 8.723 11.608 0.128 1.00 2.04 H new ATOM 0 HA GLU B 100 5.934 11.868 0.765 1.00 44.45 H new ATOM 0 HB2 GLU B 100 7.432 13.803 0.296 1.00 51.34 H new ATOM 0 HB3 GLU B 100 7.634 13.252 -1.356 1.00 51.34 H new ATOM 0 HG2 GLU B 100 5.200 13.576 -1.781 1.00 2.44 H new ATOM 0 HG3 GLU B 100 4.963 14.077 -0.119 1.00 2.44 H new ATOM 1715 N ARG B 101 6.796 10.336 -2.017 1.00 51.34 N ATOM 1716 CA ARG B 101 6.323 9.414 -3.076 1.00 34.32 C ATOM 1717 C ARG B 101 5.686 8.154 -2.458 1.00 14.32 C ATOM 1718 O ARG B 101 4.769 7.563 -3.036 1.00 45.10 O ATOM 1719 CB ARG B 101 7.494 9.025 -4.007 1.00 73.34 C ATOM 1720 CG ARG B 101 7.939 10.127 -4.986 1.00 62.43 C ATOM 1721 CD ARG B 101 9.208 9.741 -5.784 1.00 33.25 C ATOM 1722 NE ARG B 101 9.220 8.324 -6.219 1.00 24.42 N ATOM 1723 CZ ARG B 101 9.483 7.865 -7.460 1.00 74.13 C ATOM 1724 NH1 ARG B 101 9.745 8.696 -8.476 1.00 4.13 N ATOM 1725 NH2 ARG B 101 9.535 6.552 -7.654 1.00 1.11 N ATOM 0 H ARG B 101 7.812 10.396 -1.952 1.00 51.34 H new ATOM 0 HA ARG B 101 5.562 9.926 -3.665 1.00 34.32 H new ATOM 0 HB2 ARG B 101 8.348 8.739 -3.393 1.00 73.34 H new ATOM 0 HB3 ARG B 101 7.205 8.145 -4.581 1.00 73.34 H new ATOM 0 HG2 ARG B 101 7.127 10.338 -5.682 1.00 62.43 H new ATOM 0 HG3 ARG B 101 8.129 11.045 -4.431 1.00 62.43 H new ATOM 0 HD2 ARG B 101 9.286 10.383 -6.661 1.00 33.25 H new ATOM 0 HD3 ARG B 101 10.087 9.932 -5.169 1.00 33.25 H new ATOM 0 HE ARG B 101 9.008 7.625 -5.507 1.00 24.42 H new ATOM 0 HH11 ARG B 101 9.749 9.704 -8.322 1.00 4.13 H new ATOM 0 HH12 ARG B 101 9.941 8.321 -9.404 1.00 4.13 H new ATOM 0 HH21 ARG B 101 9.378 5.915 -6.873 1.00 1.11 H new ATOM 0 HH22 ARG B 101 9.732 6.181 -8.584 1.00 1.11 H new ATOM 1739 N LEU B 102 6.190 7.772 -1.281 1.00 50.22 N ATOM 1740 CA LEU B 102 5.687 6.637 -0.492 1.00 43.11 C ATOM 1741 C LEU B 102 4.322 6.996 0.114 1.00 20.41 C ATOM 1742 O LEU B 102 3.391 6.184 0.090 1.00 3.31 O ATOM 1743 CB LEU B 102 6.728 6.287 0.605 1.00 23.34 C ATOM 1744 CG LEU B 102 6.385 5.128 1.582 1.00 72.41 C ATOM 1745 CD1 LEU B 102 6.021 3.825 0.850 1.00 12.12 C ATOM 1746 CD2 LEU B 102 7.544 4.901 2.568 1.00 44.42 C ATOM 0 H LEU B 102 6.975 8.251 -0.839 1.00 50.22 H new ATOM 0 HA LEU B 102 5.548 5.761 -1.126 1.00 43.11 H new ATOM 0 HB2 LEU B 102 7.667 6.041 0.110 1.00 23.34 H new ATOM 0 HB3 LEU B 102 6.905 7.184 1.198 1.00 23.34 H new ATOM 0 HG LEU B 102 5.498 5.427 2.140 1.00 72.41 H new ATOM 0 HD11 LEU B 102 5.791 3.049 1.580 1.00 12.12 H new ATOM 0 HD12 LEU B 102 5.152 3.995 0.215 1.00 12.12 H new ATOM 0 HD13 LEU B 102 6.863 3.506 0.235 1.00 12.12 H new ATOM 0 HD21 LEU B 102 7.290 4.086 3.246 1.00 44.42 H new ATOM 0 HD22 LEU B 102 8.447 4.644 2.015 1.00 44.42 H new ATOM 0 HD23 LEU B 102 7.717 5.811 3.142 1.00 44.42 H new ATOM 1758 N LYS B 103 4.219 8.241 0.633 1.00 11.34 N ATOM 1759 CA LYS B 103 2.953 8.804 1.138 1.00 64.32 C ATOM 1760 C LYS B 103 1.931 8.893 0.009 1.00 30.45 C ATOM 1761 O LYS B 103 0.802 8.442 0.169 1.00 52.43 O ATOM 1762 CB LYS B 103 3.162 10.201 1.784 1.00 25.41 C ATOM 1763 CG LYS B 103 4.085 10.202 3.020 1.00 34.32 C ATOM 1764 CD LYS B 103 4.213 11.595 3.677 1.00 11.13 C ATOM 1765 CE LYS B 103 2.892 12.088 4.288 1.00 51.03 C ATOM 1766 NZ LYS B 103 3.028 13.452 4.864 1.00 11.54 N ATOM 0 H LYS B 103 5.011 8.879 0.712 1.00 11.34 H new ATOM 0 HA LYS B 103 2.578 8.135 1.912 1.00 64.32 H new ATOM 0 HB2 LYS B 103 3.578 10.875 1.035 1.00 25.41 H new ATOM 0 HB3 LYS B 103 2.191 10.604 2.071 1.00 25.41 H new ATOM 0 HG2 LYS B 103 3.701 9.494 3.754 1.00 34.32 H new ATOM 0 HG3 LYS B 103 5.075 9.852 2.728 1.00 34.32 H new ATOM 0 HD2 LYS B 103 4.976 11.556 4.455 1.00 11.13 H new ATOM 0 HD3 LYS B 103 4.554 12.313 2.932 1.00 11.13 H new ATOM 0 HE2 LYS B 103 2.116 12.092 3.523 1.00 51.03 H new ATOM 0 HE3 LYS B 103 2.570 11.395 5.065 1.00 51.03 H new ATOM 0 HZ1 LYS B 103 2.117 13.751 5.267 1.00 11.54 H new ATOM 0 HZ2 LYS B 103 3.751 13.443 5.612 1.00 11.54 H new ATOM 0 HZ3 LYS B 103 3.311 14.118 4.117 1.00 11.54 H new ATOM 1780 N ARG B 104 2.368 9.420 -1.149 1.00 32.24 N ATOM 1781 CA ARG B 104 1.509 9.557 -2.336 1.00 60.44 C ATOM 1782 C ARG B 104 1.043 8.176 -2.818 1.00 40.04 C ATOM 1783 O ARG B 104 -0.063 8.041 -3.334 1.00 40.44 O ATOM 1784 CB ARG B 104 2.231 10.289 -3.494 1.00 33.01 C ATOM 1785 CG ARG B 104 1.324 10.533 -4.719 1.00 24.21 C ATOM 1786 CD ARG B 104 2.023 11.231 -5.890 1.00 64.30 C ATOM 1787 NE ARG B 104 1.094 11.408 -7.019 1.00 72.22 N ATOM 1788 CZ ARG B 104 1.365 12.052 -8.162 1.00 74.03 C ATOM 1789 NH1 ARG B 104 2.560 12.596 -8.372 1.00 4.24 N ATOM 1790 NH2 ARG B 104 0.437 12.134 -9.106 1.00 64.23 N ATOM 0 H ARG B 104 3.320 9.760 -1.287 1.00 32.24 H new ATOM 0 HA ARG B 104 0.648 10.157 -2.042 1.00 60.44 H new ATOM 0 HB2 ARG B 104 2.607 11.246 -3.132 1.00 33.01 H new ATOM 0 HB3 ARG B 104 3.097 9.703 -3.802 1.00 33.01 H new ATOM 0 HG2 ARG B 104 0.932 9.576 -5.063 1.00 24.21 H new ATOM 0 HG3 ARG B 104 0.469 11.135 -4.410 1.00 24.21 H new ATOM 0 HD2 ARG B 104 2.401 12.201 -5.568 1.00 64.30 H new ATOM 0 HD3 ARG B 104 2.884 10.643 -6.209 1.00 64.30 H new ATOM 0 HE ARG B 104 0.162 11.005 -6.922 1.00 72.22 H new ATOM 0 HH11 ARG B 104 3.285 12.526 -7.658 1.00 4.24 H new ATOM 0 HH12 ARG B 104 2.752 13.083 -9.247 1.00 4.24 H new ATOM 0 HH21 ARG B 104 -0.478 11.708 -8.960 1.00 64.23 H new ATOM 0 HH22 ARG B 104 0.638 12.623 -9.978 1.00 64.23 H new ATOM 1804 N GLY B 105 1.909 7.167 -2.615 1.00 64.42 N ATOM 1805 CA GLY B 105 1.575 5.780 -2.896 1.00 14.02 C ATOM 1806 C GLY B 105 0.396 5.285 -2.072 1.00 71.23 C ATOM 1807 O GLY B 105 -0.436 4.546 -2.577 1.00 4.51 O ATOM 0 H GLY B 105 2.853 7.301 -2.253 1.00 64.42 H new ATOM 0 HA2 GLY B 105 1.343 5.673 -3.956 1.00 14.02 H new ATOM 0 HA3 GLY B 105 2.443 5.153 -2.695 1.00 14.02 H new ATOM 1811 N ILE B 106 0.324 5.714 -0.795 1.00 33.11 N ATOM 1812 CA ILE B 106 -0.836 5.417 0.082 1.00 4.03 C ATOM 1813 C ILE B 106 -2.107 6.148 -0.420 1.00 42.43 C ATOM 1814 O ILE B 106 -3.162 5.535 -0.504 1.00 22.11 O ATOM 1815 CB ILE B 106 -0.536 5.728 1.615 1.00 52.14 C ATOM 1816 CG1 ILE B 106 0.171 4.512 2.314 1.00 24.31 C ATOM 1817 CG2 ILE B 106 -1.805 6.138 2.422 1.00 62.04 C ATOM 1818 CD1 ILE B 106 1.540 4.128 1.785 1.00 61.13 C ATOM 0 H ILE B 106 1.053 6.267 -0.345 1.00 33.11 H new ATOM 0 HA ILE B 106 -1.021 4.344 0.023 1.00 4.03 H new ATOM 0 HB ILE B 106 0.135 6.587 1.615 1.00 52.14 H new ATOM 0 HG12 ILE B 106 0.267 4.738 3.376 1.00 24.31 H new ATOM 0 HG13 ILE B 106 -0.483 3.644 2.231 1.00 24.31 H new ATOM 0 HG21 ILE B 106 -1.529 6.336 3.458 1.00 62.04 H new ATOM 0 HG22 ILE B 106 -2.240 7.037 1.984 1.00 62.04 H new ATOM 0 HG23 ILE B 106 -2.535 5.329 2.389 1.00 62.04 H new ATOM 0 HD11 ILE B 106 1.922 3.277 2.348 1.00 61.13 H new ATOM 0 HD12 ILE B 106 1.461 3.860 0.731 1.00 61.13 H new ATOM 0 HD13 ILE B 106 2.222 4.971 1.895 1.00 61.13 H new ATOM 1830 N ILE B 107 -1.988 7.445 -0.782 1.00 61.41 N ATOM 1831 CA ILE B 107 -3.123 8.233 -1.349 1.00 44.13 C ATOM 1832 C ILE B 107 -3.649 7.544 -2.637 1.00 40.30 C ATOM 1833 O ILE B 107 -4.869 7.390 -2.836 1.00 41.02 O ATOM 1834 CB ILE B 107 -2.709 9.740 -1.652 1.00 11.04 C ATOM 1835 CG1 ILE B 107 -2.637 10.609 -0.348 1.00 23.15 C ATOM 1836 CG2 ILE B 107 -3.667 10.412 -2.673 1.00 21.44 C ATOM 1837 CD1 ILE B 107 -1.600 10.204 0.682 1.00 55.24 C ATOM 0 H ILE B 107 -1.121 7.975 -0.694 1.00 61.41 H new ATOM 0 HA ILE B 107 -3.917 8.262 -0.603 1.00 44.13 H new ATOM 0 HB ILE B 107 -1.712 9.692 -2.089 1.00 11.04 H new ATOM 0 HG12 ILE B 107 -2.444 11.642 -0.637 1.00 23.15 H new ATOM 0 HG13 ILE B 107 -3.617 10.589 0.129 1.00 23.15 H new ATOM 0 HG21 ILE B 107 -3.347 11.439 -2.850 1.00 21.44 H new ATOM 0 HG22 ILE B 107 -3.645 9.858 -3.611 1.00 21.44 H new ATOM 0 HG23 ILE B 107 -4.682 10.411 -2.275 1.00 21.44 H new ATOM 0 HD11 ILE B 107 -1.650 10.881 1.535 1.00 55.24 H new ATOM 0 HD12 ILE B 107 -1.797 9.185 1.015 1.00 55.24 H new ATOM 0 HD13 ILE B 107 -0.606 10.254 0.237 1.00 55.24 H new ATOM 1849 N HIS B 108 -2.697 7.082 -3.451 1.00 35.44 N ATOM 1850 CA HIS B 108 -2.937 6.459 -4.760 1.00 5.24 C ATOM 1851 C HIS B 108 -3.665 5.120 -4.557 1.00 54.14 C ATOM 1852 O HIS B 108 -4.743 4.897 -5.116 1.00 33.03 O ATOM 1853 CB HIS B 108 -1.566 6.257 -5.471 1.00 63.00 C ATOM 1854 CG HIS B 108 -1.610 5.849 -6.912 1.00 2.33 C ATOM 1855 ND1 HIS B 108 -0.489 5.870 -7.712 1.00 2.20 N ATOM 1856 CD2 HIS B 108 -2.617 5.436 -7.715 1.00 34.21 C ATOM 1857 CE1 HIS B 108 -0.807 5.491 -8.928 1.00 61.14 C ATOM 1858 NE2 HIS B 108 -2.087 5.220 -8.955 1.00 63.04 N ATOM 0 H HIS B 108 -1.707 7.131 -3.212 1.00 35.44 H new ATOM 0 HA HIS B 108 -3.565 7.094 -5.384 1.00 5.24 H new ATOM 0 HB2 HIS B 108 -1.004 7.188 -5.398 1.00 63.00 H new ATOM 0 HB3 HIS B 108 -1.005 5.502 -4.920 1.00 63.00 H new ATOM 0 HD2 HIS B 108 -3.650 5.302 -7.428 1.00 34.21 H new ATOM 0 HE1 HIS B 108 -0.128 5.416 -9.764 1.00 61.14 H new ATOM 0 HE2 HIS B 108 -2.606 4.899 -9.772 1.00 63.04 H new ATOM 1867 N ALA B 109 -3.082 4.280 -3.694 1.00 71.20 N ATOM 1868 CA ALA B 109 -3.564 2.918 -3.424 1.00 65.20 C ATOM 1869 C ALA B 109 -4.939 2.937 -2.739 1.00 30.22 C ATOM 1870 O ALA B 109 -5.807 2.124 -3.056 1.00 13.43 O ATOM 1871 CB ALA B 109 -2.541 2.160 -2.571 1.00 3.01 C ATOM 0 H ALA B 109 -2.252 4.529 -3.156 1.00 71.20 H new ATOM 0 HA ALA B 109 -3.681 2.401 -4.376 1.00 65.20 H new ATOM 0 HB1 ALA B 109 -2.906 1.152 -2.376 1.00 3.01 H new ATOM 0 HB2 ALA B 109 -1.592 2.105 -3.104 1.00 3.01 H new ATOM 0 HB3 ALA B 109 -2.397 2.683 -1.626 1.00 3.01 H new ATOM 1877 N ARG B 110 -5.131 3.907 -1.837 1.00 65.24 N ATOM 1878 CA ARG B 110 -6.377 4.064 -1.055 1.00 70.03 C ATOM 1879 C ARG B 110 -7.514 4.508 -1.989 1.00 41.25 C ATOM 1880 O ARG B 110 -8.654 4.090 -1.818 1.00 64.22 O ATOM 1881 CB ARG B 110 -6.140 5.085 0.112 1.00 33.42 C ATOM 1882 CG ARG B 110 -7.195 5.122 1.250 1.00 11.32 C ATOM 1883 CD ARG B 110 -8.455 5.934 0.905 1.00 13.15 C ATOM 1884 NE ARG B 110 -8.137 7.329 0.532 1.00 25.44 N ATOM 1885 CZ ARG B 110 -7.894 8.330 1.401 1.00 51.15 C ATOM 1886 NH1 ARG B 110 -7.923 8.129 2.717 1.00 23.33 N ATOM 1887 NH2 ARG B 110 -7.632 9.536 0.950 1.00 71.34 N ATOM 0 H ARG B 110 -4.426 4.612 -1.623 1.00 65.24 H new ATOM 0 HA ARG B 110 -6.666 3.113 -0.608 1.00 70.03 H new ATOM 0 HB2 ARG B 110 -5.170 4.868 0.558 1.00 33.42 H new ATOM 0 HB3 ARG B 110 -6.075 6.083 -0.321 1.00 33.42 H new ATOM 0 HG2 ARG B 110 -7.488 4.101 1.494 1.00 11.32 H new ATOM 0 HG3 ARG B 110 -6.736 5.544 2.144 1.00 11.32 H new ATOM 0 HD2 ARG B 110 -8.982 5.451 0.082 1.00 13.15 H new ATOM 0 HD3 ARG B 110 -9.131 5.934 1.760 1.00 13.15 H new ATOM 0 HE ARG B 110 -8.098 7.552 -0.463 1.00 25.44 H new ATOM 0 HH11 ARG B 110 -8.132 7.202 3.087 1.00 23.33 H new ATOM 0 HH12 ARG B 110 -7.736 8.902 3.355 1.00 23.33 H new ATOM 0 HH21 ARG B 110 -7.613 9.712 -0.055 1.00 71.34 H new ATOM 0 HH22 ARG B 110 -7.448 10.296 1.604 1.00 71.34 H new ATOM 1901 N ALA B 111 -7.174 5.336 -2.997 1.00 21.52 N ATOM 1902 CA ALA B 111 -8.140 5.824 -4.007 1.00 73.21 C ATOM 1903 C ALA B 111 -8.588 4.676 -4.933 1.00 5.22 C ATOM 1904 O ALA B 111 -9.744 4.617 -5.345 1.00 11.14 O ATOM 1905 CB ALA B 111 -7.518 6.967 -4.827 1.00 21.41 C ATOM 0 H ALA B 111 -6.226 5.685 -3.135 1.00 21.52 H new ATOM 0 HA ALA B 111 -9.020 6.204 -3.488 1.00 73.21 H new ATOM 0 HB1 ALA B 111 -8.238 7.318 -5.567 1.00 21.41 H new ATOM 0 HB2 ALA B 111 -7.251 7.789 -4.162 1.00 21.41 H new ATOM 0 HB3 ALA B 111 -6.623 6.606 -5.334 1.00 21.41 H new ATOM 1911 N LEU B 112 -7.643 3.764 -5.229 1.00 4.20 N ATOM 1912 CA LEU B 112 -7.880 2.579 -6.082 1.00 34.51 C ATOM 1913 C LEU B 112 -8.847 1.598 -5.405 1.00 5.43 C ATOM 1914 O LEU B 112 -9.844 1.190 -6.011 1.00 20.14 O ATOM 1915 CB LEU B 112 -6.532 1.885 -6.398 1.00 11.00 C ATOM 1916 CG LEU B 112 -5.573 2.693 -7.324 1.00 23.13 C ATOM 1917 CD1 LEU B 112 -4.128 2.192 -7.200 1.00 63.53 C ATOM 1918 CD2 LEU B 112 -6.046 2.652 -8.794 1.00 23.41 C ATOM 0 H LEU B 112 -6.686 3.827 -4.882 1.00 4.20 H new ATOM 0 HA LEU B 112 -8.339 2.907 -7.015 1.00 34.51 H new ATOM 0 HB2 LEU B 112 -6.018 1.680 -5.459 1.00 11.00 H new ATOM 0 HB3 LEU B 112 -6.738 0.922 -6.866 1.00 11.00 H new ATOM 0 HG LEU B 112 -5.597 3.732 -6.994 1.00 23.13 H new ATOM 0 HD11 LEU B 112 -3.483 2.775 -7.858 1.00 63.53 H new ATOM 0 HD12 LEU B 112 -3.791 2.304 -6.169 1.00 63.53 H new ATOM 0 HD13 LEU B 112 -4.082 1.141 -7.485 1.00 63.53 H new ATOM 0 HD21 LEU B 112 -5.356 3.225 -9.414 1.00 23.41 H new ATOM 0 HD22 LEU B 112 -6.072 1.618 -9.139 1.00 23.41 H new ATOM 0 HD23 LEU B 112 -7.044 3.084 -8.867 1.00 23.41 H new ATOM 1930 N VAL B 113 -8.543 1.247 -4.138 1.00 11.35 N ATOM 1931 CA VAL B 113 -9.363 0.307 -3.347 1.00 22.34 C ATOM 1932 C VAL B 113 -10.758 0.914 -3.088 1.00 64.13 C ATOM 1933 O VAL B 113 -11.773 0.235 -3.265 1.00 12.25 O ATOM 1934 CB VAL B 113 -8.696 -0.066 -1.966 1.00 13.32 C ATOM 1935 CG1 VAL B 113 -9.502 -1.159 -1.234 1.00 21.33 C ATOM 1936 CG2 VAL B 113 -7.226 -0.498 -2.119 1.00 42.42 C ATOM 0 H VAL B 113 -7.729 1.604 -3.638 1.00 11.35 H new ATOM 0 HA VAL B 113 -9.448 -0.609 -3.932 1.00 22.34 H new ATOM 0 HB VAL B 113 -8.708 0.842 -1.363 1.00 13.32 H new ATOM 0 HG11 VAL B 113 -9.018 -1.395 -0.286 1.00 21.33 H new ATOM 0 HG12 VAL B 113 -10.514 -0.800 -1.045 1.00 21.33 H new ATOM 0 HG13 VAL B 113 -9.544 -2.055 -1.853 1.00 21.33 H new ATOM 0 HG21 VAL B 113 -6.815 -0.743 -1.140 1.00 42.42 H new ATOM 0 HG22 VAL B 113 -7.169 -1.373 -2.766 1.00 42.42 H new ATOM 0 HG23 VAL B 113 -6.651 0.317 -2.560 1.00 42.42 H new ATOM 1946 N ARG B 114 -10.784 2.219 -2.715 1.00 62.00 N ATOM 1947 CA ARG B 114 -12.033 2.937 -2.374 1.00 42.54 C ATOM 1948 C ARG B 114 -12.978 3.032 -3.588 1.00 40.44 C ATOM 1949 O ARG B 114 -14.175 2.749 -3.461 1.00 43.51 O ATOM 1950 CB ARG B 114 -11.762 4.359 -1.801 1.00 23.25 C ATOM 1951 CG ARG B 114 -13.051 5.154 -1.478 1.00 33.51 C ATOM 1952 CD ARG B 114 -12.818 6.540 -0.849 1.00 4.13 C ATOM 1953 NE ARG B 114 -14.098 7.285 -0.743 1.00 4.24 N ATOM 1954 CZ ARG B 114 -14.570 7.913 0.349 1.00 51.13 C ATOM 1955 NH1 ARG B 114 -13.886 7.913 1.486 1.00 53.53 N ATOM 1956 NH2 ARG B 114 -15.745 8.535 0.291 1.00 33.34 N ATOM 0 H ARG B 114 -9.946 2.796 -2.643 1.00 62.00 H new ATOM 0 HA ARG B 114 -12.518 2.349 -1.595 1.00 42.54 H new ATOM 0 HB2 ARG B 114 -11.164 4.268 -0.894 1.00 23.25 H new ATOM 0 HB3 ARG B 114 -11.167 4.924 -2.519 1.00 23.25 H new ATOM 0 HG2 ARG B 114 -13.623 5.280 -2.397 1.00 33.51 H new ATOM 0 HG3 ARG B 114 -13.665 4.562 -0.799 1.00 33.51 H new ATOM 0 HD2 ARG B 114 -12.373 6.427 0.140 1.00 4.13 H new ATOM 0 HD3 ARG B 114 -12.110 7.106 -1.454 1.00 4.13 H new ATOM 0 HE ARG B 114 -14.677 7.325 -1.582 1.00 4.24 H new ATOM 0 HH11 ARG B 114 -12.988 7.432 1.541 1.00 53.53 H new ATOM 0 HH12 ARG B 114 -14.258 8.394 2.305 1.00 53.53 H new ATOM 0 HH21 ARG B 114 -16.281 8.533 -0.577 1.00 33.34 H new ATOM 0 HH22 ARG B 114 -16.110 9.013 1.115 1.00 33.34 H new ATOM 1970 N GLU B 115 -12.432 3.406 -4.759 1.00 1.11 N ATOM 1971 CA GLU B 115 -13.213 3.474 -6.014 1.00 74.00 C ATOM 1972 C GLU B 115 -13.650 2.065 -6.462 1.00 3.54 C ATOM 1973 O GLU B 115 -14.733 1.917 -7.033 1.00 23.55 O ATOM 1974 CB GLU B 115 -12.432 4.190 -7.149 1.00 23.43 C ATOM 1975 CG GLU B 115 -12.325 5.724 -6.995 1.00 60.25 C ATOM 1976 CD GLU B 115 -11.656 6.404 -8.202 1.00 21.22 C ATOM 1977 OE1 GLU B 115 -12.257 6.395 -9.299 1.00 55.01 O ATOM 1978 OE2 GLU B 115 -10.539 6.947 -8.072 1.00 15.02 O ATOM 0 H GLU B 115 -11.452 3.667 -4.866 1.00 1.11 H new ATOM 0 HA GLU B 115 -14.103 4.068 -5.807 1.00 74.00 H new ATOM 0 HB2 GLU B 115 -11.426 3.773 -7.198 1.00 23.43 H new ATOM 0 HB3 GLU B 115 -12.916 3.967 -8.100 1.00 23.43 H new ATOM 0 HG2 GLU B 115 -13.323 6.140 -6.857 1.00 60.25 H new ATOM 0 HG3 GLU B 115 -11.757 5.954 -6.094 1.00 60.25 H new ATOM 1985 N CYS B 116 -12.830 1.040 -6.157 1.00 1.01 N ATOM 1986 CA CYS B 116 -13.126 -0.359 -6.521 1.00 30.11 C ATOM 1987 C CYS B 116 -14.285 -0.912 -5.683 1.00 4.01 C ATOM 1988 O CYS B 116 -15.053 -1.738 -6.178 1.00 0.13 O ATOM 1989 CB CYS B 116 -11.876 -1.236 -6.356 1.00 51.25 C ATOM 1990 SG CYS B 116 -12.116 -2.962 -6.815 1.00 63.14 S ATOM 0 H CYS B 116 -11.950 1.157 -5.655 1.00 1.01 H new ATOM 0 HA CYS B 116 -13.427 -0.378 -7.568 1.00 30.11 H new ATOM 0 HB2 CYS B 116 -11.072 -0.819 -6.962 1.00 51.25 H new ATOM 0 HB3 CYS B 116 -11.549 -1.190 -5.317 1.00 51.25 H new ATOM 0 HG CYS B 116 -13.377 -3.263 -6.726 1.00 63.14 H new ATOM 1996 N LEU B 117 -14.440 -0.388 -4.438 1.00 1.13 N ATOM 1997 CA LEU B 117 -15.540 -0.761 -3.512 1.00 21.30 C ATOM 1998 C LEU B 117 -16.928 -0.621 -4.174 1.00 41.31 C ATOM 1999 O LEU B 117 -17.848 -1.358 -3.830 1.00 53.11 O ATOM 2000 CB LEU B 117 -15.500 0.107 -2.214 1.00 3.23 C ATOM 2001 CG LEU B 117 -14.291 -0.100 -1.243 1.00 32.25 C ATOM 2002 CD1 LEU B 117 -14.339 0.904 -0.064 1.00 55.42 C ATOM 2003 CD2 LEU B 117 -14.230 -1.547 -0.728 1.00 63.01 C ATOM 0 H LEU B 117 -13.803 0.307 -4.049 1.00 1.13 H new ATOM 0 HA LEU B 117 -15.385 -1.809 -3.254 1.00 21.30 H new ATOM 0 HB2 LEU B 117 -15.518 1.156 -2.510 1.00 3.23 H new ATOM 0 HB3 LEU B 117 -16.416 -0.082 -1.655 1.00 3.23 H new ATOM 0 HG LEU B 117 -13.380 0.092 -1.810 1.00 32.25 H new ATOM 0 HD11 LEU B 117 -13.486 0.735 0.593 1.00 55.42 H new ATOM 0 HD12 LEU B 117 -14.302 1.922 -0.451 1.00 55.42 H new ATOM 0 HD13 LEU B 117 -15.263 0.762 0.497 1.00 55.42 H new ATOM 0 HD21 LEU B 117 -13.379 -1.658 -0.056 1.00 63.01 H new ATOM 0 HD22 LEU B 117 -15.149 -1.781 -0.192 1.00 63.01 H new ATOM 0 HD23 LEU B 117 -14.118 -2.229 -1.571 1.00 63.01 H new