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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 108 ASN : amide:sc= -3 K(o=-3,f=-5.5!) 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= -6.06! C(o=-6.1!,f=-9.2!) USER MOD Single : A 103 TYR OH : rot -141:sc= 1.72 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 16:sc= 0.553! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 102:sc= 1.3 USER MOD Single : A 134 SER OG : rot -51:sc= 0.434 USER MOD Single : A 136 LYS NZ :NH3+ -167:sc= -0.0212 (180deg=-0.346) 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 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 147 THR OG1 : rot -52:sc= -0.054 USER MOD Single : A 148 THR OG1 : rot 47:sc= -1.83! USER MOD Single : A 150 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.18) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -168:sc= -3.97! USER MOD Single : A 161 ASN :FLIP amide:sc= -1.11 F(o=-2.4,f=-1.1) USER MOD Single : A 164 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-2.7) 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 180:sc=-0.00909 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.273 4.690 -16.113 1.00 0.00 N ATOM 258 CA PRO A 87 -5.352 3.564 -15.939 1.00 0.00 C ATOM 259 C PRO A 87 -3.893 3.958 -16.173 1.00 0.00 C ATOM 260 O PRO A 87 -3.579 4.646 -17.144 1.00 0.00 O ATOM 261 CB PRO A 87 -5.815 2.576 -17.008 1.00 0.00 C ATOM 262 CG PRO A 87 -6.379 3.431 -18.089 1.00 0.00 C ATOM 263 CD PRO A 87 -6.982 4.631 -17.406 1.00 0.00 C ATOM 0 HA PRO A 87 -5.375 3.168 -14.924 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.986 1.970 -17.374 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.564 1.888 -16.615 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.602 3.733 -18.792 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.133 2.889 -18.660 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.831 5.541 -17.987 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.057 4.515 -17.268 1.00 0.00 H new ATOM 271 N PRO A 88 -2.980 3.526 -15.284 1.00 0.00 N ATOM 272 CA PRO A 88 -1.556 3.834 -15.395 1.00 0.00 C ATOM 273 C PRO A 88 -0.808 2.819 -16.255 1.00 0.00 C ATOM 274 O PRO A 88 -1.421 2.061 -17.008 1.00 0.00 O ATOM 275 CB PRO A 88 -1.095 3.750 -13.943 1.00 0.00 C ATOM 276 CG PRO A 88 -1.945 2.679 -13.346 1.00 0.00 C ATOM 277 CD PRO A 88 -3.261 2.703 -14.090 1.00 0.00 C ATOM 0 HA PRO A 88 -1.368 4.795 -15.874 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.036 3.501 -13.876 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.232 4.700 -13.427 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.464 1.705 -13.441 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.099 2.856 -12.281 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.583 1.698 -14.364 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.055 3.138 -13.483 1.00 0.00 H new ATOM 285 N ASP A 89 0.516 2.801 -16.134 1.00 0.00 N ATOM 286 CA ASP A 89 1.341 1.881 -16.886 1.00 0.00 C ATOM 287 C ASP A 89 2.160 1.015 -15.942 1.00 0.00 C ATOM 288 O ASP A 89 2.582 1.468 -14.877 1.00 0.00 O ATOM 289 CB ASP A 89 2.265 2.643 -17.838 1.00 0.00 C ATOM 290 CG ASP A 89 1.522 3.678 -18.659 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.898 4.578 -18.057 1.00 0.00 O1- ATOM 292 OD2 ASP A 89 1.564 3.590 -19.905 1.00 0.00 O ATOM 0 H ASP A 89 1.038 3.422 -15.515 1.00 0.00 H new ATOM 0 HA ASP A 89 0.689 1.238 -17.477 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.050 3.134 -17.263 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.756 1.936 -18.507 1.00 0.00 H new ATOM 297 N GLU A 90 2.382 -0.231 -16.334 1.00 0.00 N ATOM 298 CA GLU A 90 3.150 -1.162 -15.527 1.00 0.00 C ATOM 299 C GLU A 90 4.504 -0.576 -15.144 1.00 0.00 C ATOM 300 O GLU A 90 5.125 -1.011 -14.174 1.00 0.00 O ATOM 301 CB GLU A 90 3.348 -2.469 -16.285 1.00 0.00 C ATOM 302 CG GLU A 90 3.662 -2.286 -17.761 1.00 0.00 C ATOM 303 CD GLU A 90 2.463 -2.553 -18.650 1.00 0.00 C ATOM 304 OE1 GLU A 90 1.620 -3.395 -18.274 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 2.366 -1.920 -19.722 1.00 0.00 O ATOM 0 H GLU A 90 2.038 -0.620 -17.212 1.00 0.00 H new ATOM 0 HA GLU A 90 2.591 -1.354 -14.611 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.159 -3.029 -15.818 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.446 -3.074 -16.188 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.016 -1.269 -17.930 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.474 -2.957 -18.042 1.00 0.00 H new ATOM 312 N GLU A 91 4.956 0.420 -15.902 1.00 0.00 N ATOM 313 CA GLU A 91 6.231 1.066 -15.627 1.00 0.00 C ATOM 314 C GLU A 91 6.263 1.575 -14.194 1.00 0.00 C ATOM 315 O GLU A 91 7.174 1.265 -13.423 1.00 0.00 O ATOM 316 CB GLU A 91 6.452 2.233 -16.590 1.00 0.00 C ATOM 317 CG GLU A 91 6.290 1.856 -18.053 1.00 0.00 C ATOM 318 CD GLU A 91 7.154 0.674 -18.450 1.00 0.00 C ATOM 319 OE1 GLU A 91 6.812 -0.464 -18.068 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 8.173 0.888 -19.140 1.00 0.00 O ATOM 0 H GLU A 91 4.458 0.795 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 91 7.026 0.334 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.748 3.030 -16.349 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.453 2.635 -16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.244 1.619 -18.250 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.545 2.713 -18.676 1.00 0.00 H new ATOM 327 N LEU A 92 5.250 2.354 -13.849 1.00 0.00 N ATOM 328 CA LEU A 92 5.138 2.911 -12.513 1.00 0.00 C ATOM 329 C LEU A 92 4.658 1.856 -11.521 1.00 0.00 C ATOM 330 O LEU A 92 4.905 1.964 -10.320 1.00 0.00 O ATOM 331 CB LEU A 92 4.187 4.105 -12.521 1.00 0.00 C ATOM 332 CG LEU A 92 4.308 5.049 -11.321 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.745 4.399 -10.069 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.759 5.459 -11.105 1.00 0.00 C ATOM 0 H LEU A 92 4.492 2.615 -14.479 1.00 0.00 H new ATOM 0 HA LEU A 92 6.126 3.247 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.359 4.679 -13.432 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.164 3.733 -12.567 1.00 0.00 H new ATOM 0 HG LEU A 92 3.726 5.946 -11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.841 5.086 -9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.693 4.160 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.297 3.484 -9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.824 6.130 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.364 4.572 -10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.129 5.970 -11.994 1.00 0.00 H new ATOM 346 N ILE A 93 3.977 0.826 -12.024 1.00 0.00 N ATOM 347 CA ILE A 93 3.480 -0.237 -11.166 1.00 0.00 C ATOM 348 C ILE A 93 4.633 -1.029 -10.566 1.00 0.00 C ATOM 349 O ILE A 93 4.566 -1.467 -9.417 1.00 0.00 O ATOM 350 CB ILE A 93 2.546 -1.189 -11.936 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.364 -0.409 -12.511 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.061 -2.313 -11.030 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.458 -1.241 -13.388 1.00 0.00 C ATOM 0 H ILE A 93 3.761 0.710 -13.014 1.00 0.00 H new ATOM 0 HA ILE A 93 2.912 0.233 -10.363 1.00 0.00 H new ATOM 0 HB ILE A 93 3.102 -1.637 -12.760 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.780 0.006 -11.690 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.743 0.433 -13.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.402 -2.975 -11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.917 -2.879 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.516 -1.890 -10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.358 -0.621 -13.760 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.028 -1.635 -14.230 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.050 -2.068 -12.808 1.00 0.00 H new ATOM 365 N LYS A 94 5.693 -1.204 -11.346 1.00 0.00 N ATOM 366 CA LYS A 94 6.862 -1.937 -10.883 1.00 0.00 C ATOM 367 C LYS A 94 7.656 -1.095 -9.892 1.00 0.00 C ATOM 368 O LYS A 94 8.234 -1.618 -8.939 1.00 0.00 O ATOM 369 CB LYS A 94 7.747 -2.339 -12.067 1.00 0.00 C ATOM 370 CG LYS A 94 7.758 -3.835 -12.336 1.00 0.00 C ATOM 371 CD LYS A 94 8.948 -4.511 -11.676 1.00 0.00 C ATOM 372 CE LYS A 94 8.689 -4.778 -10.202 1.00 0.00 C ATOM 373 NZ LYS A 94 9.947 -4.757 -9.405 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.766 -0.849 -12.299 1.00 0.00 H new ATOM 0 HA LYS A 94 6.525 -2.843 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.402 -1.820 -12.961 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.767 -2.004 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.834 -4.279 -11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.788 -4.012 -13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.163 -5.451 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.831 -3.881 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.000 -4.028 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.203 -5.747 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.728 -4.943 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.595 -5.489 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.398 -3.824 -9.493 1.00 0.00 H new ATOM 387 N LYS A 95 7.671 0.216 -10.113 1.00 0.00 N ATOM 388 CA LYS A 95 8.382 1.126 -9.224 1.00 0.00 C ATOM 389 C LYS A 95 7.764 1.088 -7.830 1.00 0.00 C ATOM 390 O LYS A 95 8.452 0.849 -6.838 1.00 0.00 O ATOM 391 CB LYS A 95 8.342 2.553 -9.777 1.00 0.00 C ATOM 392 CG LYS A 95 9.185 2.743 -11.029 1.00 0.00 C ATOM 393 CD LYS A 95 10.518 3.401 -10.709 1.00 0.00 C ATOM 394 CE LYS A 95 10.903 4.424 -11.765 1.00 0.00 C ATOM 395 NZ LYS A 95 11.864 3.866 -12.756 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.201 0.670 -10.896 1.00 0.00 H new ATOM 0 HA LYS A 95 9.422 0.806 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.309 2.819 -10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.689 3.242 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.359 1.776 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.639 3.355 -11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.461 3.886 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.294 2.639 -10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.007 4.767 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.345 5.295 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.101 4.595 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.730 3.562 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.433 3.050 -13.236 1.00 0.00 H new ATOM 409 N LEU A 96 6.455 1.320 -7.769 1.00 0.00 N ATOM 410 CA LEU A 96 5.726 1.309 -6.509 1.00 0.00 C ATOM 411 C LEU A 96 5.902 -0.019 -5.783 1.00 0.00 C ATOM 412 O LEU A 96 6.401 -0.064 -4.659 1.00 0.00 O ATOM 413 CB LEU A 96 4.241 1.562 -6.769 1.00 0.00 C ATOM 414 CG LEU A 96 3.716 2.872 -6.212 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.673 3.478 -7.141 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.142 2.661 -4.822 1.00 0.00 C ATOM 0 H LEU A 96 5.876 1.519 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 96 6.128 2.100 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.066 1.544 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.666 0.743 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 96 4.548 3.573 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.312 4.416 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.121 3.667 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.839 2.785 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.769 3.609 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.324 1.942 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.920 2.280 -4.161 1.00 0.00 H new ATOM 428 N VAL A 97 5.481 -1.099 -6.434 1.00 0.00 N ATOM 429 CA VAL A 97 5.584 -2.433 -5.854 1.00 0.00 C ATOM 430 C VAL A 97 6.982 -2.688 -5.297 1.00 0.00 C ATOM 431 O VAL A 97 7.139 -3.311 -4.247 1.00 0.00 O ATOM 432 CB VAL A 97 5.249 -3.520 -6.895 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.238 -3.480 -8.046 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.236 -4.894 -6.247 1.00 0.00 C ATOM 0 H VAL A 97 5.065 -1.076 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 97 4.861 -2.482 -5.039 1.00 0.00 H new ATOM 0 HB VAL A 97 4.254 -3.320 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.985 -4.254 -8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.195 -2.504 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.245 -3.653 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.998 -5.648 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.217 -5.104 -5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.484 -4.917 -5.458 1.00 0.00 H new ATOM 444 N ASP A 98 7.992 -2.195 -6.004 1.00 0.00 N ATOM 445 CA ASP A 98 9.375 -2.365 -5.574 1.00 0.00 C ATOM 446 C ASP A 98 9.612 -1.671 -4.237 1.00 0.00 C ATOM 447 O ASP A 98 10.513 -2.038 -3.484 1.00 0.00 O ATOM 448 CB ASP A 98 10.333 -1.808 -6.628 1.00 0.00 C ATOM 449 CG ASP A 98 11.742 -2.346 -6.472 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.444 -1.908 -5.536 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.142 -3.206 -7.284 1.00 0.00 O1- ATOM 0 H ASP A 98 7.880 -1.676 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 98 9.565 -3.431 -5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.960 -2.057 -7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.353 -0.720 -6.558 1.00 0.00 H new ATOM 456 N GLN A 99 8.793 -0.662 -3.951 1.00 0.00 N ATOM 457 CA GLN A 99 8.909 0.090 -2.709 1.00 0.00 C ATOM 458 C GLN A 99 8.465 -0.748 -1.513 1.00 0.00 C ATOM 459 O GLN A 99 9.113 -0.739 -0.467 1.00 0.00 O ATOM 460 CB GLN A 99 8.079 1.373 -2.787 1.00 0.00 C ATOM 461 CG GLN A 99 8.840 2.617 -2.358 1.00 0.00 C ATOM 462 CD GLN A 99 8.066 3.465 -1.368 1.00 0.00 C ATOM 463 OE1 GLN A 99 6.880 3.237 -1.132 1.00 0.00 O ATOM 464 NE2 GLN A 99 8.736 4.451 -0.783 1.00 0.00 N ATOM 0 H GLN A 99 8.041 -0.348 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 99 9.958 0.351 -2.571 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.728 1.507 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.195 1.263 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.790 2.321 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.074 3.216 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.719 4.604 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.268 5.055 -0.108 1.00 0.00 H new ATOM 473 N ILE A 100 7.355 -1.467 -1.665 1.00 0.00 N ATOM 474 CA ILE A 100 6.838 -2.298 -0.585 1.00 0.00 C ATOM 475 C ILE A 100 7.808 -3.405 -0.237 1.00 0.00 C ATOM 476 O ILE A 100 8.340 -3.460 0.872 1.00 0.00 O ATOM 477 CB ILE A 100 5.491 -2.952 -0.935 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.645 -2.055 -1.837 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.735 -3.275 0.338 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.531 -0.638 -1.334 1.00 0.00 C ATOM 0 H ILE A 100 6.801 -1.490 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 100 6.700 -1.625 0.261 1.00 0.00 H new ATOM 0 HB ILE A 100 5.694 -3.871 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.079 -2.044 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.646 -2.482 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.781 -3.738 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.323 -3.962 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.556 -2.357 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.917 -0.056 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.069 -0.638 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.524 -0.194 -1.270 1.00 0.00 H new ATOM 492 N GLU A 101 8.037 -4.282 -1.200 1.00 0.00 N ATOM 493 CA GLU A 101 8.956 -5.400 -1.009 1.00 0.00 C ATOM 494 C GLU A 101 10.276 -4.903 -0.430 1.00 0.00 C ATOM 495 O GLU A 101 11.007 -5.649 0.222 1.00 0.00 O ATOM 496 CB GLU A 101 9.203 -6.125 -2.334 1.00 0.00 C ATOM 497 CG GLU A 101 9.769 -5.226 -3.422 1.00 0.00 C ATOM 498 CD GLU A 101 11.285 -5.226 -3.447 1.00 0.00 C ATOM 499 OE1 GLU A 101 11.882 -6.300 -3.223 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 11.874 -4.152 -3.690 1.00 0.00 O ATOM 0 H GLU A 101 7.602 -4.245 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 101 8.504 -6.102 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.891 -6.953 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.265 -6.557 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.393 -5.554 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.412 -4.208 -3.269 1.00 0.00 H new ATOM 507 N PHE A 102 10.558 -3.625 -0.661 1.00 0.00 N ATOM 508 CA PHE A 102 11.770 -2.997 -0.154 1.00 0.00 C ATOM 509 C PHE A 102 11.533 -2.513 1.268 1.00 0.00 C ATOM 510 O PHE A 102 12.363 -2.697 2.158 1.00 0.00 O ATOM 511 CB PHE A 102 12.157 -1.823 -1.058 1.00 0.00 C ATOM 512 CG PHE A 102 13.106 -0.840 -0.429 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.640 0.120 0.455 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.458 -0.874 -0.727 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.508 1.028 1.032 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.331 0.032 -0.153 1.00 0.00 C ATOM 517 CZ PHE A 102 14.855 0.984 0.727 1.00 0.00 C ATOM 0 H PHE A 102 9.958 -3.001 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 102 12.585 -3.721 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.610 -2.215 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.251 -1.295 -1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.588 0.159 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.835 -1.616 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.134 1.771 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.383 -0.005 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.535 1.693 1.176 1.00 0.00 H new ATOM 527 N TYR A 103 10.384 -1.887 1.454 1.00 0.00 N ATOM 528 CA TYR A 103 9.983 -1.351 2.744 1.00 0.00 C ATOM 529 C TYR A 103 9.961 -2.442 3.812 1.00 0.00 C ATOM 530 O TYR A 103 10.604 -2.322 4.854 1.00 0.00 O ATOM 531 CB TYR A 103 8.599 -0.707 2.614 1.00 0.00 C ATOM 532 CG TYR A 103 7.551 -1.313 3.521 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.516 -0.979 4.861 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.605 -2.214 3.043 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.576 -1.515 5.711 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.654 -2.758 3.887 1.00 0.00 C ATOM 537 CZ TYR A 103 5.643 -2.404 5.222 1.00 0.00 C ATOM 538 OH TYR A 103 4.699 -2.941 6.070 1.00 0.00 O ATOM 0 H TYR A 103 9.700 -1.735 0.712 1.00 0.00 H new ATOM 0 HA TYR A 103 10.710 -0.600 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.683 0.357 2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.265 -0.794 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.243 -0.281 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.613 -2.492 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.569 -1.241 6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.924 -3.456 3.504 1.00 0.00 H new ATOM 0 HH TYR A 103 4.556 -3.884 5.845 1.00 0.00 H new ATOM 548 N PHE A 104 9.194 -3.494 3.551 1.00 0.00 N ATOM 549 CA PHE A 104 9.060 -4.600 4.497 1.00 0.00 C ATOM 550 C PHE A 104 10.331 -5.446 4.588 1.00 0.00 C ATOM 551 O PHE A 104 10.356 -6.452 5.297 1.00 0.00 O ATOM 552 CB PHE A 104 7.871 -5.488 4.113 1.00 0.00 C ATOM 553 CG PHE A 104 6.965 -5.825 5.267 1.00 0.00 C ATOM 554 CD1 PHE A 104 7.474 -6.380 6.430 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.602 -5.586 5.186 1.00 0.00 C ATOM 556 CE1 PHE A 104 6.642 -6.688 7.491 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.765 -5.893 6.242 1.00 0.00 C ATOM 558 CZ PHE A 104 5.286 -6.443 7.397 1.00 0.00 C ATOM 0 H PHE A 104 8.655 -3.606 2.693 1.00 0.00 H new ATOM 0 HA PHE A 104 8.888 -4.160 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.289 -4.985 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.247 -6.413 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.533 -6.574 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.189 -5.154 4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.052 -7.120 8.392 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.705 -5.703 6.164 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.634 -6.681 8.225 1.00 0.00 H new ATOM 568 N SER A 105 11.394 -5.038 3.900 1.00 0.00 N ATOM 569 CA SER A 105 12.648 -5.778 3.964 1.00 0.00 C ATOM 570 C SER A 105 13.153 -5.804 5.406 1.00 0.00 C ATOM 571 O SER A 105 13.067 -4.802 6.113 1.00 0.00 O ATOM 572 CB SER A 105 13.696 -5.143 3.048 1.00 0.00 C ATOM 573 OG SER A 105 14.978 -5.702 3.275 1.00 0.00 O ATOM 0 H SER A 105 11.412 -4.212 3.301 1.00 0.00 H new ATOM 0 HA SER A 105 12.473 -6.799 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.411 -5.291 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.729 -4.067 3.220 1.00 0.00 H new ATOM 0 HG SER A 105 15.629 -5.281 2.676 1.00 0.00 H new ATOM 579 N ASP A 106 13.661 -6.955 5.841 1.00 0.00 N ATOM 580 CA ASP A 106 14.164 -7.116 7.210 1.00 0.00 C ATOM 581 C ASP A 106 14.916 -5.873 7.694 1.00 0.00 C ATOM 582 O ASP A 106 14.522 -5.231 8.670 1.00 0.00 O ATOM 583 CB ASP A 106 15.088 -8.334 7.300 1.00 0.00 C ATOM 584 CG ASP A 106 15.903 -8.550 6.038 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.296 -8.776 4.970 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 17.148 -8.492 6.118 1.00 0.00 O ATOM 0 H ASP A 106 13.737 -7.794 5.266 1.00 0.00 H new ATOM 0 HA ASP A 106 13.297 -7.262 7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.764 -8.210 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.490 -9.224 7.497 1.00 0.00 H new ATOM 591 N GLU A 107 16.002 -5.548 7.005 1.00 0.00 N ATOM 592 CA GLU A 107 16.825 -4.393 7.351 1.00 0.00 C ATOM 593 C GLU A 107 16.042 -3.089 7.262 1.00 0.00 C ATOM 594 O GLU A 107 16.448 -2.068 7.817 1.00 0.00 O ATOM 595 CB GLU A 107 18.020 -4.320 6.411 1.00 0.00 C ATOM 596 CG GLU A 107 18.944 -5.518 6.517 1.00 0.00 C ATOM 597 CD GLU A 107 19.753 -5.520 7.800 1.00 0.00 C ATOM 598 OE1 GLU A 107 19.149 -5.666 8.883 1.00 0.00 O ATOM 599 OE2 GLU A 107 20.991 -5.375 7.721 1.00 0.00 O1- ATOM 0 H GLU A 107 16.337 -6.072 6.196 1.00 0.00 H new ATOM 0 HA GLU A 107 17.155 -4.520 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.661 -4.237 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.586 -3.414 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.354 -6.433 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.623 -5.525 5.664 1.00 0.00 H new ATOM 606 N ASN A 108 14.927 -3.130 6.555 1.00 0.00 N ATOM 607 CA ASN A 108 14.086 -1.955 6.379 1.00 0.00 C ATOM 608 C ASN A 108 13.028 -1.874 7.468 1.00 0.00 C ATOM 609 O ASN A 108 12.442 -0.821 7.695 1.00 0.00 O ATOM 610 CB ASN A 108 13.424 -1.973 5.001 1.00 0.00 C ATOM 611 CG ASN A 108 14.354 -1.473 3.911 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.994 -2.259 3.215 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.433 -0.155 3.762 1.00 0.00 N ATOM 0 H ASN A 108 14.580 -3.969 6.090 1.00 0.00 H new ATOM 0 HA ASN A 108 14.721 -1.072 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.105 -2.989 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.527 -1.354 5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.043 0.242 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.883 0.460 4.362 1.00 0.00 H new ATOM 620 N LEU A 109 12.797 -2.989 8.150 1.00 0.00 N ATOM 621 CA LEU A 109 11.830 -3.037 9.220 1.00 0.00 C ATOM 622 C LEU A 109 12.347 -2.251 10.393 1.00 0.00 C ATOM 623 O LEU A 109 11.678 -1.356 10.911 1.00 0.00 O ATOM 624 CB LEU A 109 11.593 -4.477 9.618 1.00 0.00 C ATOM 625 CG LEU A 109 10.475 -5.164 8.855 1.00 0.00 C ATOM 626 CD1 LEU A 109 9.216 -5.150 9.692 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.221 -4.494 7.514 1.00 0.00 C ATOM 0 H LEU A 109 13.274 -3.873 7.973 1.00 0.00 H new ATOM 0 HA LEU A 109 10.887 -2.602 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.515 -5.038 9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.365 -4.514 10.683 1.00 0.00 H new ATOM 0 HG LEU A 109 10.775 -6.193 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.411 -5.643 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.396 -5.678 10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.932 -4.119 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.414 -5.012 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.939 -3.453 7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.127 -4.535 6.909 1.00 0.00 H new ATOM 639 N GLU A 110 13.567 -2.577 10.791 1.00 0.00 N ATOM 640 CA GLU A 110 14.206 -1.885 11.886 1.00 0.00 C ATOM 641 C GLU A 110 14.221 -0.379 11.630 1.00 0.00 C ATOM 642 O GLU A 110 14.489 0.413 12.533 1.00 0.00 O ATOM 643 CB GLU A 110 15.645 -2.367 12.109 1.00 0.00 C ATOM 644 CG GLU A 110 16.097 -3.480 11.187 1.00 0.00 C ATOM 645 CD GLU A 110 17.601 -3.677 11.214 1.00 0.00 C ATOM 646 OE1 GLU A 110 18.155 -3.862 12.318 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 18.223 -3.646 10.133 1.00 0.00 O ATOM 0 H GLU A 110 14.129 -3.316 10.369 1.00 0.00 H new ATOM 0 HA GLU A 110 13.626 -2.106 12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 110 16.319 -1.519 11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.743 -2.707 13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.606 -4.409 11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.781 -3.256 10.168 1.00 0.00 H new ATOM 654 N LYS A 111 13.963 0.002 10.378 1.00 0.00 N ATOM 655 CA LYS A 111 13.980 1.399 9.983 1.00 0.00 C ATOM 656 C LYS A 111 12.613 1.880 9.487 1.00 0.00 C ATOM 657 O LYS A 111 12.412 3.076 9.277 1.00 0.00 O ATOM 658 CB LYS A 111 15.045 1.576 8.889 1.00 0.00 C ATOM 659 CG LYS A 111 14.565 2.314 7.649 1.00 0.00 C ATOM 660 CD LYS A 111 15.706 2.582 6.681 1.00 0.00 C ATOM 661 CE LYS A 111 16.242 1.294 6.074 1.00 0.00 C ATOM 662 NZ LYS A 111 17.729 1.299 5.987 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.740 -0.645 9.622 1.00 0.00 H new ATOM 0 HA LYS A 111 14.221 2.007 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.893 2.115 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.408 0.592 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.794 1.726 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.106 3.258 7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.361 3.243 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.511 3.102 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.916 0.446 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.820 1.159 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.055 0.405 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.039 2.093 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.132 1.402 6.940 1.00 0.00 H new ATOM 676 N ASP A 112 11.690 0.951 9.258 1.00 0.00 N ATOM 677 CA ASP A 112 10.377 1.315 8.736 1.00 0.00 C ATOM 678 C ASP A 112 9.241 0.984 9.693 1.00 0.00 C ATOM 679 O ASP A 112 8.303 0.257 9.351 1.00 0.00 O ATOM 680 CB ASP A 112 10.157 0.625 7.407 1.00 0.00 C ATOM 681 CG ASP A 112 9.069 1.285 6.594 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.966 1.488 7.140 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 9.319 1.603 5.412 1.00 0.00 O ATOM 0 H ASP A 112 11.824 -0.047 9.423 1.00 0.00 H new ATOM 0 HA ASP A 112 10.368 2.397 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.087 0.631 6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.896 -0.419 7.581 1.00 0.00 H new ATOM 688 N ALA A 113 9.322 1.551 10.877 1.00 0.00 N ATOM 689 CA ALA A 113 8.295 1.357 11.894 1.00 0.00 C ATOM 690 C ALA A 113 7.079 2.247 11.622 1.00 0.00 C ATOM 691 O ALA A 113 6.067 2.158 12.318 1.00 0.00 O ATOM 692 CB ALA A 113 8.862 1.641 13.276 1.00 0.00 C ATOM 0 H ALA A 113 10.091 2.155 11.166 1.00 0.00 H new ATOM 0 HA ALA A 113 7.969 0.318 11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.085 1.492 14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.692 0.963 13.475 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.216 2.671 13.319 1.00 0.00 H new ATOM 698 N PHE A 114 7.191 3.118 10.618 1.00 0.00 N ATOM 699 CA PHE A 114 6.109 4.038 10.267 1.00 0.00 C ATOM 700 C PHE A 114 5.093 3.398 9.318 1.00 0.00 C ATOM 701 O PHE A 114 3.898 3.679 9.404 1.00 0.00 O ATOM 702 CB PHE A 114 6.682 5.310 9.628 1.00 0.00 C ATOM 703 CG PHE A 114 7.794 5.042 8.651 1.00 0.00 C ATOM 704 CD1 PHE A 114 7.544 4.371 7.468 1.00 0.00 C ATOM 705 CD2 PHE A 114 9.090 5.448 8.926 1.00 0.00 C ATOM 706 CE1 PHE A 114 8.559 4.108 6.574 1.00 0.00 C ATOM 707 CE2 PHE A 114 10.115 5.187 8.035 1.00 0.00 C ATOM 708 CZ PHE A 114 9.850 4.514 6.858 1.00 0.00 C ATOM 0 H PHE A 114 8.022 3.205 10.033 1.00 0.00 H new ATOM 0 HA PHE A 114 5.588 4.291 11.191 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.880 5.843 9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 114 7.051 5.968 10.415 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.539 4.048 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 114 9.302 5.974 9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 114 8.347 3.586 5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 114 11.121 5.509 8.259 1.00 0.00 H new ATOM 0 HZ PHE A 114 10.649 4.306 6.162 1.00 0.00 H new ATOM 718 N LEU A 115 5.567 2.555 8.405 1.00 0.00 N ATOM 719 CA LEU A 115 4.685 1.900 7.438 1.00 0.00 C ATOM 720 C LEU A 115 4.045 0.653 8.041 1.00 0.00 C ATOM 721 O LEU A 115 2.891 0.337 7.753 1.00 0.00 O ATOM 722 CB LEU A 115 5.463 1.537 6.165 1.00 0.00 C ATOM 723 CG LEU A 115 4.640 1.459 4.866 1.00 0.00 C ATOM 724 CD1 LEU A 115 5.422 0.744 3.770 1.00 0.00 C ATOM 725 CD2 LEU A 115 3.311 0.757 5.102 1.00 0.00 C ATOM 0 H LEU A 115 6.552 2.309 8.313 1.00 0.00 H new ATOM 0 HA LEU A 115 3.890 2.598 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.255 2.273 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.948 0.573 6.322 1.00 0.00 H new ATOM 0 HG LEU A 115 4.438 2.480 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.820 0.701 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.345 1.287 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.661 -0.269 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.750 0.716 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.493 -0.256 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.736 1.307 5.847 1.00 0.00 H new ATOM 737 N LEU A 116 4.800 -0.058 8.876 1.00 0.00 N ATOM 738 CA LEU A 116 4.293 -1.272 9.507 1.00 0.00 C ATOM 739 C LEU A 116 3.475 -0.955 10.758 1.00 0.00 C ATOM 740 O LEU A 116 2.282 -1.252 10.822 1.00 0.00 O ATOM 741 CB LEU A 116 5.447 -2.209 9.871 1.00 0.00 C ATOM 742 CG LEU A 116 5.095 -3.701 9.888 1.00 0.00 C ATOM 743 CD1 LEU A 116 6.199 -4.501 10.562 1.00 0.00 C ATOM 744 CD2 LEU A 116 3.764 -3.933 10.591 1.00 0.00 C ATOM 0 H LEU A 116 5.758 0.184 9.129 1.00 0.00 H new ATOM 0 HA LEU A 116 3.640 -1.765 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.259 -2.052 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.824 -1.930 10.855 1.00 0.00 H new ATOM 0 HG LEU A 116 5.001 -4.041 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.932 -5.558 10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.133 -4.364 10.016 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.324 -4.155 11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.534 -4.998 10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.828 -3.575 11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.976 -3.392 10.067 1.00 0.00 H new ATOM 922 N TYR A 126 -2.268 -6.159 8.699 1.00 0.00 N ATOM 923 CA TYR A 126 -2.180 -5.854 7.275 1.00 0.00 C ATOM 924 C TYR A 126 -1.945 -4.364 7.055 1.00 0.00 C ATOM 925 O TYR A 126 -2.340 -3.539 7.879 1.00 0.00 O ATOM 926 CB TYR A 126 -3.460 -6.288 6.555 1.00 0.00 C ATOM 927 CG TYR A 126 -3.765 -7.764 6.678 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.216 -8.303 7.877 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.606 -8.619 5.594 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.499 -9.652 7.991 1.00 0.00 C ATOM 931 CE2 TYR A 126 -3.888 -9.967 5.700 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.332 -10.479 6.901 1.00 0.00 C ATOM 933 OH TYR A 126 -4.612 -11.821 7.011 1.00 0.00 O ATOM 0 HA TYR A 126 -1.335 -6.406 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.300 -5.719 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.375 -6.032 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.348 -7.658 8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.256 -8.223 4.652 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.849 -10.055 8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.761 -10.617 4.847 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.443 -12.262 6.152 1.00 0.00 H new ATOM 943 N VAL A 127 -1.312 -4.021 5.936 1.00 0.00 N ATOM 944 CA VAL A 127 -1.041 -2.629 5.616 1.00 0.00 C ATOM 945 C VAL A 127 -2.112 -2.087 4.681 1.00 0.00 C ATOM 946 O VAL A 127 -2.322 -2.616 3.592 1.00 0.00 O ATOM 947 CB VAL A 127 0.343 -2.474 4.956 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.600 -1.036 4.536 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.435 -2.966 5.894 1.00 0.00 C ATOM 0 H VAL A 127 -0.979 -4.688 5.240 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.050 -2.062 6.547 1.00 0.00 H new ATOM 0 HB VAL A 127 0.356 -3.086 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.585 -0.962 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.161 -0.725 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.561 -0.389 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.407 -2.850 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.414 -2.383 6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.268 -4.018 6.126 1.00 0.00 H new ATOM 959 N SER A 128 -2.792 -1.034 5.113 1.00 0.00 N ATOM 960 CA SER A 128 -3.846 -0.437 4.308 1.00 0.00 C ATOM 961 C SER A 128 -3.262 0.444 3.208 1.00 0.00 C ATOM 962 O SER A 128 -2.549 1.411 3.482 1.00 0.00 O ATOM 963 CB SER A 128 -4.791 0.380 5.189 1.00 0.00 C ATOM 964 OG SER A 128 -4.188 1.597 5.596 1.00 0.00 O ATOM 0 H SER A 128 -2.633 -0.578 6.012 1.00 0.00 H new ATOM 0 HA SER A 128 -4.409 -1.244 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.710 0.591 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.069 -0.203 6.067 1.00 0.00 H new ATOM 0 HG SER A 128 -3.403 1.776 5.037 1.00 0.00 H new ATOM 970 N VAL A 129 -3.571 0.104 1.962 1.00 0.00 N ATOM 971 CA VAL A 129 -3.077 0.867 0.826 1.00 0.00 C ATOM 972 C VAL A 129 -3.540 2.320 0.906 1.00 0.00 C ATOM 973 O VAL A 129 -2.854 3.225 0.431 1.00 0.00 O ATOM 974 CB VAL A 129 -3.520 0.241 -0.518 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.845 0.821 -0.995 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.432 0.432 -1.566 1.00 0.00 C ATOM 0 H VAL A 129 -4.159 -0.692 1.715 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.988 0.841 0.867 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.673 -0.827 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.125 0.358 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.617 0.623 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.742 1.897 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.753 -0.012 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.249 1.497 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.515 -0.052 -1.231 1.00 0.00 H new ATOM 986 N LYS A 130 -4.703 2.535 1.519 1.00 0.00 N ATOM 987 CA LYS A 130 -5.247 3.882 1.672 1.00 0.00 C ATOM 988 C LYS A 130 -4.186 4.814 2.242 1.00 0.00 C ATOM 989 O LYS A 130 -4.124 5.993 1.897 1.00 0.00 O ATOM 990 CB LYS A 130 -6.475 3.861 2.584 1.00 0.00 C ATOM 991 CG LYS A 130 -7.572 4.820 2.149 1.00 0.00 C ATOM 992 CD LYS A 130 -8.868 4.563 2.900 1.00 0.00 C ATOM 993 CE LYS A 130 -9.389 3.157 2.648 1.00 0.00 C ATOM 994 NZ LYS A 130 -10.873 3.127 2.533 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.284 1.797 1.916 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.549 4.249 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.879 2.849 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -6.167 4.110 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.248 5.847 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.744 4.715 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.705 4.706 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -9.619 5.291 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.946 2.764 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.075 2.502 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -11.188 2.151 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -11.297 3.478 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.172 3.731 1.741 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.340 4.262 3.105 1.00 0.00 N ATOM 1009 CA LEU A 131 -2.263 5.018 3.716 1.00 0.00 C ATOM 1010 C LEU A 131 -1.117 5.177 2.724 1.00 0.00 C ATOM 1011 O LEU A 131 -0.515 6.247 2.618 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.784 4.310 4.989 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.294 4.451 5.286 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.069 5.912 5.495 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.095 3.614 6.495 1.00 0.00 C ATOM 0 H LEU A 131 -3.384 3.285 3.396 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.626 6.009 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.346 4.701 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.024 3.250 4.909 1.00 0.00 H new ATOM 0 HG LEU A 131 0.267 4.080 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.135 5.995 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.168 6.478 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.499 6.312 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.161 3.729 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.470 3.947 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.127 2.565 6.298 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.825 4.104 1.996 1.00 0.00 N ATOM 1028 CA LEU A 132 0.246 4.117 1.005 1.00 0.00 C ATOM 1029 C LEU A 132 0.052 5.254 0.006 1.00 0.00 C ATOM 1030 O LEU A 132 1.016 5.759 -0.570 1.00 0.00 O ATOM 1031 CB LEU A 132 0.300 2.778 0.267 1.00 0.00 C ATOM 1032 CG LEU A 132 1.081 1.675 0.983 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.605 1.530 2.420 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.941 0.356 0.238 1.00 0.00 C ATOM 0 H LEU A 132 -1.316 3.213 2.074 1.00 0.00 H new ATOM 0 HA LEU A 132 1.189 4.276 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.720 2.431 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.746 2.939 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 132 2.135 1.953 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.172 0.741 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.756 2.471 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.455 1.275 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.503 -0.418 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.111 0.073 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.331 0.467 -0.774 1.00 0.00 H new ATOM 1046 N THR A 133 -1.201 5.652 -0.196 1.00 0.00 N ATOM 1047 CA THR A 133 -1.521 6.728 -1.125 1.00 0.00 C ATOM 1048 C THR A 133 -1.005 8.064 -0.606 1.00 0.00 C ATOM 1049 O THR A 133 -0.365 8.822 -1.335 1.00 0.00 O ATOM 1050 CB THR A 133 -3.032 6.804 -1.353 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.705 5.789 -0.629 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.410 6.658 -2.807 1.00 0.00 C ATOM 0 H THR A 133 -2.011 5.245 0.272 1.00 0.00 H new ATOM 0 HA THR A 133 -1.030 6.513 -2.074 1.00 0.00 H new ATOM 0 HB THR A 133 -3.332 7.793 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 133 -4.103 6.173 0.180 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.493 6.720 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.945 7.456 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 133 -3.065 5.693 -3.177 1.00 0.00 H new ATOM 1060 N SER A 134 -1.274 8.337 0.662 1.00 0.00 N ATOM 1061 CA SER A 134 -0.826 9.572 1.293 1.00 0.00 C ATOM 1062 C SER A 134 0.393 9.292 2.159 1.00 0.00 C ATOM 1063 O SER A 134 0.662 9.998 3.131 1.00 0.00 O ATOM 1064 CB SER A 134 -1.946 10.178 2.140 1.00 0.00 C ATOM 1065 OG SER A 134 -1.612 11.489 2.565 1.00 0.00 O ATOM 0 H SER A 134 -1.802 7.718 1.277 1.00 0.00 H new ATOM 0 HA SER A 134 -0.557 10.287 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.870 10.204 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.131 9.547 3.009 1.00 0.00 H new ATOM 0 HG SER A 134 -0.727 11.481 2.986 1.00 0.00 H new ATOM 1071 N PHE A 135 1.120 8.241 1.796 1.00 0.00 N ATOM 1072 CA PHE A 135 2.310 7.834 2.529 1.00 0.00 C ATOM 1073 C PHE A 135 3.526 8.653 2.102 1.00 0.00 C ATOM 1074 O PHE A 135 3.996 8.546 0.969 1.00 0.00 O ATOM 1075 CB PHE A 135 2.552 6.342 2.306 1.00 0.00 C ATOM 1076 CG PHE A 135 3.683 5.774 3.113 1.00 0.00 C ATOM 1077 CD1 PHE A 135 3.884 6.169 4.425 1.00 0.00 C ATOM 1078 CD2 PHE A 135 4.537 4.834 2.560 1.00 0.00 C ATOM 1079 CE1 PHE A 135 4.918 5.639 5.171 1.00 0.00 C ATOM 1080 CE2 PHE A 135 5.572 4.299 3.301 1.00 0.00 C ATOM 1081 CZ PHE A 135 5.763 4.702 4.609 1.00 0.00 C ATOM 0 H PHE A 135 0.902 7.652 0.992 1.00 0.00 H new ATOM 0 HA PHE A 135 2.153 8.018 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.639 5.797 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.754 6.172 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 135 3.225 6.900 4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.392 4.516 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 135 5.066 5.957 6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.231 3.567 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.572 4.285 5.191 1.00 0.00 H new ATOM 1091 N LYS A 136 4.019 9.479 3.022 1.00 0.00 N ATOM 1092 CA LYS A 136 5.171 10.345 2.769 1.00 0.00 C ATOM 1093 C LYS A 136 6.306 9.617 2.047 1.00 0.00 C ATOM 1094 O LYS A 136 7.098 10.241 1.343 1.00 0.00 O ATOM 1095 CB LYS A 136 5.691 10.921 4.087 1.00 0.00 C ATOM 1096 CG LYS A 136 4.728 11.894 4.748 1.00 0.00 C ATOM 1097 CD LYS A 136 4.926 11.937 6.254 1.00 0.00 C ATOM 1098 CE LYS A 136 5.827 13.090 6.666 1.00 0.00 C ATOM 1099 NZ LYS A 136 7.176 12.989 6.045 1.00 0.00 N1+ ATOM 0 H LYS A 136 3.633 9.568 3.962 1.00 0.00 H new ATOM 0 HA LYS A 136 4.829 11.148 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.896 10.102 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.638 11.428 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 136 4.874 12.891 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 136 3.702 11.602 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 136 3.959 12.036 6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 136 5.360 10.996 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.364 14.034 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.927 13.103 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.824 13.655 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.537 12.020 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.111 13.221 5.033 1.00 0.00 H new ATOM 1113 N LYS A 137 6.389 8.304 2.226 1.00 0.00 N ATOM 1114 CA LYS A 137 7.441 7.520 1.590 1.00 0.00 C ATOM 1115 C LYS A 137 7.078 7.190 0.149 1.00 0.00 C ATOM 1116 O LYS A 137 7.949 7.117 -0.719 1.00 0.00 O ATOM 1117 CB LYS A 137 7.695 6.234 2.379 1.00 0.00 C ATOM 1118 CG LYS A 137 9.152 6.037 2.767 1.00 0.00 C ATOM 1119 CD LYS A 137 9.983 5.556 1.588 1.00 0.00 C ATOM 1120 CE LYS A 137 11.469 5.596 1.904 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.280 4.927 0.848 1.00 0.00 N1+ ATOM 0 H LYS A 137 5.745 7.762 2.802 1.00 0.00 H new ATOM 0 HA LYS A 137 8.353 8.117 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.085 6.245 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.367 5.382 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 137 9.560 6.976 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.219 5.313 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 137 9.692 4.538 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.778 6.179 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 137 11.791 6.632 2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 137 11.649 5.110 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.288 4.976 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 11.991 3.931 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.128 5.406 -0.062 1.00 0.00 H new ATOM 1135 N VAL A 138 5.789 6.994 -0.104 1.00 0.00 N ATOM 1136 CA VAL A 138 5.321 6.673 -1.443 1.00 0.00 C ATOM 1137 C VAL A 138 5.097 7.939 -2.259 1.00 0.00 C ATOM 1138 O VAL A 138 5.492 8.015 -3.421 1.00 0.00 O ATOM 1139 CB VAL A 138 4.023 5.835 -1.404 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.339 5.817 -2.765 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.321 4.417 -0.935 1.00 0.00 C ATOM 0 H VAL A 138 5.053 7.052 0.600 1.00 0.00 H new ATOM 0 HA VAL A 138 6.098 6.077 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 138 3.341 6.301 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.429 5.220 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.087 6.836 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.012 5.382 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.397 3.839 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.026 3.948 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.754 4.448 0.065 1.00 0.00 H new ATOM 1151 N LYS A 139 4.456 8.930 -1.654 1.00 0.00 N ATOM 1152 CA LYS A 139 4.190 10.177 -2.352 1.00 0.00 C ATOM 1153 C LYS A 139 5.485 10.855 -2.779 1.00 0.00 C ATOM 1154 O LYS A 139 5.484 11.710 -3.665 1.00 0.00 O ATOM 1155 CB LYS A 139 3.372 11.133 -1.493 1.00 0.00 C ATOM 1156 CG LYS A 139 4.028 11.488 -0.170 1.00 0.00 C ATOM 1157 CD LYS A 139 3.034 12.125 0.792 1.00 0.00 C ATOM 1158 CE LYS A 139 3.498 13.500 1.246 1.00 0.00 C ATOM 1159 NZ LYS A 139 2.893 14.588 0.430 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.115 8.895 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 139 3.612 9.927 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 139 3.193 12.049 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.398 10.685 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.448 10.589 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.857 12.174 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.061 12.210 0.308 1.00 0.00 H new ATOM 0 HD3 LYS A 139 2.902 11.480 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 139 3.236 13.644 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 139 4.584 13.557 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.235 15.509 0.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 3.164 14.466 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.857 14.550 0.514 1.00 0.00 H new ATOM 1173 N HIS A 140 6.595 10.461 -2.159 1.00 0.00 N ATOM 1174 CA HIS A 140 7.892 11.028 -2.499 1.00 0.00 C ATOM 1175 C HIS A 140 8.210 10.786 -3.973 1.00 0.00 C ATOM 1176 O HIS A 140 9.127 11.392 -4.528 1.00 0.00 O ATOM 1177 CB HIS A 140 8.986 10.418 -1.619 1.00 0.00 C ATOM 1178 CG HIS A 140 9.980 11.421 -1.120 1.00 0.00 C ATOM 1179 ND1 HIS A 140 9.909 11.991 0.134 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.075 11.954 -1.713 1.00 0.00 C ATOM 1181 CE1 HIS A 140 10.916 12.833 0.290 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.637 12.828 -0.816 1.00 0.00 N ATOM 0 H HIS A 140 6.620 9.755 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 140 7.856 12.103 -2.321 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.521 9.923 -0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.511 9.649 -2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.438 11.733 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 140 11.115 13.424 1.172 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.477 13.384 -0.978 1.00 0.00 H new ATOM 1191 N LEU A 141 7.441 9.898 -4.603 1.00 0.00 N ATOM 1192 CA LEU A 141 7.639 9.580 -6.012 1.00 0.00 C ATOM 1193 C LEU A 141 6.932 10.597 -6.900 1.00 0.00 C ATOM 1194 O LEU A 141 7.569 11.343 -7.643 1.00 0.00 O ATOM 1195 CB LEU A 141 7.105 8.181 -6.324 1.00 0.00 C ATOM 1196 CG LEU A 141 7.380 7.122 -5.257 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.260 6.092 -5.233 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.722 6.451 -5.506 1.00 0.00 C ATOM 0 H LEU A 141 6.677 9.388 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 141 8.709 9.613 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 141 6.028 8.247 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.540 7.846 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 141 7.419 7.611 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.470 5.344 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.315 6.587 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.192 5.606 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.901 5.700 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.713 5.973 -6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.514 7.199 -5.475 1.00 0.00 H new ATOM 1210 N THR A 142 5.608 10.608 -6.818 1.00 0.00 N ATOM 1211 CA THR A 142 4.790 11.517 -7.610 1.00 0.00 C ATOM 1212 C THR A 142 3.387 11.600 -7.031 1.00 0.00 C ATOM 1213 O THR A 142 3.122 11.081 -5.946 1.00 0.00 O ATOM 1214 CB THR A 142 4.715 11.029 -9.061 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.813 10.185 -9.364 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.710 12.153 -10.073 1.00 0.00 C ATOM 0 H THR A 142 5.074 9.992 -6.205 1.00 0.00 H new ATOM 0 HA THR A 142 5.247 12.506 -7.585 1.00 0.00 H new ATOM 0 HB THR A 142 3.770 10.492 -9.135 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.746 9.883 -10.294 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.656 11.737 -11.079 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.847 12.795 -9.899 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.624 12.738 -9.972 1.00 0.00 H new ATOM 1224 N ARG A 143 2.482 12.224 -7.773 1.00 0.00 N ATOM 1225 CA ARG A 143 1.097 12.334 -7.342 1.00 0.00 C ATOM 1226 C ARG A 143 0.322 11.087 -7.768 1.00 0.00 C ATOM 1227 O ARG A 143 -0.908 11.068 -7.743 1.00 0.00 O ATOM 1228 CB ARG A 143 0.450 13.587 -7.936 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.389 14.370 -6.938 1.00 0.00 C ATOM 1230 CD ARG A 143 0.415 15.482 -6.282 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.343 16.727 -6.196 1.00 0.00 N ATOM 1232 CZ ARG A 143 0.212 17.922 -6.003 1.00 0.00 C ATOM 1233 NH1 ARG A 143 1.528 18.036 -5.874 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -0.551 19.004 -5.937 1.00 0.00 N ATOM 0 H ARG A 143 2.682 12.660 -8.673 1.00 0.00 H new ATOM 0 HA ARG A 143 1.072 12.416 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.231 14.237 -8.330 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.179 13.297 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -1.255 14.796 -7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -0.769 13.694 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.715 15.171 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 143 1.329 15.653 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 143 -1.358 16.679 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 143 2.119 17.206 -5.923 1.00 0.00 H new ATOM 0 HH12 ARG A 143 1.948 18.954 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.563 18.921 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -0.126 19.919 -5.789 1.00 0.00 H new ATOM 1248 N ASP A 144 1.061 10.051 -8.167 1.00 0.00 N ATOM 1249 CA ASP A 144 0.471 8.799 -8.613 1.00 0.00 C ATOM 1250 C ASP A 144 0.142 7.887 -7.435 1.00 0.00 C ATOM 1251 O ASP A 144 0.504 6.710 -7.427 1.00 0.00 O ATOM 1252 CB ASP A 144 1.431 8.091 -9.572 1.00 0.00 C ATOM 1253 CG ASP A 144 1.209 8.498 -11.016 1.00 0.00 C ATOM 1254 OD1 ASP A 144 0.043 8.743 -11.391 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 2.200 8.570 -11.771 1.00 0.00 O ATOM 0 H ASP A 144 2.081 10.061 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.462 9.027 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.458 8.318 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.305 7.012 -9.478 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.565 8.427 -6.449 1.00 0.00 N ATOM 1261 CA TRP A 145 -0.957 7.650 -5.288 1.00 0.00 C ATOM 1262 C TRP A 145 -2.063 6.684 -5.688 1.00 0.00 C ATOM 1263 O TRP A 145 -2.032 5.505 -5.340 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.392 8.587 -4.161 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.402 9.688 -3.920 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.895 9.725 -4.349 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.620 10.907 -3.200 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.496 10.888 -3.942 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.587 11.632 -3.234 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.718 11.456 -2.531 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.725 12.877 -2.623 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.579 12.691 -1.926 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.366 13.389 -1.976 1.00 0.00 C ATOM 0 H TRP A 145 -0.876 9.398 -6.434 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.114 7.066 -4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.361 9.021 -4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.523 8.012 -3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.377 8.950 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.461 11.156 -4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.657 10.925 -2.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.659 13.418 -2.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.420 13.125 -1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.290 14.352 -1.493 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.015 7.181 -6.472 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.104 6.347 -6.979 1.00 0.00 C ATOM 1286 C ARG A 146 -3.524 5.127 -7.683 1.00 0.00 C ATOM 1287 O ARG A 146 -4.115 4.043 -7.684 1.00 0.00 O ATOM 1288 CB ARG A 146 -4.975 7.140 -7.964 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.184 7.963 -8.972 1.00 0.00 C ATOM 1290 CD ARG A 146 -4.958 9.196 -9.410 1.00 0.00 C ATOM 1291 NE ARG A 146 -4.313 9.884 -10.527 1.00 0.00 N ATOM 1292 CZ ARG A 146 -3.408 10.852 -10.385 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -3.027 11.246 -9.176 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -2.879 11.424 -11.457 1.00 0.00 N ATOM 0 H ARG A 146 -3.056 8.155 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.723 6.030 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.618 6.445 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.628 7.806 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.234 8.265 -8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -3.951 7.349 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -5.968 8.905 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -5.052 9.882 -8.568 1.00 0.00 H new ATOM 0 HE ARG A 146 -4.572 9.606 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -3.427 10.807 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -2.334 11.988 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -3.165 11.123 -12.389 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -2.186 12.165 -11.350 1.00 0.00 H new ATOM 1308 N THR A 147 -2.348 5.317 -8.270 1.00 0.00 N ATOM 1309 CA THR A 147 -1.661 4.246 -8.970 1.00 0.00 C ATOM 1310 C THR A 147 -1.065 3.269 -7.969 1.00 0.00 C ATOM 1311 O THR A 147 -0.901 2.088 -8.264 1.00 0.00 O ATOM 1312 CB THR A 147 -0.587 4.807 -9.912 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.689 4.794 -9.299 1.00 0.00 O ATOM 1314 CG2 THR A 147 -0.863 6.225 -10.369 1.00 0.00 C ATOM 0 H THR A 147 -1.851 6.208 -8.273 1.00 0.00 H new ATOM 0 HA THR A 147 -2.383 3.709 -9.585 1.00 0.00 H new ATOM 0 HB THR A 147 -0.610 4.151 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.636 5.231 -8.424 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.063 6.556 -11.032 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.813 6.257 -10.903 1.00 0.00 H new ATOM 0 HG23 THR A 147 -0.912 6.884 -9.502 1.00 0.00 H new ATOM 1322 N THR A 148 -0.771 3.763 -6.770 1.00 0.00 N ATOM 1323 CA THR A 148 -0.227 2.918 -5.716 1.00 0.00 C ATOM 1324 C THR A 148 -1.206 1.796 -5.391 1.00 0.00 C ATOM 1325 O THR A 148 -0.811 0.714 -4.956 1.00 0.00 O ATOM 1326 CB THR A 148 0.050 3.741 -4.454 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.979 4.776 -4.719 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.594 2.914 -3.307 1.00 0.00 C ATOM 0 H THR A 148 -0.900 4.740 -6.506 1.00 0.00 H new ATOM 0 HA THR A 148 0.711 2.490 -6.068 1.00 0.00 H new ATOM 0 HB THR A 148 -0.917 4.149 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.724 5.241 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.768 3.558 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.127 2.140 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.533 2.448 -3.607 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.491 2.068 -5.605 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.535 1.092 -5.336 1.00 0.00 C ATOM 1338 C ALA A 149 -3.611 0.046 -6.445 1.00 0.00 C ATOM 1339 O ALA A 149 -3.551 -1.154 -6.181 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.875 1.791 -5.162 1.00 0.00 C ATOM 0 H ALA A 149 -2.831 2.960 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.288 0.574 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.649 1.050 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.816 2.489 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.122 2.336 -6.073 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.738 0.505 -7.688 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.815 -0.410 -8.825 1.00 0.00 C ATOM 1348 C HIS A 150 -2.471 -1.078 -9.072 1.00 0.00 C ATOM 1349 O HIS A 150 -2.405 -2.272 -9.358 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.263 0.330 -10.084 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.681 0.042 -10.477 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.340 0.731 -11.473 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.566 -0.866 -10.002 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.568 0.259 -11.595 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.730 -0.711 -10.713 1.00 0.00 N ATOM 0 H HIS A 150 -3.789 1.494 -7.933 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.551 -1.178 -8.586 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.150 1.402 -9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.604 0.059 -10.909 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.389 -1.580 -9.211 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.312 0.607 -12.296 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.582 -1.256 -10.582 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.397 -0.305 -8.961 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.055 -0.838 -9.172 1.00 0.00 C ATOM 1366 C ALA A 151 0.155 -2.099 -8.345 1.00 0.00 C ATOM 1367 O ALA A 151 0.612 -3.123 -8.855 1.00 0.00 O ATOM 1368 CB ALA A 151 0.995 0.202 -8.818 1.00 0.00 C ATOM 0 H ALA A 151 -1.428 0.687 -8.727 1.00 0.00 H new ATOM 0 HA ALA A 151 0.049 -1.092 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.989 -0.214 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.862 1.082 -9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.888 0.485 -7.771 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.194 -2.018 -7.068 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.061 -3.146 -6.164 1.00 0.00 C ATOM 1376 C LEU A 152 -0.917 -4.309 -6.625 1.00 0.00 C ATOM 1377 O LEU A 152 -0.576 -5.470 -6.422 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.457 -2.711 -4.765 1.00 0.00 C ATOM 1379 CG LEU A 152 0.709 -2.296 -3.883 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.816 -1.641 -4.706 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.231 -1.359 -2.788 1.00 0.00 C ATOM 0 H LEU A 152 -0.573 -1.176 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 152 0.976 -3.481 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.154 -1.877 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.990 -3.529 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 152 1.123 -3.192 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.637 -1.354 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.179 -2.346 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.423 -0.754 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.076 -1.069 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.210 -0.469 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.516 -1.865 -2.176 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.024 -3.982 -7.264 1.00 0.00 N ATOM 1394 CA LYS A 153 -2.932 -4.997 -7.793 1.00 0.00 C ATOM 1395 C LYS A 153 -2.143 -6.030 -8.600 1.00 0.00 C ATOM 1396 O LYS A 153 -2.542 -7.190 -8.709 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.002 -4.349 -8.676 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.213 -5.235 -8.924 1.00 0.00 C ATOM 1399 CD LYS A 153 -5.967 -4.807 -10.173 1.00 0.00 C ATOM 1400 CE LYS A 153 -6.828 -5.935 -10.717 1.00 0.00 C ATOM 1401 NZ LYS A 153 -6.960 -5.871 -12.198 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.322 -3.021 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.425 -5.495 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.332 -3.421 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.556 -4.082 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.892 -6.271 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.879 -5.193 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.595 -3.947 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -5.257 -4.489 -10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.392 -6.893 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.818 -5.887 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.555 -6.658 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.399 -4.968 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.018 -5.942 -12.634 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.010 -5.591 -9.149 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.138 -6.460 -9.935 1.00 0.00 C ATOM 1417 C TYR A 154 1.124 -6.804 -9.143 1.00 0.00 C ATOM 1418 O TYR A 154 2.154 -7.167 -9.713 1.00 0.00 O ATOM 1419 CB TYR A 154 0.241 -5.783 -11.254 1.00 0.00 C ATOM 1420 CG TYR A 154 -0.940 -5.190 -11.990 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -1.348 -3.884 -11.747 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.645 -5.935 -12.927 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -2.427 -3.338 -12.418 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -2.724 -5.396 -13.601 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.111 -4.098 -13.342 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.184 -3.557 -14.012 1.00 0.00 O ATOM 0 H TYR A 154 -0.674 -4.632 -9.062 1.00 0.00 H new ATOM 0 HA TYR A 154 -0.678 -7.381 -10.155 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.967 -4.995 -11.053 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.732 -6.512 -11.899 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -0.814 -3.286 -11.023 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.345 -6.952 -13.132 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -2.732 -2.321 -12.219 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.261 -5.988 -14.327 1.00 0.00 H new ATOM 0 HH TYR A 154 -4.554 -4.223 -14.628 1.00 0.00 H new ATOM 1436 N SER A 155 1.027 -6.685 -7.823 1.00 0.00 N ATOM 1437 CA SER A 155 2.129 -6.974 -6.923 1.00 0.00 C ATOM 1438 C SER A 155 1.879 -8.289 -6.216 1.00 0.00 C ATOM 1439 O SER A 155 1.081 -8.364 -5.282 1.00 0.00 O ATOM 1440 CB SER A 155 2.277 -5.855 -5.894 1.00 0.00 C ATOM 1441 OG SER A 155 3.255 -6.182 -4.922 1.00 0.00 O ATOM 0 H SER A 155 0.176 -6.384 -7.349 1.00 0.00 H new ATOM 0 HA SER A 155 3.049 -7.044 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.555 -4.929 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.319 -5.677 -5.405 1.00 0.00 H new ATOM 0 HG SER A 155 3.200 -5.549 -4.176 1.00 0.00 H new ATOM 1447 N VAL A 156 2.547 -9.326 -6.677 1.00 0.00 N ATOM 1448 CA VAL A 156 2.380 -10.643 -6.103 1.00 0.00 C ATOM 1449 C VAL A 156 3.519 -10.993 -5.147 1.00 0.00 C ATOM 1450 O VAL A 156 3.586 -12.107 -4.629 1.00 0.00 O ATOM 1451 CB VAL A 156 2.264 -11.693 -7.216 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.585 -11.852 -7.953 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.782 -13.022 -6.658 1.00 0.00 C ATOM 0 H VAL A 156 3.212 -9.281 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 156 1.459 -10.640 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 156 1.523 -11.344 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 156 3.476 -12.602 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.870 -10.899 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 156 4.357 -12.169 -7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.708 -13.750 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.489 -13.381 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.803 -12.890 -6.198 1.00 0.00 H new ATOM 1463 N VAL A 157 4.400 -10.024 -4.897 1.00 0.00 N ATOM 1464 CA VAL A 157 5.514 -10.226 -3.982 1.00 0.00 C ATOM 1465 C VAL A 157 5.018 -10.157 -2.543 1.00 0.00 C ATOM 1466 O VAL A 157 5.445 -10.930 -1.685 1.00 0.00 O ATOM 1467 CB VAL A 157 6.620 -9.174 -4.189 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.812 -9.463 -3.289 1.00 0.00 C ATOM 1469 CG2 VAL A 157 7.045 -9.128 -5.650 1.00 0.00 C ATOM 0 H VAL A 157 4.361 -9.095 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 157 5.937 -11.209 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 157 6.220 -8.197 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.582 -8.708 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.495 -9.440 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.215 -10.448 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.827 -8.379 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.425 -10.105 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.188 -8.867 -6.270 1.00 0.00 H new ATOM 1479 N LEU A 158 4.094 -9.232 -2.299 1.00 0.00 N ATOM 1480 CA LEU A 158 3.504 -9.055 -0.981 1.00 0.00 C ATOM 1481 C LEU A 158 2.072 -9.572 -1.007 1.00 0.00 C ATOM 1482 O LEU A 158 1.500 -9.759 -2.081 1.00 0.00 O ATOM 1483 CB LEU A 158 3.504 -7.573 -0.577 1.00 0.00 C ATOM 1484 CG LEU A 158 4.878 -6.899 -0.447 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.569 -7.314 0.843 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.757 -7.208 -1.649 1.00 0.00 C ATOM 0 H LEU A 158 3.737 -8.589 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 158 4.094 -9.611 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.920 -7.019 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 158 2.986 -7.479 0.378 1.00 0.00 H new ATOM 0 HG LEU A 158 4.716 -5.822 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.540 -6.823 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 158 4.955 -7.022 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.708 -8.395 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.723 -6.718 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.904 -8.285 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.275 -6.843 -2.556 1.00 0.00 H new ATOM 1498 N GLU A 159 1.479 -9.785 0.160 1.00 0.00 N ATOM 1499 CA GLU A 159 0.103 -10.255 0.215 1.00 0.00 C ATOM 1500 C GLU A 159 -0.825 -9.068 0.435 1.00 0.00 C ATOM 1501 O GLU A 159 -0.845 -8.475 1.504 1.00 0.00 O ATOM 1502 CB GLU A 159 -0.064 -11.300 1.327 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.497 -11.463 1.813 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.439 -11.907 0.712 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.001 -12.674 -0.171 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 -3.615 -11.486 0.733 1.00 0.00 O ATOM 0 H GLU A 159 1.921 -9.642 1.068 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.155 -10.734 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.298 -12.262 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.566 -11.021 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.521 -12.192 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.847 -10.517 2.226 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.580 -8.727 -0.595 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.502 -7.601 -0.542 1.00 0.00 C ATOM 1515 C LEU A 160 -3.842 -8.015 0.045 1.00 0.00 C ATOM 1516 O LEU A 160 -4.278 -9.148 -0.160 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.741 -7.090 -1.964 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.730 -6.089 -2.516 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.336 -4.695 -2.595 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.449 -6.105 -1.694 1.00 0.00 C ATOM 0 H LEU A 160 -1.573 -9.219 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.062 -6.828 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.768 -7.950 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.728 -6.629 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.468 -6.387 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.597 -3.999 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.206 -4.713 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.640 -4.373 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.257 -5.384 -2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.676 -5.841 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -0.009 -7.102 -1.725 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.537 -7.094 0.722 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.860 -7.449 1.233 1.00 0.00 C ATOM 1534 C ASN A 161 -6.709 -7.695 0.018 1.00 0.00 C ATOM 1535 O ASN A 161 -6.389 -7.123 -1.023 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.489 -6.346 2.088 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.979 -6.546 2.301 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.789 -5.846 1.515 1.00 0.00 O flip ATOM 1539 ND2 ASN A 161 -8.396 -7.321 3.162 1.00 0.00 N flip ATOM 0 H ASN A 161 -4.224 -6.144 0.921 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.783 -8.319 1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.989 -6.313 3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.321 -5.381 1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -7.738 -7.839 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -9.400 -7.445 3.293 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.752 -8.528 0.196 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.689 -8.987 -0.853 1.00 0.00 C ATOM 1548 C GLU A 162 -9.037 -7.974 -1.933 1.00 0.00 C ATOM 1549 O GLU A 162 -8.901 -8.280 -3.119 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.978 -9.480 -0.197 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.747 -8.391 0.533 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.907 -8.938 1.341 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -11.838 -10.114 1.758 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -12.884 -8.191 1.558 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.976 -8.917 1.112 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.155 -9.782 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.621 -9.916 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.736 -10.276 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.068 -7.854 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.122 -7.668 -0.192 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.454 -6.782 -1.567 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.769 -5.782 -2.576 1.00 0.00 C ATOM 1563 C ASP A 163 -8.480 -5.081 -2.932 1.00 0.00 C ATOM 1564 O ASP A 163 -8.459 -3.894 -3.259 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.802 -4.782 -2.051 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.220 -5.307 -2.156 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.812 -5.206 -3.251 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -12.739 -5.820 -1.142 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.583 -6.481 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.204 -6.255 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.580 -4.548 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.720 -3.851 -2.612 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.389 -5.837 -2.783 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.053 -5.340 -2.988 1.00 0.00 C ATOM 1575 C HIS A 164 -5.941 -3.964 -2.394 1.00 0.00 C ATOM 1576 O HIS A 164 -5.199 -3.101 -2.864 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.640 -5.406 -4.448 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.481 -6.826 -4.891 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.187 -7.196 -6.185 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.579 -7.980 -4.181 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.112 -8.514 -6.256 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.345 -9.013 -5.055 1.00 0.00 N ATOM 0 H HIS A 164 -7.424 -6.820 -2.513 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.342 -5.984 -2.470 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.389 -4.909 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.702 -4.869 -4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.799 -8.068 -3.127 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.897 -9.087 -7.146 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.350 -10.005 -4.816 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.695 -3.801 -1.315 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.719 -2.582 -0.578 1.00 0.00 C ATOM 1593 C ARG A 165 -5.638 -2.620 0.466 1.00 0.00 C ATOM 1594 O ARG A 165 -5.295 -1.582 1.032 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.086 -2.362 0.074 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.180 -1.979 -0.912 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.754 -0.819 -1.799 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.816 0.172 -1.951 1.00 0.00 N ATOM 1599 CZ ARG A 165 -9.861 1.065 -2.939 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -8.905 1.097 -3.860 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.865 1.929 -3.005 1.00 0.00 N ATOM 0 H ARG A 165 -7.305 -4.527 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.541 -1.750 -1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.381 -3.273 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.998 -1.579 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.429 -2.840 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -10.084 -1.708 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.871 -0.342 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.469 -1.199 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.567 0.181 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -8.130 0.435 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -8.946 1.783 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.602 1.910 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -10.900 2.613 -3.761 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.065 -3.809 0.730 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.991 -3.831 1.734 1.00 0.00 C ATOM 1617 C LYS A 166 -2.745 -4.511 1.218 1.00 0.00 C ATOM 1618 O LYS A 166 -2.698 -4.962 0.078 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.439 -4.474 3.046 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.721 -3.874 3.615 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.489 -3.234 4.977 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.324 -3.904 6.056 1.00 0.00 C ATOM 1623 NZ LYS A 166 -6.038 -3.349 7.407 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.304 -4.702 0.299 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.749 -2.788 1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.588 -5.542 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.642 -4.371 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -6.111 -3.127 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.479 -4.652 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -4.433 -3.303 5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.737 -2.174 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.382 -3.775 5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.126 -4.976 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -6.628 -3.833 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -5.034 -3.494 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -6.252 -2.331 7.417 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.736 -4.576 2.072 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.483 -5.204 1.716 1.00 0.00 C ATOM 1639 C VAL A 167 0.232 -5.714 2.952 1.00 0.00 C ATOM 1640 O VAL A 167 1.012 -5.011 3.591 1.00 0.00 O ATOM 1641 CB VAL A 167 0.425 -4.261 0.903 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.607 -2.921 1.604 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.772 -4.913 0.622 1.00 0.00 C ATOM 0 H VAL A 167 -1.765 -4.199 3.019 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.716 -6.055 1.076 1.00 0.00 H new ATOM 0 HB VAL A 167 -0.068 -4.071 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.253 -2.281 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.364 -2.441 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 167 1.062 -3.081 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.395 -4.228 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.266 -5.148 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.621 -5.830 0.053 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.063 -6.958 3.274 1.00 0.00 N ATOM 1654 CA ARG A 168 0.528 -7.625 4.429 1.00 0.00 C ATOM 1655 C ARG A 168 1.545 -8.670 3.982 1.00 0.00 C ATOM 1656 O ARG A 168 1.448 -9.205 2.879 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.563 -8.291 5.270 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.089 -8.738 6.644 1.00 0.00 C ATOM 1659 CD ARG A 168 -0.964 -9.850 7.202 1.00 0.00 C ATOM 1660 NE ARG A 168 -0.917 -11.052 6.372 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.354 -12.245 6.770 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -1.872 -12.399 7.983 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.274 -13.286 5.953 1.00 0.00 N ATOM 0 H ARG A 168 -0.716 -7.538 2.747 1.00 0.00 H new ATOM 0 HA ARG A 168 1.038 -6.875 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.392 -7.594 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -0.949 -9.155 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.943 -9.083 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.099 -7.889 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.639 -10.095 8.213 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -1.994 -9.499 7.275 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.527 -10.972 5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -1.937 -11.601 8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -2.205 -13.315 8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -0.878 -13.173 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -1.609 -14.200 6.257 1.00 0.00 H new ATOM 1677 N ARG A 169 2.515 -8.964 4.843 1.00 0.00 N ATOM 1678 CA ARG A 169 3.535 -9.957 4.522 1.00 0.00 C ATOM 1679 C ARG A 169 3.185 -11.303 5.144 1.00 0.00 C ATOM 1680 O ARG A 169 2.964 -11.403 6.351 1.00 0.00 O ATOM 1681 CB ARG A 169 4.911 -9.497 5.011 1.00 0.00 C ATOM 1682 CG ARG A 169 5.754 -8.849 3.923 1.00 0.00 C ATOM 1683 CD ARG A 169 7.207 -9.292 4.000 1.00 0.00 C ATOM 1684 NE ARG A 169 7.718 -9.717 2.698 1.00 0.00 N ATOM 1685 CZ ARG A 169 8.904 -10.296 2.520 1.00 0.00 C ATOM 1686 NH1 ARG A 169 9.703 -10.519 3.555 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 9.291 -10.651 1.302 1.00 0.00 N ATOM 0 H ARG A 169 2.616 -8.532 5.762 1.00 0.00 H new ATOM 0 HA ARG A 169 3.569 -10.068 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.779 -8.788 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.450 -10.354 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.346 -9.106 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 169 5.699 -7.764 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.817 -8.472 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 169 7.299 -10.113 4.711 1.00 0.00 H new ATOM 0 HE ARG A 169 7.132 -9.561 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 169 9.410 -10.247 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 169 10.610 -10.963 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 169 8.680 -10.480 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 169 10.199 -11.095 1.164 1.00 0.00 H new ATOM 1701 N THR A 170 3.130 -12.336 4.311 1.00 0.00 N ATOM 1702 CA THR A 170 2.801 -13.677 4.778 1.00 0.00 C ATOM 1703 C THR A 170 3.908 -14.246 5.662 1.00 0.00 C ATOM 1704 O THR A 170 3.687 -15.202 6.405 1.00 0.00 O ATOM 1705 CB THR A 170 2.560 -14.607 3.587 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.754 -14.799 2.850 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.507 -14.090 2.629 1.00 0.00 C ATOM 0 H THR A 170 3.309 -12.270 3.309 1.00 0.00 H new ATOM 0 HA THR A 170 1.891 -13.608 5.374 1.00 0.00 H new ATOM 0 HB THR A 170 2.208 -15.544 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.579 -15.398 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.385 -14.796 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.559 -13.978 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.818 -13.123 2.233 1.00 0.00 H new ATOM 1715 N THR A 171 5.102 -13.661 5.577 1.00 0.00 N ATOM 1716 CA THR A 171 6.230 -14.130 6.372 1.00 0.00 C ATOM 1717 C THR A 171 7.293 -13.044 6.530 1.00 0.00 C ATOM 1718 O THR A 171 8.374 -13.134 5.948 1.00 0.00 O ATOM 1719 CB THR A 171 6.849 -15.366 5.722 1.00 0.00 C ATOM 1720 OG1 THR A 171 7.972 -15.815 6.460 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.300 -15.122 4.299 1.00 0.00 C ATOM 0 H THR A 171 5.310 -12.868 4.970 1.00 0.00 H new ATOM 0 HA THR A 171 5.856 -14.385 7.364 1.00 0.00 H new ATOM 0 HB THR A 171 6.060 -16.118 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.352 -16.608 6.027 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.731 -16.037 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.445 -14.822 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.050 -14.331 4.285 1.00 0.00 H new ATOM 1729 N PRO A 172 7.008 -12.003 7.332 1.00 0.00 N ATOM 1730 CA PRO A 172 7.957 -10.910 7.566 1.00 0.00 C ATOM 1731 C PRO A 172 9.303 -11.430 8.057 1.00 0.00 C ATOM 1732 O PRO A 172 9.372 -12.475 8.704 1.00 0.00 O ATOM 1733 CB PRO A 172 7.279 -10.072 8.653 1.00 0.00 C ATOM 1734 CG PRO A 172 5.827 -10.384 8.526 1.00 0.00 C ATOM 1735 CD PRO A 172 5.750 -11.815 8.076 1.00 0.00 C ATOM 0 HA PRO A 172 8.173 -10.348 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.654 -10.331 9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 172 7.469 -9.008 8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 172 5.313 -10.246 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.347 -9.722 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.676 -12.499 8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.879 -11.992 7.445 1.00 0.00 H new