USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 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= -2.48! (180deg=-2.6!) USER MOD Set 1.2: B 84 MET CE :methyl -179:sc= -2.78! (180deg=-2.8!) USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.0357 USER MOD Single : A 79 SER OG : rot 70:sc= 0.621 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= -1.13 (180deg=-3.43!) USER MOD Single : A 91 THR OG1 : rot 80:sc= 0.932 USER MOD Single : A 92 TYR OH : rot -50:sc= 0.675 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 139:sc= -0.131 (180deg=-1.09) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0034 X(o=-0.0034,f=-0.29) USER MOD Single : B 75 THR OG1 : rot 30:sc= 0.258 USER MOD Single : B 79 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 THR OG1 : rot 94:sc= 1.25 USER MOD Single : B 92 TYR OH : rot -32:sc= -0.285 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.029) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl 137:sc= -0.248 (180deg=-1.41) USER MOD Single : B 103 LYS NZ :NH3+ -172:sc= -0.0025 (180deg=-0.0964) USER MOD Single : B 108 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.54) USER MOD Single : B 116 CYS SG : rot -21:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.243 -4.464 2.946 1.00 35.21 N ATOM 242 CA THR A 75 -12.057 -3.255 3.795 1.00 13.11 C ATOM 243 C THR A 75 -10.763 -3.383 4.645 1.00 71.31 C ATOM 244 O THR A 75 -10.192 -2.380 5.084 1.00 54.12 O ATOM 245 CB THR A 75 -13.310 -3.005 4.703 1.00 51.44 C ATOM 246 OG1 THR A 75 -14.458 -2.775 3.874 1.00 54.43 O ATOM 247 CG2 THR A 75 -13.157 -1.811 5.667 1.00 43.02 C ATOM 0 HA THR A 75 -11.950 -2.390 3.140 1.00 13.11 H new ATOM 0 HB THR A 75 -13.423 -3.899 5.317 1.00 51.44 H new ATOM 0 HG1 THR A 75 -14.371 -3.290 3.045 1.00 54.43 H new ATOM 0 HG21 THR A 75 -14.065 -1.704 6.260 1.00 43.02 H new ATOM 0 HG22 THR A 75 -12.309 -1.985 6.330 1.00 43.02 H new ATOM 0 HG23 THR A 75 -12.988 -0.900 5.093 1.00 43.02 H new ATOM 255 N ASP A 76 -10.293 -4.642 4.830 1.00 50.23 N ATOM 256 CA ASP A 76 -9.002 -4.946 5.470 1.00 11.33 C ATOM 257 C ASP A 76 -7.865 -4.297 4.670 1.00 51.11 C ATOM 258 O ASP A 76 -7.011 -3.640 5.252 1.00 73.11 O ATOM 259 CB ASP A 76 -8.793 -6.484 5.565 1.00 13.44 C ATOM 260 CG ASP A 76 -7.544 -6.889 6.374 1.00 71.51 C ATOM 261 OD1 ASP A 76 -7.652 -7.011 7.605 1.00 51.41 O ATOM 262 OD2 ASP A 76 -6.462 -7.098 5.786 1.00 22.31 O ATOM 0 H ASP A 76 -10.806 -5.473 4.536 1.00 50.23 H new ATOM 0 HA ASP A 76 -9.001 -4.540 6.481 1.00 11.33 H new ATOM 0 HB2 ASP A 76 -9.674 -6.934 6.023 1.00 13.44 H new ATOM 0 HB3 ASP A 76 -8.712 -6.894 4.558 1.00 13.44 H new ATOM 267 N LEU A 77 -7.918 -4.450 3.326 1.00 72.41 N ATOM 268 CA LEU A 77 -6.954 -3.830 2.391 1.00 72.34 C ATOM 269 C LEU A 77 -6.989 -2.297 2.490 1.00 12.42 C ATOM 270 O LEU A 77 -5.940 -1.661 2.565 1.00 61.31 O ATOM 271 CB LEU A 77 -7.247 -4.296 0.937 1.00 44.53 C ATOM 272 CG LEU A 77 -6.334 -3.702 -0.189 1.00 31.31 C ATOM 273 CD1 LEU A 77 -4.846 -4.001 0.064 1.00 21.33 C ATOM 274 CD2 LEU A 77 -6.771 -4.211 -1.572 1.00 63.45 C ATOM 0 H LEU A 77 -8.633 -5.009 2.860 1.00 72.41 H new ATOM 0 HA LEU A 77 -5.951 -4.154 2.668 1.00 72.34 H new ATOM 0 HB2 LEU A 77 -7.164 -5.382 0.905 1.00 44.53 H new ATOM 0 HB3 LEU A 77 -8.282 -4.048 0.702 1.00 44.53 H new ATOM 0 HG LEU A 77 -6.454 -2.619 -0.169 1.00 31.31 H new ATOM 0 HD11 LEU A 77 -4.247 -3.572 -0.739 1.00 21.33 H new ATOM 0 HD12 LEU A 77 -4.544 -3.563 1.015 1.00 21.33 H new ATOM 0 HD13 LEU A 77 -4.692 -5.080 0.095 1.00 21.33 H new ATOM 0 HD21 LEU A 77 -6.123 -3.785 -2.338 1.00 63.45 H new ATOM 0 HD22 LEU A 77 -6.699 -5.298 -1.599 1.00 63.45 H new ATOM 0 HD23 LEU A 77 -7.802 -3.911 -1.761 1.00 63.45 H new ATOM 286 N LEU A 78 -8.217 -1.731 2.509 1.00 60.33 N ATOM 287 CA LEU A 78 -8.445 -0.276 2.656 1.00 23.31 C ATOM 288 C LEU A 78 -7.766 0.262 3.928 1.00 15.03 C ATOM 289 O LEU A 78 -7.151 1.336 3.917 1.00 33.34 O ATOM 290 CB LEU A 78 -9.973 0.011 2.690 1.00 14.25 C ATOM 291 CG LEU A 78 -10.404 1.514 2.732 1.00 54.14 C ATOM 292 CD1 LEU A 78 -10.058 2.253 1.418 1.00 72.41 C ATOM 293 CD2 LEU A 78 -11.899 1.654 3.081 1.00 64.50 C ATOM 0 H LEU A 78 -9.078 -2.271 2.423 1.00 60.33 H new ATOM 0 HA LEU A 78 -8.003 0.236 1.801 1.00 23.31 H new ATOM 0 HB2 LEU A 78 -10.425 -0.448 1.811 1.00 14.25 H new ATOM 0 HB3 LEU A 78 -10.394 -0.488 3.563 1.00 14.25 H new ATOM 0 HG LEU A 78 -9.830 1.993 3.525 1.00 54.14 H new ATOM 0 HD11 LEU A 78 -10.375 3.293 1.491 1.00 72.41 H new ATOM 0 HD12 LEU A 78 -8.982 2.212 1.250 1.00 72.41 H new ATOM 0 HD13 LEU A 78 -10.573 1.775 0.585 1.00 72.41 H new ATOM 0 HD21 LEU A 78 -12.170 2.709 3.103 1.00 64.50 H new ATOM 0 HD22 LEU A 78 -12.498 1.141 2.328 1.00 64.50 H new ATOM 0 HD23 LEU A 78 -12.087 1.210 4.059 1.00 64.50 H new ATOM 305 N SER A 79 -7.869 -0.528 5.011 1.00 45.42 N ATOM 306 CA SER A 79 -7.222 -0.231 6.282 1.00 70.34 C ATOM 307 C SER A 79 -5.691 -0.345 6.165 1.00 32.52 C ATOM 308 O SER A 79 -4.995 0.564 6.598 1.00 30.13 O ATOM 309 CB SER A 79 -7.756 -1.165 7.383 1.00 43.23 C ATOM 310 OG SER A 79 -9.163 -1.072 7.504 1.00 22.41 O ATOM 0 H SER A 79 -8.409 -1.393 5.020 1.00 45.42 H new ATOM 0 HA SER A 79 -7.458 0.798 6.553 1.00 70.34 H new ATOM 0 HB2 SER A 79 -7.476 -2.194 7.156 1.00 43.23 H new ATOM 0 HB3 SER A 79 -7.290 -0.911 8.335 1.00 43.23 H new ATOM 0 HG SER A 79 -9.586 -1.475 6.717 1.00 22.41 H new ATOM 316 N VAL A 80 -5.194 -1.442 5.519 1.00 23.03 N ATOM 317 CA VAL A 80 -3.739 -1.737 5.393 1.00 33.15 C ATOM 318 C VAL A 80 -2.998 -0.542 4.779 1.00 53.55 C ATOM 319 O VAL A 80 -1.971 -0.117 5.313 1.00 63.14 O ATOM 320 CB VAL A 80 -3.456 -3.051 4.542 1.00 43.20 C ATOM 321 CG1 VAL A 80 -1.953 -3.211 4.181 1.00 22.15 C ATOM 322 CG2 VAL A 80 -3.946 -4.313 5.284 1.00 10.12 C ATOM 0 H VAL A 80 -5.790 -2.141 5.075 1.00 23.03 H new ATOM 0 HA VAL A 80 -3.365 -1.916 6.401 1.00 33.15 H new ATOM 0 HB VAL A 80 -4.016 -2.939 3.613 1.00 43.20 H new ATOM 0 HG11 VAL A 80 -1.813 -4.123 3.600 1.00 22.15 H new ATOM 0 HG12 VAL A 80 -1.627 -2.353 3.593 1.00 22.15 H new ATOM 0 HG13 VAL A 80 -1.363 -3.269 5.096 1.00 22.15 H new ATOM 0 HG21 VAL A 80 -3.739 -5.195 4.678 1.00 10.12 H new ATOM 0 HG22 VAL A 80 -3.427 -4.399 6.238 1.00 10.12 H new ATOM 0 HG23 VAL A 80 -5.019 -4.238 5.460 1.00 10.12 H new ATOM 332 N ILE A 81 -3.561 0.004 3.682 1.00 40.42 N ATOM 333 CA ILE A 81 -2.990 1.159 2.964 1.00 32.35 C ATOM 334 C ILE A 81 -2.805 2.364 3.911 1.00 4.42 C ATOM 335 O ILE A 81 -1.709 2.916 4.026 1.00 53.10 O ATOM 336 CB ILE A 81 -3.883 1.588 1.737 1.00 23.44 C ATOM 337 CG1 ILE A 81 -4.177 0.380 0.782 1.00 71.24 C ATOM 338 CG2 ILE A 81 -3.220 2.749 0.970 1.00 44.41 C ATOM 339 CD1 ILE A 81 -2.962 -0.302 0.177 1.00 61.01 C ATOM 0 H ILE A 81 -4.426 -0.345 3.269 1.00 40.42 H new ATOM 0 HA ILE A 81 -2.017 0.844 2.588 1.00 32.35 H new ATOM 0 HB ILE A 81 -4.842 1.931 2.127 1.00 23.44 H new ATOM 0 HG12 ILE A 81 -4.749 -0.365 1.336 1.00 71.24 H new ATOM 0 HG13 ILE A 81 -4.814 0.731 -0.030 1.00 71.24 H new ATOM 0 HG21 ILE A 81 -3.849 3.033 0.126 1.00 44.41 H new ATOM 0 HG22 ILE A 81 -3.099 3.603 1.636 1.00 44.41 H new ATOM 0 HG23 ILE A 81 -2.243 2.433 0.604 1.00 44.41 H new ATOM 0 HD11 ILE A 81 -3.286 -1.121 -0.465 1.00 61.01 H new ATOM 0 HD12 ILE A 81 -2.396 0.419 -0.413 1.00 61.01 H new ATOM 0 HD13 ILE A 81 -2.330 -0.694 0.974 1.00 61.01 H new ATOM 351 N GLU A 82 -3.886 2.709 4.624 1.00 50.43 N ATOM 352 CA GLU A 82 -3.934 3.873 5.525 1.00 14.23 C ATOM 353 C GLU A 82 -2.948 3.683 6.703 1.00 23.23 C ATOM 354 O GLU A 82 -2.249 4.621 7.097 1.00 65.55 O ATOM 355 CB GLU A 82 -5.410 4.068 6.001 1.00 53.32 C ATOM 356 CG GLU A 82 -5.747 5.422 6.684 1.00 45.43 C ATOM 357 CD GLU A 82 -5.213 5.576 8.123 1.00 71.33 C ATOM 358 OE1 GLU A 82 -5.649 4.815 9.004 1.00 0.15 O ATOM 359 OE2 GLU A 82 -4.362 6.454 8.379 1.00 61.25 O ATOM 0 H GLU A 82 -4.760 2.185 4.593 1.00 50.43 H new ATOM 0 HA GLU A 82 -3.619 4.777 5.004 1.00 14.23 H new ATOM 0 HB2 GLU A 82 -6.065 3.949 5.138 1.00 53.32 H new ATOM 0 HB3 GLU A 82 -5.652 3.265 6.698 1.00 53.32 H new ATOM 0 HG2 GLU A 82 -5.343 6.230 6.074 1.00 45.43 H new ATOM 0 HG3 GLU A 82 -6.830 5.545 6.699 1.00 45.43 H new ATOM 366 N GLU A 83 -2.874 2.442 7.208 1.00 73.34 N ATOM 367 CA GLU A 83 -2.017 2.071 8.347 1.00 21.11 C ATOM 368 C GLU A 83 -0.532 2.126 7.967 1.00 64.22 C ATOM 369 O GLU A 83 0.303 2.459 8.811 1.00 12.23 O ATOM 370 CB GLU A 83 -2.398 0.669 8.871 1.00 72.35 C ATOM 371 CG GLU A 83 -3.812 0.582 9.487 1.00 33.32 C ATOM 372 CD GLU A 83 -4.226 -0.858 9.831 1.00 60.33 C ATOM 373 OE1 GLU A 83 -4.266 -1.698 8.907 1.00 34.52 O ATOM 374 OE2 GLU A 83 -4.507 -1.162 11.010 1.00 72.01 O ATOM 0 H GLU A 83 -3.412 1.660 6.835 1.00 73.34 H new ATOM 0 HA GLU A 83 -2.180 2.796 9.144 1.00 21.11 H new ATOM 0 HB2 GLU A 83 -2.328 -0.044 8.050 1.00 72.35 H new ATOM 0 HB3 GLU A 83 -1.668 0.364 9.621 1.00 72.35 H new ATOM 0 HG2 GLU A 83 -3.848 1.191 10.390 1.00 33.32 H new ATOM 0 HG3 GLU A 83 -4.534 1.005 8.789 1.00 33.32 H new ATOM 381 N MET A 84 -0.216 1.815 6.690 1.00 65.35 N ATOM 382 CA MET A 84 1.148 1.949 6.149 1.00 71.14 C ATOM 383 C MET A 84 1.530 3.429 6.069 1.00 63.13 C ATOM 384 O MET A 84 2.682 3.788 6.305 1.00 71.44 O ATOM 385 CB MET A 84 1.270 1.281 4.750 1.00 13.10 C ATOM 386 CG MET A 84 1.167 -0.243 4.764 1.00 34.30 C ATOM 387 SD MET A 84 1.498 -0.977 3.152 1.00 73.45 S ATOM 388 CE MET A 84 0.279 -0.214 2.095 1.00 61.11 C ATOM 0 H MET A 84 -0.895 1.467 6.013 1.00 65.35 H new ATOM 0 HA MET A 84 1.835 1.436 6.821 1.00 71.14 H new ATOM 0 HB2 MET A 84 0.489 1.679 4.102 1.00 13.10 H new ATOM 0 HB3 MET A 84 2.226 1.564 4.309 1.00 13.10 H new ATOM 0 HG2 MET A 84 1.871 -0.644 5.493 1.00 34.30 H new ATOM 0 HG3 MET A 84 0.169 -0.533 5.093 1.00 34.30 H new ATOM 0 HE1 MET A 84 0.413 -0.566 1.072 1.00 61.11 H new ATOM 0 HE2 MET A 84 -0.720 -0.479 2.442 1.00 61.11 H new ATOM 0 HE3 MET A 84 0.398 0.869 2.125 1.00 61.11 H new ATOM 398 N GLY A 85 0.523 4.272 5.762 1.00 1.31 N ATOM 399 CA GLY A 85 0.680 5.723 5.739 1.00 54.31 C ATOM 400 C GLY A 85 1.166 6.294 7.070 1.00 75.33 C ATOM 401 O GLY A 85 1.830 7.339 7.094 1.00 5.44 O ATOM 0 H GLY A 85 -0.418 3.957 5.525 1.00 1.31 H new ATOM 0 HA2 GLY A 85 1.387 5.994 4.955 1.00 54.31 H new ATOM 0 HA3 GLY A 85 -0.274 6.182 5.480 1.00 54.31 H new ATOM 405 N LYS A 86 0.872 5.570 8.173 1.00 42.04 N ATOM 406 CA LYS A 86 1.296 5.960 9.525 1.00 52.35 C ATOM 407 C LYS A 86 2.782 5.607 9.709 1.00 51.41 C ATOM 408 O LYS A 86 3.550 6.385 10.277 1.00 73.42 O ATOM 409 CB LYS A 86 0.477 5.228 10.628 1.00 24.41 C ATOM 410 CG LYS A 86 -1.060 5.336 10.507 1.00 32.54 C ATOM 411 CD LYS A 86 -1.820 4.750 11.732 1.00 4.23 C ATOM 412 CE LYS A 86 -1.691 3.214 11.909 1.00 73.14 C ATOM 413 NZ LYS A 86 -0.313 2.751 12.242 1.00 32.20 N ATOM 0 H LYS A 86 0.336 4.703 8.145 1.00 42.04 H new ATOM 0 HA LYS A 86 1.128 7.032 9.627 1.00 52.35 H new ATOM 0 HB2 LYS A 86 0.750 4.173 10.617 1.00 24.41 H new ATOM 0 HB3 LYS A 86 0.775 5.624 11.599 1.00 24.41 H new ATOM 0 HG2 LYS A 86 -1.335 6.384 10.386 1.00 32.54 H new ATOM 0 HG3 LYS A 86 -1.383 4.816 9.605 1.00 32.54 H new ATOM 0 HD2 LYS A 86 -1.453 5.237 12.635 1.00 4.23 H new ATOM 0 HD3 LYS A 86 -2.876 5.003 11.640 1.00 4.23 H new ATOM 0 HE2 LYS A 86 -2.371 2.892 12.698 1.00 73.14 H new ATOM 0 HE3 LYS A 86 -2.014 2.725 10.990 1.00 73.14 H new ATOM 0 HZ1 LYS A 86 -0.365 1.970 12.927 1.00 32.20 H new ATOM 0 HZ2 LYS A 86 0.161 2.422 11.377 1.00 32.20 H new ATOM 0 HZ3 LYS A 86 0.227 3.538 12.655 1.00 32.20 H new ATOM 427 N GLU A 87 3.170 4.437 9.156 1.00 1.15 N ATOM 428 CA GLU A 87 4.480 3.806 9.419 1.00 23.43 C ATOM 429 C GLU A 87 5.618 4.553 8.700 1.00 10.50 C ATOM 430 O GLU A 87 6.782 4.381 9.042 1.00 21.42 O ATOM 431 CB GLU A 87 4.463 2.328 8.941 1.00 20.32 C ATOM 432 CG GLU A 87 3.308 1.470 9.484 1.00 20.11 C ATOM 433 CD GLU A 87 3.274 1.395 11.012 1.00 1.31 C ATOM 434 OE1 GLU A 87 4.155 0.720 11.591 1.00 34.20 O ATOM 435 OE2 GLU A 87 2.364 1.985 11.643 1.00 14.42 O ATOM 0 H GLU A 87 2.583 3.904 8.515 1.00 1.15 H new ATOM 0 HA GLU A 87 4.658 3.850 10.493 1.00 23.43 H new ATOM 0 HB2 GLU A 87 4.420 2.317 7.852 1.00 20.32 H new ATOM 0 HB3 GLU A 87 5.405 1.861 9.227 1.00 20.32 H new ATOM 0 HG2 GLU A 87 2.363 1.878 9.126 1.00 20.11 H new ATOM 0 HG3 GLU A 87 3.393 0.461 9.080 1.00 20.11 H new ATOM 442 N ILE A 88 5.249 5.398 7.728 1.00 22.34 N ATOM 443 CA ILE A 88 6.199 6.166 6.905 1.00 73.42 C ATOM 444 C ILE A 88 6.976 7.197 7.758 1.00 22.32 C ATOM 445 O ILE A 88 8.164 7.420 7.514 1.00 32.12 O ATOM 446 CB ILE A 88 5.437 6.873 5.722 1.00 64.50 C ATOM 447 CG1 ILE A 88 4.686 5.804 4.873 1.00 41.41 C ATOM 448 CG2 ILE A 88 6.388 7.721 4.838 1.00 12.13 C ATOM 449 CD1 ILE A 88 3.784 6.360 3.793 1.00 23.15 C ATOM 0 H ILE A 88 4.273 5.571 7.487 1.00 22.34 H new ATOM 0 HA ILE A 88 6.930 5.474 6.487 1.00 73.42 H new ATOM 0 HB ILE A 88 4.713 7.566 6.150 1.00 64.50 H new ATOM 0 HG12 ILE A 88 5.423 5.149 4.408 1.00 41.41 H new ATOM 0 HG13 ILE A 88 4.087 5.186 5.542 1.00 41.41 H new ATOM 0 HG21 ILE A 88 5.818 8.189 4.036 1.00 12.13 H new ATOM 0 HG22 ILE A 88 6.859 8.493 5.447 1.00 12.13 H new ATOM 0 HG23 ILE A 88 7.156 7.078 4.409 1.00 12.13 H new ATOM 0 HD11 ILE A 88 3.307 5.538 3.259 1.00 23.15 H new ATOM 0 HD12 ILE A 88 3.019 6.990 4.247 1.00 23.15 H new ATOM 0 HD13 ILE A 88 4.375 6.952 3.095 1.00 23.15 H new ATOM 461 N ARG A 89 6.304 7.786 8.776 1.00 21.51 N ATOM 462 CA ARG A 89 6.924 8.811 9.647 1.00 52.44 C ATOM 463 C ARG A 89 8.041 8.180 10.537 1.00 32.40 C ATOM 464 O ARG A 89 9.177 8.659 10.477 1.00 42.21 O ATOM 465 CB ARG A 89 5.828 9.597 10.463 1.00 43.00 C ATOM 466 CG ARG A 89 6.287 10.919 11.163 1.00 1.35 C ATOM 467 CD ARG A 89 7.074 10.708 12.481 1.00 24.24 C ATOM 468 NE ARG A 89 7.504 11.975 13.107 1.00 12.03 N ATOM 469 CZ ARG A 89 8.033 12.080 14.345 1.00 63.42 C ATOM 470 NH1 ARG A 89 8.208 11.005 15.110 1.00 44.33 N ATOM 471 NH2 ARG A 89 8.406 13.263 14.802 1.00 10.14 N ATOM 0 H ARG A 89 5.336 7.569 9.013 1.00 21.51 H new ATOM 0 HA ARG A 89 7.420 9.555 9.025 1.00 52.44 H new ATOM 0 HB2 ARG A 89 5.007 9.837 9.787 1.00 43.00 H new ATOM 0 HB3 ARG A 89 5.428 8.929 11.226 1.00 43.00 H new ATOM 0 HG2 ARG A 89 6.909 11.485 10.470 1.00 1.35 H new ATOM 0 HG3 ARG A 89 5.408 11.528 11.373 1.00 1.35 H new ATOM 0 HD2 ARG A 89 6.452 10.155 13.184 1.00 24.24 H new ATOM 0 HD3 ARG A 89 7.951 10.093 12.279 1.00 24.24 H new ATOM 0 HE ARG A 89 7.393 12.832 12.565 1.00 12.03 H new ATOM 0 HH11 ARG A 89 7.941 10.084 14.763 1.00 44.33 H new ATOM 0 HH12 ARG A 89 8.609 11.103 16.043 1.00 44.33 H new ATOM 0 HH21 ARG A 89 8.294 14.093 14.220 1.00 10.14 H new ATOM 0 HH22 ARG A 89 8.806 13.346 15.737 1.00 10.14 H new ATOM 485 N PRO A 90 7.776 7.100 11.378 1.00 21.35 N ATOM 486 CA PRO A 90 8.845 6.441 12.170 1.00 43.04 C ATOM 487 C PRO A 90 9.937 5.787 11.282 1.00 73.30 C ATOM 488 O PRO A 90 11.110 5.826 11.646 1.00 24.53 O ATOM 489 CB PRO A 90 8.083 5.402 13.038 1.00 62.20 C ATOM 490 CG PRO A 90 6.784 5.169 12.327 1.00 63.34 C ATOM 491 CD PRO A 90 6.443 6.488 11.675 1.00 20.35 C ATOM 0 HA PRO A 90 9.405 7.155 12.774 1.00 43.04 H new ATOM 0 HB2 PRO A 90 8.651 4.477 13.133 1.00 62.20 H new ATOM 0 HB3 PRO A 90 7.917 5.779 14.047 1.00 62.20 H new ATOM 0 HG2 PRO A 90 6.879 4.376 11.585 1.00 63.34 H new ATOM 0 HG3 PRO A 90 6.004 4.862 13.024 1.00 63.34 H new ATOM 0 HD2 PRO A 90 5.858 6.345 10.766 1.00 20.35 H new ATOM 0 HD3 PRO A 90 5.852 7.120 12.338 1.00 20.35 H new ATOM 499 N THR A 91 9.548 5.223 10.115 1.00 75.15 N ATOM 500 CA THR A 91 10.513 4.666 9.126 1.00 52.51 C ATOM 501 C THR A 91 11.507 5.753 8.683 1.00 51.13 C ATOM 502 O THR A 91 12.726 5.556 8.727 1.00 61.33 O ATOM 503 CB THR A 91 9.769 4.075 7.887 1.00 43.30 C ATOM 504 OG1 THR A 91 8.978 2.960 8.316 1.00 3.31 O ATOM 505 CG2 THR A 91 10.715 3.615 6.756 1.00 73.01 C ATOM 0 H THR A 91 8.572 5.139 9.831 1.00 75.15 H new ATOM 0 HA THR A 91 11.063 3.857 9.607 1.00 52.51 H new ATOM 0 HB THR A 91 9.154 4.874 7.474 1.00 43.30 H new ATOM 0 HG1 THR A 91 8.146 3.285 8.719 1.00 3.31 H new ATOM 0 HG21 THR A 91 10.127 3.216 5.929 1.00 73.01 H new ATOM 0 HG22 THR A 91 11.304 4.463 6.407 1.00 73.01 H new ATOM 0 HG23 THR A 91 11.383 2.840 7.133 1.00 73.01 H new ATOM 513 N TYR A 92 10.959 6.919 8.311 1.00 45.51 N ATOM 514 CA TYR A 92 11.740 8.094 7.909 1.00 11.04 C ATOM 515 C TYR A 92 12.607 8.595 9.078 1.00 43.23 C ATOM 516 O TYR A 92 13.723 9.079 8.871 1.00 54.20 O ATOM 517 CB TYR A 92 10.794 9.220 7.419 1.00 50.13 C ATOM 518 CG TYR A 92 11.516 10.414 6.785 1.00 5.14 C ATOM 519 CD1 TYR A 92 11.944 10.355 5.462 1.00 40.15 C ATOM 520 CD2 TYR A 92 11.772 11.586 7.500 1.00 11.31 C ATOM 521 CE1 TYR A 92 12.594 11.410 4.875 1.00 2.41 C ATOM 522 CE2 TYR A 92 12.425 12.652 6.911 1.00 53.21 C ATOM 523 CZ TYR A 92 12.834 12.553 5.599 1.00 61.34 C ATOM 524 OH TYR A 92 13.479 13.609 5.000 1.00 4.43 O ATOM 0 H TYR A 92 9.951 7.073 8.281 1.00 45.51 H new ATOM 0 HA TYR A 92 12.401 7.808 7.091 1.00 11.04 H new ATOM 0 HB2 TYR A 92 10.097 8.803 6.692 1.00 50.13 H new ATOM 0 HB3 TYR A 92 10.201 9.574 8.262 1.00 50.13 H new ATOM 0 HD1 TYR A 92 11.760 9.460 4.886 1.00 40.15 H new ATOM 0 HD2 TYR A 92 11.455 11.660 8.530 1.00 11.31 H new ATOM 0 HE1 TYR A 92 12.916 11.343 3.846 1.00 2.41 H new ATOM 0 HE2 TYR A 92 12.613 13.554 7.474 1.00 53.21 H new ATOM 0 HH TYR A 92 14.293 13.288 4.560 1.00 4.43 H new ATOM 534 N ALA A 93 12.088 8.433 10.306 1.00 72.33 N ATOM 535 CA ALA A 93 12.738 8.907 11.537 1.00 54.41 C ATOM 536 C ALA A 93 13.794 7.901 12.049 1.00 31.51 C ATOM 537 O ALA A 93 14.437 8.157 13.067 1.00 43.31 O ATOM 538 CB ALA A 93 11.673 9.184 12.608 1.00 14.14 C ATOM 0 H ALA A 93 11.197 7.965 10.473 1.00 72.33 H new ATOM 0 HA ALA A 93 13.267 9.834 11.313 1.00 54.41 H new ATOM 0 HB1 ALA A 93 12.156 9.535 13.520 1.00 14.14 H new ATOM 0 HB2 ALA A 93 10.983 9.946 12.246 1.00 14.14 H new ATOM 0 HB3 ALA A 93 11.122 8.267 12.819 1.00 14.14 H new ATOM 544 N GLY A 94 13.984 6.780 11.331 1.00 32.15 N ATOM 545 CA GLY A 94 15.055 5.822 11.641 1.00 43.15 C ATOM 546 C GLY A 94 14.631 4.599 12.444 1.00 61.55 C ATOM 547 O GLY A 94 15.485 3.790 12.802 1.00 11.44 O ATOM 0 H GLY A 94 13.408 6.517 10.531 1.00 32.15 H new ATOM 0 HA2 GLY A 94 15.498 5.484 10.704 1.00 43.15 H new ATOM 0 HA3 GLY A 94 15.837 6.344 12.193 1.00 43.15 H new ATOM 551 N SER A 95 13.334 4.470 12.756 1.00 70.31 N ATOM 552 CA SER A 95 12.781 3.262 13.409 1.00 24.02 C ATOM 553 C SER A 95 12.759 2.044 12.449 1.00 43.44 C ATOM 554 O SER A 95 11.894 1.943 11.571 1.00 32.14 O ATOM 555 CB SER A 95 11.364 3.563 13.934 1.00 63.24 C ATOM 556 OG SER A 95 11.354 4.690 14.788 1.00 61.32 O ATOM 0 H SER A 95 12.638 5.191 12.567 1.00 70.31 H new ATOM 0 HA SER A 95 13.431 3.000 14.244 1.00 24.02 H new ATOM 0 HB2 SER A 95 10.693 3.737 13.093 1.00 63.24 H new ATOM 0 HB3 SER A 95 10.982 2.695 14.472 1.00 63.24 H new ATOM 0 HG SER A 95 10.440 4.854 15.102 1.00 61.32 H new ATOM 562 N LYS A 96 13.772 1.168 12.607 1.00 53.20 N ATOM 563 CA LYS A 96 13.908 -0.109 11.862 1.00 45.04 C ATOM 564 C LYS A 96 12.683 -1.042 12.012 1.00 75.01 C ATOM 565 O LYS A 96 12.245 -1.655 11.035 1.00 51.22 O ATOM 566 CB LYS A 96 15.201 -0.838 12.325 1.00 34.35 C ATOM 567 CG LYS A 96 15.294 -1.061 13.859 1.00 61.13 C ATOM 568 CD LYS A 96 16.598 -1.761 14.303 1.00 24.30 C ATOM 569 CE LYS A 96 16.705 -3.202 13.792 1.00 11.42 C ATOM 570 NZ LYS A 96 17.945 -3.872 14.265 1.00 51.23 N ATOM 0 H LYS A 96 14.534 1.327 13.266 1.00 53.20 H new ATOM 0 HA LYS A 96 13.969 0.141 10.803 1.00 45.04 H new ATOM 0 HB2 LYS A 96 15.258 -1.805 11.825 1.00 34.35 H new ATOM 0 HB3 LYS A 96 16.066 -0.260 12.000 1.00 34.35 H new ATOM 0 HG2 LYS A 96 15.219 -0.098 14.363 1.00 61.13 H new ATOM 0 HG3 LYS A 96 14.442 -1.658 14.183 1.00 61.13 H new ATOM 0 HD2 LYS A 96 17.453 -1.189 13.942 1.00 24.30 H new ATOM 0 HD3 LYS A 96 16.651 -1.762 15.392 1.00 24.30 H new ATOM 0 HE2 LYS A 96 15.837 -3.770 14.126 1.00 11.42 H new ATOM 0 HE3 LYS A 96 16.686 -3.202 12.702 1.00 11.42 H new ATOM 0 HZ1 LYS A 96 17.977 -4.844 13.896 1.00 51.23 H new ATOM 0 HZ2 LYS A 96 18.775 -3.346 13.925 1.00 51.23 H new ATOM 0 HZ3 LYS A 96 17.952 -3.896 15.305 1.00 51.23 H new ATOM 584 N SER A 97 12.161 -1.149 13.245 1.00 71.24 N ATOM 585 CA SER A 97 11.007 -2.012 13.558 1.00 61.41 C ATOM 586 C SER A 97 9.750 -1.542 12.792 1.00 44.53 C ATOM 587 O SER A 97 9.010 -2.357 12.235 1.00 73.05 O ATOM 588 CB SER A 97 10.764 -2.019 15.082 1.00 21.05 C ATOM 589 OG SER A 97 11.954 -2.328 15.795 1.00 24.44 O ATOM 0 H SER A 97 12.525 -0.642 14.052 1.00 71.24 H new ATOM 0 HA SER A 97 11.224 -3.031 13.236 1.00 61.41 H new ATOM 0 HB2 SER A 97 10.392 -1.044 15.397 1.00 21.05 H new ATOM 0 HB3 SER A 97 9.992 -2.749 15.326 1.00 21.05 H new ATOM 0 HG SER A 97 11.769 -2.323 16.757 1.00 24.44 H new ATOM 595 N ALA A 98 9.553 -0.212 12.747 1.00 1.32 N ATOM 596 CA ALA A 98 8.466 0.431 11.991 1.00 12.51 C ATOM 597 C ALA A 98 8.631 0.236 10.480 1.00 12.12 C ATOM 598 O ALA A 98 7.641 0.046 9.772 1.00 74.20 O ATOM 599 CB ALA A 98 8.434 1.916 12.324 1.00 30.42 C ATOM 0 H ALA A 98 10.150 0.452 13.240 1.00 1.32 H new ATOM 0 HA ALA A 98 7.525 -0.038 12.280 1.00 12.51 H new ATOM 0 HB1 ALA A 98 7.630 2.397 11.766 1.00 30.42 H new ATOM 0 HB2 ALA A 98 8.262 2.046 13.393 1.00 30.42 H new ATOM 0 HB3 ALA A 98 9.387 2.370 12.052 1.00 30.42 H new ATOM 605 N MET A 99 9.895 0.299 10.007 1.00 61.43 N ATOM 606 CA MET A 99 10.256 0.025 8.604 1.00 40.00 C ATOM 607 C MET A 99 9.856 -1.402 8.209 1.00 52.35 C ATOM 608 O MET A 99 9.379 -1.634 7.098 1.00 74.31 O ATOM 609 CB MET A 99 11.786 0.236 8.387 1.00 40.24 C ATOM 610 CG MET A 99 12.289 -0.109 6.975 1.00 0.23 C ATOM 611 SD MET A 99 14.069 0.134 6.750 1.00 21.11 S ATOM 612 CE MET A 99 14.788 -0.945 7.993 1.00 25.22 C ATOM 0 H MET A 99 10.694 0.542 10.592 1.00 61.43 H new ATOM 0 HA MET A 99 9.711 0.723 7.968 1.00 40.00 H new ATOM 0 HB2 MET A 99 12.029 1.277 8.600 1.00 40.24 H new ATOM 0 HB3 MET A 99 12.329 -0.373 9.110 1.00 40.24 H new ATOM 0 HG2 MET A 99 12.044 -1.148 6.757 1.00 0.23 H new ATOM 0 HG3 MET A 99 11.754 0.504 6.250 1.00 0.23 H new ATOM 0 HE1 MET A 99 15.657 -1.453 7.575 1.00 25.22 H new ATOM 0 HE2 MET A 99 15.094 -0.353 8.855 1.00 25.22 H new ATOM 0 HE3 MET A 99 14.050 -1.684 8.304 1.00 25.22 H new ATOM 622 N GLU A 100 10.040 -2.336 9.152 1.00 64.44 N ATOM 623 CA GLU A 100 9.744 -3.758 8.951 1.00 51.13 C ATOM 624 C GLU A 100 8.220 -4.002 8.872 1.00 31.33 C ATOM 625 O GLU A 100 7.756 -4.849 8.095 1.00 32.45 O ATOM 626 CB GLU A 100 10.373 -4.582 10.102 1.00 73.13 C ATOM 627 CG GLU A 100 10.333 -6.113 9.902 1.00 33.23 C ATOM 628 CD GLU A 100 11.180 -6.576 8.706 1.00 63.00 C ATOM 629 OE1 GLU A 100 12.391 -6.774 8.873 1.00 40.44 O ATOM 630 OE2 GLU A 100 10.653 -6.724 7.585 1.00 55.23 O ATOM 0 H GLU A 100 10.401 -2.123 10.082 1.00 64.44 H new ATOM 0 HA GLU A 100 10.176 -4.078 8.003 1.00 51.13 H new ATOM 0 HB2 GLU A 100 11.411 -4.273 10.225 1.00 73.13 H new ATOM 0 HB3 GLU A 100 9.855 -4.338 11.030 1.00 73.13 H new ATOM 0 HG2 GLU A 100 10.691 -6.603 10.807 1.00 33.23 H new ATOM 0 HG3 GLU A 100 9.300 -6.430 9.755 1.00 33.23 H new ATOM 637 N ARG A 101 7.447 -3.233 9.682 1.00 63.20 N ATOM 638 CA ARG A 101 5.969 -3.318 9.692 1.00 55.10 C ATOM 639 C ARG A 101 5.398 -2.671 8.418 1.00 61.42 C ATOM 640 O ARG A 101 4.401 -3.142 7.863 1.00 72.32 O ATOM 641 CB ARG A 101 5.354 -2.646 10.956 1.00 34.13 C ATOM 642 CG ARG A 101 5.892 -3.182 12.305 1.00 53.24 C ATOM 643 CD ARG A 101 4.955 -2.907 13.505 1.00 51.40 C ATOM 644 NE ARG A 101 4.425 -1.528 13.524 1.00 1.54 N ATOM 645 CZ ARG A 101 3.549 -1.043 14.427 1.00 33.20 C ATOM 646 NH1 ARG A 101 3.093 -1.798 15.421 1.00 71.22 N ATOM 647 NH2 ARG A 101 3.083 0.193 14.289 1.00 40.34 N ATOM 0 H ARG A 101 7.826 -2.548 10.336 1.00 63.20 H new ATOM 0 HA ARG A 101 5.699 -4.374 9.719 1.00 55.10 H new ATOM 0 HB2 ARG A 101 5.541 -1.573 10.907 1.00 34.13 H new ATOM 0 HB3 ARG A 101 4.273 -2.782 10.933 1.00 34.13 H new ATOM 0 HG2 ARG A 101 6.052 -4.257 12.220 1.00 53.24 H new ATOM 0 HG3 ARG A 101 6.864 -2.729 12.504 1.00 53.24 H new ATOM 0 HD2 ARG A 101 4.122 -3.609 13.476 1.00 51.40 H new ATOM 0 HD3 ARG A 101 5.497 -3.094 14.432 1.00 51.40 H new ATOM 0 HE ARG A 101 4.748 -0.892 12.795 1.00 1.54 H new ATOM 0 HH11 ARG A 101 3.405 -2.765 15.512 1.00 71.22 H new ATOM 0 HH12 ARG A 101 2.431 -1.411 16.093 1.00 71.22 H new ATOM 0 HH21 ARG A 101 3.388 0.768 13.504 1.00 40.34 H new ATOM 0 HH22 ARG A 101 2.420 0.567 14.968 1.00 40.34 H new ATOM 661 N LEU A 102 6.068 -1.595 7.966 1.00 71.40 N ATOM 662 CA LEU A 102 5.731 -0.881 6.725 1.00 30.13 C ATOM 663 C LEU A 102 5.939 -1.810 5.515 1.00 11.31 C ATOM 664 O LEU A 102 5.091 -1.866 4.623 1.00 51.45 O ATOM 665 CB LEU A 102 6.592 0.412 6.623 1.00 43.31 C ATOM 666 CG LEU A 102 6.370 1.329 5.376 1.00 15.44 C ATOM 667 CD1 LEU A 102 4.894 1.672 5.157 1.00 12.54 C ATOM 668 CD2 LEU A 102 7.217 2.611 5.481 1.00 13.51 C ATOM 0 H LEU A 102 6.866 -1.194 8.459 1.00 71.40 H new ATOM 0 HA LEU A 102 4.682 -0.586 6.734 1.00 30.13 H new ATOM 0 HB2 LEU A 102 6.410 1.009 7.517 1.00 43.31 H new ATOM 0 HB3 LEU A 102 7.642 0.120 6.643 1.00 43.31 H new ATOM 0 HG LEU A 102 6.698 0.762 4.505 1.00 15.44 H new ATOM 0 HD11 LEU A 102 4.795 2.310 4.279 1.00 12.54 H new ATOM 0 HD12 LEU A 102 4.326 0.754 5.004 1.00 12.54 H new ATOM 0 HD13 LEU A 102 4.509 2.196 6.032 1.00 12.54 H new ATOM 0 HD21 LEU A 102 7.046 3.233 4.602 1.00 13.51 H new ATOM 0 HD22 LEU A 102 6.933 3.163 6.377 1.00 13.51 H new ATOM 0 HD23 LEU A 102 8.273 2.346 5.538 1.00 13.51 H new ATOM 680 N LYS A 103 7.072 -2.552 5.518 1.00 64.32 N ATOM 681 CA LYS A 103 7.353 -3.609 4.528 1.00 71.53 C ATOM 682 C LYS A 103 6.244 -4.680 4.533 1.00 24.32 C ATOM 683 O LYS A 103 5.710 -5.012 3.480 1.00 51.21 O ATOM 684 CB LYS A 103 8.739 -4.276 4.799 1.00 3.50 C ATOM 685 CG LYS A 103 9.979 -3.419 4.450 1.00 22.40 C ATOM 686 CD LYS A 103 10.087 -3.075 2.947 1.00 51.42 C ATOM 687 CE LYS A 103 10.092 -4.310 2.030 1.00 43.41 C ATOM 688 NZ LYS A 103 11.222 -5.229 2.321 1.00 15.02 N ATOM 0 H LYS A 103 7.814 -2.432 6.208 1.00 64.32 H new ATOM 0 HA LYS A 103 7.379 -3.139 3.545 1.00 71.53 H new ATOM 0 HB2 LYS A 103 8.792 -4.544 5.854 1.00 3.50 H new ATOM 0 HB3 LYS A 103 8.791 -5.205 4.231 1.00 3.50 H new ATOM 0 HG2 LYS A 103 9.945 -2.494 5.025 1.00 22.40 H new ATOM 0 HG3 LYS A 103 10.878 -3.953 4.758 1.00 22.40 H new ATOM 0 HD2 LYS A 103 9.253 -2.431 2.670 1.00 51.42 H new ATOM 0 HD3 LYS A 103 11.000 -2.504 2.778 1.00 51.42 H new ATOM 0 HE2 LYS A 103 9.151 -4.848 2.145 1.00 43.41 H new ATOM 0 HE3 LYS A 103 10.149 -3.987 0.991 1.00 43.41 H new ATOM 0 HZ1 LYS A 103 11.181 -6.045 1.677 1.00 15.02 H new ATOM 0 HZ2 LYS A 103 12.122 -4.726 2.186 1.00 15.02 H new ATOM 0 HZ3 LYS A 103 11.155 -5.561 3.304 1.00 15.02 H new ATOM 702 N ARG A 104 5.905 -5.197 5.741 1.00 12.25 N ATOM 703 CA ARG A 104 4.872 -6.249 5.911 1.00 53.50 C ATOM 704 C ARG A 104 3.515 -5.794 5.350 1.00 14.52 C ATOM 705 O ARG A 104 2.742 -6.616 4.856 1.00 24.11 O ATOM 706 CB ARG A 104 4.716 -6.649 7.405 1.00 50.24 C ATOM 707 CG ARG A 104 3.687 -7.783 7.642 1.00 52.50 C ATOM 708 CD ARG A 104 3.535 -8.185 9.117 1.00 24.23 C ATOM 709 NE ARG A 104 2.569 -9.292 9.277 1.00 4.34 N ATOM 710 CZ ARG A 104 2.221 -9.866 10.443 1.00 50.53 C ATOM 711 NH1 ARG A 104 2.756 -9.464 11.594 1.00 2.31 N ATOM 712 NH2 ARG A 104 1.331 -10.849 10.453 1.00 64.42 N ATOM 0 H ARG A 104 6.336 -4.900 6.617 1.00 12.25 H new ATOM 0 HA ARG A 104 5.207 -7.121 5.349 1.00 53.50 H new ATOM 0 HB2 ARG A 104 5.686 -6.964 7.791 1.00 50.24 H new ATOM 0 HB3 ARG A 104 4.415 -5.772 7.977 1.00 50.24 H new ATOM 0 HG2 ARG A 104 2.717 -7.466 7.260 1.00 52.50 H new ATOM 0 HG3 ARG A 104 3.986 -8.658 7.066 1.00 52.50 H new ATOM 0 HD2 ARG A 104 4.504 -8.485 9.516 1.00 24.23 H new ATOM 0 HD3 ARG A 104 3.204 -7.324 9.698 1.00 24.23 H new ATOM 0 HE ARG A 104 2.128 -9.652 8.431 1.00 4.34 H new ATOM 0 HH11 ARG A 104 3.442 -8.709 11.601 1.00 2.31 H new ATOM 0 HH12 ARG A 104 2.480 -9.911 12.468 1.00 2.31 H new ATOM 0 HH21 ARG A 104 0.913 -11.167 9.579 1.00 64.42 H new ATOM 0 HH22 ARG A 104 1.065 -11.287 11.335 1.00 64.42 H new ATOM 726 N GLY A 105 3.248 -4.478 5.450 1.00 50.13 N ATOM 727 CA GLY A 105 2.058 -3.875 4.872 1.00 22.02 C ATOM 728 C GLY A 105 1.974 -4.073 3.368 1.00 43.10 C ATOM 729 O GLY A 105 0.897 -4.335 2.837 1.00 42.24 O ATOM 0 H GLY A 105 3.855 -3.816 5.933 1.00 50.13 H new ATOM 0 HA2 GLY A 105 1.173 -4.305 5.341 1.00 22.02 H new ATOM 0 HA3 GLY A 105 2.051 -2.808 5.095 1.00 22.02 H new ATOM 733 N ILE A 106 3.125 -3.940 2.686 1.00 73.02 N ATOM 734 CA ILE A 106 3.238 -4.163 1.240 1.00 24.45 C ATOM 735 C ILE A 106 3.023 -5.652 0.887 1.00 14.54 C ATOM 736 O ILE A 106 2.407 -5.959 -0.124 1.00 61.25 O ATOM 737 CB ILE A 106 4.618 -3.600 0.674 1.00 21.12 C ATOM 738 CG1 ILE A 106 4.530 -2.059 0.407 1.00 14.44 C ATOM 739 CG2 ILE A 106 5.115 -4.334 -0.604 1.00 61.23 C ATOM 740 CD1 ILE A 106 4.332 -1.175 1.616 1.00 65.45 C ATOM 0 H ILE A 106 4.005 -3.673 3.127 1.00 73.02 H new ATOM 0 HA ILE A 106 2.443 -3.602 0.748 1.00 24.45 H new ATOM 0 HB ILE A 106 5.355 -3.794 1.453 1.00 21.12 H new ATOM 0 HG12 ILE A 106 5.445 -1.747 -0.097 1.00 14.44 H new ATOM 0 HG13 ILE A 106 3.707 -1.879 -0.285 1.00 14.44 H new ATOM 0 HG21 ILE A 106 6.058 -3.897 -0.931 1.00 61.23 H new ATOM 0 HG22 ILE A 106 5.262 -5.391 -0.382 1.00 61.23 H new ATOM 0 HG23 ILE A 106 4.373 -4.229 -1.396 1.00 61.23 H new ATOM 0 HD11 ILE A 106 4.287 -0.132 1.301 1.00 65.45 H new ATOM 0 HD12 ILE A 106 3.401 -1.444 2.115 1.00 65.45 H new ATOM 0 HD13 ILE A 106 5.165 -1.310 2.306 1.00 65.45 H new ATOM 752 N ILE A 107 3.513 -6.568 1.736 1.00 52.53 N ATOM 753 CA ILE A 107 3.335 -8.031 1.541 1.00 3.22 C ATOM 754 C ILE A 107 1.850 -8.419 1.752 1.00 62.33 C ATOM 755 O ILE A 107 1.296 -9.249 1.013 1.00 1.24 O ATOM 756 CB ILE A 107 4.290 -8.866 2.501 1.00 51.25 C ATOM 757 CG1 ILE A 107 5.767 -8.880 1.973 1.00 20.11 C ATOM 758 CG2 ILE A 107 3.796 -10.321 2.710 1.00 13.14 C ATOM 759 CD1 ILE A 107 6.472 -7.543 1.915 1.00 31.44 C ATOM 0 H ILE A 107 4.042 -6.327 2.574 1.00 52.53 H new ATOM 0 HA ILE A 107 3.615 -8.277 0.517 1.00 3.22 H new ATOM 0 HB ILE A 107 4.263 -8.360 3.466 1.00 51.25 H new ATOM 0 HG12 ILE A 107 6.351 -9.547 2.608 1.00 20.11 H new ATOM 0 HG13 ILE A 107 5.768 -9.311 0.972 1.00 20.11 H new ATOM 0 HG21 ILE A 107 4.483 -10.847 3.373 1.00 13.14 H new ATOM 0 HG22 ILE A 107 2.801 -10.307 3.156 1.00 13.14 H new ATOM 0 HG23 ILE A 107 3.756 -10.833 1.749 1.00 13.14 H new ATOM 0 HD11 ILE A 107 7.484 -7.682 1.535 1.00 31.44 H new ATOM 0 HD12 ILE A 107 5.925 -6.871 1.254 1.00 31.44 H new ATOM 0 HD13 ILE A 107 6.516 -7.111 2.915 1.00 31.44 H new ATOM 771 N HIS A 108 1.223 -7.766 2.745 1.00 33.02 N ATOM 772 CA HIS A 108 -0.184 -7.990 3.124 1.00 63.34 C ATOM 773 C HIS A 108 -1.096 -7.481 1.995 1.00 54.42 C ATOM 774 O HIS A 108 -2.023 -8.174 1.578 1.00 63.04 O ATOM 775 CB HIS A 108 -0.490 -7.259 4.475 1.00 23.05 C ATOM 776 CG HIS A 108 -1.796 -7.612 5.152 1.00 61.12 C ATOM 777 ND1 HIS A 108 -2.126 -7.143 6.403 1.00 1.45 N ATOM 778 CD2 HIS A 108 -2.844 -8.376 4.766 1.00 63.42 C ATOM 779 CE1 HIS A 108 -3.309 -7.598 6.749 1.00 51.40 C ATOM 780 NE2 HIS A 108 -3.770 -8.348 5.772 1.00 74.23 N ATOM 0 H HIS A 108 1.685 -7.058 3.315 1.00 33.02 H new ATOM 0 HA HIS A 108 -0.370 -9.054 3.268 1.00 63.34 H new ATOM 0 HB2 HIS A 108 0.323 -7.471 5.170 1.00 23.05 H new ATOM 0 HB3 HIS A 108 -0.480 -6.185 4.292 1.00 23.05 H new ATOM 0 HD2 HIS A 108 -2.933 -8.911 3.832 1.00 63.42 H new ATOM 0 HE1 HIS A 108 -3.817 -7.391 7.679 1.00 51.40 H new ATOM 0 HE2 HIS A 108 -4.669 -8.829 5.766 1.00 74.23 H new ATOM 789 N ALA A 109 -0.779 -6.281 1.486 1.00 41.44 N ATOM 790 CA ALA A 109 -1.544 -5.625 0.423 1.00 34.04 C ATOM 791 C ALA A 109 -1.340 -6.340 -0.924 1.00 33.22 C ATOM 792 O ALA A 109 -2.272 -6.441 -1.712 1.00 72.13 O ATOM 793 CB ALA A 109 -1.157 -4.145 0.348 1.00 44.35 C ATOM 0 H ALA A 109 0.022 -5.737 1.805 1.00 41.44 H new ATOM 0 HA ALA A 109 -2.607 -5.688 0.656 1.00 34.04 H new ATOM 0 HB1 ALA A 109 -1.728 -3.659 -0.444 1.00 44.35 H new ATOM 0 HB2 ALA A 109 -1.376 -3.663 1.301 1.00 44.35 H new ATOM 0 HB3 ALA A 109 -0.092 -4.058 0.133 1.00 44.35 H new ATOM 799 N ARG A 110 -0.116 -6.864 -1.149 1.00 12.52 N ATOM 800 CA ARG A 110 0.218 -7.708 -2.318 1.00 41.11 C ATOM 801 C ARG A 110 -0.678 -8.958 -2.337 1.00 51.14 C ATOM 802 O ARG A 110 -1.256 -9.306 -3.373 1.00 60.31 O ATOM 803 CB ARG A 110 1.732 -8.098 -2.272 1.00 1.04 C ATOM 804 CG ARG A 110 2.186 -9.251 -3.205 1.00 35.31 C ATOM 805 CD ARG A 110 2.055 -8.940 -4.710 1.00 22.03 C ATOM 806 NE ARG A 110 2.996 -7.897 -5.165 1.00 70.23 N ATOM 807 CZ ARG A 110 3.260 -7.607 -6.454 1.00 55.31 C ATOM 808 NH1 ARG A 110 2.660 -8.261 -7.450 1.00 44.54 N ATOM 809 NH2 ARG A 110 4.168 -6.677 -6.737 1.00 64.31 N ATOM 0 H ARG A 110 0.673 -6.713 -0.521 1.00 12.52 H new ATOM 0 HA ARG A 110 0.036 -7.149 -3.236 1.00 41.11 H new ATOM 0 HB2 ARG A 110 2.318 -7.212 -2.516 1.00 1.04 H new ATOM 0 HB3 ARG A 110 1.981 -8.372 -1.247 1.00 1.04 H new ATOM 0 HG2 ARG A 110 3.226 -9.492 -2.985 1.00 35.31 H new ATOM 0 HG3 ARG A 110 1.598 -10.140 -2.977 1.00 35.31 H new ATOM 0 HD2 ARG A 110 2.228 -9.852 -5.281 1.00 22.03 H new ATOM 0 HD3 ARG A 110 1.035 -8.620 -4.922 1.00 22.03 H new ATOM 0 HE ARG A 110 3.482 -7.356 -4.450 1.00 70.23 H new ATOM 0 HH11 ARG A 110 1.986 -8.998 -7.243 1.00 44.54 H new ATOM 0 HH12 ARG A 110 2.876 -8.024 -8.418 1.00 44.54 H new ATOM 0 HH21 ARG A 110 4.655 -6.193 -5.982 1.00 64.31 H new ATOM 0 HH22 ARG A 110 4.377 -6.448 -7.709 1.00 64.31 H new ATOM 823 N ALA A 111 -0.804 -9.591 -1.160 1.00 24.25 N ATOM 824 CA ALA A 111 -1.562 -10.832 -0.983 1.00 22.20 C ATOM 825 C ALA A 111 -3.068 -10.606 -1.199 1.00 61.21 C ATOM 826 O ALA A 111 -3.729 -11.418 -1.850 1.00 63.52 O ATOM 827 CB ALA A 111 -1.287 -11.416 0.411 1.00 15.04 C ATOM 0 H ALA A 111 -0.377 -9.250 -0.299 1.00 24.25 H new ATOM 0 HA ALA A 111 -1.232 -11.548 -1.736 1.00 22.20 H new ATOM 0 HB1 ALA A 111 -1.853 -12.339 0.537 1.00 15.04 H new ATOM 0 HB2 ALA A 111 -0.222 -11.627 0.514 1.00 15.04 H new ATOM 0 HB3 ALA A 111 -1.590 -10.698 1.173 1.00 15.04 H new ATOM 833 N LEU A 112 -3.583 -9.477 -0.674 1.00 54.12 N ATOM 834 CA LEU A 112 -5.023 -9.148 -0.731 1.00 4.11 C ATOM 835 C LEU A 112 -5.464 -8.811 -2.167 1.00 1.50 C ATOM 836 O LEU A 112 -6.449 -9.375 -2.651 1.00 21.11 O ATOM 837 CB LEU A 112 -5.362 -7.988 0.243 1.00 11.41 C ATOM 838 CG LEU A 112 -5.197 -8.320 1.758 1.00 21.13 C ATOM 839 CD1 LEU A 112 -5.395 -7.074 2.628 1.00 11.04 C ATOM 840 CD2 LEU A 112 -6.145 -9.458 2.200 1.00 12.23 C ATOM 0 H LEU A 112 -3.018 -8.771 -0.201 1.00 54.12 H new ATOM 0 HA LEU A 112 -5.580 -10.030 -0.415 1.00 4.11 H new ATOM 0 HB2 LEU A 112 -4.725 -7.136 0.003 1.00 11.41 H new ATOM 0 HB3 LEU A 112 -6.391 -7.676 0.066 1.00 11.41 H new ATOM 0 HG LEU A 112 -4.174 -8.669 1.900 1.00 21.13 H new ATOM 0 HD11 LEU A 112 -5.273 -7.340 3.678 1.00 11.04 H new ATOM 0 HD12 LEU A 112 -4.656 -6.320 2.357 1.00 11.04 H new ATOM 0 HD13 LEU A 112 -6.397 -6.674 2.469 1.00 11.04 H new ATOM 0 HD21 LEU A 112 -6.000 -9.660 3.261 1.00 12.23 H new ATOM 0 HD22 LEU A 112 -7.179 -9.159 2.025 1.00 12.23 H new ATOM 0 HD23 LEU A 112 -5.925 -10.358 1.626 1.00 12.23 H new ATOM 852 N VAL A 113 -4.707 -7.913 -2.851 1.00 2.43 N ATOM 853 CA VAL A 113 -4.992 -7.520 -4.253 1.00 45.14 C ATOM 854 C VAL A 113 -4.922 -8.756 -5.181 1.00 52.54 C ATOM 855 O VAL A 113 -5.727 -8.886 -6.104 1.00 70.52 O ATOM 856 CB VAL A 113 -4.020 -6.383 -4.778 1.00 33.03 C ATOM 857 CG1 VAL A 113 -4.339 -5.994 -6.244 1.00 11.13 C ATOM 858 CG2 VAL A 113 -4.081 -5.129 -3.875 1.00 23.25 C ATOM 0 H VAL A 113 -3.893 -7.447 -2.451 1.00 2.43 H new ATOM 0 HA VAL A 113 -6.001 -7.109 -4.270 1.00 45.14 H new ATOM 0 HB VAL A 113 -3.009 -6.789 -4.742 1.00 33.03 H new ATOM 0 HG11 VAL A 113 -3.653 -5.212 -6.570 1.00 11.13 H new ATOM 0 HG12 VAL A 113 -4.225 -6.868 -6.885 1.00 11.13 H new ATOM 0 HG13 VAL A 113 -5.364 -5.628 -6.309 1.00 11.13 H new ATOM 0 HG21 VAL A 113 -3.403 -4.368 -4.262 1.00 23.25 H new ATOM 0 HG22 VAL A 113 -5.098 -4.737 -3.865 1.00 23.25 H new ATOM 0 HG23 VAL A 113 -3.785 -5.396 -2.861 1.00 23.25 H new ATOM 868 N ARG A 114 -3.978 -9.673 -4.876 1.00 41.14 N ATOM 869 CA ARG A 114 -3.797 -10.938 -5.617 1.00 34.25 C ATOM 870 C ARG A 114 -5.093 -11.780 -5.560 1.00 42.12 C ATOM 871 O ARG A 114 -5.605 -12.212 -6.597 1.00 54.02 O ATOM 872 CB ARG A 114 -2.557 -11.710 -5.043 1.00 53.40 C ATOM 873 CG ARG A 114 -2.084 -12.977 -5.818 1.00 64.14 C ATOM 874 CD ARG A 114 -2.906 -14.259 -5.543 1.00 61.11 C ATOM 875 NE ARG A 114 -2.479 -15.388 -6.378 1.00 20.42 N ATOM 876 CZ ARG A 114 -2.963 -16.640 -6.301 1.00 74.53 C ATOM 877 NH1 ARG A 114 -3.903 -16.966 -5.419 1.00 43.34 N ATOM 878 NH2 ARG A 114 -2.505 -17.560 -7.130 1.00 54.54 N ATOM 0 H ARG A 114 -3.319 -9.555 -4.107 1.00 41.14 H new ATOM 0 HA ARG A 114 -3.599 -10.729 -6.668 1.00 34.25 H new ATOM 0 HB2 ARG A 114 -1.720 -11.014 -4.992 1.00 53.40 H new ATOM 0 HB3 ARG A 114 -2.788 -12.007 -4.020 1.00 53.40 H new ATOM 0 HG2 ARG A 114 -2.118 -12.764 -6.886 1.00 64.14 H new ATOM 0 HG3 ARG A 114 -1.042 -13.171 -5.565 1.00 64.14 H new ATOM 0 HD2 ARG A 114 -2.809 -14.531 -4.492 1.00 61.11 H new ATOM 0 HD3 ARG A 114 -3.962 -14.056 -5.724 1.00 61.11 H new ATOM 0 HE ARG A 114 -1.755 -15.208 -7.074 1.00 20.42 H new ATOM 0 HH11 ARG A 114 -4.272 -16.260 -4.782 1.00 43.34 H new ATOM 0 HH12 ARG A 114 -4.255 -17.922 -5.379 1.00 43.34 H new ATOM 0 HH21 ARG A 114 -1.792 -17.317 -7.818 1.00 54.54 H new ATOM 0 HH22 ARG A 114 -2.864 -18.514 -7.082 1.00 54.54 H new ATOM 1319 N THR B 75 -5.382 -3.872 -11.715 1.00 31.21 N ATOM 1320 CA THR B 75 -4.064 -4.558 -11.788 1.00 60.44 C ATOM 1321 C THR B 75 -2.914 -3.561 -11.517 1.00 64.42 C ATOM 1322 O THR B 75 -1.819 -3.939 -11.061 1.00 73.51 O ATOM 1323 CB THR B 75 -3.856 -5.230 -13.188 1.00 51.13 C ATOM 1324 OG1 THR B 75 -5.060 -5.895 -13.581 1.00 53.42 O ATOM 1325 CG2 THR B 75 -2.702 -6.254 -13.184 1.00 33.11 C ATOM 0 HA THR B 75 -4.053 -5.333 -11.022 1.00 60.44 H new ATOM 0 HB THR B 75 -3.600 -4.438 -13.891 1.00 51.13 H new ATOM 0 HG1 THR B 75 -5.832 -5.425 -13.202 1.00 53.42 H new ATOM 0 HG21 THR B 75 -2.600 -6.691 -14.177 1.00 33.11 H new ATOM 0 HG22 THR B 75 -1.773 -5.754 -12.910 1.00 33.11 H new ATOM 0 HG23 THR B 75 -2.917 -7.042 -12.462 1.00 33.11 H new ATOM 1333 N ASP B 76 -3.201 -2.284 -11.824 1.00 40.13 N ATOM 1334 CA ASP B 76 -2.341 -1.146 -11.508 1.00 22.24 C ATOM 1335 C ASP B 76 -1.988 -1.143 -10.010 1.00 14.51 C ATOM 1336 O ASP B 76 -0.805 -1.089 -9.658 1.00 65.54 O ATOM 1337 CB ASP B 76 -3.057 0.167 -11.906 1.00 24.22 C ATOM 1338 CG ASP B 76 -2.205 1.425 -11.670 1.00 52.32 C ATOM 1339 OD1 ASP B 76 -1.326 1.715 -12.502 1.00 53.23 O ATOM 1340 OD2 ASP B 76 -2.404 2.124 -10.664 1.00 11.52 O ATOM 0 H ASP B 76 -4.057 -2.016 -12.309 1.00 40.13 H new ATOM 0 HA ASP B 76 -1.412 -1.227 -12.073 1.00 22.24 H new ATOM 0 HB2 ASP B 76 -3.332 0.117 -12.959 1.00 24.22 H new ATOM 0 HB3 ASP B 76 -3.983 0.253 -11.338 1.00 24.22 H new ATOM 1345 N LEU B 77 -3.031 -1.281 -9.155 1.00 23.13 N ATOM 1346 CA LEU B 77 -2.896 -1.263 -7.683 1.00 64.42 C ATOM 1347 C LEU B 77 -1.888 -2.313 -7.182 1.00 32.34 C ATOM 1348 O LEU B 77 -1.066 -2.004 -6.329 1.00 45.33 O ATOM 1349 CB LEU B 77 -4.277 -1.477 -7.009 1.00 42.11 C ATOM 1350 CG LEU B 77 -4.276 -1.521 -5.443 1.00 40.00 C ATOM 1351 CD1 LEU B 77 -3.726 -0.223 -4.829 1.00 33.04 C ATOM 1352 CD2 LEU B 77 -5.672 -1.842 -4.897 1.00 2.31 C ATOM 0 H LEU B 77 -3.992 -1.408 -9.472 1.00 23.13 H new ATOM 0 HA LEU B 77 -2.511 -0.282 -7.405 1.00 64.42 H new ATOM 0 HB2 LEU B 77 -4.944 -0.677 -7.330 1.00 42.11 H new ATOM 0 HB3 LEU B 77 -4.699 -2.411 -7.379 1.00 42.11 H new ATOM 0 HG LEU B 77 -3.604 -2.326 -5.147 1.00 40.00 H new ATOM 0 HD11 LEU B 77 -3.744 -0.299 -3.742 1.00 33.04 H new ATOM 0 HD12 LEU B 77 -2.701 -0.068 -5.165 1.00 33.04 H new ATOM 0 HD13 LEU B 77 -4.343 0.619 -5.145 1.00 33.04 H new ATOM 0 HD21 LEU B 77 -5.640 -1.866 -3.808 1.00 2.31 H new ATOM 0 HD22 LEU B 77 -6.375 -1.076 -5.223 1.00 2.31 H new ATOM 0 HD23 LEU B 77 -5.995 -2.813 -5.272 1.00 2.31 H new ATOM 1364 N LEU B 78 -1.960 -3.535 -7.750 1.00 14.34 N ATOM 1365 CA LEU B 78 -1.064 -4.666 -7.407 1.00 21.23 C ATOM 1366 C LEU B 78 0.425 -4.255 -7.478 1.00 54.45 C ATOM 1367 O LEU B 78 1.230 -4.601 -6.601 1.00 61.24 O ATOM 1368 CB LEU B 78 -1.337 -5.834 -8.394 1.00 25.12 C ATOM 1369 CG LEU B 78 -0.536 -7.153 -8.160 1.00 34.01 C ATOM 1370 CD1 LEU B 78 -0.991 -7.879 -6.874 1.00 10.21 C ATOM 1371 CD2 LEU B 78 -0.617 -8.072 -9.394 1.00 24.33 C ATOM 0 H LEU B 78 -2.647 -3.769 -8.467 1.00 14.34 H new ATOM 0 HA LEU B 78 -1.269 -4.976 -6.383 1.00 21.23 H new ATOM 0 HB2 LEU B 78 -2.400 -6.071 -8.355 1.00 25.12 H new ATOM 0 HB3 LEU B 78 -1.125 -5.482 -9.404 1.00 25.12 H new ATOM 0 HG LEU B 78 0.510 -6.884 -8.016 1.00 34.01 H new ATOM 0 HD11 LEU B 78 -0.410 -8.792 -6.747 1.00 10.21 H new ATOM 0 HD12 LEU B 78 -0.836 -7.227 -6.014 1.00 10.21 H new ATOM 0 HD13 LEU B 78 -2.049 -8.130 -6.953 1.00 10.21 H new ATOM 0 HD21 LEU B 78 -0.051 -8.984 -9.206 1.00 24.33 H new ATOM 0 HD22 LEU B 78 -1.659 -8.325 -9.591 1.00 24.33 H new ATOM 0 HD23 LEU B 78 -0.199 -7.557 -10.259 1.00 24.33 H new ATOM 1383 N SER B 79 0.758 -3.496 -8.535 1.00 14.21 N ATOM 1384 CA SER B 79 2.113 -2.990 -8.779 1.00 41.40 C ATOM 1385 C SER B 79 2.424 -1.754 -7.907 1.00 71.21 C ATOM 1386 O SER B 79 3.551 -1.621 -7.424 1.00 2.21 O ATOM 1387 CB SER B 79 2.264 -2.668 -10.274 1.00 51.10 C ATOM 1388 OG SER B 79 1.947 -3.801 -11.070 1.00 61.04 O ATOM 0 H SER B 79 0.086 -3.215 -9.249 1.00 14.21 H new ATOM 0 HA SER B 79 2.834 -3.758 -8.500 1.00 41.40 H new ATOM 0 HB2 SER B 79 1.610 -1.837 -10.539 1.00 51.10 H new ATOM 0 HB3 SER B 79 3.285 -2.348 -10.480 1.00 51.10 H new ATOM 0 HG SER B 79 2.048 -3.573 -12.018 1.00 61.04 H new ATOM 1394 N VAL B 80 1.401 -0.882 -7.685 1.00 40.42 N ATOM 1395 CA VAL B 80 1.507 0.353 -6.850 1.00 55.21 C ATOM 1396 C VAL B 80 2.015 0.019 -5.440 1.00 44.52 C ATOM 1397 O VAL B 80 2.842 0.748 -4.873 1.00 12.30 O ATOM 1398 CB VAL B 80 0.107 1.100 -6.766 1.00 24.01 C ATOM 1399 CG1 VAL B 80 0.067 2.225 -5.695 1.00 10.23 C ATOM 1400 CG2 VAL B 80 -0.273 1.665 -8.148 1.00 70.52 C ATOM 0 H VAL B 80 0.471 -1.016 -8.083 1.00 40.42 H new ATOM 0 HA VAL B 80 2.227 1.018 -7.328 1.00 55.21 H new ATOM 0 HB VAL B 80 -0.624 0.355 -6.453 1.00 24.01 H new ATOM 0 HG11 VAL B 80 -0.918 2.691 -5.694 1.00 10.23 H new ATOM 0 HG12 VAL B 80 0.268 1.799 -4.712 1.00 10.23 H new ATOM 0 HG13 VAL B 80 0.823 2.975 -5.927 1.00 10.23 H new ATOM 0 HG21 VAL B 80 -1.234 2.175 -8.081 1.00 70.52 H new ATOM 0 HG22 VAL B 80 0.491 2.371 -8.475 1.00 70.52 H new ATOM 0 HG23 VAL B 80 -0.345 0.849 -8.867 1.00 70.52 H new ATOM 1410 N ILE B 81 1.497 -1.099 -4.907 1.00 12.10 N ATOM 1411 CA ILE B 81 1.909 -1.666 -3.623 1.00 44.40 C ATOM 1412 C ILE B 81 3.451 -1.801 -3.543 1.00 2.33 C ATOM 1413 O ILE B 81 4.082 -1.260 -2.634 1.00 70.12 O ATOM 1414 CB ILE B 81 1.207 -3.057 -3.365 1.00 4.23 C ATOM 1415 CG1 ILE B 81 -0.361 -2.942 -3.439 1.00 25.53 C ATOM 1416 CG2 ILE B 81 1.649 -3.643 -2.017 1.00 4.51 C ATOM 1417 CD1 ILE B 81 -0.979 -1.861 -2.565 1.00 34.05 C ATOM 0 H ILE B 81 0.767 -1.641 -5.369 1.00 12.10 H new ATOM 0 HA ILE B 81 1.591 -0.979 -2.839 1.00 44.40 H new ATOM 0 HB ILE B 81 1.520 -3.736 -4.158 1.00 4.23 H new ATOM 0 HG12 ILE B 81 -0.646 -2.755 -4.474 1.00 25.53 H new ATOM 0 HG13 ILE B 81 -0.792 -3.903 -3.158 1.00 25.53 H new ATOM 0 HG21 ILE B 81 1.155 -4.601 -1.857 1.00 4.51 H new ATOM 0 HG22 ILE B 81 2.729 -3.788 -2.020 1.00 4.51 H new ATOM 0 HG23 ILE B 81 1.377 -2.956 -1.215 1.00 4.51 H new ATOM 0 HD11 ILE B 81 -2.062 -1.867 -2.690 1.00 34.05 H new ATOM 0 HD12 ILE B 81 -0.734 -2.053 -1.521 1.00 34.05 H new ATOM 0 HD13 ILE B 81 -0.585 -0.888 -2.857 1.00 34.05 H new ATOM 1429 N GLU B 82 4.040 -2.473 -4.544 1.00 43.44 N ATOM 1430 CA GLU B 82 5.505 -2.682 -4.613 1.00 22.41 C ATOM 1431 C GLU B 82 6.267 -1.371 -4.920 1.00 41.31 C ATOM 1432 O GLU B 82 7.407 -1.194 -4.465 1.00 45.40 O ATOM 1433 CB GLU B 82 5.875 -3.777 -5.640 1.00 41.54 C ATOM 1434 CG GLU B 82 7.376 -4.142 -5.624 1.00 40.31 C ATOM 1435 CD GLU B 82 7.729 -5.282 -6.572 1.00 44.11 C ATOM 1436 OE1 GLU B 82 7.608 -6.455 -6.166 1.00 60.34 O ATOM 1437 OE2 GLU B 82 8.109 -5.010 -7.737 1.00 73.42 O ATOM 0 H GLU B 82 3.526 -2.885 -5.323 1.00 43.44 H new ATOM 0 HA GLU B 82 5.816 -3.021 -3.625 1.00 22.41 H new ATOM 0 HB2 GLU B 82 5.288 -4.672 -5.435 1.00 41.54 H new ATOM 0 HB3 GLU B 82 5.601 -3.437 -6.639 1.00 41.54 H new ATOM 0 HG2 GLU B 82 7.960 -3.262 -5.892 1.00 40.31 H new ATOM 0 HG3 GLU B 82 7.665 -4.419 -4.610 1.00 40.31 H new ATOM 1444 N GLU B 83 5.631 -0.447 -5.662 1.00 23.24 N ATOM 1445 CA GLU B 83 6.229 0.873 -5.970 1.00 20.14 C ATOM 1446 C GLU B 83 6.364 1.730 -4.696 1.00 4.14 C ATOM 1447 O GLU B 83 7.169 2.662 -4.650 1.00 32.35 O ATOM 1448 CB GLU B 83 5.400 1.620 -7.044 1.00 32.21 C ATOM 1449 CG GLU B 83 5.302 0.896 -8.401 1.00 44.52 C ATOM 1450 CD GLU B 83 6.674 0.579 -9.026 1.00 33.01 C ATOM 1451 OE1 GLU B 83 7.293 1.495 -9.602 1.00 30.43 O ATOM 1452 OE2 GLU B 83 7.136 -0.582 -8.954 1.00 41.51 O ATOM 0 H GLU B 83 4.703 -0.586 -6.061 1.00 23.24 H new ATOM 0 HA GLU B 83 7.228 0.700 -6.370 1.00 20.14 H new ATOM 0 HB2 GLU B 83 4.393 1.780 -6.659 1.00 32.21 H new ATOM 0 HB3 GLU B 83 5.840 2.604 -7.204 1.00 32.21 H new ATOM 0 HG2 GLU B 83 4.748 -0.033 -8.269 1.00 44.52 H new ATOM 0 HG3 GLU B 83 4.730 1.513 -9.093 1.00 44.52 H new ATOM 1459 N MET B 84 5.553 1.409 -3.675 1.00 40.40 N ATOM 1460 CA MET B 84 5.704 1.962 -2.321 1.00 1.20 C ATOM 1461 C MET B 84 6.786 1.163 -1.566 1.00 64.53 C ATOM 1462 O MET B 84 7.631 1.738 -0.877 1.00 34.24 O ATOM 1463 CB MET B 84 4.348 1.912 -1.564 1.00 13.11 C ATOM 1464 CG MET B 84 3.234 2.724 -2.226 1.00 13.55 C ATOM 1465 SD MET B 84 1.695 2.722 -1.282 1.00 61.53 S ATOM 1466 CE MET B 84 1.252 0.994 -1.256 1.00 24.43 C ATOM 0 H MET B 84 4.773 0.758 -3.766 1.00 40.40 H new ATOM 0 HA MET B 84 6.013 3.006 -2.384 1.00 1.20 H new ATOM 0 HB2 MET B 84 4.027 0.873 -1.483 1.00 13.11 H new ATOM 0 HB3 MET B 84 4.497 2.280 -0.549 1.00 13.11 H new ATOM 0 HG2 MET B 84 3.571 3.752 -2.357 1.00 13.55 H new ATOM 0 HG3 MET B 84 3.043 2.322 -3.221 1.00 13.55 H new ATOM 0 HE1 MET B 84 0.312 0.867 -0.719 1.00 24.43 H new ATOM 0 HE2 MET B 84 1.137 0.632 -2.278 1.00 24.43 H new ATOM 0 HE3 MET B 84 2.036 0.425 -0.756 1.00 24.43 H new ATOM 1476 N GLY B 85 6.753 -0.176 -1.759 1.00 13.33 N ATOM 1477 CA GLY B 85 7.656 -1.125 -1.089 1.00 55.21 C ATOM 1478 C GLY B 85 9.134 -0.838 -1.271 1.00 35.32 C ATOM 1479 O GLY B 85 9.949 -1.130 -0.382 1.00 54.12 O ATOM 0 H GLY B 85 6.091 -0.626 -2.391 1.00 13.33 H new ATOM 0 HA2 GLY B 85 7.430 -1.128 -0.023 1.00 55.21 H new ATOM 0 HA3 GLY B 85 7.447 -2.128 -1.462 1.00 55.21 H new ATOM 1483 N LYS B 86 9.475 -0.252 -2.418 1.00 74.41 N ATOM 1484 CA LYS B 86 10.864 0.038 -2.783 1.00 3.33 C ATOM 1485 C LYS B 86 11.296 1.409 -2.226 1.00 70.44 C ATOM 1486 O LYS B 86 12.480 1.625 -1.960 1.00 1.40 O ATOM 1487 CB LYS B 86 11.013 -0.026 -4.321 1.00 73.13 C ATOM 1488 CG LYS B 86 10.168 1.004 -5.106 1.00 35.32 C ATOM 1489 CD LYS B 86 10.100 0.704 -6.622 1.00 20.22 C ATOM 1490 CE LYS B 86 11.480 0.569 -7.286 1.00 60.43 C ATOM 1491 NZ LYS B 86 11.356 0.242 -8.732 1.00 71.32 N ATOM 0 H LYS B 86 8.796 0.036 -3.123 1.00 74.41 H new ATOM 0 HA LYS B 86 11.522 -0.710 -2.341 1.00 3.33 H new ATOM 0 HB2 LYS B 86 12.063 0.120 -4.575 1.00 73.13 H new ATOM 0 HB3 LYS B 86 10.740 -1.027 -4.655 1.00 73.13 H new ATOM 0 HG2 LYS B 86 9.157 1.021 -4.699 1.00 35.32 H new ATOM 0 HG3 LYS B 86 10.588 1.999 -4.957 1.00 35.32 H new ATOM 0 HD2 LYS B 86 9.540 -0.218 -6.776 1.00 20.22 H new ATOM 0 HD3 LYS B 86 9.545 1.501 -7.117 1.00 20.22 H new ATOM 0 HE2 LYS B 86 12.035 1.500 -7.168 1.00 60.43 H new ATOM 0 HE3 LYS B 86 12.053 -0.210 -6.783 1.00 60.43 H new ATOM 0 HZ1 LYS B 86 12.304 0.158 -9.151 1.00 71.32 H new ATOM 0 HZ2 LYS B 86 10.847 -0.658 -8.842 1.00 71.32 H new ATOM 0 HZ3 LYS B 86 10.830 0.998 -9.215 1.00 71.32 H new ATOM 1505 N GLU B 87 10.312 2.320 -2.033 1.00 21.24 N ATOM 1506 CA GLU B 87 10.560 3.683 -1.514 1.00 23.32 C ATOM 1507 C GLU B 87 10.787 3.681 0.004 1.00 5.44 C ATOM 1508 O GLU B 87 11.265 4.666 0.551 1.00 44.04 O ATOM 1509 CB GLU B 87 9.394 4.639 -1.876 1.00 72.24 C ATOM 1510 CG GLU B 87 9.180 4.841 -3.386 1.00 63.31 C ATOM 1511 CD GLU B 87 10.467 5.250 -4.132 1.00 63.44 C ATOM 1512 OE1 GLU B 87 11.069 6.289 -3.779 1.00 44.33 O ATOM 1513 OE2 GLU B 87 10.883 4.537 -5.075 1.00 53.43 O ATOM 0 H GLU B 87 9.330 2.130 -2.232 1.00 21.24 H new ATOM 0 HA GLU B 87 11.471 4.044 -1.992 1.00 23.32 H new ATOM 0 HB2 GLU B 87 8.474 4.250 -1.440 1.00 72.24 H new ATOM 0 HB3 GLU B 87 9.580 5.609 -1.415 1.00 72.24 H new ATOM 0 HG2 GLU B 87 8.795 3.918 -3.819 1.00 63.31 H new ATOM 0 HG3 GLU B 87 8.420 5.607 -3.540 1.00 63.31 H new ATOM 1520 N ILE B 88 10.464 2.558 0.663 1.00 52.30 N ATOM 1521 CA ILE B 88 10.605 2.397 2.126 1.00 3.01 C ATOM 1522 C ILE B 88 12.091 2.500 2.564 1.00 32.13 C ATOM 1523 O ILE B 88 12.393 3.070 3.615 1.00 11.42 O ATOM 1524 CB ILE B 88 9.982 1.019 2.573 1.00 65.03 C ATOM 1525 CG1 ILE B 88 8.468 0.983 2.195 1.00 62.35 C ATOM 1526 CG2 ILE B 88 10.189 0.734 4.082 1.00 44.31 C ATOM 1527 CD1 ILE B 88 7.765 -0.328 2.480 1.00 53.44 C ATOM 0 H ILE B 88 10.095 1.729 0.197 1.00 52.30 H new ATOM 0 HA ILE B 88 10.064 3.206 2.617 1.00 3.01 H new ATOM 0 HB ILE B 88 10.507 0.226 2.040 1.00 65.03 H new ATOM 0 HG12 ILE B 88 7.955 1.778 2.737 1.00 62.35 H new ATOM 0 HG13 ILE B 88 8.369 1.207 1.133 1.00 62.35 H new ATOM 0 HG21 ILE B 88 9.741 -0.227 4.336 1.00 44.31 H new ATOM 0 HG22 ILE B 88 11.256 0.707 4.304 1.00 44.31 H new ATOM 0 HG23 ILE B 88 9.716 1.521 4.669 1.00 44.31 H new ATOM 0 HD11 ILE B 88 6.719 -0.252 2.183 1.00 53.44 H new ATOM 0 HD12 ILE B 88 8.245 -1.128 1.917 1.00 53.44 H new ATOM 0 HD13 ILE B 88 7.824 -0.549 3.546 1.00 53.44 H new ATOM 1539 N ARG B 89 12.993 1.968 1.720 1.00 40.43 N ATOM 1540 CA ARG B 89 14.448 1.953 2.007 1.00 63.23 C ATOM 1541 C ARG B 89 15.085 3.378 1.942 1.00 21.34 C ATOM 1542 O ARG B 89 15.753 3.770 2.907 1.00 4.40 O ATOM 1543 CB ARG B 89 15.183 0.940 1.086 1.00 34.14 C ATOM 1544 CG ARG B 89 14.765 -0.529 1.294 1.00 43.44 C ATOM 1545 CD ARG B 89 15.060 -1.024 2.720 1.00 70.52 C ATOM 1546 NE ARG B 89 14.719 -2.441 2.889 1.00 12.22 N ATOM 1547 CZ ARG B 89 14.184 -2.982 3.989 1.00 51.31 C ATOM 1548 NH1 ARG B 89 13.916 -2.242 5.056 1.00 30.35 N ATOM 1549 NH2 ARG B 89 13.921 -4.273 4.025 1.00 2.14 N ATOM 0 H ARG B 89 12.743 1.540 0.829 1.00 40.43 H new ATOM 0 HA ARG B 89 14.573 1.617 3.036 1.00 63.23 H new ATOM 0 HB2 ARG B 89 15.000 1.213 0.047 1.00 34.14 H new ATOM 0 HB3 ARG B 89 16.256 1.027 1.254 1.00 34.14 H new ATOM 0 HG2 ARG B 89 13.700 -0.634 1.089 1.00 43.44 H new ATOM 0 HG3 ARG B 89 15.291 -1.159 0.577 1.00 43.44 H new ATOM 0 HD2 ARG B 89 16.116 -0.876 2.945 1.00 70.52 H new ATOM 0 HD3 ARG B 89 14.495 -0.427 3.436 1.00 70.52 H new ATOM 0 HE ARG B 89 14.905 -3.064 2.103 1.00 12.22 H new ATOM 0 HH11 ARG B 89 14.118 -1.242 5.047 1.00 30.35 H new ATOM 0 HH12 ARG B 89 13.508 -2.673 5.886 1.00 30.35 H new ATOM 0 HH21 ARG B 89 14.125 -4.858 3.215 1.00 2.14 H new ATOM 0 HH22 ARG B 89 13.513 -4.687 4.863 1.00 2.14 H new ATOM 1563 N PRO B 90 14.936 4.182 0.820 1.00 23.10 N ATOM 1564 CA PRO B 90 15.457 5.568 0.775 1.00 0.43 C ATOM 1565 C PRO B 90 14.716 6.519 1.756 1.00 4.52 C ATOM 1566 O PRO B 90 15.328 7.451 2.266 1.00 4.33 O ATOM 1567 CB PRO B 90 15.295 5.980 -0.712 1.00 5.45 C ATOM 1568 CG PRO B 90 14.217 5.090 -1.252 1.00 44.14 C ATOM 1569 CD PRO B 90 14.339 3.791 -0.492 1.00 31.41 C ATOM 0 HA PRO B 90 16.494 5.633 1.105 1.00 0.43 H new ATOM 0 HB2 PRO B 90 15.019 7.031 -0.802 1.00 5.45 H new ATOM 0 HB3 PRO B 90 16.227 5.847 -1.261 1.00 5.45 H new ATOM 0 HG2 PRO B 90 13.233 5.536 -1.109 1.00 44.14 H new ATOM 0 HG3 PRO B 90 14.342 4.930 -2.323 1.00 44.14 H new ATOM 0 HD2 PRO B 90 13.367 3.315 -0.360 1.00 31.41 H new ATOM 0 HD3 PRO B 90 14.973 3.079 -1.021 1.00 31.41 H new ATOM 1577 N THR B 91 13.417 6.255 2.038 1.00 43.40 N ATOM 1578 CA THR B 91 12.660 6.976 3.100 1.00 11.12 C ATOM 1579 C THR B 91 13.347 6.771 4.466 1.00 25.31 C ATOM 1580 O THR B 91 13.578 7.729 5.212 1.00 11.34 O ATOM 1581 CB THR B 91 11.170 6.501 3.147 1.00 50.12 C ATOM 1582 OG1 THR B 91 10.529 6.878 1.920 1.00 64.44 O ATOM 1583 CG2 THR B 91 10.364 7.087 4.322 1.00 74.54 C ATOM 0 H THR B 91 12.869 5.549 1.547 1.00 43.40 H new ATOM 0 HA THR B 91 12.659 8.040 2.865 1.00 11.12 H new ATOM 0 HB THR B 91 11.190 5.420 3.287 1.00 50.12 H new ATOM 0 HG1 THR B 91 10.581 6.136 1.282 1.00 64.44 H new ATOM 0 HG21 THR B 91 9.342 6.711 4.285 1.00 74.54 H new ATOM 0 HG22 THR B 91 10.826 6.791 5.264 1.00 74.54 H new ATOM 0 HG23 THR B 91 10.353 8.175 4.249 1.00 74.54 H new ATOM 1591 N TYR B 92 13.709 5.506 4.747 1.00 31.41 N ATOM 1592 CA TYR B 92 14.453 5.115 5.961 1.00 11.12 C ATOM 1593 C TYR B 92 15.863 5.743 5.972 1.00 1.44 C ATOM 1594 O TYR B 92 16.443 5.972 7.039 1.00 62.41 O ATOM 1595 CB TYR B 92 14.547 3.566 6.047 1.00 65.34 C ATOM 1596 CG TYR B 92 15.215 3.037 7.326 1.00 4.43 C ATOM 1597 CD1 TYR B 92 14.538 3.072 8.538 1.00 51.32 C ATOM 1598 CD2 TYR B 92 16.511 2.505 7.317 1.00 22.41 C ATOM 1599 CE1 TYR B 92 15.118 2.604 9.690 1.00 71.24 C ATOM 1600 CE2 TYR B 92 17.096 2.029 8.471 1.00 20.14 C ATOM 1601 CZ TYR B 92 16.397 2.084 9.655 1.00 14.20 C ATOM 1602 OH TYR B 92 16.975 1.604 10.808 1.00 30.10 O ATOM 0 H TYR B 92 13.492 4.720 4.134 1.00 31.41 H new ATOM 0 HA TYR B 92 13.914 5.488 6.832 1.00 11.12 H new ATOM 0 HB2 TYR B 92 13.542 3.150 5.978 1.00 65.34 H new ATOM 0 HB3 TYR B 92 15.103 3.200 5.184 1.00 65.34 H new ATOM 0 HD1 TYR B 92 13.537 3.475 8.574 1.00 51.32 H new ATOM 0 HD2 TYR B 92 17.062 2.467 6.389 1.00 22.41 H new ATOM 0 HE1 TYR B 92 14.575 2.642 10.623 1.00 71.24 H new ATOM 0 HE2 TYR B 92 18.094 1.617 8.446 1.00 20.14 H new ATOM 0 HH TYR B 92 16.649 2.118 11.576 1.00 30.10 H new ATOM 1612 N ALA B 93 16.396 6.020 4.773 1.00 64.12 N ATOM 1613 CA ALA B 93 17.720 6.634 4.594 1.00 15.23 C ATOM 1614 C ALA B 93 17.648 8.170 4.707 1.00 74.44 C ATOM 1615 O ALA B 93 18.672 8.844 4.579 1.00 72.12 O ATOM 1616 CB ALA B 93 18.303 6.213 3.238 1.00 5.42 C ATOM 0 H ALA B 93 15.917 5.823 3.894 1.00 64.12 H new ATOM 0 HA ALA B 93 18.376 6.282 5.390 1.00 15.23 H new ATOM 0 HB1 ALA B 93 19.284 6.669 3.107 1.00 5.42 H new ATOM 0 HB2 ALA B 93 18.400 5.128 3.205 1.00 5.42 H new ATOM 0 HB3 ALA B 93 17.640 6.543 2.439 1.00 5.42 H new ATOM 1622 N GLY B 94 16.441 8.709 4.948 1.00 4.24 N ATOM 1623 CA GLY B 94 16.250 10.146 5.138 1.00 71.11 C ATOM 1624 C GLY B 94 15.886 10.919 3.872 1.00 73.15 C ATOM 1625 O GLY B 94 15.739 12.134 3.945 1.00 52.01 O ATOM 0 H GLY B 94 15.582 8.163 5.015 1.00 4.24 H new ATOM 0 HA2 GLY B 94 15.464 10.299 5.878 1.00 71.11 H new ATOM 0 HA3 GLY B 94 17.165 10.568 5.553 1.00 71.11 H new ATOM 1629 N SER B 95 15.756 10.235 2.719 1.00 43.03 N ATOM 1630 CA SER B 95 15.338 10.880 1.449 1.00 23.13 C ATOM 1631 C SER B 95 13.859 11.344 1.498 1.00 31.44 C ATOM 1632 O SER B 95 12.938 10.520 1.436 1.00 52.03 O ATOM 1633 CB SER B 95 15.551 9.911 0.258 1.00 24.13 C ATOM 1634 OG SER B 95 16.869 9.401 0.235 1.00 22.34 O ATOM 0 H SER B 95 15.934 9.234 2.636 1.00 43.03 H new ATOM 0 HA SER B 95 15.960 11.764 1.311 1.00 23.13 H new ATOM 0 HB2 SER B 95 14.842 9.086 0.327 1.00 24.13 H new ATOM 0 HB3 SER B 95 15.345 10.431 -0.677 1.00 24.13 H new ATOM 0 HG SER B 95 16.971 8.792 -0.526 1.00 22.34 H new ATOM 1640 N LYS B 96 13.659 12.673 1.660 1.00 22.54 N ATOM 1641 CA LYS B 96 12.323 13.320 1.663 1.00 3.52 C ATOM 1642 C LYS B 96 11.551 13.100 0.344 1.00 21.54 C ATOM 1643 O LYS B 96 10.318 13.058 0.348 1.00 65.35 O ATOM 1644 CB LYS B 96 12.460 14.845 1.946 1.00 22.51 C ATOM 1645 CG LYS B 96 13.231 15.646 0.859 1.00 73.24 C ATOM 1646 CD LYS B 96 13.234 17.174 1.117 1.00 70.44 C ATOM 1647 CE LYS B 96 13.975 17.572 2.406 1.00 3.42 C ATOM 1648 NZ LYS B 96 15.428 17.249 2.340 1.00 14.55 N ATOM 0 H LYS B 96 14.425 13.333 1.793 1.00 22.54 H new ATOM 0 HA LYS B 96 11.747 12.847 2.459 1.00 3.52 H new ATOM 0 HB2 LYS B 96 11.462 15.271 2.051 1.00 22.51 H new ATOM 0 HB3 LYS B 96 12.966 14.978 2.902 1.00 22.51 H new ATOM 0 HG2 LYS B 96 14.260 15.289 0.815 1.00 73.24 H new ATOM 0 HG3 LYS B 96 12.783 15.449 -0.115 1.00 73.24 H new ATOM 0 HD2 LYS B 96 13.698 17.678 0.269 1.00 70.44 H new ATOM 0 HD3 LYS B 96 12.205 17.528 1.174 1.00 70.44 H new ATOM 0 HE2 LYS B 96 13.849 18.641 2.581 1.00 3.42 H new ATOM 0 HE3 LYS B 96 13.527 17.055 3.255 1.00 3.42 H new ATOM 0 HZ1 LYS B 96 15.903 17.610 3.192 1.00 14.55 H new ATOM 0 HZ2 LYS B 96 15.552 16.218 2.285 1.00 14.55 H new ATOM 0 HZ3 LYS B 96 15.845 17.694 1.497 1.00 14.55 H new ATOM 1662 N SER B 97 12.297 12.979 -0.770 1.00 40.15 N ATOM 1663 CA SER B 97 11.729 12.730 -2.104 1.00 72.44 C ATOM 1664 C SER B 97 11.072 11.340 -2.162 1.00 42.34 C ATOM 1665 O SER B 97 9.978 11.188 -2.704 1.00 13.31 O ATOM 1666 CB SER B 97 12.832 12.870 -3.179 1.00 40.14 C ATOM 1667 OG SER B 97 13.394 14.176 -3.162 1.00 1.45 O ATOM 0 H SER B 97 13.314 13.052 -0.768 1.00 40.15 H new ATOM 0 HA SER B 97 10.955 13.471 -2.304 1.00 72.44 H new ATOM 0 HB2 SER B 97 13.614 12.131 -3.002 1.00 40.14 H new ATOM 0 HB3 SER B 97 12.414 12.662 -4.164 1.00 40.14 H new ATOM 0 HG SER B 97 14.090 14.241 -3.848 1.00 1.45 H new ATOM 1673 N ALA B 98 11.759 10.335 -1.586 1.00 63.45 N ATOM 1674 CA ALA B 98 11.233 8.972 -1.449 1.00 72.21 C ATOM 1675 C ALA B 98 10.008 8.931 -0.536 1.00 42.14 C ATOM 1676 O ALA B 98 9.042 8.238 -0.834 1.00 31.13 O ATOM 1677 CB ALA B 98 12.319 8.056 -0.900 1.00 40.24 C ATOM 0 H ALA B 98 12.697 10.451 -1.203 1.00 63.45 H new ATOM 0 HA ALA B 98 10.925 8.629 -2.436 1.00 72.21 H new ATOM 0 HB1 ALA B 98 11.925 7.045 -0.799 1.00 40.24 H new ATOM 0 HB2 ALA B 98 13.168 8.049 -1.583 1.00 40.24 H new ATOM 0 HB3 ALA B 98 12.642 8.418 0.076 1.00 40.24 H new ATOM 1683 N MET B 99 10.082 9.676 0.588 1.00 41.44 N ATOM 1684 CA MET B 99 8.973 9.821 1.550 1.00 2.34 C ATOM 1685 C MET B 99 7.745 10.463 0.881 1.00 22.01 C ATOM 1686 O MET B 99 6.614 10.098 1.179 1.00 25.12 O ATOM 1687 CB MET B 99 9.436 10.673 2.762 1.00 41.24 C ATOM 1688 CG MET B 99 8.379 10.881 3.860 1.00 52.41 C ATOM 1689 SD MET B 99 8.925 12.008 5.168 1.00 61.02 S ATOM 1690 CE MET B 99 9.292 13.517 4.264 1.00 34.44 C ATOM 0 H MET B 99 10.919 10.196 0.853 1.00 41.44 H new ATOM 0 HA MET B 99 8.685 8.830 1.900 1.00 2.34 H new ATOM 0 HB2 MET B 99 10.310 10.197 3.207 1.00 41.24 H new ATOM 0 HB3 MET B 99 9.755 11.650 2.398 1.00 41.24 H new ATOM 0 HG2 MET B 99 7.467 11.272 3.409 1.00 52.41 H new ATOM 0 HG3 MET B 99 8.128 9.917 4.301 1.00 52.41 H new ATOM 0 HE1 MET B 99 8.903 14.374 4.814 1.00 34.44 H new ATOM 0 HE2 MET B 99 10.371 13.619 4.149 1.00 34.44 H new ATOM 0 HE3 MET B 99 8.825 13.475 3.280 1.00 34.44 H new ATOM 1700 N GLU B 100 8.005 11.406 -0.039 1.00 32.43 N ATOM 1701 CA GLU B 100 6.967 12.104 -0.815 1.00 1.42 C ATOM 1702 C GLU B 100 6.238 11.119 -1.749 1.00 54.43 C ATOM 1703 O GLU B 100 5.008 11.150 -1.861 1.00 61.15 O ATOM 1704 CB GLU B 100 7.619 13.261 -1.622 1.00 40.35 C ATOM 1705 CG GLU B 100 6.660 14.060 -2.533 1.00 41.25 C ATOM 1706 CD GLU B 100 5.480 14.700 -1.780 1.00 45.12 C ATOM 1707 OE1 GLU B 100 5.712 15.578 -0.925 1.00 20.40 O ATOM 1708 OE2 GLU B 100 4.317 14.310 -2.010 1.00 22.44 O ATOM 0 H GLU B 100 8.952 11.708 -0.267 1.00 32.43 H new ATOM 0 HA GLU B 100 6.226 12.524 -0.135 1.00 1.42 H new ATOM 0 HB2 GLU B 100 8.086 13.952 -0.920 1.00 40.35 H new ATOM 0 HB3 GLU B 100 8.416 12.846 -2.239 1.00 40.35 H new ATOM 0 HG2 GLU B 100 7.223 14.843 -3.040 1.00 41.25 H new ATOM 0 HG3 GLU B 100 6.270 13.397 -3.305 1.00 41.25 H new ATOM 1715 N ARG B 101 7.024 10.225 -2.385 1.00 72.44 N ATOM 1716 CA ARG B 101 6.494 9.187 -3.292 1.00 3.32 C ATOM 1717 C ARG B 101 5.712 8.140 -2.489 1.00 0.23 C ATOM 1718 O ARG B 101 4.648 7.707 -2.901 1.00 73.22 O ATOM 1719 CB ARG B 101 7.642 8.479 -4.064 1.00 22.45 C ATOM 1720 CG ARG B 101 8.516 9.410 -4.919 1.00 62.54 C ATOM 1721 CD ARG B 101 9.646 8.661 -5.651 1.00 64.12 C ATOM 1722 NE ARG B 101 10.706 9.571 -6.130 1.00 44.41 N ATOM 1723 CZ ARG B 101 11.982 9.566 -5.691 1.00 3.54 C ATOM 1724 NH1 ARG B 101 12.380 8.698 -4.762 1.00 14.12 N ATOM 1725 NH2 ARG B 101 12.849 10.422 -6.193 1.00 21.24 N ATOM 0 H ARG B 101 8.039 10.203 -2.285 1.00 72.44 H new ATOM 0 HA ARG B 101 5.835 9.675 -4.010 1.00 3.32 H new ATOM 0 HB2 ARG B 101 8.280 7.964 -3.346 1.00 22.45 H new ATOM 0 HB3 ARG B 101 7.209 7.716 -4.711 1.00 22.45 H new ATOM 0 HG2 ARG B 101 7.889 9.918 -5.652 1.00 62.54 H new ATOM 0 HG3 ARG B 101 8.950 10.180 -4.282 1.00 62.54 H new ATOM 0 HD2 ARG B 101 10.082 7.921 -4.980 1.00 64.12 H new ATOM 0 HD3 ARG B 101 9.228 8.116 -6.498 1.00 64.12 H new ATOM 0 HE ARG B 101 10.455 10.254 -6.845 1.00 44.41 H new ATOM 0 HH11 ARG B 101 11.717 8.027 -4.374 1.00 14.12 H new ATOM 0 HH12 ARG B 101 13.347 8.705 -4.439 1.00 14.12 H new ATOM 0 HH21 ARG B 101 12.555 11.085 -6.910 1.00 21.24 H new ATOM 0 HH22 ARG B 101 13.815 10.422 -5.864 1.00 21.24 H new ATOM 1739 N LEU B 102 6.271 7.773 -1.329 1.00 41.44 N ATOM 1740 CA LEU B 102 5.742 6.716 -0.449 1.00 4.53 C ATOM 1741 C LEU B 102 4.378 7.137 0.141 1.00 43.23 C ATOM 1742 O LEU B 102 3.425 6.359 0.118 1.00 45.12 O ATOM 1743 CB LEU B 102 6.806 6.412 0.647 1.00 75.53 C ATOM 1744 CG LEU B 102 6.514 5.248 1.649 1.00 25.21 C ATOM 1745 CD1 LEU B 102 6.131 3.947 0.937 1.00 43.14 C ATOM 1746 CD2 LEU B 102 7.721 5.017 2.584 1.00 63.41 C ATOM 0 H LEU B 102 7.119 8.209 -0.967 1.00 41.44 H new ATOM 0 HA LEU B 102 5.559 5.801 -1.012 1.00 4.53 H new ATOM 0 HB2 LEU B 102 7.749 6.193 0.146 1.00 75.53 H new ATOM 0 HB3 LEU B 102 6.958 7.322 1.227 1.00 75.53 H new ATOM 0 HG LEU B 102 5.655 5.552 2.247 1.00 25.21 H new ATOM 0 HD11 LEU B 102 5.938 3.170 1.677 1.00 43.14 H new ATOM 0 HD12 LEU B 102 5.234 4.110 0.340 1.00 43.14 H new ATOM 0 HD13 LEU B 102 6.948 3.634 0.287 1.00 43.14 H new ATOM 0 HD21 LEU B 102 7.497 4.203 3.273 1.00 63.41 H new ATOM 0 HD22 LEU B 102 8.597 4.758 1.990 1.00 63.41 H new ATOM 0 HD23 LEU B 102 7.922 5.927 3.150 1.00 63.41 H new ATOM 1758 N LYS B 103 4.300 8.385 0.642 1.00 4.12 N ATOM 1759 CA LYS B 103 3.042 9.009 1.112 1.00 54.32 C ATOM 1760 C LYS B 103 2.004 9.126 -0.026 1.00 12.42 C ATOM 1761 O LYS B 103 0.845 8.750 0.156 1.00 74.24 O ATOM 1762 CB LYS B 103 3.338 10.414 1.714 1.00 72.23 C ATOM 1763 CG LYS B 103 4.060 10.403 3.082 1.00 24.02 C ATOM 1764 CD LYS B 103 3.180 9.862 4.226 1.00 54.23 C ATOM 1765 CE LYS B 103 1.985 10.772 4.554 1.00 41.24 C ATOM 1766 NZ LYS B 103 2.417 12.113 5.036 1.00 61.45 N ATOM 0 H LYS B 103 5.112 8.995 0.734 1.00 4.12 H new ATOM 0 HA LYS B 103 2.617 8.366 1.883 1.00 54.32 H new ATOM 0 HB2 LYS B 103 3.946 10.975 1.004 1.00 72.23 H new ATOM 0 HB3 LYS B 103 2.396 10.952 1.822 1.00 72.23 H new ATOM 0 HG2 LYS B 103 4.961 9.794 3.006 1.00 24.02 H new ATOM 0 HG3 LYS B 103 4.380 11.416 3.326 1.00 24.02 H new ATOM 0 HD2 LYS B 103 2.811 8.873 3.955 1.00 54.23 H new ATOM 0 HD3 LYS B 103 3.792 9.740 5.120 1.00 54.23 H new ATOM 0 HE2 LYS B 103 1.365 10.889 3.665 1.00 41.24 H new ATOM 0 HE3 LYS B 103 1.366 10.296 5.314 1.00 41.24 H new ATOM 0 HZ1 LYS B 103 1.589 12.644 5.373 1.00 61.45 H new ATOM 0 HZ2 LYS B 103 3.096 12.000 5.816 1.00 61.45 H new ATOM 0 HZ3 LYS B 103 2.869 12.633 4.257 1.00 61.45 H new ATOM 1780 N ARG B 104 2.442 9.660 -1.190 1.00 13.32 N ATOM 1781 CA ARG B 104 1.580 9.817 -2.385 1.00 1.33 C ATOM 1782 C ARG B 104 1.130 8.443 -2.904 1.00 71.44 C ATOM 1783 O ARG B 104 0.082 8.321 -3.543 1.00 45.52 O ATOM 1784 CB ARG B 104 2.327 10.602 -3.502 1.00 33.43 C ATOM 1785 CG ARG B 104 1.438 11.044 -4.693 1.00 5.50 C ATOM 1786 CD ARG B 104 2.252 11.692 -5.829 1.00 71.32 C ATOM 1787 NE ARG B 104 1.396 12.154 -6.939 1.00 43.44 N ATOM 1788 CZ ARG B 104 0.956 13.416 -7.115 1.00 71.55 C ATOM 1789 NH1 ARG B 104 1.264 14.386 -6.257 1.00 22.31 N ATOM 1790 NH2 ARG B 104 0.213 13.711 -8.168 1.00 73.42 N ATOM 0 H ARG B 104 3.397 9.992 -1.327 1.00 13.32 H new ATOM 0 HA ARG B 104 0.696 10.387 -2.099 1.00 1.33 H new ATOM 0 HB2 ARG B 104 2.784 11.487 -3.060 1.00 33.43 H new ATOM 0 HB3 ARG B 104 3.138 9.981 -3.883 1.00 33.43 H new ATOM 0 HG2 ARG B 104 0.902 10.179 -5.083 1.00 5.50 H new ATOM 0 HG3 ARG B 104 0.688 11.751 -4.339 1.00 5.50 H new ATOM 0 HD2 ARG B 104 2.816 12.536 -5.433 1.00 71.32 H new ATOM 0 HD3 ARG B 104 2.978 10.973 -6.208 1.00 71.32 H new ATOM 0 HE ARG B 104 1.114 11.460 -7.631 1.00 43.44 H new ATOM 0 HH11 ARG B 104 1.845 14.182 -5.444 1.00 22.31 H new ATOM 0 HH12 ARG B 104 0.919 15.333 -6.412 1.00 22.31 H new ATOM 0 HH21 ARG B 104 -0.025 12.985 -8.844 1.00 73.42 H new ATOM 0 HH22 ARG B 104 -0.122 14.665 -8.305 1.00 73.42 H new ATOM 1804 N GLY B 105 1.950 7.417 -2.616 1.00 35.53 N ATOM 1805 CA GLY B 105 1.658 6.050 -2.975 1.00 74.54 C ATOM 1806 C GLY B 105 0.504 5.504 -2.169 1.00 5.40 C ATOM 1807 O GLY B 105 -0.339 4.813 -2.719 1.00 31.12 O ATOM 0 H GLY B 105 2.836 7.532 -2.124 1.00 35.53 H new ATOM 0 HA2 GLY B 105 1.421 5.994 -4.037 1.00 74.54 H new ATOM 0 HA3 GLY B 105 2.542 5.433 -2.813 1.00 74.54 H new ATOM 1811 N ILE B 106 0.479 5.807 -0.852 1.00 64.34 N ATOM 1812 CA ILE B 106 -0.647 5.454 0.033 1.00 65.43 C ATOM 1813 C ILE B 106 -1.928 6.213 -0.387 1.00 33.03 C ATOM 1814 O ILE B 106 -3.022 5.650 -0.340 1.00 53.45 O ATOM 1815 CB ILE B 106 -0.295 5.690 1.574 1.00 53.41 C ATOM 1816 CG1 ILE B 106 0.405 4.441 2.210 1.00 33.50 C ATOM 1817 CG2 ILE B 106 -1.526 6.083 2.432 1.00 21.04 C ATOM 1818 CD1 ILE B 106 1.772 4.096 1.684 1.00 74.12 C ATOM 0 H ILE B 106 1.235 6.300 -0.378 1.00 64.34 H new ATOM 0 HA ILE B 106 -0.836 4.387 -0.080 1.00 65.43 H new ATOM 0 HB ILE B 106 0.396 6.533 1.580 1.00 53.41 H new ATOM 0 HG12 ILE B 106 0.485 4.605 3.285 1.00 33.50 H new ATOM 0 HG13 ILE B 106 -0.244 3.577 2.067 1.00 33.50 H new ATOM 0 HG21 ILE B 106 -1.217 6.228 3.467 1.00 21.04 H new ATOM 0 HG22 ILE B 106 -1.956 7.008 2.049 1.00 21.04 H new ATOM 0 HG23 ILE B 106 -2.271 5.289 2.384 1.00 21.04 H new ATOM 0 HD11 ILE B 106 2.150 3.215 2.202 1.00 74.12 H new ATOM 0 HD12 ILE B 106 1.709 3.889 0.616 1.00 74.12 H new ATOM 0 HD13 ILE B 106 2.449 4.934 1.852 1.00 74.12 H new ATOM 1830 N ILE B 107 -1.780 7.485 -0.806 1.00 12.32 N ATOM 1831 CA ILE B 107 -2.912 8.303 -1.307 1.00 72.42 C ATOM 1832 C ILE B 107 -3.508 7.653 -2.575 1.00 53.31 C ATOM 1833 O ILE B 107 -4.726 7.464 -2.685 1.00 13.35 O ATOM 1834 CB ILE B 107 -2.459 9.788 -1.612 1.00 61.21 C ATOM 1835 CG1 ILE B 107 -1.939 10.481 -0.312 1.00 70.50 C ATOM 1836 CG2 ILE B 107 -3.601 10.612 -2.260 1.00 23.23 C ATOM 1837 CD1 ILE B 107 -1.413 11.898 -0.506 1.00 40.11 C ATOM 0 H ILE B 107 -0.885 7.974 -0.809 1.00 12.32 H new ATOM 0 HA ILE B 107 -3.675 8.342 -0.529 1.00 72.42 H new ATOM 0 HB ILE B 107 -1.641 9.745 -2.331 1.00 61.21 H new ATOM 0 HG12 ILE B 107 -2.749 10.506 0.417 1.00 70.50 H new ATOM 0 HG13 ILE B 107 -1.144 9.869 0.115 1.00 70.50 H new ATOM 0 HG21 ILE B 107 -3.253 11.626 -2.455 1.00 23.23 H new ATOM 0 HG22 ILE B 107 -3.900 10.144 -3.198 1.00 23.23 H new ATOM 0 HG23 ILE B 107 -4.455 10.645 -1.583 1.00 23.23 H new ATOM 0 HD11 ILE B 107 -1.075 12.295 0.451 1.00 40.11 H new ATOM 0 HD12 ILE B 107 -0.579 11.884 -1.208 1.00 40.11 H new ATOM 0 HD13 ILE B 107 -2.208 12.530 -0.901 1.00 40.11 H new ATOM 1849 N HIS B 108 -2.612 7.263 -3.493 1.00 1.45 N ATOM 1850 CA HIS B 108 -2.974 6.654 -4.782 1.00 44.51 C ATOM 1851 C HIS B 108 -3.589 5.266 -4.573 1.00 71.13 C ATOM 1852 O HIS B 108 -4.599 4.930 -5.190 1.00 22.14 O ATOM 1853 CB HIS B 108 -1.722 6.559 -5.696 1.00 52.51 C ATOM 1854 CG HIS B 108 -1.991 5.999 -7.075 1.00 4.42 C ATOM 1855 ND1 HIS B 108 -1.128 5.144 -7.722 1.00 75.42 N ATOM 1856 CD2 HIS B 108 -3.015 6.214 -7.942 1.00 33.13 C ATOM 1857 CE1 HIS B 108 -1.607 4.864 -8.915 1.00 4.31 C ATOM 1858 NE2 HIS B 108 -2.746 5.495 -9.072 1.00 42.22 N ATOM 0 H HIS B 108 -1.606 7.362 -3.361 1.00 1.45 H new ATOM 0 HA HIS B 108 -3.718 7.286 -5.267 1.00 44.51 H new ATOM 0 HB2 HIS B 108 -1.288 7.553 -5.800 1.00 52.51 H new ATOM 0 HB3 HIS B 108 -0.976 5.935 -5.204 1.00 52.51 H new ATOM 0 HD2 HIS B 108 -3.880 6.837 -7.770 1.00 33.13 H new ATOM 0 HE1 HIS B 108 -1.139 4.220 -9.645 1.00 4.31 H new ATOM 0 HE2 HIS B 108 -3.336 5.455 -9.903 1.00 42.22 H new ATOM 1867 N ALA B 109 -2.969 4.484 -3.682 1.00 53.50 N ATOM 1868 CA ALA B 109 -3.374 3.110 -3.402 1.00 35.12 C ATOM 1869 C ALA B 109 -4.754 3.079 -2.743 1.00 51.43 C ATOM 1870 O ALA B 109 -5.602 2.314 -3.163 1.00 43.21 O ATOM 1871 CB ALA B 109 -2.323 2.405 -2.537 1.00 22.42 C ATOM 0 H ALA B 109 -2.167 4.793 -3.133 1.00 53.50 H new ATOM 0 HA ALA B 109 -3.446 2.568 -4.345 1.00 35.12 H new ATOM 0 HB1 ALA B 109 -2.642 1.382 -2.338 1.00 22.42 H new ATOM 0 HB2 ALA B 109 -1.368 2.392 -3.063 1.00 22.42 H new ATOM 0 HB3 ALA B 109 -2.210 2.939 -1.594 1.00 22.42 H new ATOM 1877 N ARG B 110 -4.979 3.982 -1.769 1.00 60.44 N ATOM 1878 CA ARG B 110 -6.260 4.092 -1.033 1.00 0.41 C ATOM 1879 C ARG B 110 -7.400 4.488 -1.984 1.00 64.35 C ATOM 1880 O ARG B 110 -8.543 4.055 -1.811 1.00 13.21 O ATOM 1881 CB ARG B 110 -6.129 5.131 0.115 1.00 2.41 C ATOM 1882 CG ARG B 110 -7.383 5.290 1.010 1.00 50.31 C ATOM 1883 CD ARG B 110 -7.200 6.377 2.080 1.00 31.20 C ATOM 1884 NE ARG B 110 -8.371 6.507 2.966 1.00 25.43 N ATOM 1885 CZ ARG B 110 -8.465 7.353 4.010 1.00 10.50 C ATOM 1886 NH1 ARG B 110 -7.453 8.156 4.337 1.00 12.41 N ATOM 1887 NH2 ARG B 110 -9.581 7.373 4.732 1.00 65.21 N ATOM 0 H ARG B 110 -4.278 4.659 -1.467 1.00 60.44 H new ATOM 0 HA ARG B 110 -6.496 3.119 -0.603 1.00 0.41 H new ATOM 0 HB2 ARG B 110 -5.287 4.847 0.746 1.00 2.41 H new ATOM 0 HB3 ARG B 110 -5.888 6.101 -0.321 1.00 2.41 H new ATOM 0 HG2 ARG B 110 -8.243 5.537 0.387 1.00 50.31 H new ATOM 0 HG3 ARG B 110 -7.604 4.339 1.495 1.00 50.31 H new ATOM 0 HD2 ARG B 110 -6.320 6.146 2.680 1.00 31.20 H new ATOM 0 HD3 ARG B 110 -7.011 7.333 1.592 1.00 31.20 H new ATOM 0 HE ARG B 110 -9.174 5.909 2.773 1.00 25.43 H new ATOM 0 HH11 ARG B 110 -6.590 8.136 3.794 1.00 12.41 H new ATOM 0 HH12 ARG B 110 -7.541 8.790 5.131 1.00 12.41 H new ATOM 0 HH21 ARG B 110 -10.354 6.752 4.493 1.00 65.21 H new ATOM 0 HH22 ARG B 110 -9.664 8.009 5.525 1.00 65.21 H new ATOM 1901 N ALA B 111 -7.051 5.301 -3.000 1.00 75.02 N ATOM 1902 CA ALA B 111 -7.992 5.747 -4.028 1.00 25.21 C ATOM 1903 C ALA B 111 -8.421 4.559 -4.902 1.00 70.42 C ATOM 1904 O ALA B 111 -9.609 4.373 -5.153 1.00 25.04 O ATOM 1905 CB ALA B 111 -7.357 6.858 -4.880 1.00 22.24 C ATOM 0 H ALA B 111 -6.106 5.664 -3.125 1.00 75.02 H new ATOM 0 HA ALA B 111 -8.881 6.154 -3.546 1.00 25.21 H new ATOM 0 HB1 ALA B 111 -8.066 7.182 -5.642 1.00 22.24 H new ATOM 0 HB2 ALA B 111 -7.098 7.703 -4.242 1.00 22.24 H new ATOM 0 HB3 ALA B 111 -6.456 6.477 -5.361 1.00 22.24 H new ATOM 1911 N LEU B 112 -7.432 3.738 -5.306 1.00 63.54 N ATOM 1912 CA LEU B 112 -7.653 2.558 -6.169 1.00 13.11 C ATOM 1913 C LEU B 112 -8.440 1.462 -5.430 1.00 54.31 C ATOM 1914 O LEU B 112 -9.287 0.791 -6.028 1.00 50.15 O ATOM 1915 CB LEU B 112 -6.298 1.999 -6.663 1.00 73.12 C ATOM 1916 CG LEU B 112 -5.470 2.944 -7.580 1.00 14.20 C ATOM 1917 CD1 LEU B 112 -4.076 2.361 -7.848 1.00 14.54 C ATOM 1918 CD2 LEU B 112 -6.216 3.252 -8.897 1.00 52.13 C ATOM 0 H LEU B 112 -6.456 3.873 -5.044 1.00 63.54 H new ATOM 0 HA LEU B 112 -8.245 2.876 -7.027 1.00 13.11 H new ATOM 0 HB2 LEU B 112 -5.692 1.745 -5.793 1.00 73.12 H new ATOM 0 HB3 LEU B 112 -6.485 1.071 -7.203 1.00 73.12 H new ATOM 0 HG LEU B 112 -5.342 3.890 -7.054 1.00 14.20 H new ATOM 0 HD11 LEU B 112 -3.516 3.039 -8.491 1.00 14.54 H new ATOM 0 HD12 LEU B 112 -3.546 2.236 -6.904 1.00 14.54 H new ATOM 0 HD13 LEU B 112 -4.175 1.393 -8.340 1.00 14.54 H new ATOM 0 HD21 LEU B 112 -5.608 3.915 -9.513 1.00 52.13 H new ATOM 0 HD22 LEU B 112 -6.401 2.323 -9.436 1.00 52.13 H new ATOM 0 HD23 LEU B 112 -7.166 3.736 -8.672 1.00 52.13 H new ATOM 1930 N VAL B 113 -8.139 1.294 -4.124 1.00 43.23 N ATOM 1931 CA VAL B 113 -8.853 0.371 -3.228 1.00 31.22 C ATOM 1932 C VAL B 113 -10.315 0.829 -3.067 1.00 34.51 C ATOM 1933 O VAL B 113 -11.229 0.011 -3.096 1.00 74.02 O ATOM 1934 CB VAL B 113 -8.159 0.277 -1.809 1.00 2.41 C ATOM 1935 CG1 VAL B 113 -8.964 -0.611 -0.844 1.00 32.22 C ATOM 1936 CG2 VAL B 113 -6.713 -0.252 -1.916 1.00 61.41 C ATOM 0 H VAL B 113 -7.385 1.803 -3.662 1.00 43.23 H new ATOM 0 HA VAL B 113 -8.824 -0.621 -3.678 1.00 31.22 H new ATOM 0 HB VAL B 113 -8.130 1.291 -1.410 1.00 2.41 H new ATOM 0 HG11 VAL B 113 -8.458 -0.653 0.120 1.00 32.22 H new ATOM 0 HG12 VAL B 113 -9.962 -0.193 -0.712 1.00 32.22 H new ATOM 0 HG13 VAL B 113 -9.043 -1.617 -1.256 1.00 32.22 H new ATOM 0 HG21 VAL B 113 -6.270 -0.303 -0.922 1.00 61.41 H new ATOM 0 HG22 VAL B 113 -6.722 -1.247 -2.360 1.00 61.41 H new ATOM 0 HG23 VAL B 113 -6.125 0.420 -2.542 1.00 61.41 H new ATOM 1946 N ARG B 114 -10.512 2.158 -2.933 1.00 0.44 N ATOM 1947 CA ARG B 114 -11.844 2.764 -2.759 1.00 54.42 C ATOM 1948 C ARG B 114 -12.699 2.606 -4.030 1.00 20.24 C ATOM 1949 O ARG B 114 -13.904 2.344 -3.945 1.00 34.42 O ATOM 1950 CB ARG B 114 -11.728 4.253 -2.360 1.00 44.23 C ATOM 1951 CG ARG B 114 -13.086 4.979 -2.171 1.00 65.31 C ATOM 1952 CD ARG B 114 -12.920 6.450 -1.769 1.00 24.30 C ATOM 1953 NE ARG B 114 -12.167 6.593 -0.504 1.00 71.00 N ATOM 1954 CZ ARG B 114 -11.097 7.385 -0.316 1.00 54.44 C ATOM 1955 NH1 ARG B 114 -10.622 8.149 -1.302 1.00 22.03 N ATOM 1956 NH2 ARG B 114 -10.500 7.399 0.864 1.00 2.21 N ATOM 0 H ARG B 114 -9.752 2.838 -2.943 1.00 0.44 H new ATOM 0 HA ARG B 114 -12.345 2.233 -1.949 1.00 54.42 H new ATOM 0 HB2 ARG B 114 -11.161 4.324 -1.432 1.00 44.23 H new ATOM 0 HB3 ARG B 114 -11.154 4.777 -3.125 1.00 44.23 H new ATOM 0 HG2 ARG B 114 -13.656 4.922 -3.098 1.00 65.31 H new ATOM 0 HG3 ARG B 114 -13.667 4.461 -1.408 1.00 65.31 H new ATOM 0 HD2 ARG B 114 -12.402 6.987 -2.563 1.00 24.30 H new ATOM 0 HD3 ARG B 114 -13.902 6.910 -1.661 1.00 24.30 H new ATOM 0 HE ARG B 114 -12.487 6.044 0.294 1.00 71.00 H new ATOM 0 HH11 ARG B 114 -11.072 8.138 -2.217 1.00 22.03 H new ATOM 0 HH12 ARG B 114 -9.809 8.743 -1.140 1.00 22.03 H new ATOM 0 HH21 ARG B 114 -10.852 6.813 1.621 1.00 2.21 H new ATOM 0 HH22 ARG B 114 -9.687 7.996 1.017 1.00 2.21 H new ATOM 1970 N GLU B 115 -12.068 2.749 -5.210 1.00 35.24 N ATOM 1971 CA GLU B 115 -12.747 2.527 -6.500 1.00 20.33 C ATOM 1972 C GLU B 115 -13.071 1.036 -6.669 1.00 74.03 C ATOM 1973 O GLU B 115 -14.116 0.664 -7.202 1.00 43.21 O ATOM 1974 CB GLU B 115 -11.880 3.028 -7.687 1.00 14.31 C ATOM 1975 CG GLU B 115 -11.566 4.542 -7.668 1.00 52.51 C ATOM 1976 CD GLU B 115 -12.821 5.437 -7.613 1.00 70.11 C ATOM 1977 OE1 GLU B 115 -13.458 5.655 -8.661 1.00 73.43 O ATOM 1978 OE2 GLU B 115 -13.192 5.910 -6.518 1.00 33.41 O ATOM 0 H GLU B 115 -11.088 3.018 -5.297 1.00 35.24 H new ATOM 0 HA GLU B 115 -13.675 3.099 -6.500 1.00 20.33 H new ATOM 0 HB2 GLU B 115 -10.940 2.476 -7.690 1.00 14.31 H new ATOM 0 HB3 GLU B 115 -12.393 2.789 -8.619 1.00 14.31 H new ATOM 0 HG2 GLU B 115 -10.936 4.762 -6.806 1.00 52.51 H new ATOM 0 HG3 GLU B 115 -10.989 4.795 -8.558 1.00 52.51 H new ATOM 1985 N CYS B 116 -12.155 0.189 -6.184 1.00 24.03 N ATOM 1986 CA CYS B 116 -12.312 -1.263 -6.233 1.00 11.41 C ATOM 1987 C CYS B 116 -13.317 -1.763 -5.177 1.00 12.53 C ATOM 1988 O CYS B 116 -13.816 -2.872 -5.303 1.00 42.52 O ATOM 1989 CB CYS B 116 -10.961 -1.962 -6.086 1.00 62.22 C ATOM 1990 SG CYS B 116 -11.059 -3.763 -6.201 1.00 14.22 S ATOM 0 H CYS B 116 -11.285 0.495 -5.747 1.00 24.03 H new ATOM 0 HA CYS B 116 -12.719 -1.517 -7.211 1.00 11.41 H new ATOM 0 HB2 CYS B 116 -10.285 -1.594 -6.858 1.00 62.22 H new ATOM 0 HB3 CYS B 116 -10.524 -1.691 -5.125 1.00 62.22 H new ATOM 0 HG CYS B 116 -12.276 -4.148 -5.954 1.00 14.22 H new ATOM 1996 N LEU B 117 -13.601 -0.949 -4.129 1.00 70.24 N ATOM 1997 CA LEU B 117 -14.704 -1.245 -3.177 1.00 4.24 C ATOM 1998 C LEU B 117 -16.034 -1.400 -3.949 1.00 42.55 C ATOM 1999 O LEU B 117 -16.845 -2.251 -3.614 1.00 51.31 O ATOM 2000 CB LEU B 117 -14.865 -0.134 -2.090 1.00 2.12 C ATOM 2001 CG LEU B 117 -13.754 -0.031 -1.000 1.00 24.10 C ATOM 2002 CD1 LEU B 117 -13.977 1.195 -0.103 1.00 1.24 C ATOM 2003 CD2 LEU B 117 -13.678 -1.299 -0.141 1.00 50.53 C ATOM 0 H LEU B 117 -13.088 -0.092 -3.922 1.00 70.24 H new ATOM 0 HA LEU B 117 -14.450 -2.174 -2.667 1.00 4.24 H new ATOM 0 HB2 LEU B 117 -14.929 0.828 -2.598 1.00 2.12 H new ATOM 0 HB3 LEU B 117 -15.818 -0.292 -1.586 1.00 2.12 H new ATOM 0 HG LEU B 117 -12.804 0.080 -1.524 1.00 24.10 H new ATOM 0 HD11 LEU B 117 -13.189 1.244 0.649 1.00 1.24 H new ATOM 0 HD12 LEU B 117 -13.955 2.099 -0.711 1.00 1.24 H new ATOM 0 HD13 LEU B 117 -14.945 1.113 0.391 1.00 1.24 H new ATOM 0 HD21 LEU B 117 -12.892 -1.186 0.606 1.00 50.53 H new ATOM 0 HD22 LEU B 117 -14.633 -1.457 0.359 1.00 50.53 H new ATOM 0 HD23 LEU B 117 -13.455 -2.156 -0.776 1.00 50.53 H new