USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 150 HIS : no HD1:sc= 0.112 X(o=0.23,f=-0.24) USER MOD Set 1.2: A 154 TYR OH : rot 150:sc= 0.12 USER MOD Set 2.1: A 153 LYS NZ :NH3+ 144:sc= 0.372 (180deg=0) USER MOD Set 2.2: A 164 HIS : no HD1:sc= -0.34 K(o=0.032,f=-3.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.4) USER MOD Single : A 103 TYR OH : rot -137:sc= -2.11! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -7.18! C(o=-8.5!,f=-7.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 95:sc= 1.32 USER MOD Single : A 134 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 147 THR OG1 : rot -52:sc= 0.138 USER MOD Single : A 148 THR OG1 : rot -10:sc= -2.13 USER MOD Single : A 155 SER OG : rot 67:sc= -1.16! USER MOD Single : A 161 ASN : amide:sc= -0.646 K(o=-0.65,f=-4.2!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -65:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -5.667 3.844 -15.127 1.00 0.00 N ATOM 258 CA PRO A 87 -4.481 3.212 -14.541 1.00 0.00 C ATOM 259 C PRO A 87 -3.233 3.382 -15.409 1.00 0.00 C ATOM 260 O PRO A 87 -3.283 3.188 -16.625 1.00 0.00 O ATOM 261 CB PRO A 87 -4.877 1.738 -14.461 1.00 0.00 C ATOM 262 CG PRO A 87 -5.847 1.550 -15.576 1.00 0.00 C ATOM 263 CD PRO A 87 -6.595 2.850 -15.704 1.00 0.00 C ATOM 0 HA PRO A 87 -4.216 3.655 -13.581 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.010 1.088 -14.576 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.329 1.500 -13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.331 1.305 -16.504 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.530 0.727 -15.364 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.829 3.077 -16.744 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.541 2.823 -15.163 1.00 0.00 H new ATOM 271 N PRO A 88 -2.091 3.745 -14.794 1.00 0.00 N ATOM 272 CA PRO A 88 -0.828 3.938 -15.517 1.00 0.00 C ATOM 273 C PRO A 88 -0.279 2.635 -16.085 1.00 0.00 C ATOM 274 O PRO A 88 -0.980 1.623 -16.137 1.00 0.00 O ATOM 275 CB PRO A 88 0.121 4.489 -14.448 1.00 0.00 C ATOM 276 CG PRO A 88 -0.455 4.039 -13.153 1.00 0.00 C ATOM 277 CD PRO A 88 -1.943 3.999 -13.350 1.00 0.00 C ATOM 0 HA PRO A 88 -0.954 4.597 -16.376 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.133 4.107 -14.584 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.181 5.576 -14.496 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.072 3.057 -12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.187 4.724 -12.348 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.406 3.212 -12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.412 4.938 -13.057 1.00 0.00 H new ATOM 285 N ASP A 89 0.981 2.666 -16.505 1.00 0.00 N ATOM 286 CA ASP A 89 1.632 1.507 -17.059 1.00 0.00 C ATOM 287 C ASP A 89 2.410 0.768 -15.987 1.00 0.00 C ATOM 288 O ASP A 89 2.711 1.317 -14.927 1.00 0.00 O ATOM 289 CB ASP A 89 2.566 1.917 -18.198 1.00 0.00 C ATOM 290 CG ASP A 89 3.408 3.133 -17.858 1.00 0.00 C ATOM 291 OD1 ASP A 89 3.563 3.430 -16.655 1.00 0.00 O ATOM 292 OD2 ASP A 89 3.913 3.786 -18.795 1.00 0.00 O1- ATOM 0 H ASP A 89 1.570 3.498 -16.467 1.00 0.00 H new ATOM 0 HA ASP A 89 0.866 0.839 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.223 1.082 -18.442 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.975 2.128 -19.089 1.00 0.00 H new ATOM 297 N GLU A 90 2.739 -0.478 -16.277 1.00 0.00 N ATOM 298 CA GLU A 90 3.489 -1.308 -15.353 1.00 0.00 C ATOM 299 C GLU A 90 4.788 -0.624 -14.945 1.00 0.00 C ATOM 300 O GLU A 90 5.340 -0.900 -13.880 1.00 0.00 O ATOM 301 CB GLU A 90 3.788 -2.660 -15.992 1.00 0.00 C ATOM 302 CG GLU A 90 4.182 -2.576 -17.458 1.00 0.00 C ATOM 303 CD GLU A 90 4.950 -3.797 -17.927 1.00 0.00 C ATOM 304 OE1 GLU A 90 6.170 -3.866 -17.666 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 4.332 -4.684 -18.552 1.00 0.00 O ATOM 0 H GLU A 90 2.496 -0.940 -17.153 1.00 0.00 H new ATOM 0 HA GLU A 90 2.885 -1.461 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.592 -3.143 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.909 -3.297 -15.898 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.284 -2.461 -18.065 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.791 -1.686 -17.616 1.00 0.00 H new ATOM 312 N GLU A 91 5.269 0.278 -15.799 1.00 0.00 N ATOM 313 CA GLU A 91 6.497 1.013 -15.525 1.00 0.00 C ATOM 314 C GLU A 91 6.437 1.658 -14.146 1.00 0.00 C ATOM 315 O GLU A 91 7.326 1.468 -13.315 1.00 0.00 O ATOM 316 CB GLU A 91 6.718 2.089 -16.587 1.00 0.00 C ATOM 317 CG GLU A 91 6.698 1.554 -18.010 1.00 0.00 C ATOM 318 CD GLU A 91 7.757 2.192 -18.888 1.00 0.00 C ATOM 319 OE1 GLU A 91 7.857 3.438 -18.887 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 8.486 1.448 -19.575 1.00 0.00 O ATOM 0 H GLU A 91 4.825 0.516 -16.686 1.00 0.00 H new ATOM 0 HA GLU A 91 7.329 0.310 -15.550 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.947 2.853 -16.484 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.676 2.576 -16.405 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.849 0.475 -17.991 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.715 1.730 -18.447 1.00 0.00 H new ATOM 327 N LEU A 92 5.373 2.415 -13.912 1.00 0.00 N ATOM 328 CA LEU A 92 5.182 3.086 -12.634 1.00 0.00 C ATOM 329 C LEU A 92 4.741 2.092 -11.562 1.00 0.00 C ATOM 330 O LEU A 92 4.942 2.323 -10.371 1.00 0.00 O ATOM 331 CB LEU A 92 4.154 4.207 -12.774 1.00 0.00 C ATOM 332 CG LEU A 92 4.086 5.188 -11.599 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.377 4.554 -10.411 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.481 5.653 -11.203 1.00 0.00 C ATOM 0 H LEU A 92 4.629 2.579 -14.591 1.00 0.00 H new ATOM 0 HA LEU A 92 6.134 3.519 -12.328 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.376 4.769 -13.682 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.169 3.759 -12.909 1.00 0.00 H new ATOM 0 HG LEU A 92 3.513 6.059 -11.916 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.339 5.267 -9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.363 4.277 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.921 3.663 -10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.409 6.349 -10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.081 4.792 -10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.953 6.151 -12.050 1.00 0.00 H new ATOM 346 N ILE A 93 4.147 0.981 -11.993 1.00 0.00 N ATOM 347 CA ILE A 93 3.690 -0.044 -11.066 1.00 0.00 C ATOM 348 C ILE A 93 4.872 -0.767 -10.432 1.00 0.00 C ATOM 349 O ILE A 93 4.883 -1.021 -9.227 1.00 0.00 O ATOM 350 CB ILE A 93 2.785 -1.068 -11.777 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.581 -0.358 -12.398 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.328 -2.151 -10.809 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.716 -1.263 -13.243 1.00 0.00 C ATOM 0 H ILE A 93 3.973 0.771 -12.976 1.00 0.00 H new ATOM 0 HA ILE A 93 3.115 0.454 -10.285 1.00 0.00 H new ATOM 0 HB ILE A 93 3.359 -1.547 -12.570 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.973 0.073 -11.602 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.935 0.470 -13.012 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.690 -2.862 -11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.198 -2.671 -10.408 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.768 -1.696 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.118 -0.692 -13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.309 -1.674 -14.060 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.332 -2.077 -12.628 1.00 0.00 H new ATOM 365 N LYS A 94 5.868 -1.093 -11.248 1.00 0.00 N ATOM 366 CA LYS A 94 7.055 -1.781 -10.761 1.00 0.00 C ATOM 367 C LYS A 94 7.812 -0.904 -9.771 1.00 0.00 C ATOM 368 O LYS A 94 8.385 -1.398 -8.800 1.00 0.00 O ATOM 369 CB LYS A 94 7.967 -2.166 -11.928 1.00 0.00 C ATOM 370 CG LYS A 94 8.554 -3.563 -11.808 1.00 0.00 C ATOM 371 CD LYS A 94 9.360 -3.936 -13.041 1.00 0.00 C ATOM 372 CE LYS A 94 9.801 -5.389 -12.999 1.00 0.00 C ATOM 373 NZ LYS A 94 11.168 -5.541 -12.427 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.876 -0.892 -12.248 1.00 0.00 H new ATOM 0 HA LYS A 94 6.738 -2.690 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.402 -2.097 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.781 -1.444 -11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.191 -3.616 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.750 -4.285 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.761 -3.762 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.236 -3.291 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.093 -5.966 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.782 -5.803 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.430 -6.547 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.849 -5.012 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.181 -5.170 -11.456 1.00 0.00 H new ATOM 387 N LYS A 95 7.801 0.403 -10.015 1.00 0.00 N ATOM 388 CA LYS A 95 8.478 1.345 -9.133 1.00 0.00 C ATOM 389 C LYS A 95 7.812 1.354 -7.760 1.00 0.00 C ATOM 390 O LYS A 95 8.477 1.233 -6.731 1.00 0.00 O ATOM 391 CB LYS A 95 8.457 2.751 -9.735 1.00 0.00 C ATOM 392 CG LYS A 95 9.666 3.061 -10.601 1.00 0.00 C ATOM 393 CD LYS A 95 9.584 4.458 -11.196 1.00 0.00 C ATOM 394 CE LYS A 95 10.944 5.135 -11.219 1.00 0.00 C ATOM 395 NZ LYS A 95 11.634 4.952 -12.525 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.332 0.832 -10.813 1.00 0.00 H new ATOM 0 HA LYS A 95 9.515 1.029 -9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.553 2.867 -10.333 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.402 3.482 -8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.574 2.971 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.738 2.327 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.188 4.400 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.886 5.061 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.823 6.200 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.565 4.729 -10.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.558 5.429 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.773 3.937 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.054 5.362 -13.285 1.00 0.00 H new ATOM 409 N LEU A 96 6.489 1.489 -7.758 1.00 0.00 N ATOM 410 CA LEU A 96 5.720 1.504 -6.520 1.00 0.00 C ATOM 411 C LEU A 96 5.940 0.216 -5.735 1.00 0.00 C ATOM 412 O LEU A 96 6.378 0.241 -4.584 1.00 0.00 O ATOM 413 CB LEU A 96 4.231 1.675 -6.826 1.00 0.00 C ATOM 414 CG LEU A 96 3.657 3.049 -6.505 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.702 3.500 -7.600 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.958 3.028 -5.156 1.00 0.00 C ATOM 0 H LEU A 96 5.927 1.590 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 96 6.061 2.345 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.068 1.469 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.673 0.925 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 96 4.478 3.764 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.303 4.483 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.236 3.554 -8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.882 2.786 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.553 4.017 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.147 2.301 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.672 2.752 -4.380 1.00 0.00 H new ATOM 428 N VAL A 97 5.630 -0.910 -6.369 1.00 0.00 N ATOM 429 CA VAL A 97 5.788 -2.216 -5.742 1.00 0.00 C ATOM 430 C VAL A 97 7.195 -2.389 -5.178 1.00 0.00 C ATOM 431 O VAL A 97 7.376 -2.935 -4.090 1.00 0.00 O ATOM 432 CB VAL A 97 5.497 -3.351 -6.741 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.494 -3.330 -7.886 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.510 -4.699 -6.039 1.00 0.00 C ATOM 0 H VAL A 97 5.266 -0.943 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 97 5.068 -2.269 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 97 4.502 -3.193 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.269 -4.141 -8.579 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.427 -2.376 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.502 -3.458 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.302 -5.488 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.489 -4.866 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.748 -4.711 -5.260 1.00 0.00 H new ATOM 444 N ASP A 98 8.188 -1.912 -5.924 1.00 0.00 N ATOM 445 CA ASP A 98 9.577 -2.007 -5.494 1.00 0.00 C ATOM 446 C ASP A 98 9.770 -1.323 -4.145 1.00 0.00 C ATOM 447 O ASP A 98 10.669 -1.676 -3.381 1.00 0.00 O ATOM 448 CB ASP A 98 10.501 -1.373 -6.535 1.00 0.00 C ATOM 449 CG ASP A 98 11.948 -1.790 -6.354 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.320 -2.874 -6.849 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.709 -1.031 -5.717 1.00 0.00 O1- ATOM 0 H ASP A 98 8.055 -1.457 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 98 9.830 -3.062 -5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.167 -1.655 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.428 -0.287 -6.469 1.00 0.00 H new ATOM 456 N GLN A 99 8.915 -0.346 -3.856 1.00 0.00 N ATOM 457 CA GLN A 99 8.989 0.383 -2.598 1.00 0.00 C ATOM 458 C GLN A 99 8.522 -0.493 -1.441 1.00 0.00 C ATOM 459 O GLN A 99 9.095 -0.456 -0.353 1.00 0.00 O ATOM 460 CB GLN A 99 8.141 1.657 -2.672 1.00 0.00 C ATOM 461 CG GLN A 99 8.911 2.922 -2.328 1.00 0.00 C ATOM 462 CD GLN A 99 10.176 3.077 -3.148 1.00 0.00 C ATOM 463 OE1 GLN A 99 10.199 2.769 -4.340 1.00 0.00 O ATOM 464 NE2 GLN A 99 11.239 3.555 -2.512 1.00 0.00 N ATOM 0 H GLN A 99 8.164 -0.043 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 99 10.028 0.661 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.732 1.753 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.295 1.560 -1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.270 3.788 -2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.169 2.909 -1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.175 3.798 -1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.119 3.680 -3.012 1.00 0.00 H new ATOM 473 N ILE A 100 7.479 -1.282 -1.686 1.00 0.00 N ATOM 474 CA ILE A 100 6.936 -2.166 -0.665 1.00 0.00 C ATOM 475 C ILE A 100 7.897 -3.291 -0.349 1.00 0.00 C ATOM 476 O ILE A 100 8.397 -3.403 0.771 1.00 0.00 O ATOM 477 CB ILE A 100 5.599 -2.795 -1.094 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.780 -1.835 -1.954 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.811 -3.200 0.134 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.620 -0.470 -1.333 1.00 0.00 C ATOM 0 H ILE A 100 6.995 -1.325 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 100 6.777 -1.544 0.216 1.00 0.00 H new ATOM 0 HB ILE A 100 5.814 -3.677 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.259 -1.730 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.794 -2.265 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.864 -3.645 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.384 -3.926 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.617 -2.321 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.029 0.163 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.114 -0.564 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.602 -0.021 -1.183 1.00 0.00 H new ATOM 492 N GLU A 101 8.158 -4.119 -1.351 1.00 0.00 N ATOM 493 CA GLU A 101 9.076 -5.242 -1.192 1.00 0.00 C ATOM 494 C GLU A 101 10.359 -4.779 -0.507 1.00 0.00 C ATOM 495 O GLU A 101 11.044 -5.556 0.156 1.00 0.00 O ATOM 496 CB GLU A 101 9.402 -5.865 -2.551 1.00 0.00 C ATOM 497 CG GLU A 101 10.301 -7.089 -2.461 1.00 0.00 C ATOM 498 CD GLU A 101 11.571 -6.941 -3.276 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.506 -6.260 -2.802 1.00 0.00 O ATOM 500 OE2 GLU A 101 11.633 -7.506 -4.389 1.00 0.00 O1- ATOM 0 H GLU A 101 7.749 -4.036 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 101 8.595 -5.997 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.472 -6.144 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.885 -5.116 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.562 -7.268 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.752 -7.965 -2.807 1.00 0.00 H new ATOM 507 N PHE A 102 10.653 -3.491 -0.657 1.00 0.00 N ATOM 508 CA PHE A 102 11.827 -2.893 -0.039 1.00 0.00 C ATOM 509 C PHE A 102 11.488 -2.475 1.383 1.00 0.00 C ATOM 510 O PHE A 102 12.245 -2.712 2.322 1.00 0.00 O ATOM 511 CB PHE A 102 12.285 -1.679 -0.855 1.00 0.00 C ATOM 512 CG PHE A 102 13.152 -0.714 -0.094 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.586 0.210 0.771 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.530 -0.730 -0.244 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.377 1.100 1.472 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.326 0.157 0.455 1.00 0.00 C ATOM 517 CZ PHE A 102 14.750 1.074 1.313 1.00 0.00 C ATOM 0 H PHE A 102 10.090 -2.840 -1.205 1.00 0.00 H new ATOM 0 HA PHE A 102 12.638 -3.621 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.833 -2.029 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.406 -1.149 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.514 0.234 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.986 -1.443 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.923 1.815 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.399 0.134 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.371 1.769 1.858 1.00 0.00 H new ATOM 527 N TYR A 103 10.331 -1.848 1.511 1.00 0.00 N ATOM 528 CA TYR A 103 9.838 -1.375 2.794 1.00 0.00 C ATOM 529 C TYR A 103 9.723 -2.524 3.788 1.00 0.00 C ATOM 530 O TYR A 103 10.275 -2.474 4.888 1.00 0.00 O ATOM 531 CB TYR A 103 8.470 -0.716 2.602 1.00 0.00 C ATOM 532 CG TYR A 103 7.386 -1.296 3.484 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.316 -0.948 4.820 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.445 -2.191 2.987 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.342 -1.462 5.644 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.462 -2.714 3.806 1.00 0.00 C ATOM 537 CZ TYR A 103 5.414 -2.345 5.135 1.00 0.00 C ATOM 538 OH TYR A 103 4.438 -2.863 5.955 1.00 0.00 O ATOM 0 H TYR A 103 9.707 -1.652 0.729 1.00 0.00 H new ATOM 0 HA TYR A 103 10.545 -0.647 3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.559 0.351 2.805 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.171 -0.818 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.041 -0.258 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.483 -2.481 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.305 -1.175 6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.736 -3.407 3.408 1.00 0.00 H new ATOM 0 HH TYR A 103 4.339 -3.822 5.781 1.00 0.00 H new ATOM 548 N PHE A 104 8.966 -3.542 3.398 1.00 0.00 N ATOM 549 CA PHE A 104 8.733 -4.698 4.255 1.00 0.00 C ATOM 550 C PHE A 104 9.975 -5.577 4.417 1.00 0.00 C ATOM 551 O PHE A 104 9.910 -6.624 5.061 1.00 0.00 O ATOM 552 CB PHE A 104 7.574 -5.536 3.702 1.00 0.00 C ATOM 553 CG PHE A 104 6.493 -5.817 4.708 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.809 -6.240 5.989 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.159 -5.656 4.370 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.814 -6.498 6.913 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.160 -5.913 5.290 1.00 0.00 C ATOM 558 CZ PHE A 104 4.489 -6.334 6.563 1.00 0.00 C ATOM 0 H PHE A 104 8.502 -3.591 2.491 1.00 0.00 H new ATOM 0 HA PHE A 104 8.480 -4.313 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.137 -5.016 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.967 -6.483 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.844 -6.370 6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.897 -5.326 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.073 -6.828 7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.124 -5.785 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.710 -6.535 7.284 1.00 0.00 H new ATOM 568 N SER A 105 11.111 -5.152 3.870 1.00 0.00 N ATOM 569 CA SER A 105 12.337 -5.926 4.022 1.00 0.00 C ATOM 570 C SER A 105 12.739 -5.966 5.497 1.00 0.00 C ATOM 571 O SER A 105 12.713 -4.942 6.176 1.00 0.00 O ATOM 572 CB SER A 105 13.464 -5.324 3.181 1.00 0.00 C ATOM 573 OG SER A 105 14.723 -5.849 3.565 1.00 0.00 O ATOM 0 H SER A 105 11.207 -4.293 3.328 1.00 0.00 H new ATOM 0 HA SER A 105 12.158 -6.942 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.286 -5.532 2.126 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.468 -4.240 3.295 1.00 0.00 H new ATOM 0 HG SER A 105 15.426 -5.450 3.012 1.00 0.00 H new ATOM 579 N ASP A 106 13.092 -7.153 5.991 1.00 0.00 N ATOM 580 CA ASP A 106 13.483 -7.336 7.396 1.00 0.00 C ATOM 581 C ASP A 106 14.289 -6.147 7.935 1.00 0.00 C ATOM 582 O ASP A 106 13.867 -5.456 8.869 1.00 0.00 O ATOM 583 CB ASP A 106 14.320 -8.609 7.531 1.00 0.00 C ATOM 584 CG ASP A 106 14.740 -8.884 8.963 1.00 0.00 C ATOM 585 OD1 ASP A 106 14.150 -8.276 9.882 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 15.660 -9.705 9.166 1.00 0.00 O ATOM 0 H ASP A 106 13.116 -8.010 5.438 1.00 0.00 H new ATOM 0 HA ASP A 106 12.567 -7.412 7.982 1.00 0.00 H new ATOM 0 HB2 ASP A 106 13.747 -9.457 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.209 -8.523 6.906 1.00 0.00 H new ATOM 591 N GLU A 107 15.452 -5.923 7.336 1.00 0.00 N ATOM 592 CA GLU A 107 16.337 -4.832 7.740 1.00 0.00 C ATOM 593 C GLU A 107 15.679 -3.474 7.551 1.00 0.00 C ATOM 594 O GLU A 107 16.113 -2.473 8.120 1.00 0.00 O ATOM 595 CB GLU A 107 17.618 -4.884 6.917 1.00 0.00 C ATOM 596 CG GLU A 107 18.426 -6.147 7.139 1.00 0.00 C ATOM 597 CD GLU A 107 19.125 -6.165 8.485 1.00 0.00 C ATOM 598 OE1 GLU A 107 20.270 -5.673 8.566 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 18.526 -6.671 9.458 1.00 0.00 O ATOM 0 H GLU A 107 15.808 -6.485 6.563 1.00 0.00 H new ATOM 0 HA GLU A 107 16.559 -4.959 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.365 -4.805 5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.234 -4.019 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.768 -7.013 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.169 -6.242 6.347 1.00 0.00 H new ATOM 606 N ASN A 108 14.635 -3.448 6.742 1.00 0.00 N ATOM 607 CA ASN A 108 13.912 -2.220 6.458 1.00 0.00 C ATOM 608 C ASN A 108 12.769 -2.022 7.446 1.00 0.00 C ATOM 609 O ASN A 108 12.284 -0.908 7.627 1.00 0.00 O ATOM 610 CB ASN A 108 13.383 -2.237 5.025 1.00 0.00 C ATOM 611 CG ASN A 108 13.206 -0.843 4.459 1.00 0.00 C ATOM 612 OD1 ASN A 108 12.083 -0.213 4.780 1.00 0.00 O flip ATOM 613 ND2 ASN A 108 14.069 -0.337 3.741 1.00 0.00 N flip ATOM 0 H ASN A 108 14.266 -4.271 6.266 1.00 0.00 H new ATOM 0 HA ASN A 108 14.602 -1.383 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 108 14.071 -2.798 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.427 -2.761 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 108 14.918 -0.858 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.935 0.603 3.368 1.00 0.00 H new ATOM 620 N LEU A 109 12.355 -3.106 8.098 1.00 0.00 N ATOM 621 CA LEU A 109 11.297 -3.044 9.073 1.00 0.00 C ATOM 622 C LEU A 109 11.758 -2.242 10.262 1.00 0.00 C ATOM 623 O LEU A 109 11.099 -1.293 10.686 1.00 0.00 O ATOM 624 CB LEU A 109 10.940 -4.444 9.504 1.00 0.00 C ATOM 625 CG LEU A 109 9.881 -5.122 8.655 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.535 -5.004 9.336 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.815 -4.528 7.262 1.00 0.00 C ATOM 0 H LEU A 109 12.746 -4.038 7.959 1.00 0.00 H new ATOM 0 HA LEU A 109 10.420 -2.565 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.843 -5.055 9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.593 -4.413 10.537 1.00 0.00 H new ATOM 0 HG LEU A 109 10.151 -6.173 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.775 -5.491 8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.578 -5.484 10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.281 -3.951 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.045 -5.040 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.573 -3.467 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.779 -4.649 6.769 1.00 0.00 H new ATOM 639 N GLU A 110 12.922 -2.615 10.778 1.00 0.00 N ATOM 640 CA GLU A 110 13.508 -1.931 11.886 1.00 0.00 C ATOM 641 C GLU A 110 13.650 -0.440 11.583 1.00 0.00 C ATOM 642 O GLU A 110 13.902 0.366 12.480 1.00 0.00 O ATOM 643 CB GLU A 110 14.883 -2.528 12.175 1.00 0.00 C ATOM 644 CG GLU A 110 14.911 -4.048 12.266 1.00 0.00 C ATOM 645 CD GLU A 110 16.320 -4.596 12.381 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.073 -4.116 13.255 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 16.670 -5.503 11.599 1.00 0.00 O ATOM 0 H GLU A 110 13.473 -3.400 10.430 1.00 0.00 H new ATOM 0 HA GLU A 110 12.862 -2.048 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.573 -2.212 11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.254 -2.115 13.113 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.328 -4.368 13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.431 -4.471 11.383 1.00 0.00 H new ATOM 654 N LYS A 111 13.509 -0.087 10.305 1.00 0.00 N ATOM 655 CA LYS A 111 13.644 1.291 9.870 1.00 0.00 C ATOM 656 C LYS A 111 12.348 1.823 9.255 1.00 0.00 C ATOM 657 O LYS A 111 12.250 3.007 8.933 1.00 0.00 O ATOM 658 CB LYS A 111 14.795 1.370 8.859 1.00 0.00 C ATOM 659 CG LYS A 111 14.458 2.108 7.574 1.00 0.00 C ATOM 660 CD LYS A 111 15.659 2.188 6.644 1.00 0.00 C ATOM 661 CE LYS A 111 15.561 1.173 5.518 1.00 0.00 C ATOM 662 NZ LYS A 111 16.885 0.574 5.193 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.300 -0.745 9.554 1.00 0.00 H new ATOM 0 HA LYS A 111 13.860 1.917 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.644 1.862 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.112 0.357 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.637 1.601 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.113 3.114 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.730 3.192 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.573 2.015 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.865 0.383 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.153 1.655 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.775 -0.113 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.542 1.324 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.264 0.092 6.033 1.00 0.00 H new ATOM 676 N ASP A 112 11.373 0.944 9.052 1.00 0.00 N ATOM 677 CA ASP A 112 10.121 1.344 8.424 1.00 0.00 C ATOM 678 C ASP A 112 8.897 0.920 9.228 1.00 0.00 C ATOM 679 O ASP A 112 7.954 0.325 8.696 1.00 0.00 O ATOM 680 CB ASP A 112 10.067 0.746 7.032 1.00 0.00 C ATOM 681 CG ASP A 112 9.176 1.531 6.098 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.951 1.546 6.329 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 9.700 2.129 5.136 1.00 0.00 O ATOM 0 H ASP A 112 11.425 -0.041 9.311 1.00 0.00 H new ATOM 0 HA ASP A 112 10.097 2.433 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.075 0.705 6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.707 -0.281 7.095 1.00 0.00 H new ATOM 688 N ALA A 113 8.913 1.251 10.503 1.00 0.00 N ATOM 689 CA ALA A 113 7.800 0.929 11.390 1.00 0.00 C ATOM 690 C ALA A 113 6.604 1.843 11.124 1.00 0.00 C ATOM 691 O ALA A 113 5.469 1.513 11.466 1.00 0.00 O ATOM 692 CB ALA A 113 8.236 1.036 12.843 1.00 0.00 C ATOM 0 H ALA A 113 9.683 1.744 10.954 1.00 0.00 H new ATOM 0 HA ALA A 113 7.492 -0.097 11.190 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.396 0.793 13.494 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.053 0.339 13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.572 2.052 13.048 1.00 0.00 H new ATOM 698 N PHE A 114 6.866 2.998 10.516 1.00 0.00 N ATOM 699 CA PHE A 114 5.815 3.965 10.208 1.00 0.00 C ATOM 700 C PHE A 114 4.811 3.407 9.200 1.00 0.00 C ATOM 701 O PHE A 114 3.629 3.745 9.241 1.00 0.00 O ATOM 702 CB PHE A 114 6.433 5.257 9.661 1.00 0.00 C ATOM 703 CG PHE A 114 7.472 5.014 8.605 1.00 0.00 C ATOM 704 CD1 PHE A 114 7.120 4.447 7.394 1.00 0.00 C ATOM 705 CD2 PHE A 114 8.802 5.328 8.831 1.00 0.00 C ATOM 706 CE1 PHE A 114 8.068 4.199 6.426 1.00 0.00 C ATOM 707 CE2 PHE A 114 9.758 5.087 7.864 1.00 0.00 C ATOM 708 CZ PHE A 114 9.391 4.521 6.659 1.00 0.00 C ATOM 0 H PHE A 114 7.800 3.288 10.226 1.00 0.00 H new ATOM 0 HA PHE A 114 5.280 4.177 11.134 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.643 5.883 9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.883 5.814 10.483 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.087 4.195 7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 114 9.095 5.766 9.774 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.777 3.753 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 114 10.791 5.341 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 114 10.136 4.331 5.901 1.00 0.00 H new ATOM 718 N LEU A 115 5.286 2.562 8.288 1.00 0.00 N ATOM 719 CA LEU A 115 4.425 1.974 7.265 1.00 0.00 C ATOM 720 C LEU A 115 3.704 0.744 7.807 1.00 0.00 C ATOM 721 O LEU A 115 2.520 0.542 7.539 1.00 0.00 O ATOM 722 CB LEU A 115 5.251 1.612 6.021 1.00 0.00 C ATOM 723 CG LEU A 115 4.479 1.532 4.692 1.00 0.00 C ATOM 724 CD1 LEU A 115 5.292 0.787 3.636 1.00 0.00 C ATOM 725 CD2 LEU A 115 3.129 0.857 4.884 1.00 0.00 C ATOM 0 H LEU A 115 6.262 2.269 8.237 1.00 0.00 H new ATOM 0 HA LEU A 115 3.672 2.710 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.046 2.349 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.731 0.649 6.197 1.00 0.00 H new ATOM 0 HG LEU A 115 4.309 2.552 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.726 0.743 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.232 1.311 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.499 -0.225 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.605 0.814 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.278 -0.154 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.535 1.427 5.598 1.00 0.00 H new ATOM 737 N LEU A 116 4.420 -0.076 8.573 1.00 0.00 N ATOM 738 CA LEU A 116 3.829 -1.283 9.147 1.00 0.00 C ATOM 739 C LEU A 116 3.079 -0.972 10.440 1.00 0.00 C ATOM 740 O LEU A 116 1.871 -1.186 10.537 1.00 0.00 O ATOM 741 CB LEU A 116 4.905 -2.337 9.414 1.00 0.00 C ATOM 742 CG LEU A 116 4.418 -3.791 9.385 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.461 -4.718 9.990 1.00 0.00 C ATOM 744 CD2 LEU A 116 3.091 -3.930 10.120 1.00 0.00 C ATOM 0 H LEU A 116 5.401 0.071 8.809 1.00 0.00 H new ATOM 0 HA LEU A 116 3.117 -1.676 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.696 -2.221 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.350 -2.139 10.389 1.00 0.00 H new ATOM 0 HG LEU A 116 4.265 -4.077 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.096 -5.745 9.960 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.387 -4.645 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.648 -4.429 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.764 -4.969 10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.216 -3.622 11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.342 -3.299 9.642 1.00 0.00 H new ATOM 922 N TYR A 126 -1.981 -6.419 8.844 1.00 0.00 N ATOM 923 CA TYR A 126 -1.955 -6.067 7.429 1.00 0.00 C ATOM 924 C TYR A 126 -1.719 -4.572 7.246 1.00 0.00 C ATOM 925 O TYR A 126 -2.086 -3.769 8.103 1.00 0.00 O ATOM 926 CB TYR A 126 -3.270 -6.471 6.757 1.00 0.00 C ATOM 927 CG TYR A 126 -3.443 -7.966 6.607 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.396 -8.807 7.711 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.657 -8.536 5.357 1.00 0.00 C ATOM 930 CE1 TYR A 126 -3.554 -10.173 7.576 1.00 0.00 C ATOM 931 CE2 TYR A 126 -3.816 -9.901 5.214 1.00 0.00 C ATOM 932 CZ TYR A 126 -3.764 -10.715 6.325 1.00 0.00 C ATOM 933 OH TYR A 126 -3.923 -12.075 6.186 1.00 0.00 O ATOM 0 HA TYR A 126 -1.133 -6.608 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.102 -6.075 7.339 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.321 -6.008 5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.233 -8.386 8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.700 -7.902 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -3.513 -10.813 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.980 -10.328 4.236 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.063 -12.293 5.241 1.00 0.00 H new ATOM 943 N VAL A 127 -1.113 -4.203 6.123 1.00 0.00 N ATOM 944 CA VAL A 127 -0.837 -2.805 5.829 1.00 0.00 C ATOM 945 C VAL A 127 -1.920 -2.233 4.925 1.00 0.00 C ATOM 946 O VAL A 127 -2.152 -2.736 3.828 1.00 0.00 O ATOM 947 CB VAL A 127 0.534 -2.650 5.149 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.814 -1.201 4.791 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.635 -3.209 6.037 1.00 0.00 C ATOM 0 H VAL A 127 -0.804 -4.855 5.402 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.826 -2.258 6.772 1.00 0.00 H new ATOM 0 HB VAL A 127 0.514 -3.221 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.790 -1.127 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.046 -0.840 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.807 -0.595 5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.598 -3.091 5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.647 -2.670 6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.450 -4.267 6.223 1.00 0.00 H new ATOM 959 N SER A 128 -2.584 -1.186 5.388 1.00 0.00 N ATOM 960 CA SER A 128 -3.647 -0.568 4.611 1.00 0.00 C ATOM 961 C SER A 128 -3.085 0.273 3.468 1.00 0.00 C ATOM 962 O SER A 128 -2.294 1.193 3.685 1.00 0.00 O ATOM 963 CB SER A 128 -4.533 0.295 5.512 1.00 0.00 C ATOM 964 OG SER A 128 -5.798 0.526 4.915 1.00 0.00 O ATOM 0 H SER A 128 -2.408 -0.748 6.292 1.00 0.00 H new ATOM 0 HA SER A 128 -4.249 -1.367 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.667 -0.198 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.040 1.247 5.707 1.00 0.00 H new ATOM 0 HG SER A 128 -6.345 1.078 5.512 1.00 0.00 H new ATOM 970 N VAL A 129 -3.506 -0.047 2.248 1.00 0.00 N ATOM 971 CA VAL A 129 -3.051 0.681 1.073 1.00 0.00 C ATOM 972 C VAL A 129 -3.399 2.161 1.186 1.00 0.00 C ATOM 973 O VAL A 129 -2.660 3.022 0.709 1.00 0.00 O ATOM 974 CB VAL A 129 -3.654 0.102 -0.227 1.00 0.00 C ATOM 975 CG1 VAL A 129 -5.099 0.548 -0.409 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.806 0.504 -1.425 1.00 0.00 C ATOM 0 H VAL A 129 -4.160 -0.804 2.050 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.968 0.569 1.026 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.652 -0.985 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.497 0.125 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.696 0.202 0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.140 1.636 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.241 0.090 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.774 1.591 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.794 0.119 -1.300 1.00 0.00 H new ATOM 986 N LYS A 130 -4.528 2.450 1.832 1.00 0.00 N ATOM 987 CA LYS A 130 -4.969 3.829 2.020 1.00 0.00 C ATOM 988 C LYS A 130 -3.834 4.671 2.588 1.00 0.00 C ATOM 989 O LYS A 130 -3.721 5.863 2.301 1.00 0.00 O ATOM 990 CB LYS A 130 -6.180 3.880 2.954 1.00 0.00 C ATOM 991 CG LYS A 130 -7.513 3.830 2.225 1.00 0.00 C ATOM 992 CD LYS A 130 -8.636 4.399 3.078 1.00 0.00 C ATOM 993 CE LYS A 130 -9.615 5.209 2.243 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.415 6.674 2.417 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.151 1.749 2.232 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.259 4.235 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.125 3.045 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -6.133 4.794 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.441 4.392 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.744 2.799 1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -9.166 3.585 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.216 5.030 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.496 4.949 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -10.635 4.946 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.102 7.190 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -9.553 6.927 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.450 6.930 2.125 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.984 4.030 3.385 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.844 4.696 3.982 1.00 0.00 C ATOM 1010 C LEU A 131 -0.736 4.856 2.947 1.00 0.00 C ATOM 1011 O LEU A 131 -0.067 5.888 2.890 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.348 3.894 5.191 1.00 0.00 C ATOM 1013 CG LEU A 131 0.156 3.957 5.435 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.586 5.386 5.718 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.555 3.031 6.573 1.00 0.00 C ATOM 0 H LEU A 131 -3.069 3.044 3.630 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.142 5.687 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.861 4.255 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.636 2.851 5.059 1.00 0.00 H new ATOM 0 HG LEU A 131 0.668 3.619 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.662 5.415 5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.338 6.016 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.067 5.754 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.632 3.091 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.038 3.331 7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.282 2.006 6.321 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.555 3.826 2.126 1.00 0.00 N ATOM 1028 CA LEU A 132 0.467 3.851 1.087 1.00 0.00 C ATOM 1029 C LEU A 132 0.279 5.056 0.169 1.00 0.00 C ATOM 1030 O LEU A 132 1.246 5.602 -0.362 1.00 0.00 O ATOM 1031 CB LEU A 132 0.424 2.562 0.266 1.00 0.00 C ATOM 1032 CG LEU A 132 1.080 1.352 0.927 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.531 1.144 2.329 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.868 0.108 0.080 1.00 0.00 C ATOM 0 H LEU A 132 -1.102 2.966 2.160 1.00 0.00 H new ATOM 0 HA LEU A 132 1.440 3.932 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.617 2.320 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.912 2.743 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 132 2.151 1.540 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.011 0.277 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.732 2.028 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.545 0.977 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.341 -0.747 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.200 -0.081 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.311 0.258 -0.905 1.00 0.00 H new ATOM 1046 N THR A 133 -0.972 5.466 -0.008 1.00 0.00 N ATOM 1047 CA THR A 133 -1.291 6.608 -0.857 1.00 0.00 C ATOM 1048 C THR A 133 -0.709 7.887 -0.273 1.00 0.00 C ATOM 1049 O THR A 133 -0.116 8.699 -0.984 1.00 0.00 O ATOM 1050 CB THR A 133 -2.806 6.747 -1.016 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.490 5.834 -0.175 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.269 6.501 -2.430 1.00 0.00 C ATOM 0 H THR A 133 -1.783 5.024 0.426 1.00 0.00 H new ATOM 0 HA THR A 133 -0.848 6.439 -1.838 1.00 0.00 H new ATOM 0 HB THR A 133 -3.036 7.776 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.732 6.280 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.352 6.613 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.796 7.221 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 133 -2.994 5.491 -2.732 1.00 0.00 H new ATOM 1060 N SER A 134 -0.871 8.046 1.031 1.00 0.00 N ATOM 1061 CA SER A 134 -0.354 9.212 1.734 1.00 0.00 C ATOM 1062 C SER A 134 0.974 8.872 2.402 1.00 0.00 C ATOM 1063 O SER A 134 1.353 9.474 3.407 1.00 0.00 O ATOM 1064 CB SER A 134 -1.361 9.696 2.780 1.00 0.00 C ATOM 1065 OG SER A 134 -2.251 8.657 3.151 1.00 0.00 O ATOM 0 H SER A 134 -1.359 7.378 1.628 1.00 0.00 H new ATOM 0 HA SER A 134 -0.193 10.012 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.830 10.056 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.927 10.539 2.382 1.00 0.00 H new ATOM 0 HG SER A 134 -2.883 8.991 3.821 1.00 0.00 H new ATOM 1071 N PHE A 135 1.670 7.894 1.833 1.00 0.00 N ATOM 1072 CA PHE A 135 2.953 7.450 2.359 1.00 0.00 C ATOM 1073 C PHE A 135 4.082 8.365 1.882 1.00 0.00 C ATOM 1074 O PHE A 135 4.422 8.389 0.699 1.00 0.00 O ATOM 1075 CB PHE A 135 3.198 6.002 1.930 1.00 0.00 C ATOM 1076 CG PHE A 135 4.502 5.415 2.393 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.153 5.910 3.512 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.071 4.353 1.706 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.348 5.356 3.936 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.263 3.799 2.124 1.00 0.00 C ATOM 1081 CZ PHE A 135 6.903 4.300 3.240 1.00 0.00 C ATOM 0 H PHE A 135 1.363 7.391 1.001 1.00 0.00 H new ATOM 0 HA PHE A 135 2.933 7.499 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.384 5.384 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.159 5.950 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.723 6.736 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.575 3.955 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.846 5.749 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.696 2.973 1.578 1.00 0.00 H new ATOM 0 HZ PHE A 135 7.836 3.867 3.568 1.00 0.00 H new ATOM 1091 N LYS A 136 4.638 9.132 2.817 1.00 0.00 N ATOM 1092 CA LYS A 136 5.713 10.080 2.522 1.00 0.00 C ATOM 1093 C LYS A 136 6.796 9.485 1.622 1.00 0.00 C ATOM 1094 O LYS A 136 7.457 10.213 0.881 1.00 0.00 O ATOM 1095 CB LYS A 136 6.343 10.576 3.825 1.00 0.00 C ATOM 1096 CG LYS A 136 5.459 11.538 4.602 1.00 0.00 C ATOM 1097 CD LYS A 136 5.951 11.719 6.029 1.00 0.00 C ATOM 1098 CE LYS A 136 6.806 12.967 6.171 1.00 0.00 C ATOM 1099 NZ LYS A 136 8.016 12.720 7.002 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.358 9.115 3.798 1.00 0.00 H new ATOM 0 HA LYS A 136 5.263 10.912 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.574 9.718 4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.288 11.068 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.440 12.504 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.435 11.164 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.097 11.783 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.529 10.845 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.109 13.314 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.213 13.764 6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.572 13.596 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.727 12.414 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.595 11.978 6.560 1.00 0.00 H new ATOM 1113 N LYS A 137 6.983 8.173 1.687 1.00 0.00 N ATOM 1114 CA LYS A 137 7.997 7.515 0.871 1.00 0.00 C ATOM 1115 C LYS A 137 7.483 7.286 -0.544 1.00 0.00 C ATOM 1116 O LYS A 137 8.251 7.316 -1.506 1.00 0.00 O ATOM 1117 CB LYS A 137 8.417 6.188 1.500 1.00 0.00 C ATOM 1118 CG LYS A 137 9.881 5.845 1.279 1.00 0.00 C ATOM 1119 CD LYS A 137 10.785 6.637 2.210 1.00 0.00 C ATOM 1120 CE LYS A 137 11.996 5.822 2.637 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.890 6.591 3.545 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.451 7.547 2.291 1.00 0.00 H new ATOM 0 HA LYS A 137 8.868 8.168 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.219 6.225 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.800 5.389 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.034 4.778 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.152 6.052 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.116 7.548 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.222 6.944 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 137 11.663 4.913 3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.555 5.512 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.703 6.001 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.228 7.445 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.364 6.865 4.400 1.00 0.00 H new ATOM 1135 N VAL A 138 6.180 7.070 -0.663 1.00 0.00 N ATOM 1136 CA VAL A 138 5.565 6.850 -1.963 1.00 0.00 C ATOM 1137 C VAL A 138 5.267 8.187 -2.637 1.00 0.00 C ATOM 1138 O VAL A 138 5.464 8.347 -3.841 1.00 0.00 O ATOM 1139 CB VAL A 138 4.266 6.018 -1.838 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.394 6.170 -3.076 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.597 4.552 -1.590 1.00 0.00 C ATOM 0 H VAL A 138 5.531 7.043 0.123 1.00 0.00 H new ATOM 0 HA VAL A 138 6.269 6.287 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 138 3.702 6.397 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.489 5.574 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.124 7.218 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.944 5.827 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.673 3.980 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.187 4.166 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.168 4.459 -0.666 1.00 0.00 H new ATOM 1151 N LYS A 139 4.794 9.143 -1.849 1.00 0.00 N ATOM 1152 CA LYS A 139 4.474 10.470 -2.362 1.00 0.00 C ATOM 1153 C LYS A 139 5.704 11.129 -2.974 1.00 0.00 C ATOM 1154 O LYS A 139 5.593 11.949 -3.886 1.00 0.00 O ATOM 1155 CB LYS A 139 3.933 11.357 -1.245 1.00 0.00 C ATOM 1156 CG LYS A 139 2.743 10.764 -0.509 1.00 0.00 C ATOM 1157 CD LYS A 139 2.463 11.513 0.786 1.00 0.00 C ATOM 1158 CE LYS A 139 1.242 12.411 0.658 1.00 0.00 C ATOM 1159 NZ LYS A 139 0.948 13.130 1.929 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.623 9.025 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 139 3.714 10.352 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 139 4.732 11.550 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.644 12.320 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 139 1.862 10.800 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 139 2.935 9.714 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.307 10.799 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.332 12.114 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.406 13.135 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 139 0.378 11.811 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 0.109 13.732 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 0.767 12.439 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.762 13.722 2.189 1.00 0.00 H new ATOM 1173 N HIS A 140 6.880 10.766 -2.466 1.00 0.00 N ATOM 1174 CA HIS A 140 8.133 11.322 -2.965 1.00 0.00 C ATOM 1175 C HIS A 140 8.281 11.072 -4.462 1.00 0.00 C ATOM 1176 O HIS A 140 9.100 11.705 -5.129 1.00 0.00 O ATOM 1177 CB HIS A 140 9.319 10.713 -2.213 1.00 0.00 C ATOM 1178 CG HIS A 140 10.346 11.720 -1.800 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.971 11.697 -0.570 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.860 12.786 -2.460 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.823 12.705 -0.491 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.773 13.380 -1.625 1.00 0.00 N ATOM 0 H HIS A 140 6.990 10.090 -1.710 1.00 0.00 H new ATOM 0 HA HIS A 140 8.118 12.399 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.950 10.197 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.792 9.962 -2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.600 13.108 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.452 12.937 0.356 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.324 14.209 -1.845 1.00 0.00 H new ATOM 1191 N LEU A 141 7.482 10.147 -4.985 1.00 0.00 N ATOM 1192 CA LEU A 141 7.522 9.815 -6.403 1.00 0.00 C ATOM 1193 C LEU A 141 6.753 10.842 -7.224 1.00 0.00 C ATOM 1194 O LEU A 141 7.331 11.579 -8.023 1.00 0.00 O ATOM 1195 CB LEU A 141 6.925 8.426 -6.640 1.00 0.00 C ATOM 1196 CG LEU A 141 7.305 7.364 -5.609 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.216 6.307 -5.514 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.640 6.729 -5.962 1.00 0.00 C ATOM 0 H LEU A 141 6.799 9.614 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 141 8.565 9.821 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.839 8.515 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.236 8.079 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 141 7.405 7.845 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.500 5.557 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.279 6.776 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.087 5.829 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.893 5.976 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.571 6.259 -6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.414 7.496 -5.980 1.00 0.00 H new ATOM 1210 N THR A 142 5.440 10.873 -7.023 1.00 0.00 N ATOM 1211 CA THR A 142 4.569 11.794 -7.740 1.00 0.00 C ATOM 1212 C THR A 142 3.198 11.835 -7.083 1.00 0.00 C ATOM 1213 O THR A 142 3.009 11.311 -5.985 1.00 0.00 O ATOM 1214 CB THR A 142 4.418 11.351 -9.201 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.491 10.508 -9.586 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.373 12.507 -10.177 1.00 0.00 C ATOM 0 H THR A 142 4.954 10.265 -6.364 1.00 0.00 H new ATOM 0 HA THR A 142 5.016 12.788 -7.709 1.00 0.00 H new ATOM 0 HB THR A 142 3.466 10.823 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.374 10.236 -10.520 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.265 12.123 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.525 13.150 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.296 13.082 -10.103 1.00 0.00 H new ATOM 1224 N ARG A 143 2.232 12.425 -7.776 1.00 0.00 N ATOM 1225 CA ARG A 143 0.869 12.489 -7.274 1.00 0.00 C ATOM 1226 C ARG A 143 0.099 11.271 -7.770 1.00 0.00 C ATOM 1227 O ARG A 143 -1.094 11.345 -8.060 1.00 0.00 O ATOM 1228 CB ARG A 143 0.185 13.776 -7.740 1.00 0.00 C ATOM 1229 CG ARG A 143 0.275 14.913 -6.734 1.00 0.00 C ATOM 1230 CD ARG A 143 1.230 15.999 -7.202 1.00 0.00 C ATOM 1231 NE ARG A 143 0.615 16.882 -8.190 1.00 0.00 N ATOM 1232 CZ ARG A 143 1.304 17.672 -9.009 1.00 0.00 C ATOM 1233 NH1 ARG A 143 2.630 17.694 -8.964 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 0.665 18.443 -9.879 1.00 0.00 N ATOM 0 H ARG A 143 2.369 12.865 -8.686 1.00 0.00 H new ATOM 0 HA ARG A 143 0.886 12.491 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 143 0.635 14.097 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.865 13.566 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -0.715 15.341 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.609 14.523 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 143 1.558 16.587 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 143 2.120 15.539 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 143 -0.403 16.893 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 143 3.128 17.103 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 143 3.152 18.302 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -0.354 18.430 -9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 143 1.193 19.049 -10.507 1.00 0.00 H new ATOM 1248 N ASP A 144 0.814 10.152 -7.883 1.00 0.00 N ATOM 1249 CA ASP A 144 0.240 8.907 -8.362 1.00 0.00 C ATOM 1250 C ASP A 144 -0.055 7.951 -7.212 1.00 0.00 C ATOM 1251 O ASP A 144 0.323 6.780 -7.252 1.00 0.00 O ATOM 1252 CB ASP A 144 1.202 8.252 -9.358 1.00 0.00 C ATOM 1253 CG ASP A 144 0.931 8.678 -10.788 1.00 0.00 C ATOM 1254 OD1 ASP A 144 0.369 9.777 -10.984 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 1.282 7.915 -11.711 1.00 0.00 O ATOM 0 H ASP A 144 1.804 10.089 -7.644 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.705 9.132 -8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.227 8.511 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.117 7.168 -9.282 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.745 8.449 -6.193 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.101 7.630 -5.048 1.00 0.00 C ATOM 1262 C TRP A 145 -2.223 6.677 -5.442 1.00 0.00 C ATOM 1263 O TRP A 145 -2.204 5.499 -5.087 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.485 8.528 -3.871 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.514 9.657 -3.678 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.764 9.719 -4.157 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.734 10.877 -2.961 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.351 10.901 -3.788 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.453 11.631 -3.050 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.817 11.406 -2.254 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.584 12.885 -2.459 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.685 12.651 -1.668 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.492 13.378 -1.773 1.00 0.00 C ATOM 0 H TRP A 145 -1.067 9.415 -6.139 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.250 7.027 -4.730 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.483 8.934 -4.036 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.531 7.931 -2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.243 8.948 -4.742 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.300 11.191 -4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.740 10.852 -2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.502 13.448 -2.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.516 13.070 -1.120 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.420 14.348 -1.303 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.164 7.180 -6.236 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.257 6.351 -6.742 1.00 0.00 C ATOM 1286 C ARG A 146 -3.669 5.152 -7.476 1.00 0.00 C ATOM 1287 O ARG A 146 -4.228 4.051 -7.473 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.143 7.154 -7.705 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.364 8.013 -8.694 1.00 0.00 C ATOM 1290 CD ARG A 146 -5.008 9.378 -8.883 1.00 0.00 C ATOM 1291 NE ARG A 146 -5.398 9.987 -7.612 1.00 0.00 N ATOM 1292 CZ ARG A 146 -4.532 10.465 -6.722 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -3.228 10.411 -6.958 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -4.972 11.001 -5.592 1.00 0.00 N ATOM 0 H ARG A 146 -3.193 8.152 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.868 6.018 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.777 6.463 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.804 7.797 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.341 8.139 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.307 7.501 -9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -4.312 10.037 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -5.887 9.278 -9.520 1.00 0.00 H new ATOM 0 HE ARG A 146 -6.393 10.049 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -2.883 10.001 -7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -2.570 10.779 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.974 11.047 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -4.309 11.368 -4.909 1.00 0.00 H new ATOM 1308 N THR A 147 -2.513 5.386 -8.089 1.00 0.00 N ATOM 1309 CA THR A 147 -1.808 4.349 -8.816 1.00 0.00 C ATOM 1310 C THR A 147 -1.222 3.347 -7.839 1.00 0.00 C ATOM 1311 O THR A 147 -1.068 2.171 -8.156 1.00 0.00 O ATOM 1312 CB THR A 147 -0.718 4.958 -9.706 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.526 5.005 -9.030 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.043 6.361 -10.173 1.00 0.00 C ATOM 0 H THR A 147 -2.046 6.293 -8.093 1.00 0.00 H new ATOM 0 HA THR A 147 -2.511 3.829 -9.466 1.00 0.00 H new ATOM 0 HB THR A 147 -0.663 4.304 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.410 5.444 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.232 6.734 -10.798 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.968 6.348 -10.749 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.164 7.014 -9.308 1.00 0.00 H new ATOM 1322 N THR A 148 -0.931 3.818 -6.633 1.00 0.00 N ATOM 1323 CA THR A 148 -0.397 2.957 -5.592 1.00 0.00 C ATOM 1324 C THR A 148 -1.370 1.817 -5.309 1.00 0.00 C ATOM 1325 O THR A 148 -0.971 0.739 -4.870 1.00 0.00 O ATOM 1326 CB THR A 148 -0.152 3.757 -4.313 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.542 4.959 -4.594 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.644 2.996 -3.274 1.00 0.00 C ATOM 0 H THR A 148 -1.057 4.791 -6.354 1.00 0.00 H new ATOM 0 HA THR A 148 0.551 2.543 -5.935 1.00 0.00 H new ATOM 0 HB THR A 148 -1.143 3.962 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.858 4.945 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.782 3.621 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 148 0.106 2.089 -2.996 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.617 2.729 -3.685 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.653 2.068 -5.566 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.686 1.069 -5.340 1.00 0.00 C ATOM 1338 C ALA A 149 -3.716 0.041 -6.466 1.00 0.00 C ATOM 1339 O ALA A 149 -3.579 -1.158 -6.224 1.00 0.00 O ATOM 1340 CB ALA A 149 -5.044 1.738 -5.188 1.00 0.00 C ATOM 0 H ALA A 149 -2.998 2.956 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.451 0.542 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.807 0.978 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -5.020 2.422 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.280 2.294 -6.096 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.894 0.512 -7.697 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.936 -0.387 -8.848 1.00 0.00 C ATOM 1348 C HIS A 150 -2.568 -1.005 -9.104 1.00 0.00 C ATOM 1349 O HIS A 150 -2.458 -2.196 -9.386 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.414 0.352 -10.095 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.835 0.054 -10.460 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.220 -0.351 -11.722 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.969 0.101 -9.721 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.528 -0.537 -11.742 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -8.006 -0.271 -10.541 1.00 0.00 N ATOM 0 H HIS A 150 -4.010 1.500 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.643 -1.185 -8.621 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.306 1.425 -9.935 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.769 0.088 -10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -7.044 0.379 -8.680 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.108 -0.853 -12.597 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.986 -0.332 -10.266 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.522 -0.193 -9.002 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.167 -0.685 -9.221 1.00 0.00 C ATOM 1366 C ALA A 151 0.088 -1.934 -8.382 1.00 0.00 C ATOM 1367 O ALA A 151 0.584 -2.942 -8.884 1.00 0.00 O ATOM 1368 CB ALA A 151 0.854 0.394 -8.898 1.00 0.00 C ATOM 0 H ALA A 151 -1.584 0.799 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.063 -0.949 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.859 0.007 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.685 1.259 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.751 0.691 -7.854 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.274 -1.865 -7.105 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.104 -2.989 -6.201 1.00 0.00 C ATOM 1376 C LEU A 152 -1.004 -4.137 -6.610 1.00 0.00 C ATOM 1377 O LEU A 152 -0.631 -5.305 -6.510 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.420 -2.545 -4.784 1.00 0.00 C ATOM 1379 CG LEU A 152 0.788 -2.105 -3.969 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.854 -1.477 -4.861 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.361 -1.134 -2.884 1.00 0.00 C ATOM 0 H LEU A 152 -0.688 -1.038 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 152 0.928 -3.336 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.132 -1.721 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.913 -3.365 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 152 1.223 -2.988 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.705 -1.172 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.182 -2.204 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.438 -0.605 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.233 -0.826 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.100 -0.258 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.358 -1.619 -2.224 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.185 -3.792 -7.095 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.142 -4.793 -7.557 1.00 0.00 C ATOM 1395 C LYS A 153 -2.461 -5.734 -8.553 1.00 0.00 C ATOM 1396 O LYS A 153 -2.864 -6.886 -8.716 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.353 -4.119 -8.213 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.562 -4.005 -7.299 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.857 -4.254 -8.055 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.071 -5.735 -8.322 1.00 0.00 C ATOM 1401 NZ LYS A 153 -7.880 -6.382 -7.251 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.507 -2.828 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.492 -5.367 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.066 -3.122 -8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.634 -4.683 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.472 -4.722 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.587 -3.012 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -7.696 -3.862 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.837 -3.712 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.572 -5.862 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.105 -6.233 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.498 -7.105 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.245 -6.829 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.462 -5.664 -6.774 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.411 -5.226 -9.200 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.642 -6.002 -10.168 1.00 0.00 C ATOM 1417 C TYR A 154 0.710 -6.397 -9.578 1.00 0.00 C ATOM 1418 O TYR A 154 1.657 -6.692 -10.307 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.427 -5.194 -11.449 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.697 -4.597 -12.012 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.605 -5.379 -12.713 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.986 -3.249 -11.843 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.766 -4.835 -13.230 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.144 -2.698 -12.355 1.00 0.00 C ATOM 1425 CZ TYR A 154 -4.031 -3.494 -13.048 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.184 -2.947 -13.561 1.00 0.00 O ATOM 0 H TYR A 154 -1.073 -4.273 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.204 -6.905 -10.407 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.283 -4.392 -11.247 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.026 -5.838 -12.202 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.401 -6.430 -12.857 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.293 -2.621 -11.302 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.462 -5.457 -13.774 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.354 -1.648 -12.213 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.473 -2.202 -12.994 1.00 0.00 H new ATOM 1436 N SER A 155 0.787 -6.395 -8.251 1.00 0.00 N ATOM 1437 CA SER A 155 2.006 -6.743 -7.543 1.00 0.00 C ATOM 1438 C SER A 155 1.762 -7.948 -6.656 1.00 0.00 C ATOM 1439 O SER A 155 1.148 -7.837 -5.594 1.00 0.00 O ATOM 1440 CB SER A 155 2.482 -5.561 -6.702 1.00 0.00 C ATOM 1441 OG SER A 155 2.804 -4.452 -7.521 1.00 0.00 O ATOM 0 H SER A 155 0.006 -6.152 -7.641 1.00 0.00 H new ATOM 0 HA SER A 155 2.779 -6.989 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 155 1.705 -5.279 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.356 -5.853 -6.119 1.00 0.00 H new ATOM 0 HG SER A 155 1.989 -4.109 -7.943 1.00 0.00 H new ATOM 1447 N VAL A 156 2.232 -9.098 -7.101 1.00 0.00 N ATOM 1448 CA VAL A 156 2.050 -10.326 -6.354 1.00 0.00 C ATOM 1449 C VAL A 156 3.271 -10.649 -5.496 1.00 0.00 C ATOM 1450 O VAL A 156 3.329 -11.699 -4.855 1.00 0.00 O ATOM 1451 CB VAL A 156 1.741 -11.492 -7.306 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.960 -11.849 -8.146 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.238 -12.701 -6.533 1.00 0.00 C ATOM 0 H VAL A 156 2.743 -9.206 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 156 1.203 -10.182 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 156 0.950 -11.173 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.714 -12.677 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.259 -10.984 -8.739 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.780 -12.141 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.026 -13.514 -7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.000 -13.021 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.328 -12.436 -5.995 1.00 0.00 H new ATOM 1463 N VAL A 157 4.237 -9.732 -5.469 1.00 0.00 N ATOM 1464 CA VAL A 157 5.436 -9.920 -4.667 1.00 0.00 C ATOM 1465 C VAL A 157 5.081 -9.864 -3.188 1.00 0.00 C ATOM 1466 O VAL A 157 5.641 -10.592 -2.369 1.00 0.00 O ATOM 1467 CB VAL A 157 6.500 -8.848 -4.975 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.778 -9.121 -4.194 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.781 -8.790 -6.468 1.00 0.00 C ATOM 0 H VAL A 157 4.210 -8.857 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 157 5.852 -10.896 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 157 6.113 -7.878 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.517 -8.353 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.562 -9.107 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.172 -10.099 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.534 -8.028 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.147 -9.759 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.864 -8.541 -7.002 1.00 0.00 H new ATOM 1479 N LEU A 158 4.122 -9.000 -2.863 1.00 0.00 N ATOM 1480 CA LEU A 158 3.654 -8.845 -1.495 1.00 0.00 C ATOM 1481 C LEU A 158 2.234 -9.386 -1.386 1.00 0.00 C ATOM 1482 O LEU A 158 1.555 -9.555 -2.400 1.00 0.00 O ATOM 1483 CB LEU A 158 3.673 -7.366 -1.079 1.00 0.00 C ATOM 1484 CG LEU A 158 5.054 -6.701 -1.010 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.830 -7.188 0.204 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.841 -6.953 -2.287 1.00 0.00 C ATOM 0 H LEU A 158 3.653 -8.394 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 158 4.317 -9.400 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.057 -6.804 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.201 -7.279 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 158 4.905 -5.626 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.805 -6.702 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.278 -6.943 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.964 -8.268 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.816 -6.472 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.975 -8.026 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.296 -6.542 -3.137 1.00 0.00 H new ATOM 1498 N GLU A 159 1.775 -9.644 -0.170 1.00 0.00 N ATOM 1499 CA GLU A 159 0.424 -10.145 0.023 1.00 0.00 C ATOM 1500 C GLU A 159 -0.500 -8.986 0.376 1.00 0.00 C ATOM 1501 O GLU A 159 -0.406 -8.412 1.451 1.00 0.00 O ATOM 1502 CB GLU A 159 0.402 -11.219 1.119 1.00 0.00 C ATOM 1503 CG GLU A 159 -0.962 -11.425 1.759 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.016 -11.860 0.760 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.322 -11.074 -0.160 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 -2.536 -12.988 0.899 1.00 0.00 O ATOM 0 H GLU A 159 2.312 -9.516 0.688 1.00 0.00 H new ATOM 0 HA GLU A 159 0.073 -10.606 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.738 -12.164 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 159 1.118 -10.946 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -0.880 -12.176 2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.279 -10.497 2.235 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.382 -8.643 -0.550 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.316 -7.542 -0.364 1.00 0.00 C ATOM 1515 C LEU A 160 -3.617 -8.025 0.256 1.00 0.00 C ATOM 1516 O LEU A 160 -3.995 -9.182 0.067 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.645 -6.942 -1.731 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.604 -6.019 -2.354 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.140 -4.600 -2.482 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.309 -6.068 -1.566 1.00 0.00 C ATOM 0 H LEU A 160 -1.471 -9.118 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.854 -6.809 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.828 -7.762 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.578 -6.387 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.387 -6.371 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.378 -3.962 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.028 -4.602 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.399 -4.218 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.422 -5.403 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.495 -5.749 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.078 -7.087 -1.565 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.352 -7.135 0.933 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.648 -7.553 1.463 1.00 0.00 C ATOM 1534 C ASN A 161 -6.494 -7.834 0.253 1.00 0.00 C ATOM 1535 O ASN A 161 -6.197 -7.253 -0.788 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.320 -6.480 2.326 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.783 -6.779 2.599 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.165 -7.931 2.805 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.608 -5.740 2.604 1.00 0.00 N ATOM 0 H ASN A 161 -4.087 -6.168 1.119 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.524 -8.417 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.788 -6.396 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.238 -5.514 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.602 -5.879 2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.248 -4.802 2.428 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.503 -8.707 0.428 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.416 -9.199 -0.617 1.00 0.00 C ATOM 1548 C GLU A 162 -8.797 -8.208 -1.704 1.00 0.00 C ATOM 1549 O GLU A 162 -8.631 -8.506 -2.887 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.690 -9.702 0.050 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.528 -10.567 -0.861 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.995 -10.181 -0.856 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.588 -10.118 0.241 1.00 0.00 O1- ATOM 1554 OE2 GLU A 162 -12.550 -9.943 -1.949 1.00 0.00 O ATOM 0 H GLU A 162 -7.712 -9.106 1.343 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.859 -9.982 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.427 -10.271 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -10.283 -8.849 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.142 -10.495 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.430 -11.609 -0.556 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.272 -7.043 -1.339 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.625 -6.049 -2.343 1.00 0.00 C ATOM 1563 C ASP A 163 -8.367 -5.288 -2.689 1.00 0.00 C ATOM 1564 O ASP A 163 -8.394 -4.105 -3.029 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.702 -5.102 -1.813 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.117 -4.061 -2.835 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -10.684 -4.166 -4.002 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -11.877 -3.141 -2.469 1.00 0.00 O ATOM 0 H ASP A 163 -9.424 -6.755 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.033 -6.533 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.576 -5.682 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.332 -4.601 -0.919 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.247 -5.989 -2.518 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.933 -5.441 -2.715 1.00 0.00 C ATOM 1575 C HIS A 164 -5.851 -4.075 -2.087 1.00 0.00 C ATOM 1576 O HIS A 164 -5.077 -3.211 -2.501 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.529 -5.457 -4.178 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.379 -6.862 -4.670 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.135 -7.196 -5.985 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.441 -8.036 -3.988 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.055 -8.511 -6.094 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.236 -9.043 -4.898 1.00 0.00 N ATOM 0 H HIS A 164 -7.242 -6.969 -2.234 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.203 -6.075 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.279 -4.936 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.590 -4.919 -4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.618 -8.154 -2.929 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.872 -9.058 -7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.225 -10.041 -4.685 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.650 -3.921 -1.039 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.681 -2.710 -0.283 1.00 0.00 C ATOM 1593 C ARG A 165 -5.550 -2.723 0.706 1.00 0.00 C ATOM 1594 O ARG A 165 -5.204 -1.678 1.254 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.006 -2.558 0.456 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.189 -2.288 -0.451 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.497 -2.495 0.288 1.00 0.00 C ATOM 1598 NE ARG A 165 -11.124 -1.230 0.665 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.738 -0.423 -0.195 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -11.812 -0.744 -1.481 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -12.281 0.710 0.230 1.00 0.00 N ATOM 0 H ARG A 165 -7.289 -4.642 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.576 -1.867 -0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.198 -3.467 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.918 -1.743 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.138 -1.267 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -9.147 -2.949 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -11.181 -3.065 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.316 -3.090 1.183 1.00 0.00 H new ATOM 0 HE ARG A 165 -11.089 -0.950 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -11.397 -1.614 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -12.284 -0.121 -2.136 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -12.228 0.962 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -12.752 1.329 -0.430 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.953 -3.902 0.957 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.845 -3.907 1.925 1.00 0.00 C ATOM 1617 C LYS A 166 -2.586 -4.536 1.369 1.00 0.00 C ATOM 1618 O LYS A 166 -2.533 -4.929 0.207 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.236 -4.593 3.234 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.508 -4.035 3.859 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.796 -4.677 5.208 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.939 -3.976 5.924 1.00 0.00 C ATOM 1623 NZ LYS A 166 -6.447 -2.986 6.921 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.195 -4.800 0.539 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.630 -2.859 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.369 -5.659 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.417 -4.492 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.411 -2.956 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.349 -4.205 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -6.044 -5.729 5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -4.900 -4.642 5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.570 -3.471 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.562 -4.717 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.258 -2.530 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -5.866 -3.471 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -5.874 -2.264 6.440 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.578 -4.626 2.224 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.308 -5.216 1.855 1.00 0.00 C ATOM 1639 C VAL A 167 0.397 -5.756 3.086 1.00 0.00 C ATOM 1640 O VAL A 167 1.182 -5.073 3.740 1.00 0.00 O ATOM 1641 CB VAL A 167 0.593 -4.229 1.084 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.689 -2.886 1.795 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.978 -4.819 0.853 1.00 0.00 C ATOM 0 H VAL A 167 -1.621 -4.293 3.187 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.513 -6.044 1.177 1.00 0.00 H new ATOM 0 HB VAL A 167 0.130 -4.056 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.332 -2.217 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.305 -2.448 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 167 1.110 -3.030 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.592 -4.103 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.444 -5.040 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.890 -5.737 0.273 1.00 0.00 H new ATOM 1653 N ARG A 168 0.087 -7.003 3.385 1.00 0.00 N ATOM 1654 CA ARG A 168 0.662 -7.696 4.533 1.00 0.00 C ATOM 1655 C ARG A 168 1.732 -8.685 4.080 1.00 0.00 C ATOM 1656 O ARG A 168 1.718 -9.144 2.938 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.437 -8.431 5.304 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.016 -8.885 6.695 1.00 0.00 C ATOM 1659 CD ARG A 168 -0.035 -10.401 6.816 1.00 0.00 C ATOM 1660 NE ARG A 168 0.968 -10.889 7.758 1.00 0.00 N ATOM 1661 CZ ARG A 168 0.997 -12.132 8.233 1.00 0.00 C ATOM 1662 NH1 ARG A 168 0.077 -13.014 7.860 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 1.948 -12.496 9.082 1.00 0.00 N ATOM 0 H ARG A 168 -0.568 -7.567 2.844 1.00 0.00 H new ATOM 0 HA ARG A 168 1.126 -6.958 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.304 -7.777 5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -0.752 -9.301 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.986 -8.514 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.685 -8.451 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.024 -10.726 7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 168 0.142 -10.845 5.836 1.00 0.00 H new ATOM 0 HE ARG A 168 1.689 -10.239 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.657 -12.740 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 168 0.104 -13.965 8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 168 2.658 -11.823 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 168 1.970 -13.449 9.446 1.00 0.00 H new ATOM 1677 N ARG A 169 2.658 -9.012 4.976 1.00 0.00 N ATOM 1678 CA ARG A 169 3.728 -9.951 4.654 1.00 0.00 C ATOM 1679 C ARG A 169 3.331 -11.373 5.036 1.00 0.00 C ATOM 1680 O ARG A 169 2.850 -11.619 6.141 1.00 0.00 O ATOM 1681 CB ARG A 169 5.021 -9.557 5.372 1.00 0.00 C ATOM 1682 CG ARG A 169 6.134 -9.133 4.428 1.00 0.00 C ATOM 1683 CD ARG A 169 6.880 -10.334 3.870 1.00 0.00 C ATOM 1684 NE ARG A 169 6.241 -10.867 2.669 1.00 0.00 N ATOM 1685 CZ ARG A 169 6.752 -11.851 1.933 1.00 0.00 C ATOM 1686 NH1 ARG A 169 7.907 -12.411 2.270 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 6.106 -12.276 0.856 1.00 0.00 N ATOM 0 H ARG A 169 2.690 -8.643 5.926 1.00 0.00 H new ATOM 0 HA ARG A 169 3.898 -9.915 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.810 -8.740 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.365 -10.400 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.714 -8.551 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 169 6.832 -8.483 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.906 -10.048 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 169 6.931 -11.114 4.630 1.00 0.00 H new ATOM 0 HE ARG A 169 5.352 -10.461 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 169 8.408 -12.088 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 169 8.293 -13.165 1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 169 5.218 -11.849 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 169 6.497 -13.030 0.291 1.00 0.00 H new ATOM 1701 N THR A 170 3.537 -12.305 4.113 1.00 0.00 N ATOM 1702 CA THR A 170 3.201 -13.703 4.353 1.00 0.00 C ATOM 1703 C THR A 170 4.205 -14.359 5.298 1.00 0.00 C ATOM 1704 O THR A 170 3.938 -15.423 5.857 1.00 0.00 O ATOM 1705 CB THR A 170 3.153 -14.471 3.032 1.00 0.00 C ATOM 1706 OG1 THR A 170 4.444 -14.557 2.454 1.00 0.00 O ATOM 1707 CG2 THR A 170 2.233 -13.842 2.008 1.00 0.00 C ATOM 0 H THR A 170 3.935 -12.118 3.192 1.00 0.00 H new ATOM 0 HA THR A 170 2.218 -13.734 4.823 1.00 0.00 H new ATOM 0 HB THR A 170 2.768 -15.458 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.392 -15.053 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 170 2.245 -14.436 1.094 1.00 0.00 H new ATOM 0 HG22 THR A 170 1.218 -13.806 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 170 2.572 -12.830 1.787 1.00 0.00 H new ATOM 1715 N THR A 171 5.361 -13.724 5.473 1.00 0.00 N ATOM 1716 CA THR A 171 6.396 -14.259 6.350 1.00 0.00 C ATOM 1717 C THR A 171 7.278 -13.144 6.911 1.00 0.00 C ATOM 1718 O THR A 171 8.463 -13.058 6.589 1.00 0.00 O ATOM 1719 CB THR A 171 7.256 -15.271 5.592 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.312 -15.745 6.408 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.869 -14.705 4.329 1.00 0.00 C ATOM 0 H THR A 171 5.603 -12.842 5.021 1.00 0.00 H new ATOM 0 HA THR A 171 5.904 -14.757 7.186 1.00 0.00 H new ATOM 0 HB THR A 171 6.578 -16.079 5.318 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.921 -15.006 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.467 -15.473 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 171 7.077 -14.377 3.656 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.505 -13.857 4.582 1.00 0.00 H new ATOM 1729 N PRO A 172 6.712 -12.276 7.769 1.00 0.00 N ATOM 1730 CA PRO A 172 7.461 -11.173 8.378 1.00 0.00 C ATOM 1731 C PRO A 172 8.450 -11.670 9.426 1.00 0.00 C ATOM 1732 O PRO A 172 8.204 -12.672 10.096 1.00 0.00 O ATOM 1733 CB PRO A 172 6.370 -10.322 9.030 1.00 0.00 C ATOM 1734 CG PRO A 172 5.267 -11.280 9.317 1.00 0.00 C ATOM 1735 CD PRO A 172 5.307 -12.307 8.217 1.00 0.00 C ATOM 0 HA PRO A 172 8.061 -10.628 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 172 6.730 -9.847 9.943 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.039 -9.524 8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 172 5.402 -11.748 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.304 -10.770 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.023 -13.295 8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.622 -12.055 7.408 1.00 0.00 H new