USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 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 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 130 LYS NZ :NH3+ -147:sc= -1.37 (180deg=-2.84!) USER MOD Set 1.3: A 166 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0336) 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= -0.479 K(o=-0.48,f=-1.3) USER MOD Single : A 103 TYR OH : rot -112:sc= -0.552! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.6!) 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 133 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 134 SER OG : rot 180:sc= -1.06 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+ 170:sc= -1.61 (180deg=-1.93) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 142 THR OG1 : rot 180:sc=-0.000833 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 150 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.2) 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 -140:sc= -3.67! USER MOD Single : A 161 ASN : amide:sc= -0.813 K(o=-0.81,f=-4.2!) USER MOD Single : A 164 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-2.9) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -67:sc= 0.755 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -5.715 2.827 -16.992 1.00 0.00 N ATOM 258 CA PRO A 87 -4.694 1.952 -16.408 1.00 0.00 C ATOM 259 C PRO A 87 -3.278 2.468 -16.652 1.00 0.00 C ATOM 260 O PRO A 87 -2.937 2.862 -17.768 1.00 0.00 O ATOM 261 CB PRO A 87 -4.900 0.611 -17.129 1.00 0.00 C ATOM 262 CG PRO A 87 -6.237 0.711 -17.782 1.00 0.00 C ATOM 263 CD PRO A 87 -6.436 2.165 -18.089 1.00 0.00 C ATOM 0 HA PRO A 87 -4.796 1.887 -15.325 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.116 0.437 -17.866 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -4.868 -0.221 -16.426 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.274 0.111 -18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.022 0.340 -17.123 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.027 2.433 -19.063 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.492 2.436 -18.102 1.00 0.00 H new ATOM 271 N PRO A 88 -2.427 2.469 -15.609 1.00 0.00 N ATOM 272 CA PRO A 88 -1.042 2.934 -15.723 1.00 0.00 C ATOM 273 C PRO A 88 -0.152 1.913 -16.425 1.00 0.00 C ATOM 274 O PRO A 88 -0.645 0.972 -17.048 1.00 0.00 O ATOM 275 CB PRO A 88 -0.616 3.101 -14.265 1.00 0.00 C ATOM 276 CG PRO A 88 -1.418 2.085 -13.530 1.00 0.00 C ATOM 277 CD PRO A 88 -2.744 2.015 -14.240 1.00 0.00 C ATOM 0 HA PRO A 88 -0.956 3.844 -16.316 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.453 2.930 -14.141 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.822 4.108 -13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.920 1.115 -13.536 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.548 2.370 -12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.148 1.003 -14.236 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.487 2.657 -13.766 1.00 0.00 H new ATOM 285 N ASP A 89 1.158 2.095 -16.309 1.00 0.00 N ATOM 286 CA ASP A 89 2.110 1.191 -16.915 1.00 0.00 C ATOM 287 C ASP A 89 2.978 0.555 -15.842 1.00 0.00 C ATOM 288 O ASP A 89 3.240 1.160 -14.803 1.00 0.00 O ATOM 289 CB ASP A 89 2.981 1.927 -17.934 1.00 0.00 C ATOM 290 CG ASP A 89 3.879 0.987 -18.716 1.00 0.00 C ATOM 291 OD1 ASP A 89 3.661 -0.241 -18.643 1.00 0.00 O ATOM 292 OD2 ASP A 89 4.800 1.480 -19.400 1.00 0.00 O1- ATOM 0 H ASP A 89 1.581 2.868 -15.796 1.00 0.00 H new ATOM 0 HA ASP A 89 1.561 0.408 -17.437 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.341 2.474 -18.627 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.595 2.665 -17.417 1.00 0.00 H new ATOM 297 N GLU A 90 3.421 -0.667 -16.097 1.00 0.00 N ATOM 298 CA GLU A 90 4.257 -1.389 -15.156 1.00 0.00 C ATOM 299 C GLU A 90 5.425 -0.531 -14.677 1.00 0.00 C ATOM 300 O GLU A 90 5.958 -0.745 -13.589 1.00 0.00 O ATOM 301 CB GLU A 90 4.783 -2.666 -15.799 1.00 0.00 C ATOM 302 CG GLU A 90 5.187 -2.503 -17.256 1.00 0.00 C ATOM 303 CD GLU A 90 6.066 -3.636 -17.748 1.00 0.00 C ATOM 304 OE1 GLU A 90 5.516 -4.644 -18.240 1.00 0.00 O ATOM 305 OE2 GLU A 90 7.305 -3.516 -17.641 1.00 0.00 O1- ATOM 0 H GLU A 90 3.213 -1.180 -16.954 1.00 0.00 H new ATOM 0 HA GLU A 90 3.645 -1.642 -14.290 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.644 -3.019 -15.231 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.017 -3.438 -15.729 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.291 -2.449 -17.874 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.716 -1.558 -17.379 1.00 0.00 H new ATOM 312 N GLU A 91 5.812 0.447 -15.492 1.00 0.00 N ATOM 313 CA GLU A 91 6.911 1.341 -15.145 1.00 0.00 C ATOM 314 C GLU A 91 6.707 1.920 -13.751 1.00 0.00 C ATOM 315 O GLU A 91 7.599 1.870 -12.904 1.00 0.00 O ATOM 316 CB GLU A 91 7.007 2.477 -16.162 1.00 0.00 C ATOM 317 CG GLU A 91 7.164 2.000 -17.597 1.00 0.00 C ATOM 318 CD GLU A 91 8.529 2.322 -18.173 1.00 0.00 C ATOM 319 OE1 GLU A 91 9.530 2.189 -17.438 1.00 0.00 O ATOM 320 OE2 GLU A 91 8.597 2.707 -19.359 1.00 0.00 O1- ATOM 0 H GLU A 91 5.381 0.640 -16.396 1.00 0.00 H new ATOM 0 HA GLU A 91 7.838 0.767 -15.158 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.112 3.095 -16.089 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.854 3.113 -15.905 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.002 0.923 -17.638 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.395 2.462 -18.216 1.00 0.00 H new ATOM 327 N LEU A 92 5.521 2.469 -13.531 1.00 0.00 N ATOM 328 CA LEU A 92 5.180 3.064 -12.248 1.00 0.00 C ATOM 329 C LEU A 92 4.738 1.999 -11.247 1.00 0.00 C ATOM 330 O LEU A 92 4.842 2.196 -10.037 1.00 0.00 O ATOM 331 CB LEU A 92 4.078 4.106 -12.434 1.00 0.00 C ATOM 332 CG LEU A 92 3.912 5.097 -11.279 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.289 4.414 -10.070 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.252 5.718 -10.911 1.00 0.00 C ATOM 0 H LEU A 92 4.777 2.514 -14.227 1.00 0.00 H new ATOM 0 HA LEU A 92 6.070 3.551 -11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.282 4.667 -13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.131 3.587 -12.584 1.00 0.00 H new ATOM 0 HG LEU A 92 3.242 5.893 -11.605 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.180 5.136 -9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.309 4.020 -10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.931 3.596 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.114 6.420 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.945 4.934 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.658 6.246 -11.774 1.00 0.00 H new ATOM 346 N ILE A 93 4.249 0.867 -11.751 1.00 0.00 N ATOM 347 CA ILE A 93 3.802 -0.213 -10.884 1.00 0.00 C ATOM 348 C ILE A 93 4.988 -0.906 -10.225 1.00 0.00 C ATOM 349 O ILE A 93 4.928 -1.280 -9.054 1.00 0.00 O ATOM 350 CB ILE A 93 2.973 -1.248 -11.664 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.841 -0.549 -12.416 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.421 -2.307 -10.721 1.00 0.00 C ATOM 353 CD1 ILE A 93 1.024 -1.480 -13.281 1.00 0.00 C ATOM 0 H ILE A 93 4.154 0.678 -12.749 1.00 0.00 H new ATOM 0 HA ILE A 93 3.173 0.231 -10.113 1.00 0.00 H new ATOM 0 HB ILE A 93 3.618 -1.744 -12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.182 -0.064 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.263 0.238 -13.041 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.837 -3.031 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.246 -2.816 -10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.784 -1.833 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.239 -0.915 -13.784 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.670 -1.946 -14.025 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.572 -2.252 -12.659 1.00 0.00 H new ATOM 365 N LYS A 94 6.067 -1.066 -10.981 1.00 0.00 N ATOM 366 CA LYS A 94 7.268 -1.705 -10.461 1.00 0.00 C ATOM 367 C LYS A 94 7.957 -0.795 -9.451 1.00 0.00 C ATOM 368 O LYS A 94 8.507 -1.261 -8.455 1.00 0.00 O ATOM 369 CB LYS A 94 8.226 -2.050 -11.603 1.00 0.00 C ATOM 370 CG LYS A 94 8.183 -3.513 -12.013 1.00 0.00 C ATOM 371 CD LYS A 94 9.437 -3.918 -12.769 1.00 0.00 C ATOM 372 CE LYS A 94 9.903 -5.310 -12.371 1.00 0.00 C ATOM 373 NZ LYS A 94 11.117 -5.726 -13.125 1.00 0.00 N1+ ATOM 0 H LYS A 94 6.135 -0.763 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 94 6.979 -2.628 -9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.985 -1.432 -12.468 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.242 -1.795 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.074 -4.137 -11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.307 -3.691 -12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.241 -3.891 -13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.231 -3.197 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.115 -5.330 -11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.101 -6.026 -12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.402 -6.680 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.908 -5.732 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.890 -5.057 -12.934 1.00 0.00 H new ATOM 387 N LYS A 95 7.914 0.510 -9.708 1.00 0.00 N ATOM 388 CA LYS A 95 8.523 1.482 -8.809 1.00 0.00 C ATOM 389 C LYS A 95 7.839 1.430 -7.448 1.00 0.00 C ATOM 390 O LYS A 95 8.488 1.253 -6.418 1.00 0.00 O ATOM 391 CB LYS A 95 8.424 2.891 -9.395 1.00 0.00 C ATOM 392 CG LYS A 95 9.588 3.256 -10.302 1.00 0.00 C ATOM 393 CD LYS A 95 10.043 4.689 -10.078 1.00 0.00 C ATOM 394 CE LYS A 95 11.556 4.810 -10.144 1.00 0.00 C ATOM 395 NZ LYS A 95 12.083 5.764 -9.129 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.465 0.916 -10.529 1.00 0.00 H new ATOM 0 HA LYS A 95 9.577 1.233 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.495 2.977 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.370 3.612 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.420 2.576 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.294 3.126 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.592 5.337 -10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.691 5.036 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.005 3.829 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.850 5.141 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.119 5.817 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.674 6.706 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.825 5.435 -8.177 1.00 0.00 H new ATOM 409 N LEU A 96 6.517 1.576 -7.458 1.00 0.00 N ATOM 410 CA LEU A 96 5.727 1.534 -6.237 1.00 0.00 C ATOM 411 C LEU A 96 5.987 0.244 -5.468 1.00 0.00 C ATOM 412 O LEU A 96 6.460 0.264 -4.331 1.00 0.00 O ATOM 413 CB LEU A 96 4.240 1.629 -6.579 1.00 0.00 C ATOM 414 CG LEU A 96 3.548 2.882 -6.078 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.400 3.264 -6.999 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.058 2.678 -4.653 1.00 0.00 C ATOM 0 H LEU A 96 5.970 1.725 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 96 6.017 2.379 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.127 1.578 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.730 0.759 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 96 4.266 3.702 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.916 4.165 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.785 3.450 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.675 2.451 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.563 3.585 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.353 1.847 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.906 2.456 -4.005 1.00 0.00 H new ATOM 428 N VAL A 97 5.665 -0.875 -6.105 1.00 0.00 N ATOM 429 CA VAL A 97 5.847 -2.186 -5.501 1.00 0.00 C ATOM 430 C VAL A 97 7.271 -2.370 -4.979 1.00 0.00 C ATOM 431 O VAL A 97 7.493 -3.074 -3.994 1.00 0.00 O ATOM 432 CB VAL A 97 5.512 -3.304 -6.508 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.584 -3.413 -7.580 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.329 -4.626 -5.785 1.00 0.00 C ATOM 0 H VAL A 97 5.274 -0.899 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 97 5.161 -2.250 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 97 4.575 -3.050 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.322 -4.209 -8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.657 -2.468 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.543 -3.640 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.093 -5.407 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.249 -4.884 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.514 -4.538 -5.067 1.00 0.00 H new ATOM 444 N ASP A 98 8.229 -1.730 -5.641 1.00 0.00 N ATOM 445 CA ASP A 98 9.626 -1.824 -5.236 1.00 0.00 C ATOM 446 C ASP A 98 9.822 -1.243 -3.841 1.00 0.00 C ATOM 447 O ASP A 98 10.646 -1.728 -3.065 1.00 0.00 O ATOM 448 CB ASP A 98 10.523 -1.090 -6.236 1.00 0.00 C ATOM 449 CG ASP A 98 11.997 -1.278 -5.936 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.428 -2.442 -5.782 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 12.721 -0.264 -5.854 1.00 0.00 O ATOM 0 H ASP A 98 8.064 -1.142 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 98 9.904 -2.878 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.311 -1.450 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.285 -0.026 -6.221 1.00 0.00 H new ATOM 456 N GLN A 99 9.055 -0.204 -3.529 1.00 0.00 N ATOM 457 CA GLN A 99 9.140 0.441 -2.225 1.00 0.00 C ATOM 458 C GLN A 99 8.651 -0.497 -1.128 1.00 0.00 C ATOM 459 O GLN A 99 9.192 -0.511 -0.022 1.00 0.00 O ATOM 460 CB GLN A 99 8.317 1.732 -2.216 1.00 0.00 C ATOM 461 CG GLN A 99 9.149 2.984 -2.442 1.00 0.00 C ATOM 462 CD GLN A 99 9.941 3.388 -1.213 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.371 3.704 -0.170 1.00 0.00 O ATOM 464 NE2 GLN A 99 11.263 3.378 -1.333 1.00 0.00 N ATOM 0 H GLN A 99 8.369 0.209 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 99 10.185 0.686 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.551 1.670 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.800 1.817 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.835 2.815 -3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.493 3.804 -2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.693 3.109 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.849 3.640 -0.540 1.00 0.00 H new ATOM 473 N ILE A 100 7.628 -1.284 -1.443 1.00 0.00 N ATOM 474 CA ILE A 100 7.068 -2.228 -0.489 1.00 0.00 C ATOM 475 C ILE A 100 8.064 -3.322 -0.169 1.00 0.00 C ATOM 476 O ILE A 100 8.515 -3.458 0.968 1.00 0.00 O ATOM 477 CB ILE A 100 5.780 -2.882 -1.018 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.951 -1.892 -1.841 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.963 -3.417 0.140 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.762 -0.554 -1.164 1.00 0.00 C ATOM 0 H ILE A 100 7.170 -1.285 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 100 6.833 -1.659 0.411 1.00 0.00 H new ATOM 0 HB ILE A 100 6.060 -3.707 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.436 -1.737 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.973 -2.329 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.052 -3.879 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.546 -4.159 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.702 -2.598 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.166 0.097 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.249 -0.697 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.735 -0.095 -0.986 1.00 0.00 H new ATOM 492 N GLU A 101 8.419 -4.091 -1.189 1.00 0.00 N ATOM 493 CA GLU A 101 9.388 -5.172 -1.026 1.00 0.00 C ATOM 494 C GLU A 101 10.620 -4.664 -0.284 1.00 0.00 C ATOM 495 O GLU A 101 11.336 -5.428 0.362 1.00 0.00 O ATOM 496 CB GLU A 101 9.798 -5.738 -2.389 1.00 0.00 C ATOM 497 CG GLU A 101 8.632 -6.253 -3.216 1.00 0.00 C ATOM 498 CD GLU A 101 8.988 -6.434 -4.677 1.00 0.00 C ATOM 499 OE1 GLU A 101 9.814 -7.320 -4.982 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 8.443 -5.688 -5.519 1.00 0.00 O ATOM 0 H GLU A 101 8.054 -3.989 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 101 8.922 -5.967 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.316 -4.962 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.509 -6.550 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.295 -7.206 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.797 -5.557 -3.133 1.00 0.00 H new ATOM 507 N PHE A 102 10.839 -3.355 -0.373 1.00 0.00 N ATOM 508 CA PHE A 102 11.959 -2.710 0.296 1.00 0.00 C ATOM 509 C PHE A 102 11.572 -2.379 1.731 1.00 0.00 C ATOM 510 O PHE A 102 12.329 -2.613 2.671 1.00 0.00 O ATOM 511 CB PHE A 102 12.340 -1.434 -0.464 1.00 0.00 C ATOM 512 CG PHE A 102 13.158 -0.455 0.332 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.550 0.383 1.253 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.529 -0.368 0.154 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.296 1.290 1.982 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.279 0.537 0.879 1.00 0.00 C ATOM 517 CZ PHE A 102 14.663 1.366 1.794 1.00 0.00 C ATOM 0 H PHE A 102 10.249 -2.718 -0.907 1.00 0.00 H new ATOM 0 HA PHE A 102 12.817 -3.381 0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.898 -1.712 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.428 -0.939 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.482 0.327 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.017 -1.015 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.811 1.938 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.347 0.596 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.248 2.073 2.363 1.00 0.00 H new ATOM 527 N TYR A 103 10.375 -1.833 1.870 1.00 0.00 N ATOM 528 CA TYR A 103 9.832 -1.451 3.166 1.00 0.00 C ATOM 529 C TYR A 103 9.815 -2.636 4.127 1.00 0.00 C ATOM 530 O TYR A 103 10.350 -2.565 5.233 1.00 0.00 O ATOM 531 CB TYR A 103 8.412 -0.905 2.983 1.00 0.00 C ATOM 532 CG TYR A 103 7.354 -1.696 3.724 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.168 -1.509 5.083 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.552 -2.630 3.072 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.217 -2.220 5.779 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.595 -3.347 3.763 1.00 0.00 C ATOM 537 CZ TYR A 103 5.430 -3.138 5.118 1.00 0.00 C ATOM 538 OH TYR A 103 4.478 -3.849 5.811 1.00 0.00 O ATOM 0 H TYR A 103 9.750 -1.641 1.087 1.00 0.00 H new ATOM 0 HA TYR A 103 10.471 -0.679 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.384 0.130 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.169 -0.898 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.781 -0.791 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.680 -2.796 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.088 -2.059 6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.979 -4.068 3.246 1.00 0.00 H new ATOM 0 HH TYR A 103 4.736 -4.794 5.846 1.00 0.00 H new ATOM 548 N PHE A 104 9.167 -3.713 3.700 1.00 0.00 N ATOM 549 CA PHE A 104 9.040 -4.910 4.527 1.00 0.00 C ATOM 550 C PHE A 104 10.368 -5.653 4.684 1.00 0.00 C ATOM 551 O PHE A 104 10.417 -6.703 5.324 1.00 0.00 O ATOM 552 CB PHE A 104 7.985 -5.853 3.934 1.00 0.00 C ATOM 553 CG PHE A 104 6.805 -6.102 4.834 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.962 -6.189 6.208 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.534 -6.250 4.300 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.876 -6.420 7.032 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.445 -6.480 5.118 1.00 0.00 C ATOM 558 CZ PHE A 104 4.616 -6.564 6.486 1.00 0.00 C ATOM 0 H PHE A 104 8.721 -3.784 2.786 1.00 0.00 H new ATOM 0 HA PHE A 104 8.728 -4.583 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.628 -5.435 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.457 -6.807 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.945 -6.075 6.641 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.394 -6.185 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.013 -6.488 8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.461 -6.594 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.766 -6.742 7.128 1.00 0.00 H new ATOM 568 N SER A 105 11.446 -5.104 4.135 1.00 0.00 N ATOM 569 CA SER A 105 12.753 -5.733 4.274 1.00 0.00 C ATOM 570 C SER A 105 13.164 -5.732 5.744 1.00 0.00 C ATOM 571 O SER A 105 12.993 -4.729 6.435 1.00 0.00 O ATOM 572 CB SER A 105 13.796 -4.996 3.432 1.00 0.00 C ATOM 573 OG SER A 105 14.858 -5.860 3.065 1.00 0.00 O ATOM 0 H SER A 105 11.442 -4.237 3.597 1.00 0.00 H new ATOM 0 HA SER A 105 12.692 -6.761 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.325 -4.592 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.190 -4.149 3.994 1.00 0.00 H new ATOM 0 HG SER A 105 15.510 -5.366 2.526 1.00 0.00 H new ATOM 579 N ASP A 106 13.689 -6.860 6.225 1.00 0.00 N ATOM 580 CA ASP A 106 14.107 -6.987 7.629 1.00 0.00 C ATOM 581 C ASP A 106 14.731 -5.693 8.157 1.00 0.00 C ATOM 582 O ASP A 106 14.230 -5.081 9.100 1.00 0.00 O ATOM 583 CB ASP A 106 15.127 -8.120 7.790 1.00 0.00 C ATOM 584 CG ASP A 106 15.989 -8.323 6.557 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.429 -8.614 5.480 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 17.225 -8.187 6.670 1.00 0.00 O ATOM 0 H ASP A 106 13.836 -7.700 5.666 1.00 0.00 H new ATOM 0 HA ASP A 106 13.208 -7.207 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.769 -7.904 8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.599 -9.047 8.014 1.00 0.00 H new ATOM 591 N GLU A 107 15.837 -5.301 7.540 1.00 0.00 N ATOM 592 CA GLU A 107 16.568 -4.109 7.915 1.00 0.00 C ATOM 593 C GLU A 107 15.728 -2.844 7.795 1.00 0.00 C ATOM 594 O GLU A 107 16.054 -1.810 8.378 1.00 0.00 O ATOM 595 CB GLU A 107 17.781 -4.001 7.010 1.00 0.00 C ATOM 596 CG GLU A 107 17.473 -3.477 5.614 1.00 0.00 C ATOM 597 CD GLU A 107 17.941 -2.049 5.411 1.00 0.00 C ATOM 598 OE1 GLU A 107 17.590 -1.185 6.242 1.00 0.00 O ATOM 599 OE2 GLU A 107 18.659 -1.795 4.421 1.00 0.00 O1- ATOM 0 H GLU A 107 16.252 -5.809 6.759 1.00 0.00 H new ATOM 0 HA GLU A 107 16.856 -4.197 8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.513 -3.344 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.244 -4.984 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.950 -4.120 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.399 -3.532 5.438 1.00 0.00 H new ATOM 606 N ASN A 108 14.659 -2.931 7.028 1.00 0.00 N ATOM 607 CA ASN A 108 13.778 -1.790 6.814 1.00 0.00 C ATOM 608 C ASN A 108 12.661 -1.766 7.844 1.00 0.00 C ATOM 609 O ASN A 108 12.066 -0.722 8.104 1.00 0.00 O ATOM 610 CB ASN A 108 13.199 -1.817 5.401 1.00 0.00 C ATOM 611 CG ASN A 108 14.044 -1.026 4.423 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.434 -1.529 3.369 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.337 0.222 4.773 1.00 0.00 N ATOM 0 H ASN A 108 14.375 -3.780 6.540 1.00 0.00 H new ATOM 0 HA ASN A 108 14.368 -0.881 6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.123 -2.850 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.188 -1.411 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 108 14.906 0.804 4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.992 0.598 5.656 1.00 0.00 H new ATOM 620 N LEU A 109 12.398 -2.917 8.442 1.00 0.00 N ATOM 621 CA LEU A 109 11.378 -3.031 9.455 1.00 0.00 C ATOM 622 C LEU A 109 11.785 -2.222 10.654 1.00 0.00 C ATOM 623 O LEU A 109 11.070 -1.321 11.092 1.00 0.00 O ATOM 624 CB LEU A 109 11.209 -4.485 9.827 1.00 0.00 C ATOM 625 CG LEU A 109 10.194 -5.229 8.983 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.850 -5.207 9.677 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.076 -4.627 7.592 1.00 0.00 C ATOM 0 H LEU A 109 12.885 -3.789 8.236 1.00 0.00 H new ATOM 0 HA LEU A 109 10.427 -2.652 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.174 -4.985 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.911 -4.548 10.873 1.00 0.00 H new ATOM 0 HG LEU A 109 10.532 -6.259 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.119 -5.742 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.936 -5.688 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.526 -4.175 9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.339 -5.186 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.761 -3.586 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.043 -4.676 7.091 1.00 0.00 H new ATOM 639 N GLU A 110 12.973 -2.524 11.152 1.00 0.00 N ATOM 640 CA GLU A 110 13.530 -1.816 12.259 1.00 0.00 C ATOM 641 C GLU A 110 13.443 -0.307 12.027 1.00 0.00 C ATOM 642 O GLU A 110 13.485 0.485 12.968 1.00 0.00 O ATOM 643 CB GLU A 110 14.988 -2.236 12.401 1.00 0.00 C ATOM 644 CG GLU A 110 15.225 -3.286 13.461 1.00 0.00 C ATOM 645 CD GLU A 110 16.681 -3.365 13.881 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.542 -3.577 13.002 1.00 0.00 O ATOM 647 OE2 GLU A 110 16.959 -3.218 15.090 1.00 0.00 O1- ATOM 0 H GLU A 110 13.567 -3.270 10.790 1.00 0.00 H new ATOM 0 HA GLU A 110 12.975 -2.050 13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.341 -2.616 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.588 -1.356 12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.610 -3.064 14.333 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.905 -4.257 13.084 1.00 0.00 H new ATOM 654 N LYS A 111 13.346 0.075 10.752 1.00 0.00 N ATOM 655 CA LYS A 111 13.280 1.473 10.366 1.00 0.00 C ATOM 656 C LYS A 111 11.968 1.822 9.663 1.00 0.00 C ATOM 657 O LYS A 111 11.862 2.876 9.036 1.00 0.00 O ATOM 658 CB LYS A 111 14.452 1.782 9.440 1.00 0.00 C ATOM 659 CG LYS A 111 15.702 2.233 10.174 1.00 0.00 C ATOM 660 CD LYS A 111 15.502 3.585 10.841 1.00 0.00 C ATOM 661 CE LYS A 111 15.214 3.437 12.326 1.00 0.00 C ATOM 662 NZ LYS A 111 14.164 4.388 12.786 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.312 -0.576 9.968 1.00 0.00 H new ATOM 0 HA LYS A 111 13.330 2.075 11.273 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.685 0.893 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.153 2.559 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.970 1.491 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.535 2.292 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.394 4.196 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.677 4.111 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.895 2.416 12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.130 3.606 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.997 4.255 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.479 5.364 12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.282 4.210 12.264 1.00 0.00 H new ATOM 676 N ASP A 112 10.976 0.940 9.744 1.00 0.00 N ATOM 677 CA ASP A 112 9.699 1.191 9.082 1.00 0.00 C ATOM 678 C ASP A 112 8.517 0.781 9.946 1.00 0.00 C ATOM 679 O ASP A 112 7.682 -0.037 9.552 1.00 0.00 O ATOM 680 CB ASP A 112 9.653 0.460 7.752 1.00 0.00 C ATOM 681 CG ASP A 112 8.528 0.948 6.868 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.376 0.992 7.346 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 8.797 1.283 5.695 1.00 0.00 O ATOM 0 H ASP A 112 11.029 0.058 10.253 1.00 0.00 H new ATOM 0 HA ASP A 112 9.621 2.265 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.603 0.593 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.534 -0.609 7.931 1.00 0.00 H new ATOM 688 N ALA A 113 8.451 1.377 11.117 1.00 0.00 N ATOM 689 CA ALA A 113 7.370 1.108 12.053 1.00 0.00 C ATOM 690 C ALA A 113 6.103 1.873 11.665 1.00 0.00 C ATOM 691 O ALA A 113 5.019 1.603 12.180 1.00 0.00 O ATOM 692 CB ALA A 113 7.799 1.467 13.466 1.00 0.00 C ATOM 0 H ALA A 113 9.136 2.056 11.449 1.00 0.00 H new ATOM 0 HA ALA A 113 7.142 0.043 12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.982 1.261 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.669 0.872 13.745 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.055 2.526 13.511 1.00 0.00 H new ATOM 698 N PHE A 114 6.246 2.832 10.752 1.00 0.00 N ATOM 699 CA PHE A 114 5.115 3.633 10.298 1.00 0.00 C ATOM 700 C PHE A 114 4.179 2.813 9.415 1.00 0.00 C ATOM 701 O PHE A 114 2.966 3.009 9.428 1.00 0.00 O ATOM 702 CB PHE A 114 5.612 4.859 9.524 1.00 0.00 C ATOM 703 CG PHE A 114 6.619 4.525 8.459 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.240 3.831 7.321 1.00 0.00 C ATOM 705 CD2 PHE A 114 7.946 4.896 8.600 1.00 0.00 C ATOM 706 CE1 PHE A 114 7.163 3.510 6.346 1.00 0.00 C ATOM 707 CE2 PHE A 114 8.876 4.580 7.628 1.00 0.00 C ATOM 708 CZ PHE A 114 8.485 3.884 6.500 1.00 0.00 C ATOM 0 H PHE A 114 7.135 3.072 10.313 1.00 0.00 H new ATOM 0 HA PHE A 114 4.561 3.960 11.178 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.760 5.359 9.064 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.056 5.566 10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.208 3.537 7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.258 5.439 9.480 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.853 2.968 5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.907 4.877 7.750 1.00 0.00 H new ATOM 0 HZ PHE A 114 9.211 3.633 5.740 1.00 0.00 H new ATOM 718 N LEU A 115 4.753 1.907 8.631 1.00 0.00 N ATOM 719 CA LEU A 115 3.968 1.072 7.731 1.00 0.00 C ATOM 720 C LEU A 115 3.415 -0.162 8.441 1.00 0.00 C ATOM 721 O LEU A 115 2.205 -0.390 8.450 1.00 0.00 O ATOM 722 CB LEU A 115 4.811 0.659 6.518 1.00 0.00 C ATOM 723 CG LEU A 115 4.015 0.322 5.249 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.060 1.453 4.900 1.00 0.00 C ATOM 725 CD2 LEU A 115 4.954 0.042 4.079 1.00 0.00 C ATOM 0 H LEU A 115 5.758 1.733 8.601 1.00 0.00 H new ATOM 0 HA LEU A 115 3.118 1.662 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.506 1.467 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.411 -0.209 6.792 1.00 0.00 H new ATOM 0 HG LEU A 115 3.431 -0.578 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.505 1.195 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.363 1.607 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.627 2.368 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.368 -0.194 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.567 0.922 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.599 -0.802 4.324 1.00 0.00 H new ATOM 737 N LEU A 116 4.305 -0.974 9.012 1.00 0.00 N ATOM 738 CA LEU A 116 3.886 -2.201 9.692 1.00 0.00 C ATOM 739 C LEU A 116 3.462 -1.965 11.143 1.00 0.00 C ATOM 740 O LEU A 116 2.307 -2.189 11.503 1.00 0.00 O ATOM 741 CB LEU A 116 5.012 -3.235 9.655 1.00 0.00 C ATOM 742 CG LEU A 116 4.667 -4.583 10.293 1.00 0.00 C ATOM 743 CD1 LEU A 116 3.925 -5.470 9.303 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.927 -5.272 10.794 1.00 0.00 C ATOM 0 H LEU A 116 5.311 -0.807 9.018 1.00 0.00 H new ATOM 0 HA LEU A 116 3.013 -2.571 9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.298 -3.403 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.883 -2.821 10.163 1.00 0.00 H new ATOM 0 HG LEU A 116 4.012 -4.404 11.146 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.689 -6.424 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.002 -4.979 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.552 -5.644 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.664 -6.229 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.607 -5.439 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.415 -4.642 11.538 1.00 0.00 H new ATOM 922 N TYR A 126 -1.696 -5.663 9.229 1.00 0.00 N ATOM 923 CA TYR A 126 -1.887 -5.412 7.804 1.00 0.00 C ATOM 924 C TYR A 126 -1.626 -3.946 7.476 1.00 0.00 C ATOM 925 O TYR A 126 -1.911 -3.061 8.281 1.00 0.00 O ATOM 926 CB TYR A 126 -3.308 -5.796 7.377 1.00 0.00 C ATOM 927 CG TYR A 126 -3.868 -6.992 8.115 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.472 -8.283 7.790 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.794 -6.829 9.139 1.00 0.00 C ATOM 930 CE1 TYR A 126 -3.982 -9.377 8.462 1.00 0.00 C ATOM 931 CE2 TYR A 126 -5.308 -7.918 9.816 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.899 -9.189 9.474 1.00 0.00 C ATOM 933 OH TYR A 126 -5.409 -10.276 10.145 1.00 0.00 O ATOM 0 HA TYR A 126 -1.174 -6.026 7.254 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -3.967 -4.943 7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.311 -6.007 6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -2.753 -8.434 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -5.117 -5.835 9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -3.664 -10.374 8.196 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -6.027 -7.774 10.609 1.00 0.00 H new ATOM 0 HH TYR A 126 -6.041 -9.971 10.829 1.00 0.00 H new ATOM 943 N VAL A 127 -1.080 -3.693 6.290 1.00 0.00 N ATOM 944 CA VAL A 127 -0.783 -2.334 5.867 1.00 0.00 C ATOM 945 C VAL A 127 -1.864 -1.811 4.927 1.00 0.00 C ATOM 946 O VAL A 127 -2.124 -2.399 3.879 1.00 0.00 O ATOM 947 CB VAL A 127 0.582 -2.275 5.160 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.938 -0.853 4.769 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.663 -2.882 6.042 1.00 0.00 C ATOM 0 H VAL A 127 -0.836 -4.411 5.608 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.754 -1.706 6.758 1.00 0.00 H new ATOM 0 HB VAL A 127 0.514 -2.861 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.908 -0.844 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.179 -0.461 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.983 -0.230 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.623 -2.833 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.724 -2.326 6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.418 -3.923 6.254 1.00 0.00 H new ATOM 959 N SER A 128 -2.494 -0.707 5.310 1.00 0.00 N ATOM 960 CA SER A 128 -3.552 -0.119 4.499 1.00 0.00 C ATOM 961 C SER A 128 -2.980 0.719 3.359 1.00 0.00 C ATOM 962 O SER A 128 -2.215 1.658 3.586 1.00 0.00 O ATOM 963 CB SER A 128 -4.473 0.741 5.367 1.00 0.00 C ATOM 964 OG SER A 128 -5.819 0.639 4.940 1.00 0.00 O ATOM 0 H SER A 128 -2.292 -0.203 6.173 1.00 0.00 H new ATOM 0 HA SER A 128 -4.128 -0.936 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.394 0.427 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.152 1.782 5.322 1.00 0.00 H new ATOM 0 HG SER A 128 -6.387 1.196 5.512 1.00 0.00 H new ATOM 970 N VAL A 129 -3.357 0.373 2.132 1.00 0.00 N ATOM 971 CA VAL A 129 -2.885 1.090 0.953 1.00 0.00 C ATOM 972 C VAL A 129 -3.190 2.584 1.054 1.00 0.00 C ATOM 973 O VAL A 129 -2.478 3.413 0.488 1.00 0.00 O ATOM 974 CB VAL A 129 -3.510 0.527 -0.343 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.952 0.991 -0.505 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.673 0.927 -1.550 1.00 0.00 C ATOM 0 H VAL A 129 -3.989 -0.401 1.928 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.805 0.948 0.911 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.519 -0.561 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.365 0.579 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.543 0.647 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.981 2.080 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.125 0.524 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.630 2.014 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.664 0.530 -1.440 1.00 0.00 H new ATOM 986 N LYS A 130 -4.254 2.919 1.778 1.00 0.00 N ATOM 987 CA LYS A 130 -4.651 4.313 1.952 1.00 0.00 C ATOM 988 C LYS A 130 -3.484 5.148 2.469 1.00 0.00 C ATOM 989 O LYS A 130 -3.343 6.321 2.121 1.00 0.00 O ATOM 990 CB LYS A 130 -5.836 4.410 2.916 1.00 0.00 C ATOM 991 CG LYS A 130 -7.124 4.869 2.252 1.00 0.00 C ATOM 992 CD LYS A 130 -7.672 3.809 1.309 1.00 0.00 C ATOM 993 CE LYS A 130 -8.515 2.785 2.051 1.00 0.00 C ATOM 994 NZ LYS A 130 -7.677 1.858 2.861 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.856 2.246 2.253 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.952 4.706 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.001 3.435 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.584 5.102 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.867 5.098 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.941 5.790 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.274 4.285 0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.846 3.306 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.221 3.300 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.103 2.211 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.123 0.919 2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -6.732 1.781 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.590 2.226 3.830 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.649 4.534 3.302 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.494 5.218 3.865 1.00 0.00 C ATOM 1010 C LEU A 131 -0.307 5.178 2.902 1.00 0.00 C ATOM 1011 O LEU A 131 0.529 6.081 2.897 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.130 4.608 5.222 1.00 0.00 C ATOM 1013 CG LEU A 131 0.038 3.630 5.198 1.00 0.00 C ATOM 1014 CD1 LEU A 131 1.340 4.355 5.495 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.189 2.491 6.183 1.00 0.00 C ATOM 0 H LEU A 131 -2.752 3.564 3.601 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.752 6.266 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.893 5.416 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.006 4.094 5.619 1.00 0.00 H new ATOM 0 HG LEU A 131 0.106 3.198 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.166 3.644 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.507 5.126 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.283 4.816 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.658 1.806 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.287 2.895 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.100 1.956 5.916 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.240 4.127 2.087 1.00 0.00 N ATOM 1028 CA LEU A 132 0.845 3.977 1.121 1.00 0.00 C ATOM 1029 C LEU A 132 0.978 5.221 0.251 1.00 0.00 C ATOM 1030 O LEU A 132 2.083 5.628 -0.104 1.00 0.00 O ATOM 1031 CB LEU A 132 0.603 2.756 0.231 1.00 0.00 C ATOM 1032 CG LEU A 132 1.059 1.419 0.815 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.534 1.250 2.231 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.595 0.270 -0.067 1.00 0.00 C ATOM 0 H LEU A 132 -0.922 3.369 2.077 1.00 0.00 H new ATOM 0 HA LEU A 132 1.771 3.839 1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.463 2.693 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.115 2.912 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 132 2.148 1.410 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.868 0.293 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.912 2.057 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.556 1.278 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.927 -0.675 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.493 0.277 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.018 0.384 -1.065 1.00 0.00 H new ATOM 1046 N THR A 133 -0.157 5.817 -0.090 1.00 0.00 N ATOM 1047 CA THR A 133 -0.181 7.006 -0.917 1.00 0.00 C ATOM 1048 C THR A 133 0.244 8.229 -0.118 1.00 0.00 C ATOM 1049 O THR A 133 0.848 9.159 -0.653 1.00 0.00 O ATOM 1050 CB THR A 133 -1.583 7.202 -1.472 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.562 6.813 -0.521 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.825 6.417 -2.738 1.00 0.00 C ATOM 0 H THR A 133 -1.079 5.489 0.199 1.00 0.00 H new ATOM 0 HA THR A 133 0.523 6.880 -1.739 1.00 0.00 H new ATOM 0 HB THR A 133 -1.666 8.265 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.456 6.949 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.842 6.596 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.117 6.734 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.692 5.354 -2.538 1.00 0.00 H new ATOM 1060 N SER A 134 -0.068 8.210 1.169 1.00 0.00 N ATOM 1061 CA SER A 134 0.283 9.310 2.059 1.00 0.00 C ATOM 1062 C SER A 134 1.674 9.102 2.657 1.00 0.00 C ATOM 1063 O SER A 134 2.090 9.837 3.553 1.00 0.00 O ATOM 1064 CB SER A 134 -0.755 9.442 3.178 1.00 0.00 C ATOM 1065 OG SER A 134 -1.617 8.319 3.213 1.00 0.00 O ATOM 0 H SER A 134 -0.565 7.443 1.623 1.00 0.00 H new ATOM 0 HA SER A 134 0.292 10.230 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.248 9.544 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.341 10.349 3.029 1.00 0.00 H new ATOM 0 HG SER A 134 -2.268 8.429 3.937 1.00 0.00 H new ATOM 1071 N PHE A 135 2.390 8.098 2.155 1.00 0.00 N ATOM 1072 CA PHE A 135 3.732 7.797 2.637 1.00 0.00 C ATOM 1073 C PHE A 135 4.760 8.711 1.973 1.00 0.00 C ATOM 1074 O PHE A 135 4.985 8.637 0.766 1.00 0.00 O ATOM 1075 CB PHE A 135 4.064 6.326 2.374 1.00 0.00 C ATOM 1076 CG PHE A 135 5.414 5.898 2.882 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.985 6.511 3.987 1.00 0.00 C ATOM 1078 CD2 PHE A 135 6.108 4.876 2.255 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.223 6.113 4.454 1.00 0.00 C ATOM 1080 CE2 PHE A 135 7.346 4.473 2.718 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.904 5.092 3.820 1.00 0.00 C ATOM 0 H PHE A 135 2.061 7.480 1.414 1.00 0.00 H new ATOM 0 HA PHE A 135 3.767 7.976 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.299 5.704 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.017 6.141 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.456 7.308 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.676 4.388 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.658 6.600 5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.877 3.675 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.871 4.778 4.185 1.00 0.00 H new ATOM 1091 N LYS A 136 5.359 9.588 2.775 1.00 0.00 N ATOM 1092 CA LYS A 136 6.354 10.553 2.294 1.00 0.00 C ATOM 1093 C LYS A 136 7.303 9.964 1.248 1.00 0.00 C ATOM 1094 O LYS A 136 7.765 10.676 0.356 1.00 0.00 O ATOM 1095 CB LYS A 136 7.165 11.095 3.472 1.00 0.00 C ATOM 1096 CG LYS A 136 7.638 10.015 4.432 1.00 0.00 C ATOM 1097 CD LYS A 136 6.740 9.923 5.655 1.00 0.00 C ATOM 1098 CE LYS A 136 7.356 10.624 6.855 1.00 0.00 C ATOM 1099 NZ LYS A 136 6.500 10.507 8.067 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.171 9.653 3.775 1.00 0.00 H new ATOM 0 HA LYS A 136 5.802 11.358 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.031 11.634 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.558 11.816 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.655 9.053 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.660 10.228 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.771 10.369 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.560 8.876 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.337 10.196 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.511 11.677 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.956 10.998 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 5.572 10.938 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.373 9.503 8.307 1.00 0.00 H new ATOM 1113 N LYS A 137 7.602 8.675 1.360 1.00 0.00 N ATOM 1114 CA LYS A 137 8.508 8.024 0.420 1.00 0.00 C ATOM 1115 C LYS A 137 7.782 7.626 -0.859 1.00 0.00 C ATOM 1116 O LYS A 137 8.369 7.616 -1.941 1.00 0.00 O ATOM 1117 CB LYS A 137 9.147 6.794 1.065 1.00 0.00 C ATOM 1118 CG LYS A 137 10.558 7.039 1.575 1.00 0.00 C ATOM 1119 CD LYS A 137 10.566 7.341 3.066 1.00 0.00 C ATOM 1120 CE LYS A 137 11.983 7.440 3.606 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.424 6.170 4.247 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.233 8.063 2.088 1.00 0.00 H new ATOM 0 HA LYS A 137 9.290 8.737 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.522 6.463 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.168 5.982 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 137 11.175 6.163 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 137 11.003 7.872 1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.038 8.277 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.026 6.559 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.664 7.692 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.039 8.251 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.395 6.279 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 11.789 5.942 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.396 5.400 3.548 1.00 0.00 H new ATOM 1135 N VAL A 138 6.504 7.293 -0.728 1.00 0.00 N ATOM 1136 CA VAL A 138 5.702 6.890 -1.871 1.00 0.00 C ATOM 1137 C VAL A 138 5.116 8.100 -2.590 1.00 0.00 C ATOM 1138 O VAL A 138 5.082 8.146 -3.818 1.00 0.00 O ATOM 1139 CB VAL A 138 4.563 5.935 -1.443 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.487 5.845 -2.514 1.00 0.00 C ATOM 1141 CG2 VAL A 138 5.117 4.554 -1.119 1.00 0.00 C ATOM 0 H VAL A 138 6.002 7.295 0.160 1.00 0.00 H new ATOM 0 HA VAL A 138 6.363 6.363 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 138 4.103 6.343 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.701 5.166 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.063 6.834 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.925 5.470 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.301 3.896 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.610 4.144 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.837 4.633 -0.304 1.00 0.00 H new ATOM 1151 N LYS A 139 4.641 9.073 -1.827 1.00 0.00 N ATOM 1152 CA LYS A 139 4.049 10.264 -2.418 1.00 0.00 C ATOM 1153 C LYS A 139 5.055 11.028 -3.271 1.00 0.00 C ATOM 1154 O LYS A 139 4.672 11.835 -4.117 1.00 0.00 O ATOM 1155 CB LYS A 139 3.481 11.189 -1.348 1.00 0.00 C ATOM 1156 CG LYS A 139 4.495 11.617 -0.301 1.00 0.00 C ATOM 1157 CD LYS A 139 3.838 12.421 0.811 1.00 0.00 C ATOM 1158 CE LYS A 139 4.505 13.777 0.992 1.00 0.00 C ATOM 1159 NZ LYS A 139 5.951 13.647 1.319 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.653 9.063 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 139 3.236 9.925 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 139 3.074 12.078 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.651 10.687 -0.851 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.978 10.736 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.276 12.214 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.781 12.562 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.891 11.862 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.391 14.362 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 139 4.001 14.326 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 6.404 14.582 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 6.057 13.264 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 6.404 13.005 0.638 1.00 0.00 H new ATOM 1173 N HIS A 140 6.339 10.766 -3.057 1.00 0.00 N ATOM 1174 CA HIS A 140 7.383 11.431 -3.825 1.00 0.00 C ATOM 1175 C HIS A 140 7.418 10.906 -5.260 1.00 0.00 C ATOM 1176 O HIS A 140 8.232 11.348 -6.072 1.00 0.00 O ATOM 1177 CB HIS A 140 8.745 11.226 -3.160 1.00 0.00 C ATOM 1178 CG HIS A 140 9.633 12.429 -3.230 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.156 13.045 -2.112 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.091 13.132 -4.293 1.00 0.00 C ATOM 1181 CE1 HIS A 140 10.896 14.074 -2.484 1.00 0.00 C ATOM 1182 NE2 HIS A 140 10.874 14.147 -3.801 1.00 0.00 N ATOM 0 H HIS A 140 6.680 10.102 -2.362 1.00 0.00 H new ATOM 0 HA HIS A 140 7.158 12.497 -3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.593 10.957 -2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.249 10.384 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 140 9.880 12.932 -5.333 1.00 0.00 H new ATOM 0 HE1 HIS A 140 11.428 14.742 -1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.360 14.845 -4.363 1.00 0.00 H new ATOM 1191 N LEU A 141 6.537 9.954 -5.563 1.00 0.00 N ATOM 1192 CA LEU A 141 6.475 9.361 -6.893 1.00 0.00 C ATOM 1193 C LEU A 141 5.712 10.252 -7.874 1.00 0.00 C ATOM 1194 O LEU A 141 6.316 10.948 -8.689 1.00 0.00 O ATOM 1195 CB LEU A 141 5.821 7.983 -6.812 1.00 0.00 C ATOM 1196 CG LEU A 141 6.485 7.020 -5.833 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.501 5.950 -5.393 1.00 0.00 C ATOM 1198 CD2 LEU A 141 7.720 6.395 -6.457 1.00 0.00 C ATOM 0 H LEU A 141 5.856 9.578 -4.903 1.00 0.00 H new ATOM 0 HA LEU A 141 7.494 9.260 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 141 4.777 8.108 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.828 7.533 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 141 6.797 7.580 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.990 5.271 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.647 6.420 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.158 5.391 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.181 5.711 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.436 5.847 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.431 7.178 -6.720 1.00 0.00 H new ATOM 1210 N THR A 142 4.383 10.219 -7.800 1.00 0.00 N ATOM 1211 CA THR A 142 3.549 11.018 -8.691 1.00 0.00 C ATOM 1212 C THR A 142 2.342 11.582 -7.949 1.00 0.00 C ATOM 1213 O THR A 142 2.144 11.306 -6.765 1.00 0.00 O ATOM 1214 CB THR A 142 3.084 10.170 -9.878 1.00 0.00 C ATOM 1215 OG1 THR A 142 4.031 9.159 -10.173 1.00 0.00 O ATOM 1216 CG2 THR A 142 2.867 10.976 -11.142 1.00 0.00 C ATOM 0 H THR A 142 3.863 9.649 -7.133 1.00 0.00 H new ATOM 0 HA THR A 142 4.146 11.853 -9.058 1.00 0.00 H new ATOM 0 HB THR A 142 2.130 9.742 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.715 8.627 -10.933 1.00 0.00 H new ATOM 0 HG21 THR A 142 2.539 10.314 -11.944 1.00 0.00 H new ATOM 0 HG22 THR A 142 2.106 11.735 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 142 3.801 11.459 -11.430 1.00 0.00 H new ATOM 1224 N ARG A 143 1.538 12.374 -8.651 1.00 0.00 N ATOM 1225 CA ARG A 143 0.349 12.977 -8.059 1.00 0.00 C ATOM 1226 C ARG A 143 -0.892 12.128 -8.331 1.00 0.00 C ATOM 1227 O ARG A 143 -2.015 12.630 -8.303 1.00 0.00 O ATOM 1228 CB ARG A 143 0.146 14.392 -8.606 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.186 15.416 -7.534 1.00 0.00 C ATOM 1230 CD ARG A 143 0.126 16.831 -7.995 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.364 17.089 -9.348 1.00 0.00 N ATOM 1232 CZ ARG A 143 0.377 16.961 -10.449 1.00 0.00 C ATOM 1233 NH1 ARG A 143 1.643 16.572 -10.370 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -0.154 17.222 -11.635 1.00 0.00 N ATOM 0 H ARG A 143 1.688 12.613 -9.631 1.00 0.00 H new ATOM 0 HA ARG A 143 0.498 13.028 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.051 14.704 -9.127 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.657 14.376 -9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -1.242 15.342 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.381 15.194 -6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -0.324 17.544 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 143 1.203 16.993 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 143 -1.334 17.386 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 143 2.058 16.368 -9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 143 2.201 16.477 -11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.127 17.520 -11.704 1.00 0.00 H new ATOM 0 HH22 ARG A 143 0.410 17.125 -12.479 1.00 0.00 H new ATOM 1248 N ASP A 144 -0.682 10.841 -8.592 1.00 0.00 N ATOM 1249 CA ASP A 144 -1.784 9.926 -8.865 1.00 0.00 C ATOM 1250 C ASP A 144 -1.875 8.856 -7.783 1.00 0.00 C ATOM 1251 O ASP A 144 -1.770 7.662 -8.062 1.00 0.00 O ATOM 1252 CB ASP A 144 -1.606 9.272 -10.238 1.00 0.00 C ATOM 1253 CG ASP A 144 -1.215 10.270 -11.310 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -2.085 11.065 -11.726 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 -0.041 10.258 -11.733 1.00 0.00 O ATOM 0 H ASP A 144 0.241 10.409 -8.620 1.00 0.00 H new ATOM 0 HA ASP A 144 -2.711 10.499 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -0.842 8.497 -10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -2.535 8.780 -10.526 1.00 0.00 H new ATOM 1260 N TRP A 145 -2.067 9.296 -6.542 1.00 0.00 N ATOM 1261 CA TRP A 145 -2.170 8.385 -5.412 1.00 0.00 C ATOM 1262 C TRP A 145 -3.186 7.283 -5.684 1.00 0.00 C ATOM 1263 O TRP A 145 -3.075 6.178 -5.153 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.535 9.163 -4.147 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.362 9.883 -3.555 1.00 0.00 C ATOM 1266 CD1 TRP A 145 -0.068 9.832 -3.992 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.369 10.762 -2.424 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.728 10.623 -3.205 1.00 0.00 N ATOM 1269 CE2 TRP A 145 -0.045 11.206 -2.234 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.364 11.218 -1.555 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.305 12.082 -1.210 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -2.014 12.088 -0.539 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.690 12.512 -0.375 1.00 0.00 C ATOM 0 H TRP A 145 -2.154 10.282 -6.296 1.00 0.00 H new ATOM 0 HA TRP A 145 -1.201 7.908 -5.264 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -3.318 9.884 -4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.945 8.475 -3.408 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.277 9.252 -4.835 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.732 10.756 -3.323 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.388 10.897 -1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.326 12.410 -1.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.774 12.446 0.139 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.449 13.193 0.428 1.00 0.00 H new ATOM 1284 N ARG A 146 -4.163 7.580 -6.530 1.00 0.00 N ATOM 1285 CA ARG A 146 -5.173 6.595 -6.886 1.00 0.00 C ATOM 1286 C ARG A 146 -4.564 5.550 -7.811 1.00 0.00 C ATOM 1287 O ARG A 146 -4.711 4.344 -7.589 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.376 7.264 -7.559 1.00 0.00 C ATOM 1289 CG ARG A 146 -6.005 8.239 -8.668 1.00 0.00 C ATOM 1290 CD ARG A 146 -6.735 9.565 -8.515 1.00 0.00 C ATOM 1291 NE ARG A 146 -6.200 10.359 -7.413 1.00 0.00 N ATOM 1292 CZ ARG A 146 -6.399 11.668 -7.277 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -7.118 12.334 -8.172 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -5.877 12.314 -6.243 1.00 0.00 N ATOM 0 H ARG A 146 -4.277 8.489 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.524 6.110 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -7.024 6.491 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.954 7.794 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -4.929 8.412 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -6.247 7.799 -9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -6.655 10.132 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -7.795 9.378 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 146 -5.641 9.883 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -7.522 11.843 -8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -7.267 13.337 -8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.323 11.808 -5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -6.029 13.317 -6.139 1.00 0.00 H new ATOM 1308 N THR A 147 -3.855 6.026 -8.834 1.00 0.00 N ATOM 1309 CA THR A 147 -3.195 5.150 -9.788 1.00 0.00 C ATOM 1310 C THR A 147 -2.113 4.348 -9.090 1.00 0.00 C ATOM 1311 O THR A 147 -1.710 3.284 -9.560 1.00 0.00 O ATOM 1312 CB THR A 147 -2.646 5.962 -10.961 1.00 0.00 C ATOM 1313 OG1 THR A 147 -3.697 6.341 -11.833 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.626 5.212 -11.783 1.00 0.00 C ATOM 0 H THR A 147 -3.725 7.021 -9.020 1.00 0.00 H new ATOM 0 HA THR A 147 -3.917 4.443 -10.196 1.00 0.00 H new ATOM 0 HB THR A 147 -2.161 6.830 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 147 -3.332 6.862 -12.579 1.00 0.00 H new ATOM 0 HG21 THR A 147 -1.278 5.846 -12.598 1.00 0.00 H new ATOM 0 HG22 THR A 147 -0.781 4.937 -11.152 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.081 4.311 -12.193 1.00 0.00 H new ATOM 1322 N THR A 148 -1.675 4.846 -7.942 1.00 0.00 N ATOM 1323 CA THR A 148 -0.677 4.153 -7.158 1.00 0.00 C ATOM 1324 C THR A 148 -1.278 2.857 -6.607 1.00 0.00 C ATOM 1325 O THR A 148 -0.566 1.884 -6.343 1.00 0.00 O ATOM 1326 CB THR A 148 -0.184 5.058 -6.021 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.735 6.018 -6.510 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.495 4.316 -4.888 1.00 0.00 C ATOM 0 H THR A 148 -1.998 5.725 -7.538 1.00 0.00 H new ATOM 0 HA THR A 148 0.178 3.903 -7.786 1.00 0.00 H new ATOM 0 HB THR A 148 -1.087 5.525 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 148 1.037 6.587 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.813 5.028 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.204 3.603 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.364 3.782 -5.272 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.604 2.856 -6.448 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.320 1.695 -5.940 1.00 0.00 C ATOM 1338 C ALA A 149 -3.411 0.600 -6.998 1.00 0.00 C ATOM 1339 O ALA A 149 -3.028 -0.543 -6.747 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.704 2.103 -5.461 1.00 0.00 C ATOM 0 H ALA A 149 -3.201 3.653 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.764 1.290 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.231 1.227 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.610 2.842 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.264 2.533 -6.291 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.905 0.951 -8.189 1.00 0.00 N ATOM 1347 CA HIS A 150 -4.019 -0.024 -9.280 1.00 0.00 C ATOM 1348 C HIS A 150 -2.711 -0.779 -9.435 1.00 0.00 C ATOM 1349 O HIS A 150 -2.687 -1.997 -9.612 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.344 0.671 -10.603 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.513 0.072 -11.324 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.099 0.658 -12.427 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.205 -1.070 -11.095 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.101 -0.096 -12.842 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.186 -1.150 -12.053 1.00 0.00 N ATOM 0 H HIS A 150 -4.229 1.890 -8.422 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.826 -0.714 -9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.548 1.724 -10.410 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.468 0.629 -11.251 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.020 -1.784 -10.306 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -7.742 0.115 -13.685 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.869 -1.902 -12.140 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.628 -0.024 -9.363 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.286 -0.579 -9.491 1.00 0.00 C ATOM 1366 C ALA A 151 -0.095 -1.764 -8.553 1.00 0.00 C ATOM 1367 O ALA A 151 0.251 -2.863 -8.985 1.00 0.00 O ATOM 1368 CB ALA A 151 0.755 0.493 -9.208 1.00 0.00 C ATOM 0 H ALA A 151 -1.650 0.985 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.159 -0.933 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.753 0.066 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.638 1.311 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.621 0.872 -8.195 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.331 -1.535 -7.266 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.193 -2.583 -6.267 1.00 0.00 C ATOM 1376 C LEU A 152 -1.124 -3.738 -6.572 1.00 0.00 C ATOM 1377 O LEU A 152 -0.789 -4.898 -6.353 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.479 -2.004 -4.893 1.00 0.00 C ATOM 1379 CG LEU A 152 0.759 -1.537 -4.141 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.818 -1.009 -5.106 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.389 -0.476 -3.121 1.00 0.00 C ATOM 0 H LEU A 152 -0.619 -0.631 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 152 0.826 -2.968 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.163 -1.162 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.992 -2.757 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 152 1.181 -2.393 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.692 -0.682 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.107 -1.800 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.412 -0.167 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.285 -0.152 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.060 0.377 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.324 -0.890 -2.408 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.285 -3.408 -7.101 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.263 -4.421 -7.480 1.00 0.00 C ATOM 1395 C LYS A 153 -2.584 -5.507 -8.318 1.00 0.00 C ATOM 1396 O LYS A 153 -3.001 -6.665 -8.318 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.410 -3.783 -8.271 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.789 -4.229 -7.817 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.317 -5.368 -8.675 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.711 -5.796 -8.241 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.741 -5.444 -9.256 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.579 -2.448 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.674 -4.872 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.341 -2.699 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.289 -4.025 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.745 -4.547 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -6.479 -3.386 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.340 -5.057 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -5.638 -6.218 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.723 -6.872 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.958 -5.319 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.677 -5.752 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.747 -4.414 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.520 -5.919 -10.154 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.517 -5.112 -9.019 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.749 -6.030 -9.855 1.00 0.00 C ATOM 1417 C TYR A 154 0.555 -6.429 -9.160 1.00 0.00 C ATOM 1418 O TYR A 154 1.508 -6.867 -9.805 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.436 -5.379 -11.203 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.657 -4.850 -11.919 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.504 -5.704 -12.617 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.965 -3.495 -11.898 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.621 -5.222 -13.272 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.080 -3.006 -12.550 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.904 -3.873 -13.236 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.016 -3.389 -13.887 1.00 0.00 O ATOM 0 H TYR A 154 -1.166 -4.154 -9.021 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.348 -6.926 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.266 -4.560 -11.047 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.062 -6.108 -11.842 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.285 -6.761 -12.648 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.321 -2.813 -11.363 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.269 -5.898 -13.809 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.305 -1.950 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.071 -2.419 -13.762 1.00 0.00 H new ATOM 1436 N SER A 155 0.580 -6.277 -7.839 1.00 0.00 N ATOM 1437 CA SER A 155 1.741 -6.618 -7.036 1.00 0.00 C ATOM 1438 C SER A 155 1.481 -7.914 -6.297 1.00 0.00 C ATOM 1439 O SER A 155 0.759 -7.941 -5.299 1.00 0.00 O ATOM 1440 CB SER A 155 2.038 -5.503 -6.035 1.00 0.00 C ATOM 1441 OG SER A 155 3.065 -5.887 -5.138 1.00 0.00 O ATOM 0 H SER A 155 -0.206 -5.914 -7.299 1.00 0.00 H new ATOM 0 HA SER A 155 2.603 -6.739 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.335 -4.600 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.134 -5.261 -5.476 1.00 0.00 H new ATOM 0 HG SER A 155 2.847 -5.571 -4.236 1.00 0.00 H new ATOM 1447 N VAL A 156 2.049 -8.989 -6.803 1.00 0.00 N ATOM 1448 CA VAL A 156 1.855 -10.293 -6.207 1.00 0.00 C ATOM 1449 C VAL A 156 3.047 -10.710 -5.346 1.00 0.00 C ATOM 1450 O VAL A 156 3.085 -11.826 -4.828 1.00 0.00 O ATOM 1451 CB VAL A 156 1.582 -11.336 -7.299 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.824 -11.572 -8.146 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.077 -12.635 -6.691 1.00 0.00 C ATOM 0 H VAL A 156 2.650 -8.985 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 156 0.989 -10.233 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 156 0.802 -10.947 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.606 -12.315 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.124 -10.638 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.634 -11.933 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.890 -13.359 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.826 -13.032 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.152 -12.446 -6.147 1.00 0.00 H new ATOM 1463 N VAL A 157 4.006 -9.802 -5.176 1.00 0.00 N ATOM 1464 CA VAL A 157 5.174 -10.079 -4.352 1.00 0.00 C ATOM 1465 C VAL A 157 4.783 -10.046 -2.881 1.00 0.00 C ATOM 1466 O VAL A 157 5.252 -10.853 -2.078 1.00 0.00 O ATOM 1467 CB VAL A 157 6.303 -9.061 -4.600 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.555 -9.455 -3.830 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.599 -8.942 -6.088 1.00 0.00 C ATOM 0 H VAL A 157 3.995 -8.873 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 157 5.543 -11.068 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 157 5.974 -8.086 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.342 -8.725 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.332 -9.483 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 157 7.889 -10.440 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.399 -8.218 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.907 -9.913 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.703 -8.610 -6.612 1.00 0.00 H new ATOM 1479 N LEU A 158 3.895 -9.114 -2.547 1.00 0.00 N ATOM 1480 CA LEU A 158 3.398 -8.966 -1.187 1.00 0.00 C ATOM 1481 C LEU A 158 1.938 -9.397 -1.144 1.00 0.00 C ATOM 1482 O LEU A 158 1.291 -9.498 -2.186 1.00 0.00 O ATOM 1483 CB LEU A 158 3.511 -7.509 -0.719 1.00 0.00 C ATOM 1484 CG LEU A 158 4.932 -6.941 -0.609 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.655 -7.514 0.599 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.722 -7.204 -1.881 1.00 0.00 C ATOM 0 H LEU A 158 3.503 -8.445 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 158 3.998 -9.589 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.944 -6.883 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.032 -7.424 0.256 1.00 0.00 H new ATOM 0 HG LEU A 158 4.851 -5.862 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.660 -7.095 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.106 -7.260 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.718 -8.598 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.726 -6.792 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.787 -8.278 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.220 -6.731 -2.725 1.00 0.00 H new ATOM 1498 N GLU A 159 1.408 -9.633 0.049 1.00 0.00 N ATOM 1499 CA GLU A 159 0.014 -10.027 0.172 1.00 0.00 C ATOM 1500 C GLU A 159 -0.836 -8.805 0.506 1.00 0.00 C ATOM 1501 O GLU A 159 -0.756 -8.260 1.600 1.00 0.00 O ATOM 1502 CB GLU A 159 -0.143 -11.119 1.241 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.543 -11.220 1.826 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.590 -11.560 0.783 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.655 -10.853 -0.245 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 -3.344 -12.534 0.994 1.00 0.00 O ATOM 0 H GLU A 159 1.914 -9.560 0.932 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.328 -10.440 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.127 -12.081 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.563 -10.926 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.552 -11.981 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.803 -10.274 2.301 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.640 -8.384 -0.459 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.505 -7.222 -0.305 1.00 0.00 C ATOM 1515 C LEU A 160 -3.843 -7.622 0.297 1.00 0.00 C ATOM 1516 O LEU A 160 -4.280 -8.760 0.119 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.776 -6.620 -1.685 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.676 -5.765 -2.304 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.136 -4.321 -2.476 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.405 -5.858 -1.483 1.00 0.00 C ATOM 0 H LEU A 160 -1.712 -8.837 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.009 -6.507 0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.995 -7.437 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.678 -6.011 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.456 -6.152 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.332 -3.733 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.009 -4.292 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.396 -3.904 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.369 -5.241 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.599 -5.505 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -0.070 -6.895 -1.448 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.543 -6.684 0.943 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.871 -7.023 1.453 1.00 0.00 C ATOM 1534 C ASN A 161 -6.703 -7.294 0.231 1.00 0.00 C ATOM 1535 O ASN A 161 -6.351 -6.765 -0.819 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.506 -5.897 2.277 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.991 -6.112 2.516 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.439 -7.236 2.741 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.758 -5.030 2.472 1.00 0.00 N ATOM 0 H ASN A 161 -4.231 -5.729 1.119 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.806 -7.875 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.995 -5.822 3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.359 -4.948 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.763 -5.110 2.628 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.343 -4.118 2.282 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.763 -8.103 0.408 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.677 -8.578 -0.646 1.00 0.00 C ATOM 1548 C GLU A 162 -8.974 -7.605 -1.775 1.00 0.00 C ATOM 1549 O GLU A 162 -8.795 -7.953 -2.942 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.995 -8.983 0.004 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.857 -9.833 -0.898 1.00 0.00 C ATOM 1552 CD GLU A 162 -12.300 -9.369 -0.941 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.772 -8.801 0.067 1.00 0.00 O1- ATOM 1554 OE2 GLU A 162 -12.959 -9.575 -1.982 1.00 0.00 O ATOM 0 H GLU A 162 -8.017 -8.459 1.330 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.153 -9.408 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.788 -9.531 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -10.546 -8.086 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.445 -9.817 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.823 -10.867 -0.556 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.392 -6.403 -1.463 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.660 -5.429 -2.514 1.00 0.00 C ATOM 1563 C ASP A 163 -8.351 -4.757 -2.853 1.00 0.00 C ATOM 1564 O ASP A 163 -8.301 -3.590 -3.245 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.693 -4.399 -2.054 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.103 -4.767 -2.475 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.312 -5.038 -3.675 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -12.997 -4.784 -1.602 1.00 0.00 O ATOM 0 H ASP A 163 -9.554 -6.072 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.074 -5.925 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.653 -4.308 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.437 -3.423 -2.466 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.279 -5.512 -2.620 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.931 -5.046 -2.798 1.00 0.00 C ATOM 1575 C HIS A 164 -5.793 -3.666 -2.212 1.00 0.00 C ATOM 1576 O HIS A 164 -4.979 -2.850 -2.641 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.488 -5.138 -4.248 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.385 -6.565 -4.683 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.109 -6.955 -5.976 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.525 -7.709 -3.963 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.085 -8.276 -6.036 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.334 -8.756 -4.830 1.00 0.00 N ATOM 0 H HIS A 164 -7.338 -6.478 -2.298 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.249 -5.700 -2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.198 -4.610 -4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.523 -4.646 -4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.745 -7.781 -2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.894 -8.864 -6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.377 -9.745 -4.583 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.601 -3.447 -1.179 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.597 -2.214 -0.457 1.00 0.00 C ATOM 1593 C ARG A 165 -5.498 -2.252 0.569 1.00 0.00 C ATOM 1594 O ARG A 165 -5.120 -1.209 1.103 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.940 -1.978 0.233 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.087 -1.728 -0.727 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.428 -1.933 -0.046 1.00 0.00 C ATOM 1598 NE ARG A 165 -11.011 -0.674 0.413 1.00 0.00 N ATOM 1599 CZ ARG A 165 -10.730 -0.107 1.585 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -9.872 -0.678 2.421 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.309 1.038 1.920 1.00 0.00 N ATOM 0 H ARG A 165 -7.272 -4.132 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.429 -1.396 -1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.178 -2.844 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.848 -1.124 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.025 -0.711 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -9.003 -2.400 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -11.115 -2.419 -0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.304 -2.605 0.803 1.00 0.00 H new ATOM 0 HE ARG A 165 -11.673 -0.201 -0.202 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -9.422 -1.558 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -9.662 -0.237 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.968 1.482 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -11.095 1.474 2.817 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.958 -3.449 0.865 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.878 -3.477 1.864 1.00 0.00 C ATOM 1617 C LYS A 166 -2.637 -4.179 1.356 1.00 0.00 C ATOM 1618 O LYS A 166 -2.572 -4.593 0.202 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.335 -4.112 3.177 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.594 -3.481 3.755 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.030 -4.175 5.035 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.551 -3.180 6.059 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.735 -2.432 5.555 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.226 -4.346 0.461 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.620 -2.435 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.514 -5.175 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.531 -4.033 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.413 -2.425 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.398 -3.532 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -6.807 -4.905 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.189 -4.725 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -6.818 -3.708 6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -5.760 -2.476 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -8.111 -1.826 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.454 -1.842 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.469 -3.105 5.254 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.657 -4.306 2.240 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.412 -4.963 1.913 1.00 0.00 C ATOM 1639 C VAL A 167 0.228 -5.527 3.168 1.00 0.00 C ATOM 1640 O VAL A 167 1.021 -4.874 3.845 1.00 0.00 O ATOM 1641 CB VAL A 167 0.559 -4.029 1.159 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.663 -2.670 1.840 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.933 -4.668 1.008 1.00 0.00 C ATOM 0 H VAL A 167 -1.708 -3.957 3.197 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.639 -5.787 1.236 1.00 0.00 H new ATOM 0 HB VAL A 167 0.151 -3.871 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.354 -2.036 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.320 -2.200 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 167 1.029 -2.800 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.594 -3.986 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.348 -4.877 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.842 -5.599 0.448 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.151 -6.757 3.465 1.00 0.00 N ATOM 1654 CA ARG A 168 0.352 -7.462 4.637 1.00 0.00 C ATOM 1655 C ARG A 168 1.219 -8.646 4.219 1.00 0.00 C ATOM 1656 O ARG A 168 1.064 -9.177 3.123 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.814 -7.948 5.502 1.00 0.00 C ATOM 1658 CG ARG A 168 -1.644 -9.042 4.850 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.281 -10.416 5.389 1.00 0.00 C ATOM 1660 NE ARG A 168 -2.454 -11.277 5.527 1.00 0.00 N ATOM 1661 CZ ARG A 168 -2.437 -12.463 6.131 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -1.310 -12.933 6.654 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -3.548 -13.181 6.214 1.00 0.00 N ATOM 0 H ARG A 168 -0.813 -7.296 2.906 1.00 0.00 H new ATOM 0 HA ARG A 168 0.962 -6.771 5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -0.422 -8.317 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.461 -7.102 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -2.702 -8.850 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.491 -9.022 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.561 -10.889 4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -0.794 -10.308 6.358 1.00 0.00 H new ATOM 0 HE ARG A 168 -3.338 -10.950 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.452 -12.384 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -1.302 -13.842 7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -4.416 -12.825 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -3.535 -14.090 6.677 1.00 0.00 H new ATOM 1677 N ARG A 169 2.131 -9.054 5.096 1.00 0.00 N ATOM 1678 CA ARG A 169 3.013 -10.179 4.805 1.00 0.00 C ATOM 1679 C ARG A 169 2.614 -11.407 5.617 1.00 0.00 C ATOM 1680 O ARG A 169 2.054 -11.289 6.707 1.00 0.00 O ATOM 1681 CB ARG A 169 4.470 -9.813 5.095 1.00 0.00 C ATOM 1682 CG ARG A 169 5.307 -9.613 3.842 1.00 0.00 C ATOM 1683 CD ARG A 169 6.769 -9.953 4.086 1.00 0.00 C ATOM 1684 NE ARG A 169 7.161 -11.195 3.425 1.00 0.00 N ATOM 1685 CZ ARG A 169 7.457 -11.284 2.130 1.00 0.00 C ATOM 1686 NH1 ARG A 169 7.408 -10.208 1.354 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 7.804 -12.454 1.609 1.00 0.00 N ATOM 0 H ARG A 169 2.278 -8.625 6.010 1.00 0.00 H new ATOM 0 HA ARG A 169 2.914 -10.415 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.495 -8.899 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 169 4.920 -10.599 5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 169 4.916 -10.238 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 169 5.224 -8.578 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.396 -9.137 3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 169 6.946 -10.041 5.158 1.00 0.00 H new ATOM 0 HE ARG A 169 7.211 -12.044 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 169 7.142 -9.306 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 169 7.636 -10.283 0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 169 7.844 -13.284 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 169 8.031 -12.523 0.617 1.00 0.00 H new ATOM 1701 N THR A 170 2.914 -12.584 5.080 1.00 0.00 N ATOM 1702 CA THR A 170 2.594 -13.836 5.754 1.00 0.00 C ATOM 1703 C THR A 170 3.852 -14.483 6.330 1.00 0.00 C ATOM 1704 O THR A 170 3.767 -15.411 7.136 1.00 0.00 O ATOM 1705 CB THR A 170 1.912 -14.799 4.782 1.00 0.00 C ATOM 1706 OG1 THR A 170 2.817 -15.225 3.779 1.00 0.00 O ATOM 1707 CG2 THR A 170 0.709 -14.196 4.089 1.00 0.00 C ATOM 0 H THR A 170 3.379 -12.697 4.179 1.00 0.00 H new ATOM 0 HA THR A 170 1.913 -13.614 6.576 1.00 0.00 H new ATOM 0 HB THR A 170 1.578 -15.637 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 170 2.362 -15.842 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 170 0.272 -14.931 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 170 -0.031 -13.902 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.018 -13.319 3.520 1.00 0.00 H new ATOM 1715 N THR A 171 5.018 -13.994 5.913 1.00 0.00 N ATOM 1716 CA THR A 171 6.286 -14.532 6.390 1.00 0.00 C ATOM 1717 C THR A 171 7.349 -13.437 6.478 1.00 0.00 C ATOM 1718 O THR A 171 8.325 -13.445 5.727 1.00 0.00 O ATOM 1719 CB THR A 171 6.765 -15.649 5.461 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.085 -16.043 5.789 1.00 0.00 O ATOM 1721 CG2 THR A 171 6.751 -15.255 4.000 1.00 0.00 C ATOM 0 H THR A 171 5.109 -13.227 5.247 1.00 0.00 H new ATOM 0 HA THR A 171 6.128 -14.937 7.390 1.00 0.00 H new ATOM 0 HB THR A 171 6.063 -16.470 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.704 -15.310 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.102 -16.091 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 171 5.735 -14.993 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.406 -14.397 3.848 1.00 0.00 H new ATOM 1729 N PRO A 172 7.175 -12.477 7.403 1.00 0.00 N ATOM 1730 CA PRO A 172 8.128 -11.377 7.587 1.00 0.00 C ATOM 1731 C PRO A 172 9.478 -11.869 8.098 1.00 0.00 C ATOM 1732 O PRO A 172 9.617 -13.029 8.486 1.00 0.00 O ATOM 1733 CB PRO A 172 7.452 -10.483 8.631 1.00 0.00 C ATOM 1734 CG PRO A 172 6.515 -11.385 9.356 1.00 0.00 C ATOM 1735 CD PRO A 172 6.044 -12.392 8.345 1.00 0.00 C ATOM 0 HA PRO A 172 8.344 -10.863 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 172 8.184 -10.045 9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.920 -9.657 8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 172 7.014 -11.875 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.676 -10.825 9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.831 -13.356 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 172 5.130 -12.067 7.848 1.00 0.00 H new