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 161 ASN : amide:sc= -1.46 K(o=-0.31,f=-4.4) USER MOD Set 1.2: A 166 LYS NZ :NH3+ 149:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 150 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.13) USER MOD Set 2.2: A 154 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0492) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.12) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.58 K(o=-2.6,f=-7.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 65:sc= 1.13 USER MOD Single : A 134 SER OG : rot -34:sc= 0.922 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -178:sc= 0.868 (180deg=0.866) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.0053) USER MOD Single : A 142 THR OG1 : rot -60:sc= -0.127! USER MOD Single : A 147 THR OG1 : rot -59:sc= -1.29 USER MOD Single : A 148 THR OG1 : rot 55:sc= -1.62! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot -125:sc= -3.02! USER MOD Single : A 164 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-7.5!) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -66:sc= 0.417 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.549 3.669 -16.256 1.00 0.00 N ATOM 258 CA PRO A 87 -5.515 2.680 -15.929 1.00 0.00 C ATOM 259 C PRO A 87 -4.110 3.175 -16.274 1.00 0.00 C ATOM 260 O PRO A 87 -3.886 3.725 -17.352 1.00 0.00 O ATOM 261 CB PRO A 87 -5.882 1.466 -16.791 1.00 0.00 C ATOM 262 CG PRO A 87 -6.777 2.000 -17.858 1.00 0.00 C ATOM 263 CD PRO A 87 -7.517 3.148 -17.236 1.00 0.00 C ATOM 0 HA PRO A 87 -5.489 2.462 -14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.992 1.003 -17.218 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.386 0.702 -16.200 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.201 2.329 -18.723 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.468 1.233 -18.208 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.789 3.901 -17.975 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.441 2.822 -16.758 1.00 0.00 H new ATOM 271 N PRO A 88 -3.139 2.985 -15.359 1.00 0.00 N ATOM 272 CA PRO A 88 -1.758 3.413 -15.569 1.00 0.00 C ATOM 273 C PRO A 88 -0.936 2.375 -16.329 1.00 0.00 C ATOM 274 O PRO A 88 -1.489 1.468 -16.950 1.00 0.00 O ATOM 275 CB PRO A 88 -1.244 3.567 -14.140 1.00 0.00 C ATOM 276 CG PRO A 88 -1.978 2.525 -13.364 1.00 0.00 C ATOM 277 CD PRO A 88 -3.315 2.341 -14.043 1.00 0.00 C ATOM 0 HA PRO A 88 -1.685 4.318 -16.173 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.166 3.415 -14.088 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.444 4.566 -13.752 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.420 1.589 -13.348 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.110 2.835 -12.327 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.569 1.286 -14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.119 2.808 -13.474 1.00 0.00 H new ATOM 285 N ASP A 89 0.386 2.509 -16.271 1.00 0.00 N ATOM 286 CA ASP A 89 1.278 1.589 -16.942 1.00 0.00 C ATOM 287 C ASP A 89 2.142 0.858 -15.927 1.00 0.00 C ATOM 288 O ASP A 89 2.503 1.411 -14.889 1.00 0.00 O ATOM 289 CB ASP A 89 2.159 2.333 -17.947 1.00 0.00 C ATOM 290 CG ASP A 89 1.379 2.815 -19.153 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.677 1.989 -19.775 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.470 4.017 -19.477 1.00 0.00 O1- ATOM 0 H ASP A 89 0.859 3.254 -15.760 1.00 0.00 H new ATOM 0 HA ASP A 89 0.677 0.858 -17.483 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.626 3.186 -17.455 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.964 1.676 -18.277 1.00 0.00 H new ATOM 297 N GLU A 90 2.472 -0.388 -16.236 1.00 0.00 N ATOM 298 CA GLU A 90 3.294 -1.201 -15.360 1.00 0.00 C ATOM 299 C GLU A 90 4.598 -0.493 -15.008 1.00 0.00 C ATOM 300 O GLU A 90 5.240 -0.819 -14.010 1.00 0.00 O ATOM 301 CB GLU A 90 3.595 -2.540 -16.023 1.00 0.00 C ATOM 302 CG GLU A 90 3.917 -2.436 -17.506 1.00 0.00 C ATOM 303 CD GLU A 90 2.897 -3.144 -18.377 1.00 0.00 C ATOM 304 OE1 GLU A 90 1.720 -3.222 -17.968 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 3.277 -3.621 -19.467 1.00 0.00 O ATOM 0 H GLU A 90 2.179 -0.857 -17.093 1.00 0.00 H new ATOM 0 HA GLU A 90 2.739 -1.368 -14.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.436 -3.007 -15.511 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.737 -3.199 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.965 -1.385 -17.791 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.904 -2.861 -17.690 1.00 0.00 H new ATOM 312 N GLU A 91 4.982 0.484 -15.826 1.00 0.00 N ATOM 313 CA GLU A 91 6.206 1.239 -15.585 1.00 0.00 C ATOM 314 C GLU A 91 6.181 1.847 -14.191 1.00 0.00 C ATOM 315 O GLU A 91 7.104 1.663 -13.394 1.00 0.00 O ATOM 316 CB GLU A 91 6.359 2.347 -16.626 1.00 0.00 C ATOM 317 CG GLU A 91 6.309 1.849 -18.061 1.00 0.00 C ATOM 318 CD GLU A 91 5.738 2.878 -19.017 1.00 0.00 C ATOM 319 OE1 GLU A 91 4.907 3.700 -18.577 1.00 0.00 O ATOM 320 OE2 GLU A 91 6.122 2.862 -20.205 1.00 0.00 O1- ATOM 0 H GLU A 91 4.465 0.770 -16.658 1.00 0.00 H new ATOM 0 HA GLU A 91 7.054 0.558 -15.663 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.569 3.083 -16.479 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.307 2.859 -16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.315 1.579 -18.383 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.705 0.943 -18.106 1.00 0.00 H new ATOM 327 N LEU A 92 5.105 2.565 -13.902 1.00 0.00 N ATOM 328 CA LEU A 92 4.939 3.199 -12.606 1.00 0.00 C ATOM 329 C LEU A 92 4.539 2.173 -11.549 1.00 0.00 C ATOM 330 O LEU A 92 4.767 2.379 -10.357 1.00 0.00 O ATOM 331 CB LEU A 92 3.893 4.308 -12.694 1.00 0.00 C ATOM 332 CG LEU A 92 3.883 5.294 -11.523 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.287 4.646 -10.283 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.289 5.804 -11.238 1.00 0.00 C ATOM 0 H LEU A 92 4.333 2.722 -14.550 1.00 0.00 H new ATOM 0 HA LEU A 92 5.893 3.637 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.056 4.866 -13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.907 3.849 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 92 3.260 6.145 -11.798 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.289 5.362 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.263 4.335 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.881 3.775 -10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.260 6.503 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.937 4.964 -10.986 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.678 6.310 -12.121 1.00 0.00 H new ATOM 346 N ILE A 93 3.952 1.062 -11.987 1.00 0.00 N ATOM 347 CA ILE A 93 3.538 0.013 -11.068 1.00 0.00 C ATOM 348 C ILE A 93 4.753 -0.677 -10.461 1.00 0.00 C ATOM 349 O ILE A 93 4.744 -1.055 -9.291 1.00 0.00 O ATOM 350 CB ILE A 93 2.654 -1.033 -11.771 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.426 -0.358 -12.386 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.233 -2.121 -10.793 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.584 -1.287 -13.230 1.00 0.00 C ATOM 0 H ILE A 93 3.754 0.868 -12.969 1.00 0.00 H new ATOM 0 HA ILE A 93 2.955 0.485 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 93 3.232 -1.498 -12.570 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.809 0.053 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.752 0.481 -13.000 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.609 -2.851 -11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.119 -2.616 -10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.669 -1.675 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.268 -0.740 -13.633 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.185 -1.678 -14.051 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.227 -2.114 -12.616 1.00 0.00 H new ATOM 365 N LYS A 94 5.799 -0.833 -11.265 1.00 0.00 N ATOM 366 CA LYS A 94 7.025 -1.470 -10.806 1.00 0.00 C ATOM 367 C LYS A 94 7.765 -0.563 -9.829 1.00 0.00 C ATOM 368 O LYS A 94 8.390 -1.034 -8.880 1.00 0.00 O ATOM 369 CB LYS A 94 7.928 -1.812 -11.993 1.00 0.00 C ATOM 370 CG LYS A 94 7.598 -3.145 -12.645 1.00 0.00 C ATOM 371 CD LYS A 94 8.551 -4.240 -12.191 1.00 0.00 C ATOM 372 CE LYS A 94 8.816 -5.242 -13.303 1.00 0.00 C ATOM 373 NZ LYS A 94 7.566 -5.907 -13.762 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.821 -0.527 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 94 6.759 -2.394 -10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.847 -1.022 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.965 -1.828 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.574 -3.428 -12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.649 -3.043 -13.729 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.492 -3.795 -11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.130 -4.755 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.287 -4.734 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.520 -5.996 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.801 -6.653 -14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.077 -6.327 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.945 -5.205 -14.214 1.00 0.00 H new ATOM 387 N LYS A 95 7.679 0.743 -10.060 1.00 0.00 N ATOM 388 CA LYS A 95 8.330 1.710 -9.185 1.00 0.00 C ATOM 389 C LYS A 95 7.702 1.673 -7.794 1.00 0.00 C ATOM 390 O LYS A 95 8.393 1.493 -6.789 1.00 0.00 O ATOM 391 CB LYS A 95 8.222 3.120 -9.771 1.00 0.00 C ATOM 392 CG LYS A 95 8.883 3.266 -11.132 1.00 0.00 C ATOM 393 CD LYS A 95 10.251 3.919 -11.020 1.00 0.00 C ATOM 394 CE LYS A 95 11.366 2.886 -11.042 1.00 0.00 C ATOM 395 NZ LYS A 95 11.844 2.615 -12.426 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.168 1.154 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 95 9.384 1.445 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.169 3.389 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.676 3.828 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.984 2.285 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.246 3.863 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.388 4.621 -11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.306 4.495 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.199 3.237 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.011 1.959 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.604 1.906 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.056 2.256 -13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.207 3.494 -12.846 1.00 0.00 H new ATOM 409 N LEU A 96 6.383 1.834 -7.748 1.00 0.00 N ATOM 410 CA LEU A 96 5.649 1.812 -6.488 1.00 0.00 C ATOM 411 C LEU A 96 5.918 0.518 -5.725 1.00 0.00 C ATOM 412 O LEU A 96 6.365 0.540 -4.577 1.00 0.00 O ATOM 413 CB LEU A 96 4.148 1.963 -6.749 1.00 0.00 C ATOM 414 CG LEU A 96 3.552 3.290 -6.305 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.486 3.759 -7.284 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.978 3.169 -4.903 1.00 0.00 C ATOM 0 H LEU A 96 5.800 1.982 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 96 5.992 2.649 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.965 1.838 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.622 1.156 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 96 4.347 4.036 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.074 4.710 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.930 3.887 -8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.689 3.017 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.555 4.127 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.197 2.408 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.769 2.885 -4.209 1.00 0.00 H new ATOM 428 N VAL A 97 5.644 -0.610 -6.374 1.00 0.00 N ATOM 429 CA VAL A 97 5.859 -1.914 -5.759 1.00 0.00 C ATOM 430 C VAL A 97 7.280 -2.033 -5.214 1.00 0.00 C ATOM 431 O VAL A 97 7.520 -2.721 -4.222 1.00 0.00 O ATOM 432 CB VAL A 97 5.603 -3.058 -6.759 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.581 -2.986 -7.918 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.693 -4.405 -6.063 1.00 0.00 C ATOM 0 H VAL A 97 5.273 -0.646 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 97 5.148 -1.999 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 97 4.595 -2.946 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.383 -3.803 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.463 -2.034 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.600 -3.070 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.509 -5.201 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.687 -4.527 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.947 -4.455 -5.270 1.00 0.00 H new ATOM 444 N ASP A 98 8.214 -1.352 -5.869 1.00 0.00 N ATOM 445 CA ASP A 98 9.609 -1.373 -5.450 1.00 0.00 C ATOM 446 C ASP A 98 9.752 -0.816 -4.039 1.00 0.00 C ATOM 447 O ASP A 98 10.597 -1.267 -3.265 1.00 0.00 O ATOM 448 CB ASP A 98 10.469 -0.564 -6.423 1.00 0.00 C ATOM 449 CG ASP A 98 11.816 -1.212 -6.678 1.00 0.00 C ATOM 450 OD1 ASP A 98 11.840 -2.403 -7.056 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.847 -0.529 -6.503 1.00 0.00 O1- ATOM 0 H ASP A 98 8.029 -0.779 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 98 9.952 -2.407 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.937 -0.453 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.621 0.438 -6.023 1.00 0.00 H new ATOM 456 N GLN A 99 8.917 0.165 -3.708 1.00 0.00 N ATOM 457 CA GLN A 99 8.951 0.777 -2.385 1.00 0.00 C ATOM 458 C GLN A 99 8.493 -0.216 -1.324 1.00 0.00 C ATOM 459 O GLN A 99 9.019 -0.237 -0.211 1.00 0.00 O ATOM 460 CB GLN A 99 8.066 2.026 -2.353 1.00 0.00 C ATOM 461 CG GLN A 99 8.825 3.317 -2.612 1.00 0.00 C ATOM 462 CD GLN A 99 9.282 3.445 -4.052 1.00 0.00 C ATOM 463 OE1 GLN A 99 10.479 3.516 -4.332 1.00 0.00 O ATOM 464 NE2 GLN A 99 8.328 3.477 -4.975 1.00 0.00 N ATOM 0 H GLN A 99 8.212 0.551 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 99 9.979 1.068 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.278 1.922 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.578 2.090 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.189 4.165 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.693 3.363 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.348 3.415 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.575 3.563 -5.961 1.00 0.00 H new ATOM 473 N ILE A 100 7.510 -1.037 -1.676 1.00 0.00 N ATOM 474 CA ILE A 100 6.980 -2.035 -0.758 1.00 0.00 C ATOM 475 C ILE A 100 8.033 -3.067 -0.414 1.00 0.00 C ATOM 476 O ILE A 100 8.450 -3.194 0.738 1.00 0.00 O ATOM 477 CB ILE A 100 5.767 -2.766 -1.358 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.869 -1.801 -2.137 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.979 -3.451 -0.260 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.585 -0.516 -1.395 1.00 0.00 C ATOM 0 H ILE A 100 7.064 -1.030 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 100 6.673 -1.501 0.141 1.00 0.00 H new ATOM 0 HB ILE A 100 6.133 -3.519 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.342 -1.565 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.925 -2.297 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.122 -3.966 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.617 -4.174 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.630 -2.707 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.944 0.121 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.084 -0.742 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.523 0.001 -1.191 1.00 0.00 H new ATOM 492 N GLU A 101 8.475 -3.795 -1.429 1.00 0.00 N ATOM 493 CA GLU A 101 9.501 -4.818 -1.248 1.00 0.00 C ATOM 494 C GLU A 101 10.669 -4.266 -0.433 1.00 0.00 C ATOM 495 O GLU A 101 11.411 -5.016 0.203 1.00 0.00 O ATOM 496 CB GLU A 101 9.999 -5.321 -2.604 1.00 0.00 C ATOM 497 CG GLU A 101 10.872 -6.562 -2.509 1.00 0.00 C ATOM 498 CD GLU A 101 12.352 -6.234 -2.501 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.780 -5.398 -3.325 1.00 0.00 O ATOM 500 OE2 GLU A 101 13.084 -6.811 -1.669 1.00 0.00 O1- ATOM 0 H GLU A 101 8.141 -3.698 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 101 9.059 -5.653 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.140 -5.539 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.563 -4.526 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.620 -7.110 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.654 -7.220 -3.350 1.00 0.00 H new ATOM 507 N PHE A 102 10.807 -2.944 -0.446 1.00 0.00 N ATOM 508 CA PHE A 102 11.861 -2.269 0.301 1.00 0.00 C ATOM 509 C PHE A 102 11.412 -2.043 1.737 1.00 0.00 C ATOM 510 O PHE A 102 12.163 -2.263 2.688 1.00 0.00 O ATOM 511 CB PHE A 102 12.188 -0.929 -0.367 1.00 0.00 C ATOM 512 CG PHE A 102 12.941 0.031 0.513 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.272 0.785 1.464 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.312 0.179 0.387 1.00 0.00 C ATOM 515 CE1 PHE A 102 12.958 1.670 2.274 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.004 1.063 1.193 1.00 0.00 C ATOM 517 CZ PHE A 102 14.325 1.810 2.138 1.00 0.00 C ATOM 0 H PHE A 102 10.197 -2.316 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 102 12.756 -2.891 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.775 -1.118 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.258 -0.459 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.203 0.680 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.846 -0.403 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.426 2.251 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.073 1.170 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 102 14.863 2.502 2.769 1.00 0.00 H new ATOM 527 N TYR A 103 10.173 -1.597 1.871 1.00 0.00 N ATOM 528 CA TYR A 103 9.575 -1.321 3.170 1.00 0.00 C ATOM 529 C TYR A 103 9.622 -2.554 4.069 1.00 0.00 C ATOM 530 O TYR A 103 10.122 -2.503 5.193 1.00 0.00 O ATOM 531 CB TYR A 103 8.122 -0.855 2.977 1.00 0.00 C ATOM 532 CG TYR A 103 7.083 -1.808 3.539 1.00 0.00 C ATOM 533 CD1 TYR A 103 6.808 -1.823 4.897 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.388 -2.694 2.721 1.00 0.00 C ATOM 535 CE1 TYR A 103 5.879 -2.687 5.430 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.451 -3.564 3.248 1.00 0.00 C ATOM 537 CZ TYR A 103 5.200 -3.557 4.603 1.00 0.00 C ATOM 538 OH TYR A 103 4.269 -4.422 5.133 1.00 0.00 O ATOM 0 H TYR A 103 9.552 -1.416 1.082 1.00 0.00 H new ATOM 0 HA TYR A 103 10.147 -0.532 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 103 7.999 0.119 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 103 7.935 -0.718 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.334 -1.143 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.583 -2.702 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.682 -2.684 6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.919 -4.245 2.601 1.00 0.00 H new ATOM 0 HH TYR A 103 3.881 -4.965 4.415 1.00 0.00 H new ATOM 548 N PHE A 104 9.065 -3.649 3.569 1.00 0.00 N ATOM 549 CA PHE A 104 8.999 -4.898 4.321 1.00 0.00 C ATOM 550 C PHE A 104 10.362 -5.579 4.467 1.00 0.00 C ATOM 551 O PHE A 104 10.457 -6.651 5.067 1.00 0.00 O ATOM 552 CB PHE A 104 7.999 -5.845 3.650 1.00 0.00 C ATOM 553 CG PHE A 104 7.949 -7.221 4.253 1.00 0.00 C ATOM 554 CD1 PHE A 104 7.893 -7.390 5.626 1.00 0.00 C ATOM 555 CD2 PHE A 104 7.957 -8.344 3.442 1.00 0.00 C ATOM 556 CE1 PHE A 104 7.844 -8.655 6.179 1.00 0.00 C ATOM 557 CE2 PHE A 104 7.908 -9.611 3.988 1.00 0.00 C ATOM 558 CZ PHE A 104 7.852 -9.768 5.359 1.00 0.00 C ATOM 0 H PHE A 104 8.649 -3.699 2.639 1.00 0.00 H new ATOM 0 HA PHE A 104 8.666 -4.654 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.005 -5.402 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.253 -5.933 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.888 -6.524 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.002 -8.227 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.799 -8.774 7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.913 -10.478 3.344 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.815 -10.758 5.789 1.00 0.00 H new ATOM 568 N SER A 105 11.420 -4.963 3.954 1.00 0.00 N ATOM 569 CA SER A 105 12.752 -5.548 4.087 1.00 0.00 C ATOM 570 C SER A 105 13.140 -5.616 5.565 1.00 0.00 C ATOM 571 O SER A 105 12.957 -4.650 6.300 1.00 0.00 O ATOM 572 CB SER A 105 13.782 -4.730 3.305 1.00 0.00 C ATOM 573 OG SER A 105 15.103 -5.108 3.652 1.00 0.00 O ATOM 0 H SER A 105 11.387 -4.076 3.451 1.00 0.00 H new ATOM 0 HA SER A 105 12.735 -6.557 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.629 -4.873 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.639 -3.669 3.508 1.00 0.00 H new ATOM 0 HG SER A 105 15.742 -4.572 3.138 1.00 0.00 H new ATOM 579 N ASP A 106 13.660 -6.769 5.999 1.00 0.00 N ATOM 580 CA ASP A 106 14.059 -6.970 7.403 1.00 0.00 C ATOM 581 C ASP A 106 14.672 -5.706 8.010 1.00 0.00 C ATOM 582 O ASP A 106 14.147 -5.138 8.972 1.00 0.00 O ATOM 583 CB ASP A 106 15.078 -8.112 7.511 1.00 0.00 C ATOM 584 CG ASP A 106 15.963 -8.232 6.284 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.452 -8.647 5.222 1.00 0.00 O ATOM 586 OD2 ASP A 106 17.164 -7.909 6.384 1.00 0.00 O1- ATOM 0 H ASP A 106 13.816 -7.580 5.400 1.00 0.00 H new ATOM 0 HA ASP A 106 13.154 -7.219 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.703 -7.952 8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.548 -9.052 7.664 1.00 0.00 H new ATOM 591 N GLU A 107 15.790 -5.283 7.440 1.00 0.00 N ATOM 592 CA GLU A 107 16.505 -4.110 7.894 1.00 0.00 C ATOM 593 C GLU A 107 15.652 -2.851 7.822 1.00 0.00 C ATOM 594 O GLU A 107 15.946 -1.848 8.471 1.00 0.00 O ATOM 595 CB GLU A 107 17.737 -3.945 7.023 1.00 0.00 C ATOM 596 CG GLU A 107 17.455 -3.350 5.650 1.00 0.00 C ATOM 597 CD GLU A 107 18.224 -4.046 4.543 1.00 0.00 C ATOM 598 OE1 GLU A 107 18.233 -5.294 4.520 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 18.818 -3.340 3.699 1.00 0.00 O ATOM 0 H GLU A 107 16.226 -5.750 6.645 1.00 0.00 H new ATOM 0 HA GLU A 107 16.777 -4.250 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.453 -3.308 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.211 -4.918 6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.387 -3.416 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.714 -2.291 5.657 1.00 0.00 H new ATOM 606 N ASN A 108 14.607 -2.912 7.020 1.00 0.00 N ATOM 607 CA ASN A 108 13.714 -1.777 6.845 1.00 0.00 C ATOM 608 C ASN A 108 12.570 -1.830 7.840 1.00 0.00 C ATOM 609 O ASN A 108 11.962 -0.811 8.152 1.00 0.00 O ATOM 610 CB ASN A 108 13.163 -1.744 5.419 1.00 0.00 C ATOM 611 CG ASN A 108 14.110 -1.061 4.450 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.467 -1.619 3.413 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.521 0.157 4.785 1.00 0.00 N ATOM 0 H ASN A 108 14.353 -3.737 6.477 1.00 0.00 H new ATOM 0 HA ASN A 108 14.288 -0.868 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.974 -2.763 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.205 -1.224 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.158 0.667 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.200 0.582 5.655 1.00 0.00 H new ATOM 620 N LEU A 109 12.291 -3.021 8.353 1.00 0.00 N ATOM 621 CA LEU A 109 11.238 -3.203 9.317 1.00 0.00 C ATOM 622 C LEU A 109 11.555 -2.424 10.558 1.00 0.00 C ATOM 623 O LEU A 109 10.757 -1.612 11.028 1.00 0.00 O ATOM 624 CB LEU A 109 11.107 -4.672 9.643 1.00 0.00 C ATOM 625 CG LEU A 109 10.135 -5.427 8.757 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.787 -5.501 9.445 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.992 -4.768 7.395 1.00 0.00 C ATOM 0 H LEU A 109 12.790 -3.876 8.109 1.00 0.00 H new ATOM 0 HA LEU A 109 10.295 -2.843 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.089 -5.138 9.564 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.789 -4.774 10.680 1.00 0.00 H new ATOM 0 HG LEU A 109 10.525 -6.432 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.085 -6.043 8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.893 -6.021 10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.413 -4.493 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.288 -5.337 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.623 -3.750 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.962 -4.744 6.899 1.00 0.00 H new ATOM 639 N GLU A 110 12.750 -2.656 11.072 1.00 0.00 N ATOM 640 CA GLU A 110 13.199 -1.955 12.241 1.00 0.00 C ATOM 641 C GLU A 110 13.054 -0.450 12.029 1.00 0.00 C ATOM 642 O GLU A 110 12.994 0.326 12.984 1.00 0.00 O ATOM 643 CB GLU A 110 14.656 -2.292 12.586 1.00 0.00 C ATOM 644 CG GLU A 110 15.235 -3.505 11.876 1.00 0.00 C ATOM 645 CD GLU A 110 16.720 -3.673 12.132 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.217 -3.114 13.133 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 17.387 -4.363 11.333 1.00 0.00 O ATOM 0 H GLU A 110 13.419 -3.325 10.692 1.00 0.00 H new ATOM 0 HA GLU A 110 12.577 -2.274 13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.276 -1.426 12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.728 -2.454 13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.709 -4.401 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.063 -3.411 10.804 1.00 0.00 H new ATOM 654 N LYS A 111 13.013 -0.053 10.758 1.00 0.00 N ATOM 655 CA LYS A 111 12.894 1.345 10.382 1.00 0.00 C ATOM 656 C LYS A 111 11.612 1.616 9.594 1.00 0.00 C ATOM 657 O LYS A 111 11.516 2.625 8.896 1.00 0.00 O ATOM 658 CB LYS A 111 14.101 1.730 9.537 1.00 0.00 C ATOM 659 CG LYS A 111 15.274 2.238 10.354 1.00 0.00 C ATOM 660 CD LYS A 111 14.969 3.583 10.994 1.00 0.00 C ATOM 661 CE LYS A 111 14.548 3.427 12.447 1.00 0.00 C ATOM 662 NZ LYS A 111 13.372 4.278 12.778 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.062 -0.694 9.966 1.00 0.00 H new ATOM 0 HA LYS A 111 12.854 1.943 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.420 0.864 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 111 13.805 2.499 8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.519 1.513 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.152 2.329 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.850 4.223 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.176 4.081 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.308 2.382 12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.382 3.691 13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.116 4.143 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.609 5.277 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.568 4.009 12.175 1.00 0.00 H new ATOM 676 N ASP A 112 10.642 0.711 9.678 1.00 0.00 N ATOM 677 CA ASP A 112 9.399 0.879 8.931 1.00 0.00 C ATOM 678 C ASP A 112 8.174 0.549 9.772 1.00 0.00 C ATOM 679 O ASP A 112 7.286 -0.203 9.356 1.00 0.00 O ATOM 680 CB ASP A 112 9.433 0.012 7.687 1.00 0.00 C ATOM 681 CG ASP A 112 8.395 0.419 6.676 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.207 0.474 7.044 1.00 0.00 O ATOM 683 OD2 ASP A 112 8.766 0.686 5.514 1.00 0.00 O1- ATOM 0 H ASP A 112 10.690 -0.134 10.247 1.00 0.00 H new ATOM 0 HA ASP A 112 9.319 1.928 8.648 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.422 0.072 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.274 -1.029 7.968 1.00 0.00 H new ATOM 688 N ALA A 113 8.126 1.135 10.948 1.00 0.00 N ATOM 689 CA ALA A 113 7.008 0.933 11.854 1.00 0.00 C ATOM 690 C ALA A 113 5.785 1.742 11.412 1.00 0.00 C ATOM 691 O ALA A 113 4.704 1.609 11.983 1.00 0.00 O ATOM 692 CB ALA A 113 7.412 1.297 13.273 1.00 0.00 C ATOM 0 H ALA A 113 8.850 1.759 11.304 1.00 0.00 H new ATOM 0 HA ALA A 113 6.733 -0.121 11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.567 1.142 13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.244 0.667 13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.715 2.343 13.308 1.00 0.00 H new ATOM 698 N PHE A 114 5.960 2.578 10.388 1.00 0.00 N ATOM 699 CA PHE A 114 4.866 3.399 9.874 1.00 0.00 C ATOM 700 C PHE A 114 3.895 2.560 9.047 1.00 0.00 C ATOM 701 O PHE A 114 2.692 2.813 9.042 1.00 0.00 O ATOM 702 CB PHE A 114 5.412 4.552 9.025 1.00 0.00 C ATOM 703 CG PHE A 114 6.440 4.124 8.016 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.082 3.337 6.933 1.00 0.00 C ATOM 705 CD2 PHE A 114 7.766 4.499 8.158 1.00 0.00 C ATOM 706 CE1 PHE A 114 7.025 2.936 6.008 1.00 0.00 C ATOM 707 CE2 PHE A 114 8.714 4.101 7.235 1.00 0.00 C ATOM 708 CZ PHE A 114 8.344 3.319 6.159 1.00 0.00 C ATOM 0 H PHE A 114 6.847 2.704 9.900 1.00 0.00 H new ATOM 0 HA PHE A 114 4.328 3.811 10.728 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.583 5.033 8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.852 5.300 9.684 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.053 3.034 6.811 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.062 5.109 8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.732 2.324 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.744 4.402 7.355 1.00 0.00 H new ATOM 0 HZ PHE A 114 9.084 3.007 5.437 1.00 0.00 H new ATOM 718 N LEU A 115 4.422 1.563 8.346 1.00 0.00 N ATOM 719 CA LEU A 115 3.593 0.692 7.521 1.00 0.00 C ATOM 720 C LEU A 115 2.983 -0.425 8.363 1.00 0.00 C ATOM 721 O LEU A 115 1.775 -0.657 8.324 1.00 0.00 O ATOM 722 CB LEU A 115 4.419 0.096 6.371 1.00 0.00 C ATOM 723 CG LEU A 115 3.848 0.306 4.961 1.00 0.00 C ATOM 724 CD1 LEU A 115 4.700 1.293 4.179 1.00 0.00 C ATOM 725 CD2 LEU A 115 3.761 -1.018 4.210 1.00 0.00 C ATOM 0 H LEU A 115 5.417 1.338 8.332 1.00 0.00 H new ATOM 0 HA LEU A 115 2.785 1.290 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.419 0.527 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.527 -0.975 6.543 1.00 0.00 H new ATOM 0 HG LEU A 115 2.843 0.715 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.279 1.428 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.717 2.251 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.716 0.909 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.354 -0.845 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.756 -1.454 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.110 -1.703 4.754 1.00 0.00 H new ATOM 737 N LEU A 116 3.832 -1.124 9.115 1.00 0.00 N ATOM 738 CA LEU A 116 3.373 -2.233 9.954 1.00 0.00 C ATOM 739 C LEU A 116 2.849 -1.772 11.318 1.00 0.00 C ATOM 740 O LEU A 116 1.674 -1.959 11.635 1.00 0.00 O ATOM 741 CB LEU A 116 4.498 -3.253 10.156 1.00 0.00 C ATOM 742 CG LEU A 116 5.906 -2.664 10.290 1.00 0.00 C ATOM 743 CD1 LEU A 116 6.657 -3.323 11.436 1.00 0.00 C ATOM 744 CD2 LEU A 116 6.671 -2.819 8.985 1.00 0.00 C ATOM 0 H LEU A 116 4.835 -0.945 9.162 1.00 0.00 H new ATOM 0 HA LEU A 116 2.540 -2.696 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.280 -3.836 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.492 -3.946 9.315 1.00 0.00 H new ATOM 0 HG LEU A 116 5.816 -1.601 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.654 -2.890 11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.116 -3.158 12.368 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.740 -4.394 11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.669 -2.396 9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.751 -3.877 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.142 -2.296 8.189 1.00 0.00 H new ATOM 922 N TYR A 126 -1.985 -5.979 8.982 1.00 0.00 N ATOM 923 CA TYR A 126 -2.395 -5.575 7.642 1.00 0.00 C ATOM 924 C TYR A 126 -2.089 -4.100 7.405 1.00 0.00 C ATOM 925 O TYR A 126 -2.425 -3.248 8.227 1.00 0.00 O ATOM 926 CB TYR A 126 -3.890 -5.840 7.442 1.00 0.00 C ATOM 927 CG TYR A 126 -4.185 -6.924 6.430 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.880 -6.747 5.085 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.769 -8.123 6.818 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.150 -7.736 4.158 1.00 0.00 C ATOM 931 CE2 TYR A 126 -5.040 -9.116 5.896 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.730 -8.918 4.568 1.00 0.00 C ATOM 933 OH TYR A 126 -4.999 -9.904 3.647 1.00 0.00 O ATOM 0 HA TYR A 126 -1.831 -6.165 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.332 -6.118 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -4.374 -4.917 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.425 -5.823 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -5.015 -8.282 7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -3.908 -7.584 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -5.493 -10.043 6.215 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.406 -10.672 4.099 1.00 0.00 H new ATOM 943 N VAL A 127 -1.450 -3.802 6.277 1.00 0.00 N ATOM 944 CA VAL A 127 -1.102 -2.430 5.940 1.00 0.00 C ATOM 945 C VAL A 127 -2.075 -1.864 4.914 1.00 0.00 C ATOM 946 O VAL A 127 -2.227 -2.409 3.823 1.00 0.00 O ATOM 947 CB VAL A 127 0.329 -2.345 5.381 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.683 -0.914 5.006 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.327 -2.912 6.381 1.00 0.00 C ATOM 0 H VAL A 127 -1.164 -4.493 5.583 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.161 -1.843 6.856 1.00 0.00 H new ATOM 0 HB VAL A 127 0.378 -2.947 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.699 -0.882 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.011 -0.555 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.615 -0.279 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.334 -2.844 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.275 -2.343 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.087 -3.956 6.582 1.00 0.00 H new ATOM 959 N SER A 128 -2.733 -0.769 5.270 1.00 0.00 N ATOM 960 CA SER A 128 -3.693 -0.143 4.373 1.00 0.00 C ATOM 961 C SER A 128 -2.989 0.597 3.239 1.00 0.00 C ATOM 962 O SER A 128 -2.141 1.461 3.473 1.00 0.00 O ATOM 963 CB SER A 128 -4.594 0.822 5.147 1.00 0.00 C ATOM 964 OG SER A 128 -5.327 1.655 4.266 1.00 0.00 O ATOM 0 H SER A 128 -2.620 -0.299 6.168 1.00 0.00 H new ATOM 0 HA SER A 128 -4.306 -0.932 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.283 0.257 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 128 -3.987 1.436 5.812 1.00 0.00 H new ATOM 0 HG SER A 128 -5.896 2.261 4.786 1.00 0.00 H new ATOM 970 N VAL A 129 -3.353 0.254 2.007 1.00 0.00 N ATOM 971 CA VAL A 129 -2.763 0.886 0.836 1.00 0.00 C ATOM 972 C VAL A 129 -3.003 2.393 0.853 1.00 0.00 C ATOM 973 O VAL A 129 -2.176 3.170 0.378 1.00 0.00 O ATOM 974 CB VAL A 129 -3.323 0.287 -0.473 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.740 0.780 -0.739 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.404 0.614 -1.643 1.00 0.00 C ATOM 0 H VAL A 129 -4.053 -0.457 1.796 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.691 0.694 0.873 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.365 -0.796 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.109 0.343 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.389 0.484 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.737 1.866 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.813 0.185 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.326 1.696 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.415 0.196 -1.457 1.00 0.00 H new ATOM 986 N LYS A 130 -4.142 2.795 1.412 1.00 0.00 N ATOM 987 CA LYS A 130 -4.494 4.209 1.500 1.00 0.00 C ATOM 988 C LYS A 130 -3.390 4.994 2.199 1.00 0.00 C ATOM 989 O LYS A 130 -3.207 6.185 1.950 1.00 0.00 O ATOM 990 CB LYS A 130 -5.815 4.381 2.253 1.00 0.00 C ATOM 991 CG LYS A 130 -6.680 5.509 1.713 1.00 0.00 C ATOM 992 CD LYS A 130 -8.149 5.116 1.671 1.00 0.00 C ATOM 993 CE LYS A 130 -8.675 4.773 3.056 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.497 3.531 3.047 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.836 2.162 1.810 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.610 4.597 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.376 3.448 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.602 4.569 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.557 6.394 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.346 5.777 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.734 5.935 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.279 4.260 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.837 4.649 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.274 5.602 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.836 3.332 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.311 3.658 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.918 2.734 2.713 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.650 4.313 3.070 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.560 4.935 3.799 1.00 0.00 C ATOM 1010 C LEU A 131 -0.323 5.035 2.912 1.00 0.00 C ATOM 1011 O LEU A 131 0.367 6.055 2.906 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.255 4.133 5.068 1.00 0.00 C ATOM 1013 CG LEU A 131 0.205 4.145 5.506 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.658 5.565 5.803 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.411 3.245 6.715 1.00 0.00 C ATOM 0 H LEU A 131 -2.790 3.326 3.285 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.855 5.943 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.865 4.524 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.562 3.099 4.908 1.00 0.00 H new ATOM 0 HG LEU A 131 0.814 3.756 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.703 5.556 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.552 6.176 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.045 5.983 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.460 3.268 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.207 3.598 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.128 2.224 6.461 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.051 3.973 2.162 1.00 0.00 N ATOM 1028 CA LEU A 132 1.102 3.947 1.270 1.00 0.00 C ATOM 1029 C LEU A 132 1.038 5.092 0.267 1.00 0.00 C ATOM 1030 O LEU A 132 2.067 5.595 -0.185 1.00 0.00 O ATOM 1031 CB LEU A 132 1.171 2.611 0.529 1.00 0.00 C ATOM 1032 CG LEU A 132 1.873 1.487 1.287 1.00 0.00 C ATOM 1033 CD1 LEU A 132 1.304 1.354 2.692 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.740 0.175 0.529 1.00 0.00 C ATOM 0 H LEU A 132 -0.612 3.121 2.154 1.00 0.00 H new ATOM 0 HA LEU A 132 2.000 4.066 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.156 2.291 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.685 2.765 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 132 2.932 1.733 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.816 0.548 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.448 2.289 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.239 1.129 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 132 2.245 -0.617 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.685 -0.076 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.194 0.277 -0.457 1.00 0.00 H new ATOM 1046 N THR A 133 -0.178 5.505 -0.072 1.00 0.00 N ATOM 1047 CA THR A 133 -0.378 6.594 -1.014 1.00 0.00 C ATOM 1048 C THR A 133 0.104 7.904 -0.412 1.00 0.00 C ATOM 1049 O THR A 133 0.774 8.700 -1.071 1.00 0.00 O ATOM 1050 CB THR A 133 -1.853 6.699 -1.392 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.666 5.997 -0.465 1.00 0.00 O ATOM 1052 CG2 THR A 133 -2.140 6.151 -2.768 1.00 0.00 C ATOM 0 H THR A 133 -1.040 5.100 0.293 1.00 0.00 H new ATOM 0 HA THR A 133 0.201 6.389 -1.915 1.00 0.00 H new ATOM 0 HB THR A 133 -2.086 7.764 -1.379 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.602 6.424 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 133 -3.204 6.251 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.565 6.707 -3.508 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.859 5.098 -2.806 1.00 0.00 H new ATOM 1060 N SER A 134 -0.229 8.106 0.854 1.00 0.00 N ATOM 1061 CA SER A 134 0.179 9.304 1.573 1.00 0.00 C ATOM 1062 C SER A 134 1.474 9.047 2.339 1.00 0.00 C ATOM 1063 O SER A 134 1.775 9.726 3.320 1.00 0.00 O ATOM 1064 CB SER A 134 -0.922 9.748 2.539 1.00 0.00 C ATOM 1065 OG SER A 134 -0.474 10.801 3.374 1.00 0.00 O ATOM 0 H SER A 134 -0.783 7.452 1.407 1.00 0.00 H new ATOM 0 HA SER A 134 0.351 10.100 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.796 10.074 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.236 8.902 3.151 1.00 0.00 H new ATOM 0 HG SER A 134 0.478 10.678 3.574 1.00 0.00 H new ATOM 1071 N PHE A 135 2.235 8.054 1.881 1.00 0.00 N ATOM 1072 CA PHE A 135 3.498 7.693 2.513 1.00 0.00 C ATOM 1073 C PHE A 135 4.632 8.580 2.001 1.00 0.00 C ATOM 1074 O PHE A 135 4.996 8.522 0.828 1.00 0.00 O ATOM 1075 CB PHE A 135 3.808 6.215 2.256 1.00 0.00 C ATOM 1076 CG PHE A 135 5.147 5.763 2.773 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.750 6.404 3.845 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.800 4.691 2.185 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.979 5.985 4.318 1.00 0.00 C ATOM 1080 CE2 PHE A 135 7.028 4.268 2.655 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.618 4.916 3.721 1.00 0.00 C ATOM 0 H PHE A 135 1.995 7.484 1.070 1.00 0.00 H new ATOM 0 HA PHE A 135 3.408 7.850 3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.030 5.607 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.764 6.028 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.254 7.240 4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.343 4.181 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.439 6.493 5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.526 3.431 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.579 4.587 4.088 1.00 0.00 H new ATOM 1091 N LYS A 136 5.166 9.414 2.890 1.00 0.00 N ATOM 1092 CA LYS A 136 6.247 10.345 2.556 1.00 0.00 C ATOM 1093 C LYS A 136 7.265 9.754 1.575 1.00 0.00 C ATOM 1094 O LYS A 136 7.867 10.484 0.788 1.00 0.00 O ATOM 1095 CB LYS A 136 6.966 10.790 3.831 1.00 0.00 C ATOM 1096 CG LYS A 136 7.478 9.635 4.677 1.00 0.00 C ATOM 1097 CD LYS A 136 6.665 9.470 5.951 1.00 0.00 C ATOM 1098 CE LYS A 136 7.195 10.354 7.068 1.00 0.00 C ATOM 1099 NZ LYS A 136 6.242 10.440 8.210 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.863 9.465 3.863 1.00 0.00 H new ATOM 0 HA LYS A 136 5.783 11.199 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.805 11.431 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.285 11.394 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.438 8.713 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.524 9.806 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.622 9.718 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.690 8.427 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.149 9.961 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.387 11.354 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.641 11.052 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 5.340 10.839 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.079 9.489 8.598 1.00 0.00 H new ATOM 1113 N LYS A 137 7.463 8.439 1.621 1.00 0.00 N ATOM 1114 CA LYS A 137 8.416 7.787 0.730 1.00 0.00 C ATOM 1115 C LYS A 137 7.793 7.543 -0.637 1.00 0.00 C ATOM 1116 O LYS A 137 8.448 7.699 -1.668 1.00 0.00 O ATOM 1117 CB LYS A 137 8.895 6.466 1.332 1.00 0.00 C ATOM 1118 CG LYS A 137 10.304 6.081 0.911 1.00 0.00 C ATOM 1119 CD LYS A 137 10.969 5.183 1.945 1.00 0.00 C ATOM 1120 CE LYS A 137 12.332 5.719 2.356 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.442 4.988 1.683 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.980 7.809 2.261 1.00 0.00 H new ATOM 0 HA LYS A 137 9.274 8.448 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.856 6.536 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.208 5.672 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.270 5.568 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.902 6.981 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.329 5.102 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.080 4.178 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.394 6.779 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.444 5.635 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.355 5.360 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.378 3.975 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.369 5.118 0.654 1.00 0.00 H new ATOM 1135 N VAL A 138 6.520 7.168 -0.638 1.00 0.00 N ATOM 1136 CA VAL A 138 5.803 6.914 -1.876 1.00 0.00 C ATOM 1137 C VAL A 138 5.377 8.233 -2.518 1.00 0.00 C ATOM 1138 O VAL A 138 5.335 8.358 -3.742 1.00 0.00 O ATOM 1139 CB VAL A 138 4.567 6.013 -1.633 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.487 6.250 -2.681 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.976 4.545 -1.608 1.00 0.00 C ATOM 0 H VAL A 138 5.964 7.034 0.207 1.00 0.00 H new ATOM 0 HA VAL A 138 6.475 6.388 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 138 4.148 6.278 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.635 5.601 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.167 7.291 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.886 6.028 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.096 3.925 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.428 4.277 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.697 4.382 -0.807 1.00 0.00 H new ATOM 1151 N LYS A 139 5.062 9.213 -1.679 1.00 0.00 N ATOM 1152 CA LYS A 139 4.643 10.526 -2.152 1.00 0.00 C ATOM 1153 C LYS A 139 5.745 11.187 -2.970 1.00 0.00 C ATOM 1154 O LYS A 139 5.474 11.890 -3.943 1.00 0.00 O ATOM 1155 CB LYS A 139 4.278 11.424 -0.974 1.00 0.00 C ATOM 1156 CG LYS A 139 3.213 10.838 -0.061 1.00 0.00 C ATOM 1157 CD LYS A 139 3.250 11.477 1.320 1.00 0.00 C ATOM 1158 CE LYS A 139 1.998 12.296 1.592 1.00 0.00 C ATOM 1159 NZ LYS A 139 2.179 13.222 2.743 1.00 0.00 N1+ ATOM 0 H LYS A 139 5.089 9.122 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 139 3.768 10.388 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.176 11.622 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.928 12.383 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.229 10.987 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 139 3.362 9.762 0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.349 10.700 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.129 12.117 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.739 12.870 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 139 1.162 11.626 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 1.303 13.762 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.401 12.673 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 2.960 13.879 2.541 1.00 0.00 H new ATOM 1173 N HIS A 140 6.994 10.954 -2.571 1.00 0.00 N ATOM 1174 CA HIS A 140 8.140 11.524 -3.271 1.00 0.00 C ATOM 1175 C HIS A 140 8.103 11.154 -4.750 1.00 0.00 C ATOM 1176 O HIS A 140 8.721 11.816 -5.584 1.00 0.00 O ATOM 1177 CB HIS A 140 9.445 11.034 -2.638 1.00 0.00 C ATOM 1178 CG HIS A 140 10.250 12.127 -2.005 1.00 0.00 C ATOM 1179 ND1 HIS A 140 11.591 12.317 -2.259 1.00 0.00 N ATOM 1180 CD2 HIS A 140 9.895 13.092 -1.124 1.00 0.00 C ATOM 1181 CE1 HIS A 140 12.027 13.351 -1.561 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.018 13.839 -0.864 1.00 0.00 N ATOM 0 H HIS A 140 7.236 10.375 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 140 8.092 12.609 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.214 10.281 -1.884 1.00 0.00 H new ATOM 0 HB3 HIS A 140 10.049 10.545 -3.402 1.00 0.00 H new ATOM 0 HD2 HIS A 140 8.912 13.246 -0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 140 13.038 13.732 -1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.065 14.640 -0.235 1.00 0.00 H new ATOM 1191 N LEU A 141 7.369 10.092 -5.066 1.00 0.00 N ATOM 1192 CA LEU A 141 7.241 9.628 -6.440 1.00 0.00 C ATOM 1193 C LEU A 141 6.481 10.643 -7.288 1.00 0.00 C ATOM 1194 O LEU A 141 7.061 11.327 -8.130 1.00 0.00 O ATOM 1195 CB LEU A 141 6.522 8.279 -6.474 1.00 0.00 C ATOM 1196 CG LEU A 141 7.083 7.221 -5.525 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.102 6.068 -5.379 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.431 6.722 -6.019 1.00 0.00 C ATOM 0 H LEU A 141 6.852 9.535 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 141 8.242 9.512 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.471 8.439 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.561 7.890 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 141 7.227 7.675 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.515 5.322 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.159 6.441 -4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.927 5.613 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.815 5.969 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.315 6.282 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.131 7.556 -6.072 1.00 0.00 H new ATOM 1210 N THR A 142 5.174 10.727 -7.058 1.00 0.00 N ATOM 1211 CA THR A 142 4.316 11.649 -7.795 1.00 0.00 C ATOM 1212 C THR A 142 2.929 11.687 -7.168 1.00 0.00 C ATOM 1213 O THR A 142 2.687 11.061 -6.137 1.00 0.00 O ATOM 1214 CB THR A 142 4.198 11.219 -9.263 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.310 10.434 -9.655 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.101 12.385 -10.222 1.00 0.00 C ATOM 0 H THR A 142 4.684 10.164 -6.363 1.00 0.00 H new ATOM 0 HA THR A 142 4.764 12.642 -7.750 1.00 0.00 H new ATOM 0 HB THR A 142 3.274 10.644 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 142 6.132 10.957 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.020 12.011 -11.243 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.220 12.981 -9.983 1.00 0.00 H new ATOM 0 HG23 THR A 142 4.993 13.005 -10.133 1.00 0.00 H new ATOM 1224 N ARG A 143 2.013 12.401 -7.810 1.00 0.00 N ATOM 1225 CA ARG A 143 0.643 12.486 -7.325 1.00 0.00 C ATOM 1226 C ARG A 143 -0.127 11.220 -7.698 1.00 0.00 C ATOM 1227 O ARG A 143 -1.317 11.093 -7.411 1.00 0.00 O ATOM 1228 CB ARG A 143 -0.051 13.718 -7.908 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.278 13.639 -9.409 1.00 0.00 C ATOM 1230 CD ARG A 143 -0.624 15.001 -9.991 1.00 0.00 C ATOM 1231 NE ARG A 143 0.310 16.036 -9.554 1.00 0.00 N ATOM 1232 CZ ARG A 143 0.047 17.340 -9.602 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -1.117 17.774 -10.067 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 0.953 18.214 -9.183 1.00 0.00 N ATOM 0 H ARG A 143 2.194 12.928 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 143 0.662 12.578 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -1.012 13.852 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.549 14.601 -7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 143 0.618 13.252 -9.894 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -1.084 12.936 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -0.617 14.943 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -1.636 15.276 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 143 1.217 15.742 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -1.818 17.107 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -1.312 18.775 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 143 1.850 17.886 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 143 0.753 19.213 -9.219 1.00 0.00 H new ATOM 1248 N ASP A 144 0.569 10.288 -8.350 1.00 0.00 N ATOM 1249 CA ASP A 144 -0.019 9.029 -8.780 1.00 0.00 C ATOM 1250 C ASP A 144 -0.358 8.129 -7.594 1.00 0.00 C ATOM 1251 O ASP A 144 0.142 7.008 -7.489 1.00 0.00 O ATOM 1252 CB ASP A 144 0.950 8.310 -9.725 1.00 0.00 C ATOM 1253 CG ASP A 144 0.700 8.652 -11.181 1.00 0.00 C ATOM 1254 OD1 ASP A 144 0.012 9.661 -11.444 1.00 0.00 O ATOM 1255 OD2 ASP A 144 1.192 7.910 -12.056 1.00 0.00 O1- ATOM 0 H ASP A 144 1.555 10.389 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.951 9.250 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.974 8.577 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.856 7.233 -9.586 1.00 0.00 H new ATOM 1260 N TRP A 145 -1.224 8.616 -6.712 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.642 7.848 -5.553 1.00 0.00 C ATOM 1262 C TRP A 145 -2.662 6.805 -5.984 1.00 0.00 C ATOM 1263 O TRP A 145 -2.647 5.667 -5.515 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.206 8.788 -4.487 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.131 9.568 -3.791 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.217 9.375 -3.904 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.303 10.661 -2.882 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.893 10.278 -3.126 1.00 0.00 N ATOM 1269 CE2 TRP A 145 -0.018 11.082 -2.486 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.419 11.328 -2.365 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.180 12.136 -1.599 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -2.220 12.374 -1.485 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.929 12.770 -1.109 1.00 0.00 C ATOM 0 H TRP A 145 -1.649 9.541 -6.781 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.789 7.328 -5.117 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.911 9.478 -4.950 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.764 8.208 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.683 8.619 -4.519 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.907 10.342 -3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.418 11.031 -2.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.174 12.443 -1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -3.074 12.896 -1.080 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.807 13.592 -0.419 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.514 7.196 -6.923 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.516 6.293 -7.481 1.00 0.00 C ATOM 1286 C ARG A 146 -3.824 5.084 -8.094 1.00 0.00 C ATOM 1287 O ARG A 146 -4.360 3.973 -8.102 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.330 7.013 -8.563 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.477 7.808 -9.542 1.00 0.00 C ATOM 1290 CD ARG A 146 -5.131 9.130 -9.909 1.00 0.00 C ATOM 1291 NE ARG A 146 -4.172 10.078 -10.469 1.00 0.00 N ATOM 1292 CZ ARG A 146 -4.366 11.395 -10.511 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -5.484 11.924 -10.028 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -3.440 12.184 -11.036 1.00 0.00 N ATOM 0 H ARG A 146 -3.532 8.137 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.186 5.971 -6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.913 6.277 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.040 7.686 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.497 7.996 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.314 7.219 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -5.928 8.952 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -5.594 9.564 -9.023 1.00 0.00 H new ATOM 0 HE ARG A 146 -3.301 9.709 -10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -6.200 11.321 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -5.627 12.933 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -2.579 11.783 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -3.588 13.193 -11.068 1.00 0.00 H new ATOM 1308 N THR A 147 -2.620 5.321 -8.603 1.00 0.00 N ATOM 1309 CA THR A 147 -1.826 4.273 -9.222 1.00 0.00 C ATOM 1310 C THR A 147 -1.207 3.379 -8.159 1.00 0.00 C ATOM 1311 O THR A 147 -0.958 2.200 -8.397 1.00 0.00 O ATOM 1312 CB THR A 147 -0.749 4.881 -10.129 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.475 5.034 -9.433 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.129 6.236 -10.692 1.00 0.00 C ATOM 0 H THR A 147 -2.172 6.238 -8.597 1.00 0.00 H new ATOM 0 HA THR A 147 -2.479 3.658 -9.841 1.00 0.00 H new ATOM 0 HB THR A 147 -0.646 4.178 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.340 5.617 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.322 6.607 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 147 -2.039 6.142 -11.284 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.299 6.935 -9.873 1.00 0.00 H new ATOM 1322 N THR A 148 -0.982 3.942 -6.979 1.00 0.00 N ATOM 1323 CA THR A 148 -0.415 3.184 -5.873 1.00 0.00 C ATOM 1324 C THR A 148 -1.342 2.036 -5.487 1.00 0.00 C ATOM 1325 O THR A 148 -0.893 0.980 -5.039 1.00 0.00 O ATOM 1326 CB THR A 148 -0.187 4.098 -4.666 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.708 5.147 -4.989 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.369 3.373 -3.458 1.00 0.00 C ATOM 0 H THR A 148 -1.183 4.919 -6.764 1.00 0.00 H new ATOM 0 HA THR A 148 0.543 2.772 -6.191 1.00 0.00 H new ATOM 0 HB THR A 148 -1.173 4.487 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.377 5.628 -5.776 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.506 4.080 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.327 2.593 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.329 2.923 -3.713 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.641 2.256 -5.664 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.640 1.253 -5.333 1.00 0.00 C ATOM 1338 C ALA A 149 -3.679 0.139 -6.376 1.00 0.00 C ATOM 1339 O ALA A 149 -3.594 -1.042 -6.037 1.00 0.00 O ATOM 1340 CB ALA A 149 -5.006 1.906 -5.191 1.00 0.00 C ATOM 0 H ALA A 149 -3.025 3.125 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.364 0.799 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.748 1.147 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.972 2.653 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.279 2.387 -6.130 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.809 0.516 -7.645 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.858 -0.465 -8.725 1.00 0.00 C ATOM 1348 C HIS A 150 -2.488 -1.089 -8.959 1.00 0.00 C ATOM 1349 O HIS A 150 -2.377 -2.291 -9.192 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.360 0.178 -10.015 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.789 -0.142 -10.327 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.776 -0.189 -9.366 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.396 -0.433 -11.502 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.929 -0.494 -9.936 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.725 -0.647 -11.232 1.00 0.00 N ATOM 0 H HIS A 150 -3.882 1.487 -7.949 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.552 -1.251 -8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.246 1.259 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.733 -0.152 -10.843 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.923 -0.487 -12.471 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.876 -0.600 -9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.439 -0.885 -11.920 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.444 -0.271 -8.895 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.086 -0.765 -9.104 1.00 0.00 C ATOM 1366 C ALA A 151 0.181 -1.985 -8.232 1.00 0.00 C ATOM 1367 O ALA A 151 0.702 -2.997 -8.701 1.00 0.00 O ATOM 1368 CB ALA A 151 0.933 0.323 -8.809 1.00 0.00 C ATOM 0 H ALA A 151 -1.509 0.728 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 151 0.011 -1.056 -10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.938 -0.066 -8.971 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.761 1.172 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.831 0.645 -7.773 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.191 -1.884 -6.961 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.008 -2.976 -6.024 1.00 0.00 C ATOM 1376 C LEU A 152 -0.905 -4.144 -6.382 1.00 0.00 C ATOM 1377 O LEU A 152 -0.518 -5.304 -6.255 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.311 -2.485 -4.616 1.00 0.00 C ATOM 1379 CG LEU A 152 0.904 -2.005 -3.831 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.959 -1.409 -4.759 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.483 -0.992 -2.781 1.00 0.00 C ATOM 0 H LEU A 152 -0.622 -1.052 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 152 1.025 -3.319 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.031 -1.669 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.790 -3.291 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 152 1.348 -2.866 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.814 -1.075 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.283 -2.165 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.534 -0.561 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.360 -0.657 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.013 -0.138 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.226 -1.454 -2.094 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.100 -3.826 -6.850 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.055 -4.850 -7.260 1.00 0.00 C ATOM 1395 C LYS A 153 -2.398 -5.790 -8.273 1.00 0.00 C ATOM 1396 O LYS A 153 -2.777 -6.955 -8.393 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.319 -4.198 -7.847 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.011 -5.018 -8.930 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.517 -4.814 -8.903 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.156 -5.535 -7.727 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.638 -5.602 -7.854 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.435 -2.869 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.355 -5.434 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.027 -4.017 -7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.052 -3.226 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.621 -4.735 -9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.783 -6.075 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.740 -3.749 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.951 -5.178 -9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.752 -6.545 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.894 -5.022 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.035 -6.101 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -9.027 -4.638 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.889 -6.113 -8.724 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.395 -5.274 -8.983 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.661 -6.064 -9.967 1.00 0.00 C ATOM 1417 C TYR A 154 0.666 -6.547 -9.382 1.00 0.00 C ATOM 1418 O TYR A 154 1.562 -6.974 -10.110 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.402 -5.241 -11.230 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.652 -4.638 -11.832 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.536 -5.415 -12.569 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.944 -3.292 -11.663 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.677 -4.866 -13.121 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.083 -2.735 -12.211 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.947 -3.525 -12.940 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.083 -2.975 -13.488 1.00 0.00 O ATOM 0 H TYR A 154 -1.073 -4.310 -8.894 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.268 -6.930 -10.229 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.299 -4.440 -10.994 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.079 -5.876 -11.974 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.328 -6.465 -12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.270 -2.670 -11.094 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.355 -5.484 -13.692 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.296 -1.686 -12.069 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.785 -3.657 -13.538 1.00 0.00 H new ATOM 1436 N SER A 155 0.777 -6.475 -8.058 1.00 0.00 N ATOM 1437 CA SER A 155 1.970 -6.896 -7.352 1.00 0.00 C ATOM 1438 C SER A 155 1.647 -8.077 -6.458 1.00 0.00 C ATOM 1439 O SER A 155 1.080 -7.916 -5.377 1.00 0.00 O ATOM 1440 CB SER A 155 2.513 -5.747 -6.509 1.00 0.00 C ATOM 1441 OG SER A 155 3.680 -6.139 -5.806 1.00 0.00 O ATOM 0 H SER A 155 0.038 -6.122 -7.450 1.00 0.00 H new ATOM 0 HA SER A 155 2.726 -7.190 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.740 -4.896 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.751 -5.419 -5.802 1.00 0.00 H new ATOM 0 HG SER A 155 3.557 -5.970 -4.849 1.00 0.00 H new ATOM 1447 N VAL A 156 1.995 -9.263 -6.918 1.00 0.00 N ATOM 1448 CA VAL A 156 1.727 -10.470 -6.165 1.00 0.00 C ATOM 1449 C VAL A 156 2.931 -10.885 -5.324 1.00 0.00 C ATOM 1450 O VAL A 156 2.919 -11.937 -4.685 1.00 0.00 O ATOM 1451 CB VAL A 156 1.311 -11.607 -7.110 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.484 -12.060 -7.968 1.00 0.00 C ATOM 1453 CG2 VAL A 156 0.725 -12.771 -6.328 1.00 0.00 C ATOM 0 H VAL A 156 2.464 -9.415 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 156 0.904 -10.261 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 156 0.538 -11.226 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.162 -12.866 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 156 2.842 -11.222 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.289 -12.417 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.437 -13.565 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.469 -13.151 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -0.153 -12.434 -5.777 1.00 0.00 H new ATOM 1463 N VAL A 157 3.963 -10.043 -5.312 1.00 0.00 N ATOM 1464 CA VAL A 157 5.158 -10.319 -4.530 1.00 0.00 C ATOM 1465 C VAL A 157 4.842 -10.224 -3.043 1.00 0.00 C ATOM 1466 O VAL A 157 5.365 -10.990 -2.232 1.00 0.00 O ATOM 1467 CB VAL A 157 6.297 -9.340 -4.869 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.566 -9.710 -4.115 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.549 -9.314 -6.370 1.00 0.00 C ATOM 0 H VAL A 157 3.992 -9.168 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 157 5.487 -11.328 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 157 5.996 -8.340 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.358 -9.006 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.376 -9.672 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 157 7.874 -10.718 -4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.357 -8.617 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.827 -10.312 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.643 -8.995 -6.886 1.00 0.00 H new ATOM 1479 N LEU A 158 3.966 -9.285 -2.697 1.00 0.00 N ATOM 1480 CA LEU A 158 3.554 -9.088 -1.317 1.00 0.00 C ATOM 1481 C LEU A 158 2.114 -9.557 -1.150 1.00 0.00 C ATOM 1482 O LEU A 158 1.427 -9.820 -2.137 1.00 0.00 O ATOM 1483 CB LEU A 158 3.657 -7.606 -0.927 1.00 0.00 C ATOM 1484 CG LEU A 158 5.069 -7.005 -0.928 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.867 -7.491 0.272 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.798 -7.328 -2.224 1.00 0.00 C ATOM 0 H LEU A 158 3.527 -8.647 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 158 4.212 -9.666 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.037 -7.027 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.232 -7.483 0.069 1.00 0.00 H new ATOM 0 HG LEU A 158 4.971 -5.922 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.864 -7.051 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.361 -7.194 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.949 -8.577 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.796 -6.891 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.878 -8.409 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.242 -6.916 -3.066 1.00 0.00 H new ATOM 1498 N GLU A 159 1.649 -9.644 0.086 1.00 0.00 N ATOM 1499 CA GLU A 159 0.279 -10.061 0.338 1.00 0.00 C ATOM 1500 C GLU A 159 -0.593 -8.829 0.545 1.00 0.00 C ATOM 1501 O GLU A 159 -0.459 -8.124 1.534 1.00 0.00 O ATOM 1502 CB GLU A 159 0.217 -10.991 1.558 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.151 -11.058 2.220 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.228 -11.569 1.283 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.472 -10.918 0.246 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 -2.827 -12.622 1.587 1.00 0.00 O ATOM 0 H GLU A 159 2.193 -9.434 0.923 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.095 -10.617 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.510 -11.995 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.949 -10.657 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.096 -11.708 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.426 -10.066 2.578 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.470 -8.569 -0.412 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.356 -7.413 -0.361 1.00 0.00 C ATOM 1515 C LEU A 160 -3.724 -7.800 0.186 1.00 0.00 C ATOM 1516 O LEU A 160 -4.170 -8.928 -0.025 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.541 -6.868 -1.782 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.524 -5.840 -2.274 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.148 -4.451 -2.342 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.267 -5.856 -1.414 1.00 0.00 C ATOM 0 H LEU A 160 -1.589 -9.149 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.911 -6.663 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.529 -7.712 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.532 -6.419 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.224 -6.114 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.405 -3.735 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.994 -4.465 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.492 -4.158 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.439 -5.114 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.529 -5.620 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.190 -6.845 -1.456 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.431 -6.864 0.834 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.775 -7.197 1.305 1.00 0.00 C ATOM 1534 C ASN A 161 -6.586 -7.446 0.066 1.00 0.00 C ATOM 1535 O ASN A 161 -6.222 -6.892 -0.970 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.420 -6.073 2.121 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.911 -6.279 2.326 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.330 -7.018 3.216 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.717 -5.624 1.500 1.00 0.00 N ATOM 0 H ASN A 161 -4.112 -5.916 1.035 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.729 -8.059 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.930 -6.007 3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.255 -5.122 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.728 -5.723 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.325 -5.022 0.776 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.648 -8.259 0.217 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.554 -8.715 -0.849 1.00 0.00 C ATOM 1548 C GLU A 162 -8.849 -7.719 -1.956 1.00 0.00 C ATOM 1549 O GLU A 162 -8.669 -8.037 -3.132 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.873 -9.141 -0.214 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.731 -9.969 -1.142 1.00 0.00 C ATOM 1552 CD GLU A 162 -12.173 -9.504 -1.182 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.454 -8.494 -1.861 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -13.023 -10.151 -0.534 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.908 -8.632 1.130 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.026 -9.533 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.667 -9.714 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -10.428 -8.253 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.313 -9.929 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.699 -11.011 -0.825 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.269 -6.526 -1.614 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.540 -5.525 -2.636 1.00 0.00 C ATOM 1563 C ASP A 163 -8.227 -4.856 -2.971 1.00 0.00 C ATOM 1564 O ASP A 163 -8.176 -3.678 -3.327 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.557 -4.497 -2.140 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.973 -5.041 -2.133 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.363 -5.668 -1.125 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -12.691 -4.840 -3.134 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.431 -6.220 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.969 -5.995 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.287 -4.180 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.514 -3.612 -2.775 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.155 -5.625 -2.770 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.806 -5.155 -2.949 1.00 0.00 C ATOM 1575 C HIS A 164 -5.689 -3.771 -2.374 1.00 0.00 C ATOM 1576 O HIS A 164 -4.924 -2.926 -2.839 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.360 -5.252 -4.396 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.271 -6.678 -4.832 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.045 -7.069 -6.133 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.382 -7.822 -4.106 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.021 -8.390 -6.195 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.222 -8.870 -4.979 1.00 0.00 N ATOM 0 H HIS A 164 -7.214 -6.600 -2.475 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.117 -5.801 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.062 -4.716 -5.034 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.390 -4.770 -4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.562 -7.893 -3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.864 -8.977 -7.088 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.253 -9.859 -4.730 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.469 -3.581 -1.317 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.499 -2.349 -0.600 1.00 0.00 C ATOM 1593 C ARG A 165 -5.460 -2.388 0.488 1.00 0.00 C ATOM 1594 O ARG A 165 -5.129 -1.346 1.053 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.885 -2.101 -0.002 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.929 -1.685 -1.027 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.461 -0.499 -1.856 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.471 0.555 -1.923 1.00 0.00 N ATOM 1599 CZ ARG A 165 -10.651 0.413 -2.521 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -10.975 -0.736 -3.103 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.512 1.421 -2.536 1.00 0.00 N ATOM 0 H ARG A 165 -7.097 -4.294 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.280 -1.531 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.222 -3.008 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.808 -1.326 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.148 -2.526 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -9.858 -1.429 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.544 -0.096 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.220 -0.834 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 165 -9.259 1.452 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -10.318 -1.516 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -11.881 -0.839 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.270 2.305 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -12.417 1.312 -2.994 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.912 -3.578 0.793 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.882 -3.597 1.844 1.00 0.00 C ATOM 1617 C LYS A 166 -2.632 -4.327 1.413 1.00 0.00 C ATOM 1618 O LYS A 166 -2.537 -4.808 0.290 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.408 -4.187 3.153 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.734 -3.591 3.604 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.256 -4.271 4.859 1.00 0.00 C ATOM 1622 CE LYS A 166 -7.776 -4.321 4.874 1.00 0.00 C ATOM 1623 NZ LYS A 166 -8.285 -5.539 5.562 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.142 -4.475 0.365 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.619 -2.554 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.526 -5.264 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.665 -4.032 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.609 -2.525 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.468 -3.689 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -5.857 -5.284 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.900 -3.736 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -8.163 -3.433 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -8.150 -4.299 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.197 -5.327 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.412 -6.302 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -7.602 -5.840 6.286 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.676 -4.403 2.324 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.424 -5.079 2.061 1.00 0.00 C ATOM 1639 C VAL A 167 0.161 -5.626 3.350 1.00 0.00 C ATOM 1640 O VAL A 167 0.876 -4.942 4.081 1.00 0.00 O ATOM 1641 CB VAL A 167 0.583 -4.159 1.337 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.643 -2.783 1.985 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.968 -4.790 1.281 1.00 0.00 C ATOM 0 H VAL A 167 -1.748 -4.000 3.258 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.629 -5.915 1.392 1.00 0.00 H new ATOM 0 HB VAL A 167 0.229 -4.032 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.361 -2.160 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.342 -2.318 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.953 -2.884 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.654 -4.118 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.328 -4.968 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.915 -5.737 0.743 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.173 -6.876 3.613 1.00 0.00 N ATOM 1654 CA ARG A 168 0.288 -7.569 4.810 1.00 0.00 C ATOM 1655 C ARG A 168 1.414 -8.542 4.475 1.00 0.00 C ATOM 1656 O ARG A 168 1.612 -8.898 3.315 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.873 -8.327 5.459 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.489 -9.066 6.731 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.693 -9.741 7.366 1.00 0.00 C ATOM 1660 NE ARG A 168 -2.083 -10.952 6.648 1.00 0.00 N ATOM 1661 CZ ARG A 168 -3.098 -11.734 7.008 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -3.828 -11.436 8.077 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -3.385 -12.817 6.299 1.00 0.00 N ATOM 0 H ARG A 168 -0.769 -7.441 3.008 1.00 0.00 H new ATOM 0 HA ARG A 168 0.669 -6.824 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.673 -7.622 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.274 -9.043 4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.271 -9.814 6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.046 -8.367 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.464 -9.992 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.531 -9.045 7.384 1.00 0.00 H new ATOM 0 HE ARG A 168 -1.545 -11.214 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.612 -10.604 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -4.605 -12.039 8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -2.828 -13.051 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -4.163 -13.416 6.575 1.00 0.00 H new ATOM 1677 N ARG A 169 2.151 -8.963 5.498 1.00 0.00 N ATOM 1678 CA ARG A 169 3.257 -9.894 5.309 1.00 0.00 C ATOM 1679 C ARG A 169 2.897 -11.280 5.831 1.00 0.00 C ATOM 1680 O ARG A 169 2.147 -11.415 6.799 1.00 0.00 O ATOM 1681 CB ARG A 169 4.513 -9.381 6.016 1.00 0.00 C ATOM 1682 CG ARG A 169 4.778 -7.900 5.794 1.00 0.00 C ATOM 1683 CD ARG A 169 5.274 -7.226 7.063 1.00 0.00 C ATOM 1684 NE ARG A 169 4.177 -6.848 7.950 1.00 0.00 N ATOM 1685 CZ ARG A 169 4.329 -6.572 9.243 1.00 0.00 C ATOM 1686 NH1 ARG A 169 5.530 -6.628 9.804 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 3.276 -6.237 9.977 1.00 0.00 N ATOM 0 H ARG A 169 2.002 -8.674 6.465 1.00 0.00 H new ATOM 0 HA ARG A 169 3.456 -9.968 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.419 -9.568 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.374 -9.951 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.517 -7.776 5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.864 -7.413 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 169 5.950 -7.899 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 169 5.849 -6.338 6.800 1.00 0.00 H new ATOM 0 HE ARG A 169 3.238 -6.792 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 169 6.343 -6.884 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 169 5.640 -6.415 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 169 2.351 -6.191 9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 169 3.392 -6.025 10.968 1.00 0.00 H new ATOM 1701 N THR A 170 3.440 -12.309 5.190 1.00 0.00 N ATOM 1702 CA THR A 170 3.180 -13.686 5.593 1.00 0.00 C ATOM 1703 C THR A 170 4.417 -14.301 6.242 1.00 0.00 C ATOM 1704 O THR A 170 4.311 -15.166 7.111 1.00 0.00 O ATOM 1705 CB THR A 170 2.754 -14.522 4.385 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.745 -14.487 3.375 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.451 -14.061 3.769 1.00 0.00 C ATOM 0 H THR A 170 4.064 -12.215 4.388 1.00 0.00 H new ATOM 0 HA THR A 170 2.371 -13.680 6.323 1.00 0.00 H new ATOM 0 HB THR A 170 2.618 -15.534 4.767 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.454 -15.029 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.206 -14.696 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.655 -14.126 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.552 -13.028 3.435 1.00 0.00 H new ATOM 1715 N THR A 171 5.588 -13.845 5.812 1.00 0.00 N ATOM 1716 CA THR A 171 6.850 -14.342 6.346 1.00 0.00 C ATOM 1717 C THR A 171 7.738 -13.183 6.792 1.00 0.00 C ATOM 1718 O THR A 171 8.748 -12.882 6.155 1.00 0.00 O ATOM 1719 CB THR A 171 7.575 -15.177 5.291 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.870 -15.538 5.738 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.728 -14.457 3.969 1.00 0.00 C ATOM 0 H THR A 171 5.689 -13.129 5.092 1.00 0.00 H new ATOM 0 HA THR A 171 6.635 -14.969 7.211 1.00 0.00 H new ATOM 0 HB THR A 171 6.953 -16.059 5.139 1.00 0.00 H new ATOM 0 HG1 THR A 171 9.424 -14.734 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.250 -15.102 3.262 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.743 -14.208 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.301 -13.542 4.117 1.00 0.00 H new ATOM 1729 N PRO A 172 7.367 -12.509 7.893 1.00 0.00 N ATOM 1730 CA PRO A 172 8.130 -11.372 8.416 1.00 0.00 C ATOM 1731 C PRO A 172 9.479 -11.782 8.992 1.00 0.00 C ATOM 1732 O PRO A 172 9.614 -12.839 9.607 1.00 0.00 O ATOM 1733 CB PRO A 172 7.233 -10.811 9.518 1.00 0.00 C ATOM 1734 CG PRO A 172 6.386 -11.961 9.941 1.00 0.00 C ATOM 1735 CD PRO A 172 6.173 -12.795 8.709 1.00 0.00 C ATOM 0 HA PRO A 172 8.365 -10.655 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.822 -10.426 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.624 -9.985 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 172 6.877 -12.540 10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.435 -11.616 10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 172 6.095 -13.855 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 172 5.256 -12.518 8.190 1.00 0.00 H new