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 -162:sc= -1.91 (180deg=-2.63!) USER MOD Set 1.2: B 84 MET CE :methyl 171:sc= -2.87! (180deg=-3.09!) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.184 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= -0.0129 (180deg=-0.905) USER MOD Single : A 91 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.7 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0232 (180deg=-0.257) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -154:sc= -0.187 (180deg=-0.82) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.094) USER MOD Single : B 75 THR OG1 : rot 26:sc= 0.118 USER MOD Single : B 79 SER OG : rot 69:sc= 0.974 USER MOD Single : B 86 LYS NZ :NH3+ 177:sc= 0.572 (180deg=0.56) USER MOD Single : B 91 THR OG1 : rot 88:sc= 0.94 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.628 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 -154:sc= -0.237 (180deg=-0.991) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.0445 K(o=-0.045,f=-0.93) USER MOD Single : B 116 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -11.474 -4.974 2.050 1.00 30.24 N ATOM 242 CA THR A 75 -11.677 -3.814 2.934 1.00 51.22 C ATOM 243 C THR A 75 -10.493 -3.667 3.914 1.00 62.31 C ATOM 244 O THR A 75 -10.082 -2.552 4.218 1.00 54.21 O ATOM 245 CB THR A 75 -13.029 -3.940 3.701 1.00 13.51 C ATOM 246 OG1 THR A 75 -14.075 -4.196 2.755 1.00 63.34 O ATOM 247 CG2 THR A 75 -13.369 -2.669 4.507 1.00 60.35 C ATOM 0 HA THR A 75 -11.721 -2.914 2.321 1.00 51.22 H new ATOM 0 HB THR A 75 -12.935 -4.760 4.412 1.00 13.51 H new ATOM 0 HG1 THR A 75 -13.751 -4.817 2.069 1.00 63.34 H new ATOM 0 HG21 THR A 75 -14.319 -2.808 5.022 1.00 60.35 H new ATOM 0 HG22 THR A 75 -12.583 -2.481 5.239 1.00 60.35 H new ATOM 0 HG23 THR A 75 -13.445 -1.818 3.830 1.00 60.35 H new ATOM 255 N ASP A 76 -9.952 -4.810 4.383 1.00 52.31 N ATOM 256 CA ASP A 76 -8.723 -4.862 5.214 1.00 44.41 C ATOM 257 C ASP A 76 -7.562 -4.161 4.514 1.00 44.31 C ATOM 258 O ASP A 76 -6.736 -3.546 5.171 1.00 52.52 O ATOM 259 CB ASP A 76 -8.282 -6.318 5.566 1.00 70.50 C ATOM 260 CG ASP A 76 -9.231 -7.073 6.512 1.00 35.04 C ATOM 261 OD1 ASP A 76 -9.966 -6.431 7.293 1.00 21.24 O ATOM 262 OD2 ASP A 76 -9.217 -8.315 6.505 1.00 11.14 O ATOM 0 H ASP A 76 -10.354 -5.729 4.197 1.00 52.31 H new ATOM 0 HA ASP A 76 -8.975 -4.349 6.142 1.00 44.41 H new ATOM 0 HB2 ASP A 76 -8.187 -6.887 4.641 1.00 70.50 H new ATOM 0 HB3 ASP A 76 -7.292 -6.282 6.021 1.00 70.50 H new ATOM 267 N LEU A 77 -7.528 -4.270 3.164 1.00 63.25 N ATOM 268 CA LEU A 77 -6.530 -3.596 2.319 1.00 1.51 C ATOM 269 C LEU A 77 -6.585 -2.068 2.505 1.00 10.25 C ATOM 270 O LEU A 77 -5.546 -1.437 2.607 1.00 64.22 O ATOM 271 CB LEU A 77 -6.744 -3.975 0.837 1.00 34.12 C ATOM 272 CG LEU A 77 -5.800 -3.291 -0.198 1.00 74.50 C ATOM 273 CD1 LEU A 77 -4.325 -3.604 0.086 1.00 10.22 C ATOM 274 CD2 LEU A 77 -6.185 -3.686 -1.626 1.00 20.25 C ATOM 0 H LEU A 77 -8.196 -4.831 2.635 1.00 63.25 H new ATOM 0 HA LEU A 77 -5.539 -3.931 2.626 1.00 1.51 H new ATOM 0 HB2 LEU A 77 -6.631 -5.055 0.741 1.00 34.12 H new ATOM 0 HB3 LEU A 77 -7.774 -3.738 0.569 1.00 34.12 H new ATOM 0 HG LEU A 77 -5.925 -2.213 -0.098 1.00 74.50 H new ATOM 0 HD11 LEU A 77 -3.699 -3.110 -0.657 1.00 10.22 H new ATOM 0 HD12 LEU A 77 -4.062 -3.244 1.081 1.00 10.22 H new ATOM 0 HD13 LEU A 77 -4.165 -4.681 0.036 1.00 10.22 H new ATOM 0 HD21 LEU A 77 -5.514 -3.198 -2.332 1.00 20.25 H new ATOM 0 HD22 LEU A 77 -6.106 -4.767 -1.738 1.00 20.25 H new ATOM 0 HD23 LEU A 77 -7.210 -3.375 -1.826 1.00 20.25 H new ATOM 286 N LEU A 78 -7.812 -1.504 2.590 1.00 3.23 N ATOM 287 CA LEU A 78 -8.029 -0.058 2.849 1.00 73.30 C ATOM 288 C LEU A 78 -7.363 0.348 4.187 1.00 35.33 C ATOM 289 O LEU A 78 -6.703 1.390 4.274 1.00 20.04 O ATOM 290 CB LEU A 78 -9.553 0.260 2.872 1.00 70.41 C ATOM 291 CG LEU A 78 -9.948 1.772 2.893 1.00 2.53 C ATOM 292 CD1 LEU A 78 -9.564 2.474 1.569 1.00 31.54 C ATOM 293 CD2 LEU A 78 -11.445 1.957 3.221 1.00 50.21 C ATOM 0 H LEU A 78 -8.677 -2.034 2.482 1.00 3.23 H new ATOM 0 HA LEU A 78 -7.570 0.520 2.047 1.00 73.30 H new ATOM 0 HB2 LEU A 78 -10.011 -0.200 1.997 1.00 70.41 H new ATOM 0 HB3 LEU A 78 -9.989 -0.219 3.749 1.00 70.41 H new ATOM 0 HG LEU A 78 -9.379 2.250 3.690 1.00 2.53 H new ATOM 0 HD11 LEU A 78 -9.853 3.524 1.617 1.00 31.54 H new ATOM 0 HD12 LEU A 78 -8.487 2.400 1.417 1.00 31.54 H new ATOM 0 HD13 LEU A 78 -10.081 1.993 0.739 1.00 31.54 H new ATOM 0 HD21 LEU A 78 -11.687 3.020 3.228 1.00 50.21 H new ATOM 0 HD22 LEU A 78 -12.048 1.452 2.466 1.00 50.21 H new ATOM 0 HD23 LEU A 78 -11.658 1.530 4.201 1.00 50.21 H new ATOM 305 N SER A 79 -7.493 -0.540 5.202 1.00 54.35 N ATOM 306 CA SER A 79 -6.838 -0.368 6.511 1.00 22.01 C ATOM 307 C SER A 79 -5.302 -0.474 6.391 1.00 10.24 C ATOM 308 O SER A 79 -4.595 0.349 6.958 1.00 41.13 O ATOM 309 CB SER A 79 -7.362 -1.400 7.529 1.00 23.12 C ATOM 310 OG SER A 79 -8.748 -1.243 7.750 1.00 33.30 O ATOM 0 H SER A 79 -8.053 -1.390 5.132 1.00 54.35 H new ATOM 0 HA SER A 79 -7.084 0.632 6.868 1.00 22.01 H new ATOM 0 HB2 SER A 79 -7.161 -2.408 7.165 1.00 23.12 H new ATOM 0 HB3 SER A 79 -6.826 -1.289 8.472 1.00 23.12 H new ATOM 0 HG SER A 79 -9.054 -1.911 8.398 1.00 33.30 H new ATOM 316 N VAL A 80 -4.812 -1.454 5.594 1.00 41.11 N ATOM 317 CA VAL A 80 -3.363 -1.688 5.397 1.00 11.35 C ATOM 318 C VAL A 80 -2.691 -0.408 4.871 1.00 71.22 C ATOM 319 O VAL A 80 -1.676 0.029 5.413 1.00 63.03 O ATOM 320 CB VAL A 80 -3.078 -2.878 4.389 1.00 15.33 C ATOM 321 CG1 VAL A 80 -1.568 -3.061 4.130 1.00 33.22 C ATOM 322 CG2 VAL A 80 -3.690 -4.209 4.874 1.00 63.43 C ATOM 0 H VAL A 80 -5.406 -2.100 5.074 1.00 41.11 H new ATOM 0 HA VAL A 80 -2.948 -1.963 6.367 1.00 11.35 H new ATOM 0 HB VAL A 80 -3.560 -2.602 3.451 1.00 15.33 H new ATOM 0 HG11 VAL A 80 -1.416 -3.886 3.434 1.00 33.22 H new ATOM 0 HG12 VAL A 80 -1.159 -2.146 3.703 1.00 33.22 H new ATOM 0 HG13 VAL A 80 -1.062 -3.281 5.070 1.00 33.22 H new ATOM 0 HG21 VAL A 80 -3.469 -4.995 4.152 1.00 63.43 H new ATOM 0 HG22 VAL A 80 -3.263 -4.474 5.841 1.00 63.43 H new ATOM 0 HG23 VAL A 80 -4.770 -4.099 4.972 1.00 63.43 H new ATOM 332 N ILE A 81 -3.321 0.195 3.844 1.00 70.11 N ATOM 333 CA ILE A 81 -2.822 1.405 3.171 1.00 65.43 C ATOM 334 C ILE A 81 -2.619 2.569 4.168 1.00 12.32 C ATOM 335 O ILE A 81 -1.539 3.165 4.218 1.00 54.52 O ATOM 336 CB ILE A 81 -3.774 1.842 1.984 1.00 33.52 C ATOM 337 CG1 ILE A 81 -3.979 0.680 0.951 1.00 41.44 C ATOM 338 CG2 ILE A 81 -3.244 3.101 1.275 1.00 12.04 C ATOM 339 CD1 ILE A 81 -2.703 0.062 0.383 1.00 52.30 C ATOM 0 H ILE A 81 -4.199 -0.150 3.456 1.00 70.11 H new ATOM 0 HA ILE A 81 -1.849 1.156 2.747 1.00 65.43 H new ATOM 0 HB ILE A 81 -4.743 2.079 2.423 1.00 33.52 H new ATOM 0 HG12 ILE A 81 -4.560 -0.108 1.430 1.00 41.44 H new ATOM 0 HG13 ILE A 81 -4.577 1.058 0.122 1.00 41.44 H new ATOM 0 HG21 ILE A 81 -3.920 3.375 0.465 1.00 12.04 H new ATOM 0 HG22 ILE A 81 -3.182 3.922 1.989 1.00 12.04 H new ATOM 0 HG23 ILE A 81 -2.253 2.899 0.868 1.00 12.04 H new ATOM 0 HD11 ILE A 81 -2.964 -0.730 -0.319 1.00 52.30 H new ATOM 0 HD12 ILE A 81 -2.126 0.829 -0.133 1.00 52.30 H new ATOM 0 HD13 ILE A 81 -2.108 -0.355 1.195 1.00 52.30 H new ATOM 351 N GLU A 82 -3.641 2.841 5.005 1.00 12.53 N ATOM 352 CA GLU A 82 -3.603 3.976 5.959 1.00 2.54 C ATOM 353 C GLU A 82 -2.664 3.695 7.163 1.00 32.22 C ATOM 354 O GLU A 82 -2.051 4.628 7.700 1.00 60.42 O ATOM 355 CB GLU A 82 -5.030 4.341 6.453 1.00 0.03 C ATOM 356 CG GLU A 82 -5.707 3.269 7.334 1.00 60.01 C ATOM 357 CD GLU A 82 -7.128 3.650 7.779 1.00 1.00 C ATOM 358 OE1 GLU A 82 -7.268 4.573 8.606 1.00 75.12 O ATOM 359 OE2 GLU A 82 -8.110 3.031 7.310 1.00 73.23 O ATOM 0 H GLU A 82 -4.501 2.294 5.042 1.00 12.53 H new ATOM 0 HA GLU A 82 -3.196 4.830 5.418 1.00 2.54 H new ATOM 0 HB2 GLU A 82 -4.976 5.273 7.016 1.00 0.03 H new ATOM 0 HB3 GLU A 82 -5.662 4.529 5.585 1.00 0.03 H new ATOM 0 HG2 GLU A 82 -5.747 2.329 6.783 1.00 60.01 H new ATOM 0 HG3 GLU A 82 -5.093 3.095 8.217 1.00 60.01 H new ATOM 366 N GLU A 83 -2.544 2.401 7.562 1.00 53.51 N ATOM 367 CA GLU A 83 -1.664 1.975 8.684 1.00 34.41 C ATOM 368 C GLU A 83 -0.192 2.131 8.294 1.00 30.11 C ATOM 369 O GLU A 83 0.635 2.572 9.100 1.00 44.24 O ATOM 370 CB GLU A 83 -1.963 0.516 9.117 1.00 33.34 C ATOM 371 CG GLU A 83 -3.342 0.336 9.773 1.00 54.44 C ATOM 372 CD GLU A 83 -3.628 -1.111 10.200 1.00 11.22 C ATOM 373 OE1 GLU A 83 -3.281 -1.488 11.342 1.00 71.13 O ATOM 374 OE2 GLU A 83 -4.190 -1.889 9.395 1.00 61.55 O ATOM 0 H GLU A 83 -3.048 1.632 7.121 1.00 53.51 H new ATOM 0 HA GLU A 83 -1.872 2.621 9.537 1.00 34.41 H new ATOM 0 HB2 GLU A 83 -1.898 -0.133 8.244 1.00 33.34 H new ATOM 0 HB3 GLU A 83 -1.193 0.189 9.815 1.00 33.34 H new ATOM 0 HG2 GLU A 83 -3.409 0.985 10.646 1.00 54.44 H new ATOM 0 HG3 GLU A 83 -4.114 0.661 9.075 1.00 54.44 H new ATOM 381 N MET A 84 0.110 1.774 7.043 1.00 14.43 N ATOM 382 CA MET A 84 1.415 2.025 6.427 1.00 13.22 C ATOM 383 C MET A 84 1.654 3.533 6.290 1.00 3.54 C ATOM 384 O MET A 84 2.751 4.015 6.569 1.00 71.13 O ATOM 385 CB MET A 84 1.487 1.323 5.044 1.00 61.12 C ATOM 386 CG MET A 84 1.474 -0.210 5.124 1.00 22.04 C ATOM 387 SD MET A 84 1.714 -1.002 3.529 1.00 70.01 S ATOM 388 CE MET A 84 0.407 -0.292 2.531 1.00 62.41 C ATOM 0 H MET A 84 -0.549 1.300 6.425 1.00 14.43 H new ATOM 0 HA MET A 84 2.199 1.615 7.064 1.00 13.22 H new ATOM 0 HB2 MET A 84 0.645 1.653 4.436 1.00 61.12 H new ATOM 0 HB3 MET A 84 2.394 1.643 4.532 1.00 61.12 H new ATOM 0 HG2 MET A 84 2.257 -0.539 5.807 1.00 22.04 H new ATOM 0 HG3 MET A 84 0.524 -0.538 5.546 1.00 22.04 H new ATOM 0 HE1 MET A 84 0.243 -0.913 1.650 1.00 62.41 H new ATOM 0 HE2 MET A 84 -0.511 -0.243 3.116 1.00 62.41 H new ATOM 0 HE3 MET A 84 0.693 0.712 2.219 1.00 62.41 H new ATOM 398 N GLY A 85 0.574 4.247 5.917 1.00 52.43 N ATOM 399 CA GLY A 85 0.595 5.686 5.662 1.00 24.34 C ATOM 400 C GLY A 85 1.059 6.524 6.841 1.00 23.41 C ATOM 401 O GLY A 85 1.817 7.484 6.666 1.00 41.12 O ATOM 0 H GLY A 85 -0.346 3.827 5.785 1.00 52.43 H new ATOM 0 HA2 GLY A 85 1.248 5.883 4.812 1.00 24.34 H new ATOM 0 HA3 GLY A 85 -0.406 6.007 5.375 1.00 24.34 H new ATOM 405 N LYS A 86 0.647 6.135 8.057 1.00 14.22 N ATOM 406 CA LYS A 86 1.032 6.853 9.286 1.00 63.42 C ATOM 407 C LYS A 86 2.444 6.436 9.731 1.00 4.41 C ATOM 408 O LYS A 86 3.203 7.254 10.262 1.00 43.42 O ATOM 409 CB LYS A 86 -0.010 6.613 10.413 1.00 61.01 C ATOM 410 CG LYS A 86 -0.226 5.138 10.798 1.00 63.32 C ATOM 411 CD LYS A 86 -1.320 4.948 11.874 1.00 33.42 C ATOM 412 CE LYS A 86 -1.501 3.474 12.281 1.00 15.33 C ATOM 413 NZ LYS A 86 -0.255 2.892 12.851 1.00 31.10 N ATOM 0 H LYS A 86 0.046 5.326 8.218 1.00 14.22 H new ATOM 0 HA LYS A 86 1.048 7.922 9.074 1.00 63.42 H new ATOM 0 HB2 LYS A 86 0.305 7.162 11.301 1.00 61.01 H new ATOM 0 HB3 LYS A 86 -0.965 7.034 10.099 1.00 61.01 H new ATOM 0 HG2 LYS A 86 -0.498 4.572 9.907 1.00 63.32 H new ATOM 0 HG3 LYS A 86 0.713 4.723 11.165 1.00 63.32 H new ATOM 0 HD2 LYS A 86 -1.063 5.536 12.755 1.00 33.42 H new ATOM 0 HD3 LYS A 86 -2.266 5.336 11.497 1.00 33.42 H new ATOM 0 HE2 LYS A 86 -2.304 3.397 13.014 1.00 15.33 H new ATOM 0 HE3 LYS A 86 -1.806 2.893 11.411 1.00 15.33 H new ATOM 0 HZ1 LYS A 86 -0.497 2.254 13.636 1.00 31.10 H new ATOM 0 HZ2 LYS A 86 0.248 2.358 12.114 1.00 31.10 H new ATOM 0 HZ3 LYS A 86 0.356 3.657 13.202 1.00 31.10 H new ATOM 427 N GLU A 87 2.815 5.161 9.446 1.00 52.21 N ATOM 428 CA GLU A 87 4.108 4.587 9.858 1.00 33.51 C ATOM 429 C GLU A 87 5.223 4.875 8.831 1.00 24.25 C ATOM 430 O GLU A 87 6.347 4.396 8.990 1.00 45.43 O ATOM 431 CB GLU A 87 3.965 3.071 10.157 1.00 40.52 C ATOM 432 CG GLU A 87 3.018 2.769 11.342 1.00 15.22 C ATOM 433 CD GLU A 87 2.981 1.289 11.753 1.00 34.11 C ATOM 434 OE1 GLU A 87 2.791 0.430 10.876 1.00 3.41 O ATOM 435 OE2 GLU A 87 3.120 0.985 12.962 1.00 12.44 O ATOM 0 H GLU A 87 2.225 4.511 8.927 1.00 52.21 H new ATOM 0 HA GLU A 87 4.411 5.079 10.782 1.00 33.51 H new ATOM 0 HB2 GLU A 87 3.594 2.565 9.266 1.00 40.52 H new ATOM 0 HB3 GLU A 87 4.949 2.656 10.372 1.00 40.52 H new ATOM 0 HG2 GLU A 87 3.326 3.366 12.201 1.00 15.22 H new ATOM 0 HG3 GLU A 87 2.010 3.087 11.078 1.00 15.22 H new ATOM 442 N ILE A 88 4.909 5.684 7.798 1.00 11.52 N ATOM 443 CA ILE A 88 5.917 6.285 6.904 1.00 43.42 C ATOM 444 C ILE A 88 6.836 7.237 7.701 1.00 25.31 C ATOM 445 O ILE A 88 8.052 7.241 7.495 1.00 75.04 O ATOM 446 CB ILE A 88 5.223 7.067 5.728 1.00 14.42 C ATOM 447 CG1 ILE A 88 4.392 6.087 4.851 1.00 1.43 C ATOM 448 CG2 ILE A 88 6.242 7.864 4.869 1.00 34.23 C ATOM 449 CD1 ILE A 88 3.616 6.742 3.731 1.00 22.12 C ATOM 0 H ILE A 88 3.950 5.938 7.561 1.00 11.52 H new ATOM 0 HA ILE A 88 6.519 5.482 6.478 1.00 43.42 H new ATOM 0 HB ILE A 88 4.549 7.801 6.170 1.00 14.42 H new ATOM 0 HG12 ILE A 88 5.065 5.345 4.422 1.00 1.43 H new ATOM 0 HG13 ILE A 88 3.693 5.550 5.493 1.00 1.43 H new ATOM 0 HG21 ILE A 88 5.715 8.386 4.071 1.00 34.23 H new ATOM 0 HG22 ILE A 88 6.759 8.589 5.497 1.00 34.23 H new ATOM 0 HG23 ILE A 88 6.968 7.177 4.435 1.00 34.23 H new ATOM 0 HD11 ILE A 88 3.068 5.981 3.175 1.00 22.12 H new ATOM 0 HD12 ILE A 88 2.913 7.463 4.148 1.00 22.12 H new ATOM 0 HD13 ILE A 88 4.306 7.254 3.061 1.00 22.12 H new ATOM 461 N ARG A 89 6.225 8.029 8.623 1.00 61.52 N ATOM 462 CA ARG A 89 6.951 9.038 9.423 1.00 64.24 C ATOM 463 C ARG A 89 8.046 8.382 10.328 1.00 51.45 C ATOM 464 O ARG A 89 9.217 8.771 10.201 1.00 14.22 O ATOM 465 CB ARG A 89 5.991 9.941 10.260 1.00 12.11 C ATOM 466 CG ARG A 89 4.956 10.732 9.440 1.00 73.22 C ATOM 467 CD ARG A 89 4.138 11.693 10.318 1.00 10.32 C ATOM 468 NE ARG A 89 4.997 12.673 11.014 1.00 33.23 N ATOM 469 CZ ARG A 89 4.652 13.396 12.095 1.00 4.22 C ATOM 470 NH1 ARG A 89 3.445 13.273 12.656 1.00 31.54 N ATOM 471 NH2 ARG A 89 5.540 14.238 12.618 1.00 33.42 N ATOM 0 H ARG A 89 5.227 7.983 8.827 1.00 61.52 H new ATOM 0 HA ARG A 89 7.456 9.689 8.710 1.00 64.24 H new ATOM 0 HB2 ARG A 89 5.461 9.314 10.977 1.00 12.11 H new ATOM 0 HB3 ARG A 89 6.591 10.646 10.836 1.00 12.11 H new ATOM 0 HG2 ARG A 89 5.467 11.298 8.661 1.00 73.22 H new ATOM 0 HG3 ARG A 89 4.283 10.037 8.939 1.00 73.22 H new ATOM 0 HD2 ARG A 89 3.413 12.221 9.699 1.00 10.32 H new ATOM 0 HD3 ARG A 89 3.572 11.120 11.053 1.00 10.32 H new ATOM 0 HE ARG A 89 5.936 12.814 10.642 1.00 33.23 H new ATOM 0 HH11 ARG A 89 2.765 12.621 12.265 1.00 31.54 H new ATOM 0 HH12 ARG A 89 3.204 13.831 13.475 1.00 31.54 H new ATOM 0 HH21 ARG A 89 6.466 14.328 12.199 1.00 33.42 H new ATOM 0 HH22 ARG A 89 5.295 14.794 13.437 1.00 33.42 H new ATOM 485 N PRO A 90 7.712 7.391 11.258 1.00 11.20 N ATOM 486 CA PRO A 90 8.744 6.700 12.082 1.00 74.11 C ATOM 487 C PRO A 90 9.791 5.932 11.240 1.00 42.35 C ATOM 488 O PRO A 90 10.963 5.916 11.609 1.00 72.13 O ATOM 489 CB PRO A 90 7.930 5.761 13.021 1.00 23.10 C ATOM 490 CG PRO A 90 6.588 5.633 12.379 1.00 4.21 C ATOM 491 CD PRO A 90 6.350 6.928 11.641 1.00 20.12 C ATOM 0 HA PRO A 90 9.350 7.415 12.638 1.00 74.11 H new ATOM 0 HB2 PRO A 90 8.413 4.789 13.121 1.00 23.10 H new ATOM 0 HB3 PRO A 90 7.848 6.181 14.024 1.00 23.10 H new ATOM 0 HG2 PRO A 90 6.563 4.785 11.695 1.00 4.21 H new ATOM 0 HG3 PRO A 90 5.813 5.463 13.127 1.00 4.21 H new ATOM 0 HD2 PRO A 90 5.721 6.776 10.764 1.00 20.12 H new ATOM 0 HD3 PRO A 90 5.845 7.659 12.273 1.00 20.12 H new ATOM 499 N THR A 91 9.370 5.312 10.105 1.00 55.33 N ATOM 500 CA THR A 91 10.306 4.663 9.147 1.00 12.32 C ATOM 501 C THR A 91 11.351 5.678 8.638 1.00 33.25 C ATOM 502 O THR A 91 12.563 5.422 8.661 1.00 52.33 O ATOM 503 CB THR A 91 9.533 4.047 7.935 1.00 33.13 C ATOM 504 OG1 THR A 91 8.696 2.989 8.403 1.00 54.02 O ATOM 505 CG2 THR A 91 10.471 3.508 6.831 1.00 71.12 C ATOM 0 H THR A 91 8.389 5.248 9.831 1.00 55.33 H new ATOM 0 HA THR A 91 10.818 3.859 9.676 1.00 12.32 H new ATOM 0 HB THR A 91 8.941 4.846 7.489 1.00 33.13 H new ATOM 0 HG1 THR A 91 7.825 3.353 8.666 1.00 54.02 H new ATOM 0 HG21 THR A 91 9.875 3.094 6.018 1.00 71.12 H new ATOM 0 HG22 THR A 91 11.089 4.321 6.450 1.00 71.12 H new ATOM 0 HG23 THR A 91 11.111 2.729 7.246 1.00 71.12 H new ATOM 513 N TYR A 92 10.839 6.842 8.220 1.00 2.24 N ATOM 514 CA TYR A 92 11.636 7.982 7.760 1.00 73.02 C ATOM 515 C TYR A 92 12.538 8.536 8.888 1.00 3.12 C ATOM 516 O TYR A 92 13.590 9.127 8.621 1.00 4.32 O ATOM 517 CB TYR A 92 10.680 9.082 7.207 1.00 10.01 C ATOM 518 CG TYR A 92 11.400 10.306 6.649 1.00 62.30 C ATOM 519 CD1 TYR A 92 12.276 10.176 5.578 1.00 2.31 C ATOM 520 CD2 TYR A 92 11.253 11.573 7.219 1.00 71.30 C ATOM 521 CE1 TYR A 92 12.962 11.249 5.094 1.00 42.41 C ATOM 522 CE2 TYR A 92 11.959 12.652 6.736 1.00 21.31 C ATOM 523 CZ TYR A 92 12.813 12.483 5.679 1.00 21.25 C ATOM 524 OH TYR A 92 13.554 13.548 5.219 1.00 40.23 O ATOM 0 H TYR A 92 9.835 7.020 8.192 1.00 2.24 H new ATOM 0 HA TYR A 92 12.301 7.651 6.962 1.00 73.02 H new ATOM 0 HB2 TYR A 92 10.060 8.649 6.422 1.00 10.01 H new ATOM 0 HB3 TYR A 92 10.009 9.400 8.005 1.00 10.01 H new ATOM 0 HD1 TYR A 92 12.415 9.207 5.121 1.00 2.31 H new ATOM 0 HD2 TYR A 92 10.576 11.708 8.050 1.00 71.30 H new ATOM 0 HE1 TYR A 92 13.624 11.129 4.249 1.00 42.41 H new ATOM 0 HE2 TYR A 92 11.840 13.626 7.188 1.00 21.31 H new ATOM 0 HH TYR A 92 13.331 14.350 5.737 1.00 40.23 H new ATOM 534 N ALA A 93 12.117 8.327 10.144 1.00 32.41 N ATOM 535 CA ALA A 93 12.856 8.761 11.341 1.00 12.30 C ATOM 536 C ALA A 93 13.800 7.655 11.866 1.00 11.33 C ATOM 537 O ALA A 93 14.343 7.762 12.977 1.00 45.51 O ATOM 538 CB ALA A 93 11.844 9.195 12.407 1.00 64.12 C ATOM 0 H ALA A 93 11.244 7.846 10.361 1.00 32.41 H new ATOM 0 HA ALA A 93 13.496 9.605 11.083 1.00 12.30 H new ATOM 0 HB1 ALA A 93 12.375 9.520 13.302 1.00 64.12 H new ATOM 0 HB2 ALA A 93 11.242 10.018 12.023 1.00 64.12 H new ATOM 0 HB3 ALA A 93 11.195 8.356 12.655 1.00 64.12 H new ATOM 544 N GLY A 94 13.987 6.591 11.056 1.00 42.43 N ATOM 545 CA GLY A 94 14.980 5.539 11.331 1.00 13.30 C ATOM 546 C GLY A 94 14.501 4.421 12.249 1.00 12.43 C ATOM 547 O GLY A 94 15.315 3.601 12.679 1.00 62.35 O ATOM 0 H GLY A 94 13.455 6.441 10.199 1.00 42.43 H new ATOM 0 HA2 GLY A 94 15.294 5.101 10.384 1.00 13.30 H new ATOM 0 HA3 GLY A 94 15.862 6.001 11.776 1.00 13.30 H new ATOM 551 N SER A 95 13.197 4.384 12.551 1.00 65.23 N ATOM 552 CA SER A 95 12.586 3.301 13.347 1.00 20.25 C ATOM 553 C SER A 95 12.265 2.071 12.465 1.00 52.41 C ATOM 554 O SER A 95 11.329 2.103 11.647 1.00 35.22 O ATOM 555 CB SER A 95 11.307 3.821 14.033 1.00 32.21 C ATOM 556 OG SER A 95 11.578 4.968 14.812 1.00 30.14 O ATOM 0 H SER A 95 12.534 5.100 12.254 1.00 65.23 H new ATOM 0 HA SER A 95 13.300 2.985 14.108 1.00 20.25 H new ATOM 0 HB2 SER A 95 10.557 4.059 13.279 1.00 32.21 H new ATOM 0 HB3 SER A 95 10.886 3.039 14.665 1.00 32.21 H new ATOM 0 HG SER A 95 10.751 5.279 15.235 1.00 30.14 H new ATOM 562 N LYS A 96 13.079 1.004 12.640 1.00 74.11 N ATOM 563 CA LYS A 96 12.932 -0.281 11.927 1.00 32.23 C ATOM 564 C LYS A 96 11.658 -1.038 12.322 1.00 61.34 C ATOM 565 O LYS A 96 11.242 -1.939 11.588 1.00 13.02 O ATOM 566 CB LYS A 96 14.187 -1.174 12.115 1.00 54.42 C ATOM 567 CG LYS A 96 14.414 -1.723 13.537 1.00 35.43 C ATOM 568 CD LYS A 96 15.702 -2.577 13.632 1.00 2.33 C ATOM 569 CE LYS A 96 15.822 -3.302 14.979 1.00 34.11 C ATOM 570 NZ LYS A 96 14.719 -4.281 15.184 1.00 21.51 N ATOM 0 H LYS A 96 13.866 1.014 13.289 1.00 74.11 H new ATOM 0 HA LYS A 96 12.837 -0.037 10.869 1.00 32.23 H new ATOM 0 HB2 LYS A 96 14.116 -2.017 11.428 1.00 54.42 H new ATOM 0 HB3 LYS A 96 15.066 -0.599 11.824 1.00 54.42 H new ATOM 0 HG2 LYS A 96 14.477 -0.892 14.240 1.00 35.43 H new ATOM 0 HG3 LYS A 96 13.556 -2.327 13.833 1.00 35.43 H new ATOM 0 HD2 LYS A 96 15.709 -3.310 12.825 1.00 2.33 H new ATOM 0 HD3 LYS A 96 16.572 -1.936 13.488 1.00 2.33 H new ATOM 0 HE2 LYS A 96 16.780 -3.819 15.029 1.00 34.11 H new ATOM 0 HE3 LYS A 96 15.813 -2.570 15.787 1.00 34.11 H new ATOM 0 HZ1 LYS A 96 14.972 -4.932 15.954 1.00 21.51 H new ATOM 0 HZ2 LYS A 96 13.846 -3.773 15.432 1.00 21.51 H new ATOM 0 HZ3 LYS A 96 14.568 -4.822 14.309 1.00 21.51 H new ATOM 584 N SER A 97 11.065 -0.705 13.496 1.00 24.45 N ATOM 585 CA SER A 97 9.768 -1.270 13.923 1.00 10.10 C ATOM 586 C SER A 97 8.691 -0.987 12.863 1.00 23.52 C ATOM 587 O SER A 97 8.090 -1.912 12.321 1.00 20.22 O ATOM 588 CB SER A 97 9.315 -0.691 15.289 1.00 2.32 C ATOM 589 OG SER A 97 10.288 -0.915 16.294 1.00 42.44 O ATOM 0 H SER A 97 11.469 -0.046 14.162 1.00 24.45 H new ATOM 0 HA SER A 97 9.900 -2.346 14.035 1.00 10.10 H new ATOM 0 HB2 SER A 97 9.132 0.379 15.190 1.00 2.32 H new ATOM 0 HB3 SER A 97 8.372 -1.149 15.585 1.00 2.32 H new ATOM 0 HG SER A 97 9.975 -0.538 17.142 1.00 42.44 H new ATOM 595 N ALA A 98 8.533 0.316 12.537 1.00 52.33 N ATOM 596 CA ALA A 98 7.576 0.799 11.540 1.00 72.20 C ATOM 597 C ALA A 98 7.929 0.279 10.147 1.00 52.21 C ATOM 598 O ALA A 98 7.043 -0.120 9.407 1.00 33.14 O ATOM 599 CB ALA A 98 7.544 2.324 11.530 1.00 13.41 C ATOM 0 H ALA A 98 9.077 1.063 12.969 1.00 52.33 H new ATOM 0 HA ALA A 98 6.590 0.423 11.811 1.00 72.20 H new ATOM 0 HB1 ALA A 98 6.828 2.668 10.784 1.00 13.41 H new ATOM 0 HB2 ALA A 98 7.246 2.688 12.513 1.00 13.41 H new ATOM 0 HB3 ALA A 98 8.535 2.707 11.286 1.00 13.41 H new ATOM 605 N MET A 99 9.244 0.284 9.825 1.00 1.15 N ATOM 606 CA MET A 99 9.778 -0.128 8.509 1.00 21.22 C ATOM 607 C MET A 99 9.485 -1.611 8.201 1.00 72.53 C ATOM 608 O MET A 99 9.155 -1.954 7.067 1.00 33.51 O ATOM 609 CB MET A 99 11.303 0.169 8.459 1.00 41.34 C ATOM 610 CG MET A 99 12.017 -0.189 7.132 1.00 11.34 C ATOM 611 SD MET A 99 12.399 -1.949 6.965 1.00 71.31 S ATOM 612 CE MET A 99 13.534 -2.196 8.328 1.00 43.13 C ATOM 0 H MET A 99 9.970 0.577 10.479 1.00 1.15 H new ATOM 0 HA MET A 99 9.272 0.450 7.735 1.00 21.22 H new ATOM 0 HB2 MET A 99 11.454 1.230 8.656 1.00 41.34 H new ATOM 0 HB3 MET A 99 11.787 -0.377 9.269 1.00 41.34 H new ATOM 0 HG2 MET A 99 11.388 0.118 6.297 1.00 11.34 H new ATOM 0 HG3 MET A 99 12.942 0.383 7.061 1.00 11.34 H new ATOM 0 HE1 MET A 99 14.192 -3.036 8.106 1.00 43.13 H new ATOM 0 HE2 MET A 99 14.131 -1.296 8.472 1.00 43.13 H new ATOM 0 HE3 MET A 99 12.971 -2.406 9.237 1.00 43.13 H new ATOM 622 N GLU A 100 9.582 -2.462 9.236 1.00 45.02 N ATOM 623 CA GLU A 100 9.321 -3.914 9.128 1.00 15.21 C ATOM 624 C GLU A 100 7.811 -4.170 8.932 1.00 13.40 C ATOM 625 O GLU A 100 7.419 -5.034 8.147 1.00 24.25 O ATOM 626 CB GLU A 100 9.857 -4.643 10.392 1.00 72.41 C ATOM 627 CG GLU A 100 9.726 -6.175 10.348 1.00 65.23 C ATOM 628 CD GLU A 100 10.273 -6.850 11.610 1.00 12.43 C ATOM 629 OE1 GLU A 100 11.508 -6.990 11.731 1.00 24.34 O ATOM 630 OE2 GLU A 100 9.477 -7.234 12.492 1.00 34.22 O ATOM 0 H GLU A 100 9.844 -2.165 10.176 1.00 45.02 H new ATOM 0 HA GLU A 100 9.844 -4.311 8.258 1.00 15.21 H new ATOM 0 HB2 GLU A 100 10.907 -4.384 10.527 1.00 72.41 H new ATOM 0 HB3 GLU A 100 9.322 -4.270 11.265 1.00 72.41 H new ATOM 0 HG2 GLU A 100 8.677 -6.443 10.223 1.00 65.23 H new ATOM 0 HG3 GLU A 100 10.258 -6.557 9.477 1.00 65.23 H new ATOM 637 N ARG A 101 6.995 -3.355 9.625 1.00 32.12 N ATOM 638 CA ARG A 101 5.520 -3.386 9.509 1.00 70.11 C ATOM 639 C ARG A 101 5.073 -2.819 8.152 1.00 54.11 C ATOM 640 O ARG A 101 4.033 -3.189 7.624 1.00 52.31 O ATOM 641 CB ARG A 101 4.861 -2.548 10.628 1.00 70.24 C ATOM 642 CG ARG A 101 5.164 -3.010 12.068 1.00 5.11 C ATOM 643 CD ARG A 101 4.554 -2.061 13.111 1.00 31.52 C ATOM 644 NE ARG A 101 4.964 -2.373 14.488 1.00 2.52 N ATOM 645 CZ ARG A 101 4.867 -1.519 15.521 1.00 54.40 C ATOM 646 NH1 ARG A 101 4.368 -0.294 15.346 1.00 51.03 N ATOM 647 NH2 ARG A 101 5.254 -1.895 16.729 1.00 20.25 N ATOM 0 H ARG A 101 7.337 -2.655 10.283 1.00 32.12 H new ATOM 0 HA ARG A 101 5.208 -4.427 9.599 1.00 70.11 H new ATOM 0 HB2 ARG A 101 5.185 -1.513 10.521 1.00 70.24 H new ATOM 0 HB3 ARG A 101 3.781 -2.561 10.480 1.00 70.24 H new ATOM 0 HG2 ARG A 101 4.771 -4.016 12.218 1.00 5.11 H new ATOM 0 HG3 ARG A 101 6.243 -3.065 12.213 1.00 5.11 H new ATOM 0 HD2 ARG A 101 4.845 -1.037 12.875 1.00 31.52 H new ATOM 0 HD3 ARG A 101 3.467 -2.107 13.043 1.00 31.52 H new ATOM 0 HE ARG A 101 5.348 -3.300 14.672 1.00 2.52 H new ATOM 0 HH11 ARG A 101 4.056 0.002 14.421 1.00 51.03 H new ATOM 0 HH12 ARG A 101 4.299 0.346 16.137 1.00 51.03 H new ATOM 0 HH21 ARG A 101 5.626 -2.833 16.876 1.00 20.25 H new ATOM 0 HH22 ARG A 101 5.180 -1.247 17.513 1.00 20.25 H new ATOM 661 N LEU A 102 5.885 -1.893 7.626 1.00 32.41 N ATOM 662 CA LEU A 102 5.617 -1.158 6.386 1.00 55.01 C ATOM 663 C LEU A 102 5.877 -2.072 5.179 1.00 1.40 C ATOM 664 O LEU A 102 5.055 -2.143 4.266 1.00 12.31 O ATOM 665 CB LEU A 102 6.521 0.106 6.373 1.00 52.31 C ATOM 666 CG LEU A 102 6.380 1.109 5.194 1.00 44.32 C ATOM 667 CD1 LEU A 102 4.968 1.689 5.084 1.00 34.23 C ATOM 668 CD2 LEU A 102 7.413 2.235 5.333 1.00 64.13 C ATOM 0 H LEU A 102 6.768 -1.629 8.063 1.00 32.41 H new ATOM 0 HA LEU A 102 4.575 -0.842 6.328 1.00 55.01 H new ATOM 0 HB2 LEU A 102 6.338 0.654 7.297 1.00 52.31 H new ATOM 0 HB3 LEU A 102 7.558 -0.228 6.401 1.00 52.31 H new ATOM 0 HG LEU A 102 6.568 0.556 4.274 1.00 44.32 H new ATOM 0 HD11 LEU A 102 4.924 2.383 4.245 1.00 34.23 H new ATOM 0 HD12 LEU A 102 4.254 0.881 4.924 1.00 34.23 H new ATOM 0 HD13 LEU A 102 4.719 2.216 6.005 1.00 34.23 H new ATOM 0 HD21 LEU A 102 7.305 2.932 4.502 1.00 64.13 H new ATOM 0 HD22 LEU A 102 7.251 2.763 6.273 1.00 64.13 H new ATOM 0 HD23 LEU A 102 8.417 1.811 5.323 1.00 64.13 H new ATOM 680 N LYS A 103 7.024 -2.792 5.205 1.00 72.30 N ATOM 681 CA LYS A 103 7.363 -3.807 4.189 1.00 55.10 C ATOM 682 C LYS A 103 6.394 -4.984 4.242 1.00 20.43 C ATOM 683 O LYS A 103 5.918 -5.432 3.198 1.00 31.13 O ATOM 684 CB LYS A 103 8.818 -4.307 4.355 1.00 42.14 C ATOM 685 CG LYS A 103 9.874 -3.197 4.205 1.00 22.24 C ATOM 686 CD LYS A 103 11.317 -3.734 4.247 1.00 73.31 C ATOM 687 CE LYS A 103 11.674 -4.599 3.026 1.00 11.45 C ATOM 688 NZ LYS A 103 13.069 -5.111 3.101 1.00 43.32 N ATOM 0 H LYS A 103 7.735 -2.684 5.929 1.00 72.30 H new ATOM 0 HA LYS A 103 7.275 -3.329 3.213 1.00 55.10 H new ATOM 0 HB2 LYS A 103 8.925 -4.768 5.337 1.00 42.14 H new ATOM 0 HB3 LYS A 103 9.013 -5.084 3.616 1.00 42.14 H new ATOM 0 HG2 LYS A 103 9.713 -2.674 3.262 1.00 22.24 H new ATOM 0 HG3 LYS A 103 9.741 -2.465 5.002 1.00 22.24 H new ATOM 0 HD2 LYS A 103 12.009 -2.894 4.305 1.00 73.31 H new ATOM 0 HD3 LYS A 103 11.453 -4.323 5.154 1.00 73.31 H new ATOM 0 HE2 LYS A 103 10.982 -5.438 2.960 1.00 11.45 H new ATOM 0 HE3 LYS A 103 11.551 -4.012 2.116 1.00 11.45 H new ATOM 0 HZ1 LYS A 103 13.272 -5.689 2.261 1.00 43.32 H new ATOM 0 HZ2 LYS A 103 13.731 -4.310 3.138 1.00 43.32 H new ATOM 0 HZ3 LYS A 103 13.180 -5.692 3.956 1.00 43.32 H new ATOM 702 N ARG A 104 6.097 -5.469 5.471 1.00 44.44 N ATOM 703 CA ARG A 104 5.094 -6.527 5.681 1.00 41.44 C ATOM 704 C ARG A 104 3.710 -6.041 5.226 1.00 62.31 C ATOM 705 O ARG A 104 2.889 -6.834 4.765 1.00 30.00 O ATOM 706 CB ARG A 104 5.025 -6.967 7.166 1.00 32.22 C ATOM 707 CG ARG A 104 3.993 -8.092 7.431 1.00 60.25 C ATOM 708 CD ARG A 104 3.856 -8.482 8.902 1.00 64.11 C ATOM 709 NE ARG A 104 2.837 -9.539 9.082 1.00 55.11 N ATOM 710 CZ ARG A 104 3.041 -10.726 9.671 1.00 35.45 C ATOM 711 NH1 ARG A 104 4.244 -11.053 10.155 1.00 40.42 N ATOM 712 NH2 ARG A 104 2.044 -11.599 9.748 1.00 43.23 N ATOM 0 H ARG A 104 6.541 -5.141 6.329 1.00 44.44 H new ATOM 0 HA ARG A 104 5.398 -7.388 5.086 1.00 41.44 H new ATOM 0 HB2 ARG A 104 6.011 -7.308 7.482 1.00 32.22 H new ATOM 0 HB3 ARG A 104 4.774 -6.103 7.781 1.00 32.22 H new ATOM 0 HG2 ARG A 104 3.020 -7.772 7.059 1.00 60.25 H new ATOM 0 HG3 ARG A 104 4.279 -8.974 6.858 1.00 60.25 H new ATOM 0 HD2 ARG A 104 4.817 -8.831 9.279 1.00 64.11 H new ATOM 0 HD3 ARG A 104 3.582 -7.606 9.489 1.00 64.11 H new ATOM 0 HE ARG A 104 1.900 -9.349 8.728 1.00 55.11 H new ATOM 0 HH11 ARG A 104 5.020 -10.396 10.078 1.00 40.42 H new ATOM 0 HH12 ARG A 104 4.385 -11.960 10.601 1.00 40.42 H new ATOM 0 HH21 ARG A 104 1.130 -11.365 9.360 1.00 43.23 H new ATOM 0 HH22 ARG A 104 2.192 -12.504 10.195 1.00 43.23 H new ATOM 726 N GLY A 105 3.481 -4.724 5.377 1.00 61.03 N ATOM 727 CA GLY A 105 2.276 -4.075 4.898 1.00 4.11 C ATOM 728 C GLY A 105 2.108 -4.232 3.400 1.00 61.35 C ATOM 729 O GLY A 105 1.043 -4.615 2.953 1.00 61.14 O ATOM 0 H GLY A 105 4.135 -4.091 5.837 1.00 61.03 H new ATOM 0 HA2 GLY A 105 1.409 -4.497 5.407 1.00 4.11 H new ATOM 0 HA3 GLY A 105 2.309 -3.015 5.151 1.00 4.11 H new ATOM 733 N ILE A 106 3.188 -3.977 2.635 1.00 44.41 N ATOM 734 CA ILE A 106 3.187 -4.162 1.170 1.00 73.41 C ATOM 735 C ILE A 106 3.049 -5.659 0.787 1.00 10.14 C ATOM 736 O ILE A 106 2.398 -5.973 -0.193 1.00 71.15 O ATOM 737 CB ILE A 106 4.459 -3.483 0.490 1.00 53.33 C ATOM 738 CG1 ILE A 106 4.218 -1.954 0.236 1.00 41.31 C ATOM 739 CG2 ILE A 106 4.897 -4.175 -0.835 1.00 41.42 C ATOM 740 CD1 ILE A 106 4.152 -1.063 1.458 1.00 41.52 C ATOM 0 H ILE A 106 4.075 -3.641 3.009 1.00 44.41 H new ATOM 0 HA ILE A 106 2.309 -3.650 0.776 1.00 73.41 H new ATOM 0 HB ILE A 106 5.274 -3.610 1.202 1.00 53.33 H new ATOM 0 HG12 ILE A 106 5.015 -1.587 -0.410 1.00 41.31 H new ATOM 0 HG13 ILE A 106 3.285 -1.844 -0.316 1.00 41.31 H new ATOM 0 HG21 ILE A 106 5.768 -3.662 -1.243 1.00 41.42 H new ATOM 0 HG22 ILE A 106 5.150 -5.216 -0.635 1.00 41.42 H new ATOM 0 HG23 ILE A 106 4.080 -4.132 -1.555 1.00 41.42 H new ATOM 0 HD11 ILE A 106 3.982 -0.032 1.148 1.00 41.52 H new ATOM 0 HD12 ILE A 106 3.334 -1.388 2.101 1.00 41.52 H new ATOM 0 HD13 ILE A 106 5.092 -1.127 2.006 1.00 41.52 H new ATOM 752 N ILE A 107 3.633 -6.574 1.588 1.00 22.24 N ATOM 753 CA ILE A 107 3.524 -8.038 1.350 1.00 35.20 C ATOM 754 C ILE A 107 2.055 -8.501 1.519 1.00 33.12 C ATOM 755 O ILE A 107 1.512 -9.233 0.681 1.00 35.21 O ATOM 756 CB ILE A 107 4.469 -8.842 2.322 1.00 63.45 C ATOM 757 CG1 ILE A 107 5.963 -8.466 2.064 1.00 21.02 C ATOM 758 CG2 ILE A 107 4.252 -10.373 2.191 1.00 1.22 C ATOM 759 CD1 ILE A 107 6.947 -9.039 3.067 1.00 71.35 C ATOM 0 H ILE A 107 4.187 -6.329 2.409 1.00 22.24 H new ATOM 0 HA ILE A 107 3.842 -8.241 0.327 1.00 35.20 H new ATOM 0 HB ILE A 107 4.213 -8.564 3.344 1.00 63.45 H new ATOM 0 HG12 ILE A 107 6.242 -8.808 1.067 1.00 21.02 H new ATOM 0 HG13 ILE A 107 6.055 -7.380 2.066 1.00 21.02 H new ATOM 0 HG21 ILE A 107 4.920 -10.895 2.876 1.00 1.22 H new ATOM 0 HG22 ILE A 107 3.218 -10.616 2.437 1.00 1.22 H new ATOM 0 HG23 ILE A 107 4.465 -10.684 1.168 1.00 1.22 H new ATOM 0 HD11 ILE A 107 7.957 -8.724 2.806 1.00 71.35 H new ATOM 0 HD12 ILE A 107 6.701 -8.678 4.065 1.00 71.35 H new ATOM 0 HD13 ILE A 107 6.891 -10.127 3.051 1.00 71.35 H new ATOM 771 N HIS A 108 1.429 -8.001 2.601 1.00 32.22 N ATOM 772 CA HIS A 108 0.034 -8.290 2.968 1.00 43.35 C ATOM 773 C HIS A 108 -0.918 -7.639 1.955 1.00 61.50 C ATOM 774 O HIS A 108 -1.919 -8.236 1.563 1.00 1.13 O ATOM 775 CB HIS A 108 -0.258 -7.776 4.412 1.00 65.13 C ATOM 776 CG HIS A 108 -1.636 -8.088 4.934 1.00 12.25 C ATOM 777 ND1 HIS A 108 -2.365 -7.212 5.717 1.00 52.30 N ATOM 778 CD2 HIS A 108 -2.412 -9.187 4.798 1.00 30.35 C ATOM 779 CE1 HIS A 108 -3.520 -7.762 6.035 1.00 25.51 C ATOM 780 NE2 HIS A 108 -3.573 -8.957 5.487 1.00 3.11 N ATOM 0 H HIS A 108 1.891 -7.371 3.257 1.00 32.22 H new ATOM 0 HA HIS A 108 -0.126 -9.368 2.950 1.00 43.35 H new ATOM 0 HB2 HIS A 108 0.477 -8.208 5.091 1.00 65.13 H new ATOM 0 HB3 HIS A 108 -0.114 -6.696 4.433 1.00 65.13 H new ATOM 0 HD2 HIS A 108 -2.162 -10.082 4.247 1.00 30.35 H new ATOM 0 HE1 HIS A 108 -4.291 -7.309 6.641 1.00 25.51 H new ATOM 0 HE2 HIS A 108 -4.354 -9.608 5.563 1.00 3.11 H new ATOM 789 N ALA A 109 -0.565 -6.425 1.519 1.00 23.42 N ATOM 790 CA ALA A 109 -1.364 -5.643 0.572 1.00 23.42 C ATOM 791 C ALA A 109 -1.342 -6.286 -0.826 1.00 12.24 C ATOM 792 O ALA A 109 -2.377 -6.421 -1.467 1.00 3.13 O ATOM 793 CB ALA A 109 -0.847 -4.204 0.523 1.00 21.33 C ATOM 0 H ALA A 109 0.290 -5.955 1.816 1.00 23.42 H new ATOM 0 HA ALA A 109 -2.400 -5.630 0.911 1.00 23.42 H new ATOM 0 HB1 ALA A 109 -1.444 -3.627 -0.183 1.00 21.33 H new ATOM 0 HB2 ALA A 109 -0.923 -3.756 1.514 1.00 21.33 H new ATOM 0 HB3 ALA A 109 0.195 -4.202 0.203 1.00 21.33 H new ATOM 799 N ARG A 110 -0.145 -6.732 -1.237 1.00 51.15 N ATOM 800 CA ARG A 110 0.096 -7.415 -2.527 1.00 10.04 C ATOM 801 C ARG A 110 -0.626 -8.766 -2.553 1.00 23.34 C ATOM 802 O ARG A 110 -1.102 -9.205 -3.604 1.00 31.31 O ATOM 803 CB ARG A 110 1.640 -7.562 -2.735 1.00 43.33 C ATOM 804 CG ARG A 110 2.117 -8.443 -3.933 1.00 50.34 C ATOM 805 CD ARG A 110 2.597 -9.840 -3.495 1.00 71.12 C ATOM 806 NE ARG A 110 3.761 -9.761 -2.583 1.00 54.31 N ATOM 807 CZ ARG A 110 4.207 -10.750 -1.787 1.00 34.43 C ATOM 808 NH1 ARG A 110 3.595 -11.932 -1.756 1.00 72.01 N ATOM 809 NH2 ARG A 110 5.297 -10.560 -1.047 1.00 1.32 N ATOM 0 H ARG A 110 0.700 -6.629 -0.676 1.00 51.15 H new ATOM 0 HA ARG A 110 -0.307 -6.828 -3.352 1.00 10.04 H new ATOM 0 HB2 ARG A 110 2.061 -6.564 -2.861 1.00 43.33 H new ATOM 0 HB3 ARG A 110 2.066 -7.975 -1.821 1.00 43.33 H new ATOM 0 HG2 ARG A 110 1.299 -8.552 -4.646 1.00 50.34 H new ATOM 0 HG3 ARG A 110 2.927 -7.932 -4.453 1.00 50.34 H new ATOM 0 HD2 ARG A 110 1.781 -10.365 -2.998 1.00 71.12 H new ATOM 0 HD3 ARG A 110 2.864 -10.425 -4.375 1.00 71.12 H new ATOM 0 HE ARG A 110 4.270 -8.878 -2.556 1.00 54.31 H new ATOM 0 HH11 ARG A 110 2.776 -12.098 -2.341 1.00 72.01 H new ATOM 0 HH12 ARG A 110 3.945 -12.672 -1.147 1.00 72.01 H new ATOM 0 HH21 ARG A 110 5.790 -9.668 -1.085 1.00 1.32 H new ATOM 0 HH22 ARG A 110 5.639 -11.306 -0.442 1.00 1.32 H new ATOM 823 N ALA A 111 -0.731 -9.387 -1.365 1.00 55.13 N ATOM 824 CA ALA A 111 -1.452 -10.644 -1.175 1.00 20.42 C ATOM 825 C ALA A 111 -2.965 -10.427 -1.355 1.00 4.32 C ATOM 826 O ALA A 111 -3.603 -11.158 -2.105 1.00 23.04 O ATOM 827 CB ALA A 111 -1.143 -11.219 0.210 1.00 4.55 C ATOM 0 H ALA A 111 -0.313 -9.023 -0.509 1.00 55.13 H new ATOM 0 HA ALA A 111 -1.122 -11.360 -1.928 1.00 20.42 H new ATOM 0 HB1 ALA A 111 -1.684 -12.156 0.344 1.00 4.55 H new ATOM 0 HB2 ALA A 111 -0.072 -11.403 0.297 1.00 4.55 H new ATOM 0 HB3 ALA A 111 -1.453 -10.508 0.976 1.00 4.55 H new ATOM 833 N LEU A 112 -3.498 -9.363 -0.705 1.00 70.04 N ATOM 834 CA LEU A 112 -4.952 -9.052 -0.688 1.00 1.11 C ATOM 835 C LEU A 112 -5.475 -8.669 -2.084 1.00 31.35 C ATOM 836 O LEU A 112 -6.562 -9.107 -2.482 1.00 42.14 O ATOM 837 CB LEU A 112 -5.269 -7.933 0.351 1.00 70.10 C ATOM 838 CG LEU A 112 -5.091 -8.343 1.852 1.00 2.22 C ATOM 839 CD1 LEU A 112 -5.346 -7.148 2.790 1.00 54.12 C ATOM 840 CD2 LEU A 112 -5.989 -9.550 2.217 1.00 31.32 C ATOM 0 H LEU A 112 -2.934 -8.696 -0.178 1.00 70.04 H new ATOM 0 HA LEU A 112 -5.473 -9.960 -0.386 1.00 1.11 H new ATOM 0 HB2 LEU A 112 -4.625 -7.077 0.146 1.00 70.10 H new ATOM 0 HB3 LEU A 112 -6.297 -7.602 0.201 1.00 70.10 H new ATOM 0 HG LEU A 112 -4.055 -8.654 1.989 1.00 2.22 H new ATOM 0 HD11 LEU A 112 -5.215 -7.464 3.825 1.00 54.12 H new ATOM 0 HD12 LEU A 112 -4.640 -6.349 2.562 1.00 54.12 H new ATOM 0 HD13 LEU A 112 -6.364 -6.784 2.648 1.00 54.12 H new ATOM 0 HD21 LEU A 112 -5.842 -9.809 3.265 1.00 31.32 H new ATOM 0 HD22 LEU A 112 -7.034 -9.289 2.051 1.00 31.32 H new ATOM 0 HD23 LEU A 112 -5.724 -10.403 1.592 1.00 31.32 H new ATOM 852 N VAL A 113 -4.679 -7.860 -2.821 1.00 40.42 N ATOM 853 CA VAL A 113 -4.998 -7.475 -4.211 1.00 41.14 C ATOM 854 C VAL A 113 -4.997 -8.723 -5.113 1.00 23.32 C ATOM 855 O VAL A 113 -5.883 -8.893 -5.956 1.00 0.45 O ATOM 856 CB VAL A 113 -3.995 -6.396 -4.787 1.00 61.22 C ATOM 857 CG1 VAL A 113 -4.392 -5.972 -6.222 1.00 64.23 C ATOM 858 CG2 VAL A 113 -3.909 -5.159 -3.874 1.00 23.03 C ATOM 0 H VAL A 113 -3.808 -7.461 -2.472 1.00 40.42 H new ATOM 0 HA VAL A 113 -5.989 -7.022 -4.201 1.00 41.14 H new ATOM 0 HB VAL A 113 -3.010 -6.862 -4.823 1.00 61.22 H new ATOM 0 HG11 VAL A 113 -3.684 -5.230 -6.591 1.00 64.23 H new ATOM 0 HG12 VAL A 113 -4.378 -6.844 -6.876 1.00 64.23 H new ATOM 0 HG13 VAL A 113 -5.394 -5.544 -6.211 1.00 64.23 H new ATOM 0 HG21 VAL A 113 -3.211 -4.439 -4.301 1.00 23.03 H new ATOM 0 HG22 VAL A 113 -4.894 -4.701 -3.788 1.00 23.03 H new ATOM 0 HG23 VAL A 113 -3.561 -5.460 -2.886 1.00 23.03 H new ATOM 868 N ARG A 114 -4.016 -9.617 -4.881 1.00 53.25 N ATOM 869 CA ARG A 114 -3.847 -10.848 -5.672 1.00 2.41 C ATOM 870 C ARG A 114 -5.005 -11.840 -5.436 1.00 12.32 C ATOM 871 O ARG A 114 -5.493 -12.462 -6.389 1.00 2.30 O ATOM 872 CB ARG A 114 -2.474 -11.505 -5.369 1.00 0.13 C ATOM 873 CG ARG A 114 -2.190 -12.797 -6.176 1.00 20.54 C ATOM 874 CD ARG A 114 -2.102 -12.548 -7.696 1.00 0.12 C ATOM 875 NE ARG A 114 -2.100 -13.796 -8.478 1.00 52.31 N ATOM 876 CZ ARG A 114 -1.800 -13.888 -9.783 1.00 51.21 C ATOM 877 NH1 ARG A 114 -1.453 -12.810 -10.490 1.00 33.30 N ATOM 878 NH2 ARG A 114 -1.862 -15.064 -10.388 1.00 52.22 N ATOM 0 H ARG A 114 -3.322 -9.505 -4.142 1.00 53.25 H new ATOM 0 HA ARG A 114 -3.870 -10.573 -6.727 1.00 2.41 H new ATOM 0 HB2 ARG A 114 -1.685 -10.782 -5.576 1.00 0.13 H new ATOM 0 HB3 ARG A 114 -2.423 -11.737 -4.305 1.00 0.13 H new ATOM 0 HG2 ARG A 114 -1.255 -13.237 -5.830 1.00 20.54 H new ATOM 0 HG3 ARG A 114 -2.977 -13.524 -5.977 1.00 20.54 H new ATOM 0 HD2 ARG A 114 -2.944 -11.930 -8.008 1.00 0.12 H new ATOM 0 HD3 ARG A 114 -1.195 -11.985 -7.916 1.00 0.12 H new ATOM 0 HE ARG A 114 -2.346 -14.657 -7.990 1.00 52.31 H new ATOM 0 HH11 ARG A 114 -1.412 -11.896 -10.039 1.00 33.30 H new ATOM 0 HH12 ARG A 114 -1.229 -12.901 -11.481 1.00 33.30 H new ATOM 0 HH21 ARG A 114 -2.137 -15.894 -9.863 1.00 52.22 H new ATOM 0 HH22 ARG A 114 -1.635 -15.140 -11.380 1.00 52.22 H new ATOM 1319 N THR B 75 -5.300 -4.006 -11.487 1.00 72.11 N ATOM 1320 CA THR B 75 -3.866 -4.367 -11.458 1.00 21.42 C ATOM 1321 C THR B 75 -2.998 -3.099 -11.242 1.00 32.52 C ATOM 1322 O THR B 75 -1.845 -3.201 -10.801 1.00 24.31 O ATOM 1323 CB THR B 75 -3.455 -5.123 -12.772 1.00 71.14 C ATOM 1324 OG1 THR B 75 -4.329 -6.251 -12.965 1.00 22.42 O ATOM 1325 CG2 THR B 75 -1.992 -5.628 -12.758 1.00 4.03 C ATOM 0 HA THR B 75 -3.693 -5.044 -10.621 1.00 21.42 H new ATOM 0 HB THR B 75 -3.543 -4.404 -13.586 1.00 71.14 H new ATOM 0 HG1 THR B 75 -5.184 -6.083 -12.517 1.00 22.42 H new ATOM 0 HG21 THR B 75 -1.775 -6.141 -13.695 1.00 4.03 H new ATOM 0 HG22 THR B 75 -1.316 -4.781 -12.643 1.00 4.03 H new ATOM 0 HG23 THR B 75 -1.853 -6.319 -11.926 1.00 4.03 H new ATOM 1333 N ASP B 76 -3.590 -1.905 -11.509 1.00 24.13 N ATOM 1334 CA ASP B 76 -2.968 -0.604 -11.191 1.00 22.33 C ATOM 1335 C ASP B 76 -2.671 -0.528 -9.690 1.00 44.01 C ATOM 1336 O ASP B 76 -1.568 -0.181 -9.292 1.00 64.44 O ATOM 1337 CB ASP B 76 -3.888 0.576 -11.613 1.00 61.41 C ATOM 1338 CG ASP B 76 -3.284 1.961 -11.288 1.00 11.30 C ATOM 1339 OD1 ASP B 76 -2.198 2.278 -11.806 1.00 61.22 O ATOM 1340 OD2 ASP B 76 -3.895 2.755 -10.547 1.00 44.40 O ATOM 0 H ASP B 76 -4.507 -1.824 -11.948 1.00 24.13 H new ATOM 0 HA ASP B 76 -2.037 -0.522 -11.751 1.00 22.33 H new ATOM 0 HB2 ASP B 76 -4.082 0.513 -12.684 1.00 61.41 H new ATOM 0 HB3 ASP B 76 -4.849 0.478 -11.109 1.00 61.41 H new ATOM 1345 N LEU B 77 -3.673 -0.941 -8.885 1.00 63.20 N ATOM 1346 CA LEU B 77 -3.597 -0.980 -7.416 1.00 51.05 C ATOM 1347 C LEU B 77 -2.438 -1.871 -6.946 1.00 64.34 C ATOM 1348 O LEU B 77 -1.654 -1.461 -6.095 1.00 63.33 O ATOM 1349 CB LEU B 77 -4.953 -1.470 -6.848 1.00 64.15 C ATOM 1350 CG LEU B 77 -5.047 -1.644 -5.300 1.00 34.24 C ATOM 1351 CD1 LEU B 77 -4.660 -0.355 -4.542 1.00 51.13 C ATOM 1352 CD2 LEU B 77 -6.452 -2.120 -4.907 1.00 62.24 C ATOM 0 H LEU B 77 -4.571 -1.261 -9.248 1.00 63.20 H new ATOM 0 HA LEU B 77 -3.399 0.024 -7.040 1.00 51.05 H new ATOM 0 HB2 LEU B 77 -5.725 -0.766 -7.158 1.00 64.15 H new ATOM 0 HB3 LEU B 77 -5.190 -2.427 -7.312 1.00 64.15 H new ATOM 0 HG LEU B 77 -4.323 -2.405 -5.007 1.00 34.24 H new ATOM 0 HD11 LEU B 77 -4.741 -0.526 -3.469 1.00 51.13 H new ATOM 0 HD12 LEU B 77 -3.634 -0.081 -4.789 1.00 51.13 H new ATOM 0 HD13 LEU B 77 -5.331 0.453 -4.832 1.00 51.13 H new ATOM 0 HD21 LEU B 77 -6.507 -2.238 -3.825 1.00 62.24 H new ATOM 0 HD22 LEU B 77 -7.189 -1.384 -5.229 1.00 62.24 H new ATOM 0 HD23 LEU B 77 -6.660 -3.076 -5.387 1.00 62.24 H new ATOM 1364 N LEU B 78 -2.322 -3.063 -7.567 1.00 22.35 N ATOM 1365 CA LEU B 78 -1.235 -4.029 -7.304 1.00 52.42 C ATOM 1366 C LEU B 78 0.144 -3.390 -7.602 1.00 5.42 C ATOM 1367 O LEU B 78 1.114 -3.604 -6.869 1.00 32.04 O ATOM 1368 CB LEU B 78 -1.442 -5.283 -8.194 1.00 43.42 C ATOM 1369 CG LEU B 78 -0.500 -6.499 -7.932 1.00 31.54 C ATOM 1370 CD1 LEU B 78 -0.731 -7.124 -6.532 1.00 31.03 C ATOM 1371 CD2 LEU B 78 -0.651 -7.547 -9.046 1.00 13.34 C ATOM 0 H LEU B 78 -2.986 -3.385 -8.271 1.00 22.35 H new ATOM 0 HA LEU B 78 -1.259 -4.316 -6.253 1.00 52.42 H new ATOM 0 HB2 LEU B 78 -2.472 -5.619 -8.072 1.00 43.42 H new ATOM 0 HB3 LEU B 78 -1.326 -4.983 -9.235 1.00 43.42 H new ATOM 0 HG LEU B 78 0.526 -6.131 -7.944 1.00 31.54 H new ATOM 0 HD11 LEU B 78 -0.054 -7.967 -6.394 1.00 31.03 H new ATOM 0 HD12 LEU B 78 -0.540 -6.375 -5.763 1.00 31.03 H new ATOM 0 HD13 LEU B 78 -1.762 -7.470 -6.454 1.00 31.03 H new ATOM 0 HD21 LEU B 78 0.013 -8.388 -8.847 1.00 13.34 H new ATOM 0 HD22 LEU B 78 -1.682 -7.899 -9.077 1.00 13.34 H new ATOM 0 HD23 LEU B 78 -0.391 -7.099 -10.005 1.00 13.34 H new ATOM 1383 N SER B 79 0.184 -2.569 -8.670 1.00 64.52 N ATOM 1384 CA SER B 79 1.406 -1.874 -9.108 1.00 65.33 C ATOM 1385 C SER B 79 1.794 -0.753 -8.131 1.00 4.13 C ATOM 1386 O SER B 79 2.976 -0.477 -7.952 1.00 34.14 O ATOM 1387 CB SER B 79 1.223 -1.307 -10.520 1.00 2.23 C ATOM 1388 OG SER B 79 0.778 -2.318 -11.397 1.00 10.22 O ATOM 0 H SER B 79 -0.630 -2.371 -9.251 1.00 64.52 H new ATOM 0 HA SER B 79 2.216 -2.603 -9.122 1.00 65.33 H new ATOM 0 HB2 SER B 79 0.503 -0.489 -10.501 1.00 2.23 H new ATOM 0 HB3 SER B 79 2.166 -0.893 -10.879 1.00 2.23 H new ATOM 0 HG SER B 79 -0.142 -2.567 -11.169 1.00 10.22 H new ATOM 1394 N VAL B 80 0.792 -0.122 -7.499 1.00 14.42 N ATOM 1395 CA VAL B 80 1.034 0.912 -6.480 1.00 73.22 C ATOM 1396 C VAL B 80 1.664 0.269 -5.237 1.00 62.42 C ATOM 1397 O VAL B 80 2.584 0.838 -4.646 1.00 14.21 O ATOM 1398 CB VAL B 80 -0.274 1.684 -6.067 1.00 73.25 C ATOM 1399 CG1 VAL B 80 0.044 2.843 -5.101 1.00 20.52 C ATOM 1400 CG2 VAL B 80 -1.027 2.200 -7.303 1.00 52.01 C ATOM 0 H VAL B 80 -0.195 -0.310 -7.676 1.00 14.42 H new ATOM 0 HA VAL B 80 1.712 1.643 -6.920 1.00 73.22 H new ATOM 0 HB VAL B 80 -0.921 0.978 -5.546 1.00 73.25 H new ATOM 0 HG11 VAL B 80 -0.879 3.357 -4.834 1.00 20.52 H new ATOM 0 HG12 VAL B 80 0.513 2.447 -4.200 1.00 20.52 H new ATOM 0 HG13 VAL B 80 0.723 3.545 -5.586 1.00 20.52 H new ATOM 0 HG21 VAL B 80 -1.926 2.729 -6.987 1.00 52.01 H new ATOM 0 HG22 VAL B 80 -0.384 2.879 -7.863 1.00 52.01 H new ATOM 0 HG23 VAL B 80 -1.305 1.358 -7.937 1.00 52.01 H new ATOM 1410 N ILE B 81 1.159 -0.935 -4.873 1.00 75.15 N ATOM 1411 CA ILE B 81 1.648 -1.709 -3.713 1.00 31.01 C ATOM 1412 C ILE B 81 3.174 -1.941 -3.789 1.00 11.01 C ATOM 1413 O ILE B 81 3.919 -1.522 -2.902 1.00 51.14 O ATOM 1414 CB ILE B 81 0.904 -3.093 -3.558 1.00 2.54 C ATOM 1415 CG1 ILE B 81 -0.657 -2.935 -3.517 1.00 2.32 C ATOM 1416 CG2 ILE B 81 1.405 -3.835 -2.310 1.00 21.31 C ATOM 1417 CD1 ILE B 81 -1.214 -1.991 -2.456 1.00 2.40 C ATOM 0 H ILE B 81 0.401 -1.394 -5.378 1.00 75.15 H new ATOM 0 HA ILE B 81 1.426 -1.107 -2.832 1.00 31.01 H new ATOM 0 HB ILE B 81 1.140 -3.684 -4.443 1.00 2.54 H new ATOM 0 HG12 ILE B 81 -0.991 -2.586 -4.494 1.00 2.32 H new ATOM 0 HG13 ILE B 81 -1.097 -3.920 -3.363 1.00 2.32 H new ATOM 0 HG21 ILE B 81 0.882 -4.787 -2.218 1.00 21.31 H new ATOM 0 HG22 ILE B 81 2.476 -4.017 -2.400 1.00 21.31 H new ATOM 0 HG23 ILE B 81 1.213 -3.229 -1.425 1.00 21.31 H new ATOM 0 HD11 ILE B 81 -2.301 -1.965 -2.527 1.00 2.40 H new ATOM 0 HD12 ILE B 81 -0.923 -2.344 -1.466 1.00 2.40 H new ATOM 0 HD13 ILE B 81 -0.816 -0.989 -2.616 1.00 2.40 H new ATOM 1429 N GLU B 82 3.623 -2.564 -4.893 1.00 4.21 N ATOM 1430 CA GLU B 82 5.045 -2.916 -5.105 1.00 12.33 C ATOM 1431 C GLU B 82 5.939 -1.658 -5.191 1.00 24.10 C ATOM 1432 O GLU B 82 7.094 -1.687 -4.739 1.00 34.12 O ATOM 1433 CB GLU B 82 5.191 -3.758 -6.391 1.00 73.01 C ATOM 1434 CG GLU B 82 4.636 -3.061 -7.645 1.00 0.42 C ATOM 1435 CD GLU B 82 4.776 -3.881 -8.921 1.00 2.22 C ATOM 1436 OE1 GLU B 82 5.899 -3.950 -9.455 1.00 32.11 O ATOM 1437 OE2 GLU B 82 3.775 -4.464 -9.395 1.00 43.34 O ATOM 0 H GLU B 82 3.014 -2.839 -5.664 1.00 4.21 H new ATOM 0 HA GLU B 82 5.377 -3.500 -4.246 1.00 12.33 H new ATOM 0 HB2 GLU B 82 6.245 -3.987 -6.548 1.00 73.01 H new ATOM 0 HB3 GLU B 82 4.675 -4.708 -6.254 1.00 73.01 H new ATOM 0 HG2 GLU B 82 3.582 -2.833 -7.485 1.00 0.42 H new ATOM 0 HG3 GLU B 82 5.151 -2.110 -7.778 1.00 0.42 H new ATOM 1444 N GLU B 83 5.383 -0.562 -5.772 1.00 32.05 N ATOM 1445 CA GLU B 83 6.079 0.737 -5.855 1.00 13.13 C ATOM 1446 C GLU B 83 6.370 1.265 -4.453 1.00 23.23 C ATOM 1447 O GLU B 83 7.513 1.583 -4.152 1.00 51.24 O ATOM 1448 CB GLU B 83 5.269 1.770 -6.679 1.00 74.13 C ATOM 1449 CG GLU B 83 5.349 1.575 -8.205 1.00 5.54 C ATOM 1450 CD GLU B 83 4.511 2.608 -8.968 1.00 52.03 C ATOM 1451 OE1 GLU B 83 4.841 3.819 -8.907 1.00 52.32 O ATOM 1452 OE2 GLU B 83 3.506 2.232 -9.609 1.00 65.43 O ATOM 0 H GLU B 83 4.452 -0.559 -6.189 1.00 32.05 H new ATOM 0 HA GLU B 83 7.024 0.581 -6.376 1.00 13.13 H new ATOM 0 HB2 GLU B 83 4.224 1.720 -6.374 1.00 74.13 H new ATOM 0 HB3 GLU B 83 5.625 2.771 -6.434 1.00 74.13 H new ATOM 0 HG2 GLU B 83 6.389 1.647 -8.524 1.00 5.54 H new ATOM 0 HG3 GLU B 83 5.006 0.572 -8.460 1.00 5.54 H new ATOM 1459 N MET B 84 5.336 1.297 -3.587 1.00 21.20 N ATOM 1460 CA MET B 84 5.486 1.695 -2.173 1.00 54.52 C ATOM 1461 C MET B 84 6.582 0.857 -1.499 1.00 10.35 C ATOM 1462 O MET B 84 7.442 1.399 -0.810 1.00 72.42 O ATOM 1463 CB MET B 84 4.141 1.555 -1.403 1.00 72.21 C ATOM 1464 CG MET B 84 3.010 2.441 -1.929 1.00 64.40 C ATOM 1465 SD MET B 84 1.509 2.363 -0.920 1.00 11.52 S ATOM 1466 CE MET B 84 1.068 0.631 -0.970 1.00 75.34 C ATOM 0 H MET B 84 4.381 1.050 -3.846 1.00 21.20 H new ATOM 0 HA MET B 84 5.778 2.745 -2.145 1.00 54.52 H new ATOM 0 HB2 MET B 84 3.820 0.514 -1.446 1.00 72.21 H new ATOM 0 HB3 MET B 84 4.312 1.792 -0.353 1.00 72.21 H new ATOM 0 HG2 MET B 84 3.357 3.473 -1.972 1.00 64.40 H new ATOM 0 HG3 MET B 84 2.769 2.143 -2.949 1.00 64.40 H new ATOM 0 HE1 MET B 84 0.262 0.440 -0.261 1.00 75.34 H new ATOM 0 HE2 MET B 84 0.737 0.369 -1.975 1.00 75.34 H new ATOM 0 HE3 MET B 84 1.936 0.027 -0.704 1.00 75.34 H new ATOM 1476 N GLY B 85 6.567 -0.458 -1.798 1.00 22.41 N ATOM 1477 CA GLY B 85 7.506 -1.426 -1.235 1.00 65.13 C ATOM 1478 C GLY B 85 8.977 -1.104 -1.491 1.00 75.34 C ATOM 1479 O GLY B 85 9.834 -1.417 -0.658 1.00 52.21 O ATOM 0 H GLY B 85 5.894 -0.872 -2.443 1.00 22.41 H new ATOM 0 HA2 GLY B 85 7.343 -1.488 -0.159 1.00 65.13 H new ATOM 0 HA3 GLY B 85 7.285 -2.410 -1.648 1.00 65.13 H new ATOM 1483 N LYS B 86 9.267 -0.463 -2.636 1.00 23.23 N ATOM 1484 CA LYS B 86 10.652 -0.116 -3.019 1.00 44.03 C ATOM 1485 C LYS B 86 10.995 1.328 -2.609 1.00 34.21 C ATOM 1486 O LYS B 86 12.178 1.677 -2.533 1.00 73.11 O ATOM 1487 CB LYS B 86 10.893 -0.353 -4.544 1.00 10.40 C ATOM 1488 CG LYS B 86 10.047 0.520 -5.484 1.00 1.32 C ATOM 1489 CD LYS B 86 10.289 0.230 -6.979 1.00 42.50 C ATOM 1490 CE LYS B 86 9.480 1.165 -7.899 1.00 43.14 C ATOM 1491 NZ LYS B 86 9.892 2.588 -7.756 1.00 3.44 N ATOM 0 H LYS B 86 8.563 -0.173 -3.315 1.00 23.23 H new ATOM 0 HA LYS B 86 11.326 -0.779 -2.476 1.00 44.03 H new ATOM 0 HB2 LYS B 86 11.947 -0.177 -4.761 1.00 10.40 H new ATOM 0 HB3 LYS B 86 10.692 -1.401 -4.769 1.00 10.40 H new ATOM 0 HG2 LYS B 86 8.992 0.365 -5.259 1.00 1.32 H new ATOM 0 HG3 LYS B 86 10.265 1.569 -5.286 1.00 1.32 H new ATOM 0 HD2 LYS B 86 11.351 0.338 -7.200 1.00 42.50 H new ATOM 0 HD3 LYS B 86 10.023 -0.805 -7.193 1.00 42.50 H new ATOM 0 HE2 LYS B 86 9.609 0.853 -8.935 1.00 43.14 H new ATOM 0 HE3 LYS B 86 8.419 1.071 -7.668 1.00 43.14 H new ATOM 0 HZ1 LYS B 86 9.358 3.173 -8.429 1.00 3.44 H new ATOM 0 HZ2 LYS B 86 9.697 2.910 -6.786 1.00 3.44 H new ATOM 0 HZ3 LYS B 86 10.909 2.676 -7.952 1.00 3.44 H new ATOM 1505 N GLU B 87 9.964 2.168 -2.326 1.00 75.10 N ATOM 1506 CA GLU B 87 10.188 3.540 -1.811 1.00 62.43 C ATOM 1507 C GLU B 87 10.500 3.511 -0.299 1.00 34.15 C ATOM 1508 O GLU B 87 10.997 4.498 0.238 1.00 32.35 O ATOM 1509 CB GLU B 87 8.969 4.486 -2.066 1.00 23.41 C ATOM 1510 CG GLU B 87 8.339 4.453 -3.473 1.00 4.14 C ATOM 1511 CD GLU B 87 9.307 4.667 -4.663 1.00 44.23 C ATOM 1512 OE1 GLU B 87 10.038 3.734 -5.035 1.00 12.35 O ATOM 1513 OE2 GLU B 87 9.294 5.752 -5.277 1.00 64.21 O ATOM 0 H GLU B 87 8.982 1.920 -2.445 1.00 75.10 H new ATOM 0 HA GLU B 87 11.041 3.938 -2.360 1.00 62.43 H new ATOM 0 HB2 GLU B 87 8.193 4.241 -1.341 1.00 23.41 H new ATOM 0 HB3 GLU B 87 9.285 5.509 -1.860 1.00 23.41 H new ATOM 0 HG2 GLU B 87 7.844 3.491 -3.604 1.00 4.14 H new ATOM 0 HG3 GLU B 87 7.565 5.219 -3.519 1.00 4.14 H new ATOM 1520 N ILE B 88 10.216 2.367 0.365 1.00 34.00 N ATOM 1521 CA ILE B 88 10.426 2.175 1.820 1.00 42.11 C ATOM 1522 C ILE B 88 11.910 2.324 2.200 1.00 65.30 C ATOM 1523 O ILE B 88 12.236 2.975 3.194 1.00 11.32 O ATOM 1524 CB ILE B 88 9.917 0.756 2.289 1.00 62.22 C ATOM 1525 CG1 ILE B 88 8.392 0.624 2.043 1.00 62.14 C ATOM 1526 CG2 ILE B 88 10.273 0.471 3.777 1.00 42.21 C ATOM 1527 CD1 ILE B 88 7.822 -0.746 2.320 1.00 32.11 C ATOM 0 H ILE B 88 9.831 1.543 -0.098 1.00 34.00 H new ATOM 0 HA ILE B 88 9.849 2.950 2.324 1.00 42.11 H new ATOM 0 HB ILE B 88 10.433 0.004 1.692 1.00 62.22 H new ATOM 0 HG12 ILE B 88 7.873 1.351 2.668 1.00 62.14 H new ATOM 0 HG13 ILE B 88 8.181 0.887 1.006 1.00 62.14 H new ATOM 0 HG21 ILE B 88 9.904 -0.516 4.057 1.00 42.21 H new ATOM 0 HG22 ILE B 88 11.355 0.503 3.905 1.00 42.21 H new ATOM 0 HG23 ILE B 88 9.810 1.225 4.413 1.00 42.21 H new ATOM 0 HD11 ILE B 88 6.751 -0.742 2.120 1.00 32.11 H new ATOM 0 HD12 ILE B 88 8.308 -1.479 1.677 1.00 32.11 H new ATOM 0 HD13 ILE B 88 7.995 -1.008 3.364 1.00 32.11 H new ATOM 1539 N ARG B 89 12.792 1.701 1.398 1.00 42.42 N ATOM 1540 CA ARG B 89 14.235 1.638 1.682 1.00 63.42 C ATOM 1541 C ARG B 89 14.897 3.056 1.681 1.00 25.45 C ATOM 1542 O ARG B 89 15.536 3.411 2.683 1.00 11.10 O ATOM 1543 CB ARG B 89 14.921 0.659 0.690 1.00 12.42 C ATOM 1544 CG ARG B 89 16.429 0.450 0.907 1.00 32.32 C ATOM 1545 CD ARG B 89 17.045 -0.506 -0.129 1.00 25.53 C ATOM 1546 NE ARG B 89 18.405 -0.928 0.257 1.00 41.42 N ATOM 1547 CZ ARG B 89 19.041 -2.003 -0.225 1.00 25.54 C ATOM 1548 NH1 ARG B 89 18.463 -2.795 -1.129 1.00 31.55 N ATOM 1549 NH2 ARG B 89 20.252 -2.302 0.224 1.00 34.42 N ATOM 0 H ARG B 89 12.524 1.228 0.535 1.00 42.42 H new ATOM 0 HA ARG B 89 14.375 1.251 2.691 1.00 63.42 H new ATOM 0 HB2 ARG B 89 14.424 -0.309 0.758 1.00 12.42 H new ATOM 0 HB3 ARG B 89 14.765 1.027 -0.324 1.00 12.42 H new ATOM 0 HG2 ARG B 89 16.937 1.413 0.856 1.00 32.32 H new ATOM 0 HG3 ARG B 89 16.597 0.053 1.908 1.00 32.32 H new ATOM 0 HD2 ARG B 89 16.409 -1.384 -0.237 1.00 25.53 H new ATOM 0 HD3 ARG B 89 17.079 -0.015 -1.102 1.00 25.53 H new ATOM 0 HE ARG B 89 18.898 -0.357 0.943 1.00 41.42 H new ATOM 0 HH11 ARG B 89 17.522 -2.586 -1.463 1.00 31.55 H new ATOM 0 HH12 ARG B 89 18.962 -3.610 -1.486 1.00 31.55 H new ATOM 0 HH21 ARG B 89 20.693 -1.715 0.932 1.00 34.42 H new ATOM 0 HH22 ARG B 89 20.743 -3.119 -0.138 1.00 34.42 H new ATOM 1563 N PRO B 90 14.762 3.904 0.592 1.00 63.51 N ATOM 1564 CA PRO B 90 15.299 5.287 0.613 1.00 2.04 C ATOM 1565 C PRO B 90 14.589 6.187 1.661 1.00 4.35 C ATOM 1566 O PRO B 90 15.243 7.040 2.260 1.00 33.13 O ATOM 1567 CB PRO B 90 15.124 5.780 -0.848 1.00 50.24 C ATOM 1568 CG PRO B 90 14.030 4.931 -1.413 1.00 41.24 C ATOM 1569 CD PRO B 90 14.151 3.590 -0.733 1.00 43.55 C ATOM 0 HA PRO B 90 16.342 5.326 0.927 1.00 2.04 H new ATOM 0 HB2 PRO B 90 14.860 6.837 -0.879 1.00 50.24 H new ATOM 0 HB3 PRO B 90 16.047 5.665 -1.417 1.00 50.24 H new ATOM 0 HG2 PRO B 90 13.053 5.377 -1.225 1.00 41.24 H new ATOM 0 HG3 PRO B 90 14.132 4.831 -2.494 1.00 41.24 H new ATOM 0 HD2 PRO B 90 13.178 3.112 -0.619 1.00 43.55 H new ATOM 0 HD3 PRO B 90 14.776 2.907 -1.308 1.00 43.55 H new ATOM 1577 N THR B 91 13.269 5.968 1.904 1.00 14.51 N ATOM 1578 CA THR B 91 12.521 6.658 2.995 1.00 61.24 C ATOM 1579 C THR B 91 13.205 6.414 4.361 1.00 21.10 C ATOM 1580 O THR B 91 13.496 7.356 5.111 1.00 3.33 O ATOM 1581 CB THR B 91 11.032 6.174 3.054 1.00 71.32 C ATOM 1582 OG1 THR B 91 10.363 6.570 1.855 1.00 33.23 O ATOM 1583 CG2 THR B 91 10.262 6.723 4.274 1.00 72.24 C ATOM 0 H THR B 91 12.699 5.320 1.360 1.00 14.51 H new ATOM 0 HA THR B 91 12.529 7.726 2.777 1.00 61.24 H new ATOM 0 HB THR B 91 11.051 5.089 3.154 1.00 71.32 H new ATOM 0 HG1 THR B 91 10.484 5.880 1.170 1.00 33.23 H new ATOM 0 HG21 THR B 91 9.238 6.350 4.256 1.00 72.24 H new ATOM 0 HG22 THR B 91 10.751 6.394 5.191 1.00 72.24 H new ATOM 0 HG23 THR B 91 10.253 7.812 4.238 1.00 72.24 H new ATOM 1591 N TYR B 92 13.489 5.130 4.633 1.00 31.14 N ATOM 1592 CA TYR B 92 14.164 4.672 5.852 1.00 13.11 C ATOM 1593 C TYR B 92 15.600 5.220 5.931 1.00 23.21 C ATOM 1594 O TYR B 92 16.136 5.404 7.024 1.00 73.03 O ATOM 1595 CB TYR B 92 14.164 3.116 5.913 1.00 72.12 C ATOM 1596 CG TYR B 92 14.746 2.540 7.210 1.00 54.22 C ATOM 1597 CD1 TYR B 92 14.063 2.668 8.419 1.00 40.04 C ATOM 1598 CD2 TYR B 92 15.981 1.880 7.234 1.00 42.01 C ATOM 1599 CE1 TYR B 92 14.579 2.161 9.587 1.00 63.52 C ATOM 1600 CE2 TYR B 92 16.499 1.375 8.408 1.00 41.44 C ATOM 1601 CZ TYR B 92 15.797 1.518 9.581 1.00 50.50 C ATOM 1602 OH TYR B 92 16.314 1.017 10.752 1.00 1.11 O ATOM 0 H TYR B 92 13.250 4.369 3.998 1.00 31.14 H new ATOM 0 HA TYR B 92 13.615 5.056 6.712 1.00 13.11 H new ATOM 0 HB2 TYR B 92 13.141 2.759 5.796 1.00 72.12 H new ATOM 0 HB3 TYR B 92 14.735 2.730 5.068 1.00 72.12 H new ATOM 0 HD1 TYR B 92 13.110 3.176 8.438 1.00 40.04 H new ATOM 0 HD2 TYR B 92 16.538 1.764 6.316 1.00 42.01 H new ATOM 0 HE1 TYR B 92 14.029 2.267 10.511 1.00 63.52 H new ATOM 0 HE2 TYR B 92 17.453 0.869 8.406 1.00 41.44 H new ATOM 0 HH TYR B 92 17.179 0.593 10.573 1.00 1.11 H new ATOM 1612 N ALA B 93 16.204 5.491 4.761 1.00 24.41 N ATOM 1613 CA ALA B 93 17.566 6.042 4.660 1.00 71.22 C ATOM 1614 C ALA B 93 17.586 7.576 4.822 1.00 0.53 C ATOM 1615 O ALA B 93 18.648 8.197 4.726 1.00 14.10 O ATOM 1616 CB ALA B 93 18.176 5.626 3.318 1.00 24.10 C ATOM 0 H ALA B 93 15.760 5.333 3.856 1.00 24.41 H new ATOM 0 HA ALA B 93 18.163 5.637 5.477 1.00 71.22 H new ATOM 0 HB1 ALA B 93 19.185 6.030 3.236 1.00 24.10 H new ATOM 0 HB2 ALA B 93 18.215 4.538 3.258 1.00 24.10 H new ATOM 0 HB3 ALA B 93 17.563 6.013 2.504 1.00 24.10 H new ATOM 1622 N GLY B 94 16.406 8.185 5.081 1.00 70.42 N ATOM 1623 CA GLY B 94 16.294 9.632 5.312 1.00 43.43 C ATOM 1624 C GLY B 94 16.056 10.471 4.056 1.00 5.15 C ATOM 1625 O GLY B 94 16.140 11.700 4.123 1.00 71.33 O ATOM 0 H GLY B 94 15.517 7.688 5.134 1.00 70.42 H new ATOM 0 HA2 GLY B 94 15.476 9.811 6.010 1.00 43.43 H new ATOM 0 HA3 GLY B 94 17.207 9.979 5.795 1.00 43.43 H new ATOM 1629 N SER B 95 15.760 9.824 2.915 1.00 31.51 N ATOM 1630 CA SER B 95 15.407 10.523 1.656 1.00 45.15 C ATOM 1631 C SER B 95 13.941 11.037 1.681 1.00 53.40 C ATOM 1632 O SER B 95 13.001 10.235 1.609 1.00 1.41 O ATOM 1633 CB SER B 95 15.617 9.570 0.456 1.00 72.40 C ATOM 1634 OG SER B 95 16.929 9.041 0.442 1.00 3.41 O ATOM 0 H SER B 95 15.757 8.807 2.834 1.00 31.51 H new ATOM 0 HA SER B 95 16.060 11.390 1.554 1.00 45.15 H new ATOM 0 HB2 SER B 95 14.895 8.755 0.506 1.00 72.40 H new ATOM 0 HB3 SER B 95 15.429 10.106 -0.474 1.00 72.40 H new ATOM 0 HG SER B 95 17.032 8.441 -0.326 1.00 3.41 H new ATOM 1640 N LYS B 96 13.775 12.376 1.821 1.00 34.43 N ATOM 1641 CA LYS B 96 12.452 13.054 1.891 1.00 74.41 C ATOM 1642 C LYS B 96 11.609 12.928 0.602 1.00 72.20 C ATOM 1643 O LYS B 96 10.389 12.795 0.682 1.00 72.22 O ATOM 1644 CB LYS B 96 12.648 14.551 2.257 1.00 43.12 C ATOM 1645 CG LYS B 96 13.523 15.363 1.269 1.00 43.43 C ATOM 1646 CD LYS B 96 13.844 16.794 1.781 1.00 15.15 C ATOM 1647 CE LYS B 96 12.590 17.666 1.994 1.00 14.42 C ATOM 1648 NZ LYS B 96 12.932 18.984 2.607 1.00 62.02 N ATOM 0 H LYS B 96 14.561 13.023 1.889 1.00 34.43 H new ATOM 0 HA LYS B 96 11.886 12.540 2.668 1.00 74.41 H new ATOM 0 HB2 LYS B 96 11.668 15.024 2.322 1.00 43.12 H new ATOM 0 HB3 LYS B 96 13.097 14.610 3.248 1.00 43.12 H new ATOM 0 HG2 LYS B 96 14.456 14.828 1.093 1.00 43.43 H new ATOM 0 HG3 LYS B 96 13.010 15.432 0.310 1.00 43.43 H new ATOM 0 HD2 LYS B 96 14.390 16.721 2.721 1.00 15.15 H new ATOM 0 HD3 LYS B 96 14.503 17.288 1.067 1.00 15.15 H new ATOM 0 HE2 LYS B 96 12.092 17.827 1.038 1.00 14.42 H new ATOM 0 HE3 LYS B 96 11.884 17.138 2.636 1.00 14.42 H new ATOM 0 HZ1 LYS B 96 12.064 19.543 2.735 1.00 62.02 H new ATOM 0 HZ2 LYS B 96 13.384 18.830 3.531 1.00 62.02 H new ATOM 0 HZ3 LYS B 96 13.586 19.498 1.983 1.00 62.02 H new ATOM 1662 N SER B 97 12.257 13.003 -0.570 1.00 33.02 N ATOM 1663 CA SER B 97 11.573 12.884 -1.874 1.00 1.34 C ATOM 1664 C SER B 97 11.029 11.457 -2.094 1.00 1.23 C ATOM 1665 O SER B 97 9.952 11.283 -2.666 1.00 42.14 O ATOM 1666 CB SER B 97 12.524 13.290 -3.018 1.00 63.30 C ATOM 1667 OG SER B 97 12.940 14.640 -2.878 1.00 63.12 O ATOM 0 H SER B 97 13.264 13.147 -0.645 1.00 33.02 H new ATOM 0 HA SER B 97 10.721 13.564 -1.872 1.00 1.34 H new ATOM 0 HB2 SER B 97 13.396 12.635 -3.021 1.00 63.30 H new ATOM 0 HB3 SER B 97 12.023 13.158 -3.977 1.00 63.30 H new ATOM 0 HG SER B 97 13.544 14.874 -3.614 1.00 63.12 H new ATOM 1673 N ALA B 98 11.794 10.444 -1.648 1.00 24.42 N ATOM 1674 CA ALA B 98 11.357 9.039 -1.654 1.00 50.53 C ATOM 1675 C ALA B 98 10.246 8.792 -0.623 1.00 31.33 C ATOM 1676 O ALA B 98 9.385 7.935 -0.823 1.00 60.41 O ATOM 1677 CB ALA B 98 12.544 8.133 -1.378 1.00 23.14 C ATOM 0 H ALA B 98 12.733 10.578 -1.273 1.00 24.42 H new ATOM 0 HA ALA B 98 10.949 8.812 -2.639 1.00 50.53 H new ATOM 0 HB1 ALA B 98 12.217 7.093 -1.383 1.00 23.14 H new ATOM 0 HB2 ALA B 98 13.300 8.279 -2.149 1.00 23.14 H new ATOM 0 HB3 ALA B 98 12.968 8.375 -0.403 1.00 23.14 H new ATOM 1683 N MET B 99 10.301 9.548 0.491 1.00 11.43 N ATOM 1684 CA MET B 99 9.257 9.546 1.529 1.00 74.53 C ATOM 1685 C MET B 99 7.957 10.167 0.982 1.00 13.24 C ATOM 1686 O MET B 99 6.862 9.713 1.311 1.00 11.52 O ATOM 1687 CB MET B 99 9.785 10.282 2.790 1.00 14.32 C ATOM 1688 CG MET B 99 8.803 10.368 3.971 1.00 2.11 C ATOM 1689 SD MET B 99 7.556 11.658 3.773 1.00 25.33 S ATOM 1690 CE MET B 99 8.582 13.124 3.752 1.00 2.44 C ATOM 0 H MET B 99 11.076 10.180 0.695 1.00 11.43 H new ATOM 0 HA MET B 99 9.017 8.523 1.818 1.00 74.53 H new ATOM 0 HB2 MET B 99 10.690 9.779 3.130 1.00 14.32 H new ATOM 0 HB3 MET B 99 10.071 11.294 2.504 1.00 14.32 H new ATOM 0 HG2 MET B 99 8.304 9.406 4.090 1.00 2.11 H new ATOM 0 HG3 MET B 99 9.364 10.552 4.887 1.00 2.11 H new ATOM 0 HE1 MET B 99 8.001 13.980 4.094 1.00 2.44 H new ATOM 0 HE2 MET B 99 9.437 12.979 4.412 1.00 2.44 H new ATOM 0 HE3 MET B 99 8.934 13.307 2.737 1.00 2.44 H new ATOM 1700 N GLU B 100 8.114 11.179 0.103 1.00 62.41 N ATOM 1701 CA GLU B 100 6.999 11.838 -0.601 1.00 65.35 C ATOM 1702 C GLU B 100 6.397 10.882 -1.640 1.00 72.25 C ATOM 1703 O GLU B 100 5.187 10.869 -1.839 1.00 42.24 O ATOM 1704 CB GLU B 100 7.477 13.149 -1.284 1.00 64.31 C ATOM 1705 CG GLU B 100 6.362 13.918 -2.021 1.00 13.31 C ATOM 1706 CD GLU B 100 6.858 15.182 -2.726 1.00 23.43 C ATOM 1707 OE1 GLU B 100 6.929 16.254 -2.085 1.00 51.51 O ATOM 1708 OE2 GLU B 100 7.201 15.106 -3.927 1.00 61.35 O ATOM 0 H GLU B 100 9.027 11.563 -0.139 1.00 62.41 H new ATOM 0 HA GLU B 100 6.232 12.096 0.129 1.00 65.35 H new ATOM 0 HB2 GLU B 100 7.915 13.801 -0.528 1.00 64.31 H new ATOM 0 HB3 GLU B 100 8.268 12.908 -1.994 1.00 64.31 H new ATOM 0 HG2 GLU B 100 5.901 13.258 -2.756 1.00 13.31 H new ATOM 0 HG3 GLU B 100 5.586 14.191 -1.306 1.00 13.31 H new ATOM 1715 N ARG B 101 7.268 10.082 -2.276 1.00 51.25 N ATOM 1716 CA ARG B 101 6.881 9.016 -3.220 1.00 74.34 C ATOM 1717 C ARG B 101 6.104 7.896 -2.505 1.00 72.32 C ATOM 1718 O ARG B 101 5.164 7.322 -3.060 1.00 43.45 O ATOM 1719 CB ARG B 101 8.161 8.435 -3.879 1.00 1.00 C ATOM 1720 CG ARG B 101 8.578 9.087 -5.210 1.00 15.01 C ATOM 1721 CD ARG B 101 7.601 8.749 -6.360 1.00 41.24 C ATOM 1722 NE ARG B 101 8.155 9.077 -7.684 1.00 54.23 N ATOM 1723 CZ ARG B 101 8.910 8.253 -8.429 1.00 13.31 C ATOM 1724 NH1 ARG B 101 9.223 7.030 -8.002 1.00 14.40 N ATOM 1725 NH2 ARG B 101 9.345 8.658 -9.614 1.00 52.31 N ATOM 0 H ARG B 101 8.277 10.157 -2.148 1.00 51.25 H new ATOM 0 HA ARG B 101 6.228 9.441 -3.982 1.00 74.34 H new ATOM 0 HB2 ARG B 101 8.987 8.531 -3.174 1.00 1.00 H new ATOM 0 HB3 ARG B 101 8.009 7.369 -4.049 1.00 1.00 H new ATOM 0 HG2 ARG B 101 8.626 10.169 -5.083 1.00 15.01 H new ATOM 0 HG3 ARG B 101 9.580 8.753 -5.478 1.00 15.01 H new ATOM 0 HD2 ARG B 101 7.356 7.687 -6.325 1.00 41.24 H new ATOM 0 HD3 ARG B 101 6.669 9.296 -6.214 1.00 41.24 H new ATOM 0 HE ARG B 101 7.950 10.001 -8.065 1.00 54.23 H new ATOM 0 HH11 ARG B 101 8.888 6.705 -7.095 1.00 14.40 H new ATOM 0 HH12 ARG B 101 9.798 6.419 -8.582 1.00 14.40 H new ATOM 0 HH21 ARG B 101 9.106 9.589 -9.954 1.00 52.31 H new ATOM 0 HH22 ARG B 101 9.919 8.038 -10.186 1.00 52.31 H new ATOM 1739 N LEU B 102 6.535 7.587 -1.273 1.00 73.24 N ATOM 1740 CA LEU B 102 5.929 6.542 -0.443 1.00 71.11 C ATOM 1741 C LEU B 102 4.529 6.985 0.020 1.00 11.11 C ATOM 1742 O LEU B 102 3.571 6.212 -0.070 1.00 55.40 O ATOM 1743 CB LEU B 102 6.859 6.221 0.755 1.00 73.31 C ATOM 1744 CG LEU B 102 6.397 5.083 1.717 1.00 42.12 C ATOM 1745 CD1 LEU B 102 6.139 3.764 0.971 1.00 73.20 C ATOM 1746 CD2 LEU B 102 7.421 4.883 2.842 1.00 33.40 C ATOM 0 H LEU B 102 7.319 8.060 -0.824 1.00 73.24 H new ATOM 0 HA LEU B 102 5.809 5.629 -1.026 1.00 71.11 H new ATOM 0 HB2 LEU B 102 7.841 5.956 0.362 1.00 73.31 H new ATOM 0 HB3 LEU B 102 6.985 7.131 1.341 1.00 73.31 H new ATOM 0 HG LEU B 102 5.449 5.392 2.157 1.00 42.12 H new ATOM 0 HD11 LEU B 102 5.820 3.001 1.681 1.00 73.20 H new ATOM 0 HD12 LEU B 102 5.359 3.915 0.225 1.00 73.20 H new ATOM 0 HD13 LEU B 102 7.055 3.440 0.478 1.00 73.20 H new ATOM 0 HD21 LEU B 102 7.083 4.086 3.504 1.00 33.40 H new ATOM 0 HD22 LEU B 102 8.386 4.614 2.412 1.00 33.40 H new ATOM 0 HD23 LEU B 102 7.523 5.808 3.410 1.00 33.40 H new ATOM 1758 N LYS B 103 4.424 8.258 0.468 1.00 53.44 N ATOM 1759 CA LYS B 103 3.136 8.884 0.828 1.00 25.11 C ATOM 1760 C LYS B 103 2.213 8.974 -0.394 1.00 4.34 C ATOM 1761 O LYS B 103 1.024 8.703 -0.284 1.00 23.34 O ATOM 1762 CB LYS B 103 3.349 10.296 1.435 1.00 1.33 C ATOM 1763 CG LYS B 103 4.057 10.305 2.805 1.00 54.34 C ATOM 1764 CD LYS B 103 4.215 11.732 3.378 1.00 11.21 C ATOM 1765 CE LYS B 103 2.873 12.462 3.598 1.00 73.04 C ATOM 1766 NZ LYS B 103 3.071 13.888 4.000 1.00 3.52 N ATOM 0 H LYS B 103 5.227 8.875 0.589 1.00 53.44 H new ATOM 0 HA LYS B 103 2.663 8.253 1.580 1.00 25.11 H new ATOM 0 HB2 LYS B 103 3.933 10.894 0.735 1.00 1.33 H new ATOM 0 HB3 LYS B 103 2.379 10.783 1.539 1.00 1.33 H new ATOM 0 HG2 LYS B 103 3.490 9.695 3.508 1.00 54.34 H new ATOM 0 HG3 LYS B 103 5.040 9.845 2.706 1.00 54.34 H new ATOM 0 HD2 LYS B 103 4.749 11.676 4.327 1.00 11.21 H new ATOM 0 HD3 LYS B 103 4.832 12.321 2.699 1.00 11.21 H new ATOM 0 HE2 LYS B 103 2.284 12.422 2.682 1.00 73.04 H new ATOM 0 HE3 LYS B 103 2.301 11.944 4.368 1.00 73.04 H new ATOM 0 HZ1 LYS B 103 2.145 14.342 4.138 1.00 3.52 H new ATOM 0 HZ2 LYS B 103 3.611 13.927 4.888 1.00 3.52 H new ATOM 0 HZ3 LYS B 103 3.595 14.389 3.254 1.00 3.52 H new ATOM 1780 N ARG B 104 2.800 9.328 -1.556 1.00 52.21 N ATOM 1781 CA ARG B 104 2.091 9.402 -2.852 1.00 51.43 C ATOM 1782 C ARG B 104 1.466 8.047 -3.190 1.00 73.11 C ATOM 1783 O ARG B 104 0.338 7.973 -3.692 1.00 35.31 O ATOM 1784 CB ARG B 104 3.081 9.819 -3.973 1.00 32.54 C ATOM 1785 CG ARG B 104 2.480 9.876 -5.392 1.00 65.25 C ATOM 1786 CD ARG B 104 3.491 10.317 -6.464 1.00 43.01 C ATOM 1787 NE ARG B 104 2.867 10.349 -7.802 1.00 63.50 N ATOM 1788 CZ ARG B 104 2.794 11.416 -8.611 1.00 54.41 C ATOM 1789 NH1 ARG B 104 3.301 12.594 -8.247 1.00 31.54 N ATOM 1790 NH2 ARG B 104 2.191 11.301 -9.790 1.00 20.44 N ATOM 0 H ARG B 104 3.788 9.573 -1.622 1.00 52.21 H new ATOM 0 HA ARG B 104 1.299 10.147 -2.777 1.00 51.43 H new ATOM 0 HB2 ARG B 104 3.489 10.800 -3.729 1.00 32.54 H new ATOM 0 HB3 ARG B 104 3.916 9.118 -3.977 1.00 32.54 H new ATOM 0 HG2 ARG B 104 2.090 8.892 -5.653 1.00 65.25 H new ATOM 0 HG3 ARG B 104 1.635 10.565 -5.394 1.00 65.25 H new ATOM 0 HD2 ARG B 104 3.880 11.305 -6.217 1.00 43.01 H new ATOM 0 HD3 ARG B 104 4.340 9.633 -6.471 1.00 43.01 H new ATOM 0 HE ARG B 104 2.454 9.480 -8.142 1.00 63.50 H new ATOM 0 HH11 ARG B 104 3.754 12.695 -7.339 1.00 31.54 H new ATOM 0 HH12 ARG B 104 3.236 13.394 -8.877 1.00 31.54 H new ATOM 0 HH21 ARG B 104 1.789 10.407 -10.072 1.00 20.44 H new ATOM 0 HH22 ARG B 104 2.130 12.107 -10.413 1.00 20.44 H new ATOM 1804 N GLY B 105 2.230 6.983 -2.886 1.00 71.13 N ATOM 1805 CA GLY B 105 1.780 5.621 -3.070 1.00 21.21 C ATOM 1806 C GLY B 105 0.575 5.295 -2.203 1.00 33.34 C ATOM 1807 O GLY B 105 -0.403 4.753 -2.704 1.00 31.20 O ATOM 0 H GLY B 105 3.174 7.059 -2.507 1.00 71.13 H new ATOM 0 HA2 GLY B 105 1.526 5.462 -4.118 1.00 21.21 H new ATOM 0 HA3 GLY B 105 2.593 4.936 -2.832 1.00 21.21 H new ATOM 1811 N ILE B 106 0.631 5.661 -0.906 1.00 52.45 N ATOM 1812 CA ILE B 106 -0.504 5.447 0.012 1.00 50.12 C ATOM 1813 C ILE B 106 -1.743 6.270 -0.440 1.00 3.35 C ATOM 1814 O ILE B 106 -2.842 5.765 -0.368 1.00 32.44 O ATOM 1815 CB ILE B 106 -0.121 5.718 1.537 1.00 20.11 C ATOM 1816 CG1 ILE B 106 0.582 4.472 2.189 1.00 54.34 C ATOM 1817 CG2 ILE B 106 -1.345 6.130 2.402 1.00 34.01 C ATOM 1818 CD1 ILE B 106 1.972 4.140 1.701 1.00 71.14 C ATOM 0 H ILE B 106 1.443 6.102 -0.475 1.00 52.45 H new ATOM 0 HA ILE B 106 -0.770 4.391 -0.042 1.00 50.12 H new ATOM 0 HB ILE B 106 0.576 6.556 1.518 1.00 20.11 H new ATOM 0 HG12 ILE B 106 0.630 4.634 3.266 1.00 54.34 H new ATOM 0 HG13 ILE B 106 -0.052 3.601 2.026 1.00 54.34 H new ATOM 0 HG21 ILE B 106 -1.023 6.301 3.429 1.00 34.01 H new ATOM 0 HG22 ILE B 106 -1.782 7.045 2.001 1.00 34.01 H new ATOM 0 HG23 ILE B 106 -2.089 5.334 2.383 1.00 34.01 H new ATOM 0 HD11 ILE B 106 2.343 3.262 2.229 1.00 71.14 H new ATOM 0 HD12 ILE B 106 1.943 3.934 0.631 1.00 71.14 H new ATOM 0 HD13 ILE B 106 2.635 4.984 1.890 1.00 71.14 H new ATOM 1830 N ILE B 107 -1.539 7.503 -0.965 1.00 61.30 N ATOM 1831 CA ILE B 107 -2.647 8.370 -1.461 1.00 22.21 C ATOM 1832 C ILE B 107 -3.380 7.680 -2.634 1.00 21.42 C ATOM 1833 O ILE B 107 -4.607 7.528 -2.625 1.00 4.14 O ATOM 1834 CB ILE B 107 -2.104 9.776 -1.937 1.00 31.41 C ATOM 1835 CG1 ILE B 107 -1.489 10.568 -0.743 1.00 64.25 C ATOM 1836 CG2 ILE B 107 -3.209 10.610 -2.645 1.00 45.41 C ATOM 1837 CD1 ILE B 107 -0.735 11.826 -1.139 1.00 35.44 C ATOM 0 H ILE B 107 -0.615 7.925 -1.058 1.00 61.30 H new ATOM 0 HA ILE B 107 -3.341 8.527 -0.636 1.00 22.21 H new ATOM 0 HB ILE B 107 -1.316 9.591 -2.667 1.00 31.41 H new ATOM 0 HG12 ILE B 107 -2.289 10.841 -0.055 1.00 64.25 H new ATOM 0 HG13 ILE B 107 -0.811 9.910 -0.199 1.00 64.25 H new ATOM 0 HG21 ILE B 107 -2.797 11.569 -2.957 1.00 45.41 H new ATOM 0 HG22 ILE B 107 -3.570 10.068 -3.519 1.00 45.41 H new ATOM 0 HG23 ILE B 107 -4.036 10.778 -1.955 1.00 45.41 H new ATOM 0 HD11 ILE B 107 -0.342 12.311 -0.245 1.00 35.44 H new ATOM 0 HD12 ILE B 107 0.090 11.563 -1.801 1.00 35.44 H new ATOM 0 HD13 ILE B 107 -1.411 12.508 -1.655 1.00 35.44 H new ATOM 1849 N HIS B 108 -2.570 7.260 -3.623 1.00 30.54 N ATOM 1850 CA HIS B 108 -3.038 6.624 -4.862 1.00 4.23 C ATOM 1851 C HIS B 108 -3.762 5.300 -4.545 1.00 40.33 C ATOM 1852 O HIS B 108 -4.885 5.088 -5.005 1.00 24.00 O ATOM 1853 CB HIS B 108 -1.841 6.408 -5.831 1.00 3.32 C ATOM 1854 CG HIS B 108 -2.189 5.910 -7.210 1.00 23.11 C ATOM 1855 ND1 HIS B 108 -1.243 5.408 -8.070 1.00 44.41 N ATOM 1856 CD2 HIS B 108 -3.369 5.832 -7.882 1.00 34.31 C ATOM 1857 CE1 HIS B 108 -1.814 5.048 -9.197 1.00 24.01 C ATOM 1858 NE2 HIS B 108 -3.106 5.285 -9.109 1.00 32.10 N ATOM 0 H HIS B 108 -1.555 7.356 -3.580 1.00 30.54 H new ATOM 0 HA HIS B 108 -3.756 7.279 -5.356 1.00 4.23 H new ATOM 0 HB2 HIS B 108 -1.306 7.352 -5.932 1.00 3.32 H new ATOM 0 HB3 HIS B 108 -1.152 5.698 -5.373 1.00 3.32 H new ATOM 0 HD2 HIS B 108 -4.336 6.144 -7.515 1.00 34.31 H new ATOM 0 HE1 HIS B 108 -1.308 4.628 -10.053 1.00 24.01 H new ATOM 0 HE2 HIS B 108 -3.797 5.093 -9.835 1.00 32.10 H new ATOM 1867 N ALA B 109 -3.133 4.458 -3.708 1.00 1.34 N ATOM 1868 CA ALA B 109 -3.678 3.141 -3.324 1.00 53.34 C ATOM 1869 C ALA B 109 -4.982 3.292 -2.521 1.00 75.31 C ATOM 1870 O ALA B 109 -5.932 2.544 -2.732 1.00 15.14 O ATOM 1871 CB ALA B 109 -2.644 2.356 -2.509 1.00 11.13 C ATOM 0 H ALA B 109 -2.233 4.669 -3.278 1.00 1.34 H new ATOM 0 HA ALA B 109 -3.904 2.591 -4.237 1.00 53.34 H new ATOM 0 HB1 ALA B 109 -3.059 1.387 -2.232 1.00 11.13 H new ATOM 0 HB2 ALA B 109 -1.745 2.209 -3.107 1.00 11.13 H new ATOM 0 HB3 ALA B 109 -2.392 2.914 -1.607 1.00 11.13 H new ATOM 1877 N ARG B 110 -5.001 4.300 -1.634 1.00 72.21 N ATOM 1878 CA ARG B 110 -6.150 4.627 -0.763 1.00 1.14 C ATOM 1879 C ARG B 110 -7.388 4.980 -1.603 1.00 42.34 C ATOM 1880 O ARG B 110 -8.490 4.463 -1.371 1.00 53.10 O ATOM 1881 CB ARG B 110 -5.760 5.830 0.134 1.00 54.03 C ATOM 1882 CG ARG B 110 -6.812 6.260 1.159 1.00 61.11 C ATOM 1883 CD ARG B 110 -7.033 5.223 2.263 1.00 24.42 C ATOM 1884 NE ARG B 110 -8.067 5.675 3.199 1.00 3.13 N ATOM 1885 CZ ARG B 110 -8.461 5.015 4.284 1.00 13.53 C ATOM 1886 NH1 ARG B 110 -7.926 3.838 4.593 1.00 44.14 N ATOM 1887 NH2 ARG B 110 -9.417 5.521 5.043 1.00 42.25 N ATOM 0 H ARG B 110 -4.206 4.924 -1.497 1.00 72.21 H new ATOM 0 HA ARG B 110 -6.396 3.761 -0.148 1.00 1.14 H new ATOM 0 HB2 ARG B 110 -4.842 5.581 0.666 1.00 54.03 H new ATOM 0 HB3 ARG B 110 -5.536 6.681 -0.509 1.00 54.03 H new ATOM 0 HG2 ARG B 110 -6.506 7.204 1.611 1.00 61.11 H new ATOM 0 HG3 ARG B 110 -7.756 6.443 0.647 1.00 61.11 H new ATOM 0 HD2 ARG B 110 -7.327 4.271 1.821 1.00 24.42 H new ATOM 0 HD3 ARG B 110 -6.100 5.051 2.799 1.00 24.42 H new ATOM 0 HE ARG B 110 -8.520 6.567 3.002 1.00 3.13 H new ATOM 0 HH11 ARG B 110 -7.206 3.433 3.995 1.00 44.14 H new ATOM 0 HH12 ARG B 110 -8.236 3.340 5.428 1.00 44.14 H new ATOM 0 HH21 ARG B 110 -9.847 6.412 4.795 1.00 42.25 H new ATOM 0 HH22 ARG B 110 -9.725 5.021 5.877 1.00 42.25 H new ATOM 1901 N ALA B 111 -7.154 5.854 -2.598 1.00 1.53 N ATOM 1902 CA ALA B 111 -8.185 6.350 -3.510 1.00 4.00 C ATOM 1903 C ALA B 111 -8.713 5.218 -4.411 1.00 41.42 C ATOM 1904 O ALA B 111 -9.904 5.178 -4.722 1.00 12.42 O ATOM 1905 CB ALA B 111 -7.616 7.500 -4.347 1.00 10.14 C ATOM 0 H ALA B 111 -6.228 6.237 -2.789 1.00 1.53 H new ATOM 0 HA ALA B 111 -9.027 6.721 -2.926 1.00 4.00 H new ATOM 0 HB1 ALA B 111 -8.384 7.870 -5.027 1.00 10.14 H new ATOM 0 HB2 ALA B 111 -7.296 8.307 -3.687 1.00 10.14 H new ATOM 0 HB3 ALA B 111 -6.763 7.143 -4.923 1.00 10.14 H new ATOM 1911 N LEU B 112 -7.802 4.287 -4.783 1.00 1.34 N ATOM 1912 CA LEU B 112 -8.127 3.120 -5.633 1.00 12.14 C ATOM 1913 C LEU B 112 -9.048 2.139 -4.898 1.00 43.41 C ATOM 1914 O LEU B 112 -10.058 1.719 -5.455 1.00 12.13 O ATOM 1915 CB LEU B 112 -6.844 2.392 -6.110 1.00 32.43 C ATOM 1916 CG LEU B 112 -6.013 3.132 -7.202 1.00 3.23 C ATOM 1917 CD1 LEU B 112 -4.644 2.471 -7.375 1.00 3.11 C ATOM 1918 CD2 LEU B 112 -6.777 3.200 -8.548 1.00 41.33 C ATOM 0 H LEU B 112 -6.822 4.325 -4.502 1.00 1.34 H new ATOM 0 HA LEU B 112 -8.652 3.497 -6.510 1.00 12.14 H new ATOM 0 HB2 LEU B 112 -6.203 2.221 -5.245 1.00 32.43 H new ATOM 0 HB3 LEU B 112 -7.126 1.413 -6.496 1.00 32.43 H new ATOM 0 HG LEU B 112 -5.857 4.158 -6.867 1.00 3.23 H new ATOM 0 HD11 LEU B 112 -4.078 3.001 -8.141 1.00 3.11 H new ATOM 0 HD12 LEU B 112 -4.100 2.508 -6.431 1.00 3.11 H new ATOM 0 HD13 LEU B 112 -4.777 1.432 -7.676 1.00 3.11 H new ATOM 0 HD21 LEU B 112 -6.168 3.722 -9.286 1.00 41.33 H new ATOM 0 HD22 LEU B 112 -6.986 2.190 -8.899 1.00 41.33 H new ATOM 0 HD23 LEU B 112 -7.716 3.736 -8.407 1.00 41.33 H new ATOM 1930 N VAL B 113 -8.696 1.797 -3.637 1.00 44.22 N ATOM 1931 CA VAL B 113 -9.482 0.846 -2.828 1.00 64.13 C ATOM 1932 C VAL B 113 -10.871 1.435 -2.520 1.00 31.25 C ATOM 1933 O VAL B 113 -11.870 0.723 -2.580 1.00 2.24 O ATOM 1934 CB VAL B 113 -8.751 0.422 -1.494 1.00 51.44 C ATOM 1935 CG1 VAL B 113 -9.572 -0.641 -0.718 1.00 41.25 C ATOM 1936 CG2 VAL B 113 -7.324 -0.099 -1.772 1.00 64.34 C ATOM 0 H VAL B 113 -7.873 2.167 -3.161 1.00 44.22 H new ATOM 0 HA VAL B 113 -9.594 -0.061 -3.422 1.00 64.13 H new ATOM 0 HB VAL B 113 -8.670 1.314 -0.873 1.00 51.44 H new ATOM 0 HG11 VAL B 113 -9.043 -0.913 0.196 1.00 41.25 H new ATOM 0 HG12 VAL B 113 -10.549 -0.231 -0.463 1.00 41.25 H new ATOM 0 HG13 VAL B 113 -9.701 -1.527 -1.340 1.00 41.25 H new ATOM 0 HG21 VAL B 113 -6.850 -0.382 -0.832 1.00 64.34 H new ATOM 0 HG22 VAL B 113 -7.375 -0.968 -2.428 1.00 64.34 H new ATOM 0 HG23 VAL B 113 -6.738 0.684 -2.252 1.00 64.34 H new ATOM 1946 N ARG B 114 -10.912 2.758 -2.261 1.00 61.02 N ATOM 1947 CA ARG B 114 -12.158 3.504 -1.982 1.00 2.45 C ATOM 1948 C ARG B 114 -13.147 3.411 -3.168 1.00 44.21 C ATOM 1949 O ARG B 114 -14.292 2.966 -3.006 1.00 42.52 O ATOM 1950 CB ARG B 114 -11.817 4.991 -1.669 1.00 60.04 C ATOM 1951 CG ARG B 114 -13.030 5.925 -1.385 1.00 13.21 C ATOM 1952 CD ARG B 114 -13.787 5.610 -0.078 1.00 30.43 C ATOM 1953 NE ARG B 114 -14.581 4.369 -0.156 1.00 33.54 N ATOM 1954 CZ ARG B 114 -14.791 3.519 0.858 1.00 62.13 C ATOM 1955 NH1 ARG B 114 -14.261 3.730 2.067 1.00 53.22 N ATOM 1956 NH2 ARG B 114 -15.539 2.445 0.660 1.00 12.55 N ATOM 0 H ARG B 114 -10.077 3.343 -2.239 1.00 61.02 H new ATOM 0 HA ARG B 114 -12.643 3.056 -1.115 1.00 2.45 H new ATOM 0 HB2 ARG B 114 -11.154 5.017 -0.804 1.00 60.04 H new ATOM 0 HB3 ARG B 114 -11.258 5.400 -2.511 1.00 60.04 H new ATOM 0 HG2 ARG B 114 -12.678 6.956 -1.347 1.00 13.21 H new ATOM 0 HG3 ARG B 114 -13.728 5.857 -2.220 1.00 13.21 H new ATOM 0 HD2 ARG B 114 -13.070 5.525 0.739 1.00 30.43 H new ATOM 0 HD3 ARG B 114 -14.448 6.443 0.162 1.00 30.43 H new ATOM 0 HE ARG B 114 -15.005 4.139 -1.055 1.00 33.54 H new ATOM 0 HH11 ARG B 114 -13.682 4.553 2.233 1.00 53.22 H new ATOM 0 HH12 ARG B 114 -14.436 3.068 2.823 1.00 53.22 H new ATOM 0 HH21 ARG B 114 -15.949 2.271 -0.258 1.00 12.55 H new ATOM 0 HH22 ARG B 114 -15.705 1.791 1.425 1.00 12.55 H new ATOM 1970 N GLU B 115 -12.674 3.810 -4.366 1.00 33.33 N ATOM 1971 CA GLU B 115 -13.511 3.876 -5.585 1.00 33.14 C ATOM 1972 C GLU B 115 -13.835 2.475 -6.131 1.00 73.04 C ATOM 1973 O GLU B 115 -14.836 2.296 -6.825 1.00 24.24 O ATOM 1974 CB GLU B 115 -12.818 4.723 -6.683 1.00 42.32 C ATOM 1975 CG GLU B 115 -11.529 4.100 -7.260 1.00 71.32 C ATOM 1976 CD GLU B 115 -10.788 5.020 -8.235 1.00 23.23 C ATOM 1977 OE1 GLU B 115 -9.992 5.865 -7.778 1.00 41.20 O ATOM 1978 OE2 GLU B 115 -11.003 4.912 -9.463 1.00 13.42 O ATOM 0 H GLU B 115 -11.706 4.095 -4.517 1.00 33.33 H new ATOM 0 HA GLU B 115 -14.449 4.355 -5.305 1.00 33.14 H new ATOM 0 HB2 GLU B 115 -13.524 4.884 -7.498 1.00 42.32 H new ATOM 0 HB3 GLU B 115 -12.579 5.703 -6.270 1.00 42.32 H new ATOM 0 HG2 GLU B 115 -10.861 3.841 -6.439 1.00 71.32 H new ATOM 0 HG3 GLU B 115 -11.781 3.171 -7.771 1.00 71.32 H new ATOM 1985 N CYS B 116 -12.975 1.488 -5.823 1.00 43.12 N ATOM 1986 CA CYS B 116 -13.180 0.104 -6.262 1.00 10.52 C ATOM 1987 C CYS B 116 -14.178 -0.597 -5.339 1.00 73.41 C ATOM 1988 O CYS B 116 -14.953 -1.404 -5.800 1.00 2.34 O ATOM 1989 CB CYS B 116 -11.856 -0.660 -6.319 1.00 15.30 C ATOM 1990 SG CYS B 116 -11.995 -2.359 -6.933 1.00 62.00 S ATOM 0 H CYS B 116 -12.130 1.628 -5.270 1.00 43.12 H new ATOM 0 HA CYS B 116 -13.591 0.120 -7.271 1.00 10.52 H new ATOM 0 HB2 CYS B 116 -11.162 -0.112 -6.957 1.00 15.30 H new ATOM 0 HB3 CYS B 116 -11.421 -0.683 -5.320 1.00 15.30 H new ATOM 0 HG CYS B 116 -10.820 -2.914 -6.943 1.00 62.00 H new ATOM 1996 N LEU B 117 -14.186 -0.234 -4.033 1.00 71.44 N ATOM 1997 CA LEU B 117 -15.199 -0.729 -3.064 1.00 40.44 C ATOM 1998 C LEU B 117 -16.629 -0.356 -3.515 1.00 32.44 C ATOM 1999 O LEU B 117 -17.593 -1.065 -3.179 1.00 72.52 O ATOM 2000 CB LEU B 117 -14.906 -0.196 -1.621 1.00 30.43 C ATOM 2001 CG LEU B 117 -13.827 -0.987 -0.802 1.00 11.24 C ATOM 2002 CD1 LEU B 117 -13.357 -0.196 0.439 1.00 25.04 C ATOM 2003 CD2 LEU B 117 -14.353 -2.384 -0.398 1.00 20.51 C ATOM 0 H LEU B 117 -13.501 0.402 -3.624 1.00 71.44 H new ATOM 0 HA LEU B 117 -15.131 -1.817 -3.038 1.00 40.44 H new ATOM 0 HB2 LEU B 117 -14.586 0.843 -1.697 1.00 30.43 H new ATOM 0 HB3 LEU B 117 -15.838 -0.202 -1.057 1.00 30.43 H new ATOM 0 HG LEU B 117 -12.961 -1.122 -1.451 1.00 11.24 H new ATOM 0 HD11 LEU B 117 -12.610 -0.777 0.980 1.00 25.04 H new ATOM 0 HD12 LEU B 117 -12.920 0.751 0.123 1.00 25.04 H new ATOM 0 HD13 LEU B 117 -14.209 -0.003 1.091 1.00 25.04 H new ATOM 0 HD21 LEU B 117 -13.586 -2.912 0.169 1.00 20.51 H new ATOM 0 HD22 LEU B 117 -15.246 -2.273 0.217 1.00 20.51 H new ATOM 0 HD23 LEU B 117 -14.598 -2.954 -1.294 1.00 20.51 H new