USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 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= -5.56 X(o=-7.1,f=-7.4!) USER MOD Set 1.2: A 166 LYS NZ :NH3+ 142:sc= -1.54 (180deg=0) USER MOD Set 2.1: A 150 HIS : no HD1:sc= -1.01 X(o=-1.5,f=-1.5) USER MOD Set 2.2: A 153 LYS NZ :NH3+ -158:sc= -0.63 (180deg=0) USER MOD Set 2.3: A 154 TYR OH : rot 152:sc= 0.135 USER MOD Set 3.1: A 134 SER OG : rot -47:sc= 1.2 USER MOD Set 3.2: A 139 LYS NZ :NH3+ 139:sc= 0.0752 (180deg=0.0285) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc=-0.00791 (180deg=-0.151) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.217 (180deg=-0.862) USER MOD Single : A 99 GLN : amide:sc= -0.817 K(o=-0.82,f=-3.6!) USER MOD Single : A 103 TYR OH : rot -107:sc= 1.49 USER MOD Single : A 105 SER OG : rot 32:sc= 0.344 USER MOD Single : A 108 ASN : amide:sc= -6.46! C(o=-6.5!,f=-4.9!) 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 55:sc= 0.823 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 140 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.2) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 147 THR OG1 : rot -58:sc= -0.567 USER MOD Single : A 148 THR OG1 : rot 46:sc= -2.04! USER MOD Single : A 155 SER OG : rot 90:sc= -3.86! USER MOD Single : A 164 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-2.5!) USER MOD Single : A 170 THR OG1 : rot 1:sc= 0.528! USER MOD Single : A 171 THR OG1 : rot 180:sc=-0.00883 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.225 4.377 -15.790 1.00 0.00 N ATOM 258 CA PRO A 87 -5.274 3.287 -15.549 1.00 0.00 C ATOM 259 C PRO A 87 -3.847 3.656 -15.957 1.00 0.00 C ATOM 260 O PRO A 87 -3.626 4.216 -17.031 1.00 0.00 O ATOM 261 CB PRO A 87 -5.805 2.159 -16.433 1.00 0.00 C ATOM 262 CG PRO A 87 -6.507 2.854 -17.548 1.00 0.00 C ATOM 263 CD PRO A 87 -7.090 4.109 -16.957 1.00 0.00 C ATOM 0 HA PRO A 87 -5.208 3.029 -14.492 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.995 1.532 -16.805 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.484 1.509 -15.881 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.816 3.089 -18.357 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.289 2.222 -17.970 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.070 4.934 -17.669 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.130 3.968 -16.662 1.00 0.00 H new ATOM 271 N PRO A 88 -2.854 3.346 -15.101 1.00 0.00 N ATOM 272 CA PRO A 88 -1.450 3.647 -15.373 1.00 0.00 C ATOM 273 C PRO A 88 -0.765 2.541 -16.174 1.00 0.00 C ATOM 274 O PRO A 88 -1.429 1.695 -16.772 1.00 0.00 O ATOM 275 CB PRO A 88 -0.861 3.738 -13.968 1.00 0.00 C ATOM 276 CG PRO A 88 -1.648 2.753 -13.169 1.00 0.00 C ATOM 277 CD PRO A 88 -3.021 2.681 -13.794 1.00 0.00 C ATOM 0 HA PRO A 88 -1.319 4.546 -15.975 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.201 3.493 -13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.956 4.745 -13.562 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.167 1.775 -13.179 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.714 3.065 -12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.353 1.649 -13.911 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.766 3.188 -13.181 1.00 0.00 H new ATOM 285 N ASP A 89 0.566 2.549 -16.176 1.00 0.00 N ATOM 286 CA ASP A 89 1.336 1.554 -16.887 1.00 0.00 C ATOM 287 C ASP A 89 2.182 0.748 -15.913 1.00 0.00 C ATOM 288 O ASP A 89 2.601 1.254 -14.872 1.00 0.00 O ATOM 289 CB ASP A 89 2.228 2.217 -17.939 1.00 0.00 C ATOM 290 CG ASP A 89 1.428 2.959 -18.991 1.00 0.00 C ATOM 291 OD1 ASP A 89 1.045 4.120 -18.735 1.00 0.00 O1- ATOM 292 OD2 ASP A 89 1.184 2.380 -20.070 1.00 0.00 O ATOM 0 H ASP A 89 1.130 3.244 -15.686 1.00 0.00 H new ATOM 0 HA ASP A 89 0.646 0.880 -17.394 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.909 2.912 -17.448 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.842 1.457 -18.422 1.00 0.00 H new ATOM 297 N GLU A 90 2.427 -0.507 -16.257 1.00 0.00 N ATOM 298 CA GLU A 90 3.218 -1.388 -15.422 1.00 0.00 C ATOM 299 C GLU A 90 4.568 -0.769 -15.077 1.00 0.00 C ATOM 300 O GLU A 90 5.196 -1.145 -14.087 1.00 0.00 O ATOM 301 CB GLU A 90 3.424 -2.718 -16.132 1.00 0.00 C ATOM 302 CG GLU A 90 4.036 -2.585 -17.517 1.00 0.00 C ATOM 303 CD GLU A 90 3.926 -3.862 -18.328 1.00 0.00 C ATOM 304 OE1 GLU A 90 4.465 -4.896 -17.883 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 3.302 -3.825 -19.409 1.00 0.00 O ATOM 0 H GLU A 90 2.085 -0.938 -17.116 1.00 0.00 H new ATOM 0 HA GLU A 90 2.676 -1.548 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.067 -3.350 -15.520 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.464 -3.227 -16.216 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.541 -1.775 -18.053 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.086 -2.309 -17.421 1.00 0.00 H new ATOM 312 N GLU A 91 5.010 0.187 -15.890 1.00 0.00 N ATOM 313 CA GLU A 91 6.283 0.855 -15.652 1.00 0.00 C ATOM 314 C GLU A 91 6.304 1.455 -14.253 1.00 0.00 C ATOM 315 O GLU A 91 7.223 1.211 -13.467 1.00 0.00 O ATOM 316 CB GLU A 91 6.510 1.953 -16.691 1.00 0.00 C ATOM 317 CG GLU A 91 6.446 1.456 -18.126 1.00 0.00 C ATOM 318 CD GLU A 91 7.554 2.023 -18.990 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.643 2.308 -18.449 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 7.334 2.183 -20.210 1.00 0.00 O ATOM 0 H GLU A 91 4.507 0.514 -16.715 1.00 0.00 H new ATOM 0 HA GLU A 91 7.083 0.120 -15.737 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.762 2.733 -16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.484 2.411 -16.517 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.506 0.368 -18.132 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.481 1.724 -18.557 1.00 0.00 H new ATOM 327 N LEU A 92 5.275 2.232 -13.950 1.00 0.00 N ATOM 328 CA LEU A 92 5.154 2.866 -12.649 1.00 0.00 C ATOM 329 C LEU A 92 4.716 1.856 -11.592 1.00 0.00 C ATOM 330 O LEU A 92 4.970 2.043 -10.402 1.00 0.00 O ATOM 331 CB LEU A 92 4.161 4.025 -12.720 1.00 0.00 C ATOM 332 CG LEU A 92 4.152 4.958 -11.507 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.450 4.301 -10.331 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.571 5.361 -11.127 1.00 0.00 C ATOM 0 H LEU A 92 4.509 2.438 -14.592 1.00 0.00 H new ATOM 0 HA LEU A 92 6.131 3.255 -12.363 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.381 4.615 -13.609 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.159 3.615 -12.849 1.00 0.00 H new ATOM 0 HG LEU A 92 3.601 5.860 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.454 4.981 -9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.421 4.069 -10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.970 3.381 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.542 6.024 -10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.149 4.470 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.039 5.878 -11.965 1.00 0.00 H new ATOM 346 N ILE A 93 4.062 0.781 -12.029 1.00 0.00 N ATOM 347 CA ILE A 93 3.603 -0.249 -11.111 1.00 0.00 C ATOM 348 C ILE A 93 4.783 -0.989 -10.493 1.00 0.00 C ATOM 349 O ILE A 93 4.815 -1.227 -9.286 1.00 0.00 O ATOM 350 CB ILE A 93 2.679 -1.257 -11.819 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.462 -0.533 -12.396 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.246 -2.357 -10.860 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.567 -1.422 -13.229 1.00 0.00 C ATOM 0 H ILE A 93 3.841 0.605 -13.009 1.00 0.00 H new ATOM 0 HA ILE A 93 3.039 0.248 -10.322 1.00 0.00 H new ATOM 0 HB ILE A 93 3.230 -1.722 -12.636 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.880 -0.110 -11.577 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.803 0.301 -13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.594 -3.058 -11.381 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.125 -2.885 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.708 -1.917 -10.020 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.275 -0.841 -13.605 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.134 -1.825 -14.068 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.196 -2.243 -12.615 1.00 0.00 H new ATOM 365 N LYS A 94 5.755 -1.344 -11.328 1.00 0.00 N ATOM 366 CA LYS A 94 6.938 -2.051 -10.857 1.00 0.00 C ATOM 367 C LYS A 94 7.730 -1.178 -9.892 1.00 0.00 C ATOM 368 O LYS A 94 8.287 -1.668 -8.908 1.00 0.00 O ATOM 369 CB LYS A 94 7.820 -2.466 -12.036 1.00 0.00 C ATOM 370 CG LYS A 94 7.100 -3.327 -13.061 1.00 0.00 C ATOM 371 CD LYS A 94 7.462 -4.796 -12.909 1.00 0.00 C ATOM 372 CE LYS A 94 6.396 -5.556 -12.136 1.00 0.00 C ATOM 373 NZ LYS A 94 5.144 -5.716 -12.926 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.746 -1.154 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 94 6.614 -2.949 -10.331 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.199 -1.570 -12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.684 -3.012 -11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.023 -3.203 -12.949 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.357 -2.990 -14.065 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.588 -5.245 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.419 -4.885 -12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.779 -6.538 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.175 -5.028 -11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.575 -6.488 -12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.598 -4.831 -12.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.383 -5.941 -13.913 1.00 0.00 H new ATOM 387 N LYS A 95 7.768 0.122 -10.169 1.00 0.00 N ATOM 388 CA LYS A 95 8.480 1.059 -9.309 1.00 0.00 C ATOM 389 C LYS A 95 7.842 1.085 -7.925 1.00 0.00 C ATOM 390 O LYS A 95 8.497 0.811 -6.917 1.00 0.00 O ATOM 391 CB LYS A 95 8.469 2.461 -9.920 1.00 0.00 C ATOM 392 CG LYS A 95 9.597 2.703 -10.909 1.00 0.00 C ATOM 393 CD LYS A 95 9.785 4.185 -11.189 1.00 0.00 C ATOM 394 CE LYS A 95 10.921 4.768 -10.364 1.00 0.00 C ATOM 395 NZ LYS A 95 12.222 4.105 -10.663 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.316 0.548 -10.978 1.00 0.00 H new ATOM 0 HA LYS A 95 9.515 0.730 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.515 2.621 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.535 3.198 -9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.524 2.286 -10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.383 2.180 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.991 4.333 -12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.861 4.719 -10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.004 5.836 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.693 4.659 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.002 4.761 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.321 3.253 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.253 3.838 -11.668 1.00 0.00 H new ATOM 409 N LEU A 96 6.552 1.409 -7.886 1.00 0.00 N ATOM 410 CA LEU A 96 5.809 1.466 -6.636 1.00 0.00 C ATOM 411 C LEU A 96 5.995 0.187 -5.823 1.00 0.00 C ATOM 412 O LEU A 96 6.456 0.225 -4.683 1.00 0.00 O ATOM 413 CB LEU A 96 4.325 1.691 -6.924 1.00 0.00 C ATOM 414 CG LEU A 96 3.772 2.996 -6.388 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.655 3.521 -7.277 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.287 2.809 -4.961 1.00 0.00 C ATOM 0 H LEU A 96 5.999 1.637 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 96 6.195 2.299 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.168 1.660 -8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.756 0.866 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 96 4.571 3.737 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.276 4.458 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.040 3.692 -8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.848 2.790 -7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.891 3.752 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.503 2.052 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.118 2.488 -4.333 1.00 0.00 H new ATOM 428 N VAL A 97 5.637 -0.946 -6.418 1.00 0.00 N ATOM 429 CA VAL A 97 5.772 -2.230 -5.743 1.00 0.00 C ATOM 430 C VAL A 97 7.172 -2.393 -5.161 1.00 0.00 C ATOM 431 O VAL A 97 7.359 -3.048 -4.136 1.00 0.00 O ATOM 432 CB VAL A 97 5.478 -3.404 -6.697 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.491 -3.445 -7.828 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.467 -4.718 -5.933 1.00 0.00 C ATOM 0 H VAL A 97 5.253 -1.001 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 97 5.040 -2.245 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 97 4.491 -3.254 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.264 -4.281 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.444 -2.513 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.492 -3.570 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.258 -5.537 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.439 -4.875 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.696 -4.685 -5.163 1.00 0.00 H new ATOM 444 N ASP A 98 8.150 -1.780 -5.821 1.00 0.00 N ATOM 445 CA ASP A 98 9.532 -1.845 -5.368 1.00 0.00 C ATOM 446 C ASP A 98 9.673 -1.187 -4.000 1.00 0.00 C ATOM 447 O ASP A 98 10.519 -1.580 -3.196 1.00 0.00 O ATOM 448 CB ASP A 98 10.456 -1.161 -6.376 1.00 0.00 C ATOM 449 CG ASP A 98 11.880 -1.673 -6.295 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.274 -2.165 -5.217 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.602 -1.583 -7.310 1.00 0.00 O1- ATOM 0 H ASP A 98 8.009 -1.233 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 98 9.819 -2.893 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.072 -1.321 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.449 -0.085 -6.199 1.00 0.00 H new ATOM 456 N GLN A 99 8.836 -0.186 -3.741 1.00 0.00 N ATOM 457 CA GLN A 99 8.868 0.520 -2.467 1.00 0.00 C ATOM 458 C GLN A 99 8.401 -0.390 -1.337 1.00 0.00 C ATOM 459 O GLN A 99 9.002 -0.414 -0.262 1.00 0.00 O ATOM 460 CB GLN A 99 7.996 1.777 -2.525 1.00 0.00 C ATOM 461 CG GLN A 99 8.763 3.032 -2.908 1.00 0.00 C ATOM 462 CD GLN A 99 9.818 3.406 -1.884 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.675 3.121 -0.696 1.00 0.00 O ATOM 464 NE2 GLN A 99 10.886 4.048 -2.344 1.00 0.00 N ATOM 0 H GLN A 99 8.130 0.152 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 99 9.898 0.819 -2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.192 1.619 -3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.528 1.930 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.240 2.881 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.064 3.860 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.962 4.264 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.630 4.325 -1.703 1.00 0.00 H new ATOM 473 N ILE A 100 7.330 -1.142 -1.581 1.00 0.00 N ATOM 474 CA ILE A 100 6.801 -2.051 -0.574 1.00 0.00 C ATOM 475 C ILE A 100 7.800 -3.141 -0.258 1.00 0.00 C ATOM 476 O ILE A 100 8.300 -3.247 0.861 1.00 0.00 O ATOM 477 CB ILE A 100 5.493 -2.730 -1.017 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.646 -1.805 -1.887 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.708 -3.168 0.202 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.454 -0.433 -1.292 1.00 0.00 C ATOM 0 H ILE A 100 6.816 -1.138 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 100 6.602 -1.437 0.305 1.00 0.00 H new ATOM 0 HB ILE A 100 5.750 -3.602 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.117 -1.706 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.670 -2.263 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.782 -3.648 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.302 -3.873 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.474 -2.298 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.843 0.172 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.955 -0.522 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.425 0.044 -1.156 1.00 0.00 H new ATOM 492 N GLU A 101 8.095 -3.945 -1.268 1.00 0.00 N ATOM 493 CA GLU A 101 9.053 -5.035 -1.118 1.00 0.00 C ATOM 494 C GLU A 101 10.338 -4.525 -0.472 1.00 0.00 C ATOM 495 O GLU A 101 11.085 -5.286 0.144 1.00 0.00 O ATOM 496 CB GLU A 101 9.361 -5.667 -2.476 1.00 0.00 C ATOM 497 CG GLU A 101 10.125 -6.977 -2.380 1.00 0.00 C ATOM 498 CD GLU A 101 11.221 -7.092 -3.421 1.00 0.00 C ATOM 499 OE1 GLU A 101 11.929 -6.089 -3.650 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 11.371 -8.184 -4.007 1.00 0.00 O ATOM 0 H GLU A 101 7.687 -3.865 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 101 8.613 -5.795 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.425 -5.840 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.940 -4.962 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.563 -7.066 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.429 -7.808 -2.497 1.00 0.00 H new ATOM 507 N PHE A 102 10.573 -3.223 -0.607 1.00 0.00 N ATOM 508 CA PHE A 102 11.749 -2.587 -0.029 1.00 0.00 C ATOM 509 C PHE A 102 11.470 -2.209 1.419 1.00 0.00 C ATOM 510 O PHE A 102 12.276 -2.461 2.314 1.00 0.00 O ATOM 511 CB PHE A 102 12.116 -1.341 -0.845 1.00 0.00 C ATOM 512 CG PHE A 102 13.003 -0.366 -0.122 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.456 0.617 0.687 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.381 -0.430 -0.257 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.266 1.518 1.351 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.196 0.470 0.404 1.00 0.00 C ATOM 517 CZ PHE A 102 14.639 1.444 1.209 1.00 0.00 C ATOM 0 H PHE A 102 9.960 -2.586 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 102 12.587 -3.283 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.614 -1.656 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.199 -0.831 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.384 0.680 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.822 -1.190 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.827 2.279 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.268 0.411 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.275 2.147 1.727 1.00 0.00 H new ATOM 527 N TYR A 103 10.311 -1.604 1.626 1.00 0.00 N ATOM 528 CA TYR A 103 9.879 -1.174 2.948 1.00 0.00 C ATOM 529 C TYR A 103 9.848 -2.347 3.921 1.00 0.00 C ATOM 530 O TYR A 103 10.420 -2.288 5.009 1.00 0.00 O ATOM 531 CB TYR A 103 8.488 -0.540 2.850 1.00 0.00 C ATOM 532 CG TYR A 103 7.429 -1.272 3.647 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.316 -1.069 5.013 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.555 -2.171 3.042 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.365 -1.733 5.757 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.597 -2.838 3.780 1.00 0.00 C ATOM 537 CZ TYR A 103 5.506 -2.615 5.139 1.00 0.00 C ATOM 538 OH TYR A 103 4.555 -3.279 5.879 1.00 0.00 O ATOM 0 H TYR A 103 9.643 -1.397 0.883 1.00 0.00 H new ATOM 0 HA TYR A 103 10.591 -0.440 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.543 0.492 3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.186 -0.508 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.985 -0.378 5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.627 -2.350 1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.293 -1.563 6.821 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.923 -3.530 3.297 1.00 0.00 H new ATOM 0 HH TYR A 103 4.810 -4.221 5.969 1.00 0.00 H new ATOM 548 N PHE A 104 9.144 -3.402 3.526 1.00 0.00 N ATOM 549 CA PHE A 104 8.998 -4.585 4.367 1.00 0.00 C ATOM 550 C PHE A 104 10.300 -5.378 4.487 1.00 0.00 C ATOM 551 O PHE A 104 10.331 -6.424 5.137 1.00 0.00 O ATOM 552 CB PHE A 104 7.887 -5.489 3.820 1.00 0.00 C ATOM 553 CG PHE A 104 6.749 -5.709 4.779 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.985 -5.893 6.132 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.440 -5.734 4.324 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.939 -6.095 7.013 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.390 -5.937 5.199 1.00 0.00 C ATOM 558 CZ PHE A 104 4.640 -6.118 6.544 1.00 0.00 C ATOM 0 H PHE A 104 8.665 -3.462 2.628 1.00 0.00 H new ATOM 0 HA PHE A 104 8.733 -4.238 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.495 -5.051 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.317 -6.455 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.999 -5.878 6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.238 -5.593 3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.137 -6.234 8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.375 -5.954 4.831 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.821 -6.278 7.229 1.00 0.00 H new ATOM 568 N SER A 105 11.382 -4.879 3.894 1.00 0.00 N ATOM 569 CA SER A 105 12.668 -5.562 3.996 1.00 0.00 C ATOM 570 C SER A 105 13.093 -5.634 5.462 1.00 0.00 C ATOM 571 O SER A 105 12.897 -4.681 6.214 1.00 0.00 O ATOM 572 CB SER A 105 13.730 -4.833 3.172 1.00 0.00 C ATOM 573 OG SER A 105 13.496 -4.991 1.783 1.00 0.00 O ATOM 0 H SER A 105 11.395 -4.018 3.347 1.00 0.00 H new ATOM 0 HA SER A 105 12.565 -6.573 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.727 -3.773 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.718 -5.219 3.424 1.00 0.00 H new ATOM 0 HG SER A 105 12.532 -5.059 1.619 1.00 0.00 H new ATOM 579 N ASP A 106 13.661 -6.767 5.872 1.00 0.00 N ATOM 580 CA ASP A 106 14.092 -6.955 7.261 1.00 0.00 C ATOM 581 C ASP A 106 14.803 -5.712 7.810 1.00 0.00 C ATOM 582 O ASP A 106 14.472 -5.213 8.891 1.00 0.00 O ATOM 583 CB ASP A 106 15.014 -8.178 7.371 1.00 0.00 C ATOM 584 CG ASP A 106 16.376 -7.956 6.738 1.00 0.00 C ATOM 585 OD1 ASP A 106 16.422 -7.542 5.561 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 17.394 -8.195 7.421 1.00 0.00 O ATOM 0 H ASP A 106 13.834 -7.569 5.265 1.00 0.00 H new ATOM 0 HA ASP A 106 13.198 -7.120 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.146 -8.433 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.533 -9.032 6.894 1.00 0.00 H new ATOM 591 N GLU A 107 15.782 -5.223 7.055 1.00 0.00 N ATOM 592 CA GLU A 107 16.557 -4.050 7.448 1.00 0.00 C ATOM 593 C GLU A 107 15.734 -2.774 7.360 1.00 0.00 C ATOM 594 O GLU A 107 16.097 -1.745 7.929 1.00 0.00 O ATOM 595 CB GLU A 107 17.773 -3.918 6.543 1.00 0.00 C ATOM 596 CG GLU A 107 18.737 -5.081 6.657 1.00 0.00 C ATOM 597 CD GLU A 107 19.537 -5.053 7.945 1.00 0.00 C ATOM 598 OE1 GLU A 107 19.095 -4.384 8.904 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 20.604 -5.699 7.995 1.00 0.00 O ATOM 0 H GLU A 107 16.059 -5.625 6.160 1.00 0.00 H new ATOM 0 HA GLU A 107 16.864 -4.187 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.439 -3.832 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.299 -2.995 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.180 -6.016 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.421 -5.065 5.809 1.00 0.00 H new ATOM 606 N ASN A 108 14.630 -2.848 6.640 1.00 0.00 N ATOM 607 CA ASN A 108 13.753 -1.701 6.466 1.00 0.00 C ATOM 608 C ASN A 108 12.689 -1.670 7.550 1.00 0.00 C ATOM 609 O ASN A 108 12.068 -0.638 7.792 1.00 0.00 O ATOM 610 CB ASN A 108 13.105 -1.729 5.082 1.00 0.00 C ATOM 611 CG ASN A 108 14.057 -1.276 3.993 1.00 0.00 C ATOM 612 OD1 ASN A 108 13.811 -0.280 3.313 1.00 0.00 O ATOM 613 ND2 ASN A 108 15.153 -2.005 3.822 1.00 0.00 N ATOM 0 H ASN A 108 14.317 -3.694 6.164 1.00 0.00 H new ATOM 0 HA ASN A 108 14.353 -0.795 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.762 -2.740 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.224 -1.087 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.830 -1.747 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 108 15.318 -2.823 4.408 1.00 0.00 H new ATOM 620 N LEU A 109 12.495 -2.805 8.209 1.00 0.00 N ATOM 621 CA LEU A 109 11.530 -2.913 9.276 1.00 0.00 C ATOM 622 C LEU A 109 12.039 -2.180 10.490 1.00 0.00 C ATOM 623 O LEU A 109 11.375 -1.294 11.028 1.00 0.00 O ATOM 624 CB LEU A 109 11.306 -4.371 9.602 1.00 0.00 C ATOM 625 CG LEU A 109 10.218 -5.035 8.780 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.908 -4.994 9.539 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.060 -4.366 7.426 1.00 0.00 C ATOM 0 H LEU A 109 13.003 -3.668 8.014 1.00 0.00 H new ATOM 0 HA LEU A 109 10.585 -2.468 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.240 -4.912 9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.052 -4.460 10.658 1.00 0.00 H new ATOM 0 HG LEU A 109 10.506 -6.072 8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.129 -5.472 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.019 -5.523 10.485 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.632 -3.957 9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.272 -4.866 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.796 -3.318 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.998 -4.433 6.875 1.00 0.00 H new ATOM 639 N GLU A 110 13.246 -2.543 10.899 1.00 0.00 N ATOM 640 CA GLU A 110 13.875 -1.905 12.035 1.00 0.00 C ATOM 641 C GLU A 110 13.926 -0.389 11.839 1.00 0.00 C ATOM 642 O GLU A 110 14.199 0.359 12.777 1.00 0.00 O ATOM 643 CB GLU A 110 15.294 -2.438 12.283 1.00 0.00 C ATOM 644 CG GLU A 110 15.712 -3.596 11.402 1.00 0.00 C ATOM 645 CD GLU A 110 17.200 -3.886 11.486 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.969 -2.955 11.806 1.00 0.00 O ATOM 647 OE2 GLU A 110 17.594 -5.044 11.233 1.00 0.00 O1- ATOM 0 H GLU A 110 13.804 -3.275 10.459 1.00 0.00 H new ATOM 0 HA GLU A 110 13.268 -2.141 12.909 1.00 0.00 H new ATOM 0 HB2 GLU A 110 16.001 -1.621 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.371 -2.749 13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.155 -4.487 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.446 -3.376 10.368 1.00 0.00 H new ATOM 654 N LYS A 111 13.684 0.053 10.603 1.00 0.00 N ATOM 655 CA LYS A 111 13.722 1.467 10.271 1.00 0.00 C ATOM 656 C LYS A 111 12.356 1.983 9.807 1.00 0.00 C ATOM 657 O LYS A 111 12.148 3.192 9.705 1.00 0.00 O ATOM 658 CB LYS A 111 14.782 1.691 9.181 1.00 0.00 C ATOM 659 CG LYS A 111 14.294 2.481 7.977 1.00 0.00 C ATOM 660 CD LYS A 111 15.389 2.647 6.937 1.00 0.00 C ATOM 661 CE LYS A 111 15.626 1.358 6.166 1.00 0.00 C ATOM 662 NZ LYS A 111 16.812 1.455 5.271 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.459 -0.556 9.817 1.00 0.00 H new ATOM 0 HA LYS A 111 13.983 2.029 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.632 2.212 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.144 0.721 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.440 1.973 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.947 3.462 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.116 3.442 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.313 2.955 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.767 0.536 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.742 1.122 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.939 0.556 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.667 2.222 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.660 1.655 5.839 1.00 0.00 H new ATOM 676 N ASP A 112 11.434 1.070 9.505 1.00 0.00 N ATOM 677 CA ASP A 112 10.110 1.463 9.027 1.00 0.00 C ATOM 678 C ASP A 112 9.003 0.962 9.940 1.00 0.00 C ATOM 679 O ASP A 112 8.261 0.040 9.600 1.00 0.00 O ATOM 680 CB ASP A 112 9.895 0.945 7.613 1.00 0.00 C ATOM 681 CG ASP A 112 8.600 1.431 6.998 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.585 1.503 7.722 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 8.598 1.740 5.788 1.00 0.00 O ATOM 0 H ASP A 112 11.577 0.063 9.582 1.00 0.00 H new ATOM 0 HA ASP A 112 10.068 2.552 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.729 1.259 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.898 -0.145 7.626 1.00 0.00 H new ATOM 688 N ALA A 113 8.892 1.596 11.091 1.00 0.00 N ATOM 689 CA ALA A 113 7.867 1.249 12.066 1.00 0.00 C ATOM 690 C ALA A 113 6.520 1.868 11.696 1.00 0.00 C ATOM 691 O ALA A 113 5.469 1.369 12.091 1.00 0.00 O ATOM 692 CB ALA A 113 8.294 1.689 13.458 1.00 0.00 C ATOM 0 H ALA A 113 9.503 2.361 11.379 1.00 0.00 H new ATOM 0 HA ALA A 113 7.748 0.166 12.062 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.519 1.424 14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.225 1.191 13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.444 2.769 13.468 1.00 0.00 H new ATOM 698 N PHE A 114 6.561 2.966 10.944 1.00 0.00 N ATOM 699 CA PHE A 114 5.344 3.663 10.531 1.00 0.00 C ATOM 700 C PHE A 114 4.472 2.788 9.630 1.00 0.00 C ATOM 701 O PHE A 114 3.251 2.747 9.784 1.00 0.00 O ATOM 702 CB PHE A 114 5.703 4.963 9.799 1.00 0.00 C ATOM 703 CG PHE A 114 6.708 4.772 8.696 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.334 4.197 7.493 1.00 0.00 C ATOM 705 CD2 PHE A 114 8.030 5.150 8.870 1.00 0.00 C ATOM 706 CE1 PHE A 114 7.255 4.001 6.485 1.00 0.00 C ATOM 707 CE2 PHE A 114 8.957 4.960 7.863 1.00 0.00 C ATOM 708 CZ PHE A 114 8.569 4.384 6.668 1.00 0.00 C ATOM 0 H PHE A 114 7.424 3.393 10.608 1.00 0.00 H new ATOM 0 HA PHE A 114 4.774 3.895 11.431 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.795 5.398 9.381 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.098 5.679 10.519 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.307 3.898 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.339 5.598 9.803 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.949 3.548 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.984 5.261 8.010 1.00 0.00 H new ATOM 0 HZ PHE A 114 9.292 4.234 5.879 1.00 0.00 H new ATOM 718 N LEU A 115 5.104 2.104 8.683 1.00 0.00 N ATOM 719 CA LEU A 115 4.390 1.245 7.745 1.00 0.00 C ATOM 720 C LEU A 115 4.148 -0.140 8.346 1.00 0.00 C ATOM 721 O LEU A 115 3.197 -0.829 7.978 1.00 0.00 O ATOM 722 CB LEU A 115 5.181 1.133 6.434 1.00 0.00 C ATOM 723 CG LEU A 115 4.351 1.129 5.139 1.00 0.00 C ATOM 724 CD1 LEU A 115 5.191 0.652 3.960 1.00 0.00 C ATOM 725 CD2 LEU A 115 3.113 0.258 5.282 1.00 0.00 C ATOM 0 H LEU A 115 6.114 2.128 8.544 1.00 0.00 H new ATOM 0 HA LEU A 115 3.418 1.692 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.886 1.963 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.770 0.216 6.466 1.00 0.00 H new ATOM 0 HG LEU A 115 4.030 2.154 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.584 0.657 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.044 1.317 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.547 -0.360 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.547 0.275 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.412 -0.766 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.491 0.640 6.092 1.00 0.00 H new ATOM 737 N LEU A 116 5.019 -0.540 9.270 1.00 0.00 N ATOM 738 CA LEU A 116 4.903 -1.841 9.921 1.00 0.00 C ATOM 739 C LEU A 116 3.920 -1.791 11.087 1.00 0.00 C ATOM 740 O LEU A 116 3.060 -2.661 11.220 1.00 0.00 O ATOM 741 CB LEU A 116 6.276 -2.312 10.416 1.00 0.00 C ATOM 742 CG LEU A 116 6.278 -3.629 11.202 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.839 -3.398 12.639 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.385 -4.662 10.527 1.00 0.00 C ATOM 0 H LEU A 116 5.812 0.019 9.584 1.00 0.00 H new ATOM 0 HA LEU A 116 4.523 -2.550 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.935 -2.422 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.703 -1.532 11.047 1.00 0.00 H new ATOM 0 HG LEU A 116 7.297 -4.016 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.847 -4.345 13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.523 -2.700 13.121 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.831 -2.984 12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.402 -5.588 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.364 -4.284 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.750 -4.854 9.518 1.00 0.00 H new ATOM 922 N TYR A 126 -2.962 -6.209 8.514 1.00 0.00 N ATOM 923 CA TYR A 126 -2.644 -5.915 7.121 1.00 0.00 C ATOM 924 C TYR A 126 -2.336 -4.434 6.937 1.00 0.00 C ATOM 925 O TYR A 126 -2.693 -3.609 7.777 1.00 0.00 O ATOM 926 CB TYR A 126 -3.810 -6.315 6.213 1.00 0.00 C ATOM 927 CG TYR A 126 -4.104 -7.798 6.208 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.482 -8.456 7.371 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.010 -8.539 5.036 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.756 -9.811 7.367 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.282 -9.894 5.025 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.655 -10.525 6.192 1.00 0.00 C ATOM 933 OH TYR A 126 -4.927 -11.873 6.185 1.00 0.00 O ATOM 0 HA TYR A 126 -1.761 -6.493 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.704 -5.779 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.590 -5.995 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.563 -7.900 8.293 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.720 -8.048 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.048 -10.308 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.203 -10.456 4.106 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.810 -12.226 5.278 1.00 0.00 H new ATOM 943 N VAL A 127 -1.677 -4.098 5.831 1.00 0.00 N ATOM 944 CA VAL A 127 -1.336 -2.715 5.542 1.00 0.00 C ATOM 945 C VAL A 127 -2.371 -2.099 4.611 1.00 0.00 C ATOM 946 O VAL A 127 -2.599 -2.597 3.512 1.00 0.00 O ATOM 947 CB VAL A 127 0.053 -2.621 4.890 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.428 -1.178 4.610 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.100 -3.293 5.766 1.00 0.00 C ATOM 0 H VAL A 127 -1.371 -4.766 5.124 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.324 -2.168 6.485 1.00 0.00 H new ATOM 0 HB VAL A 127 0.016 -3.146 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.415 -1.141 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.305 -0.736 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.443 -0.618 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.077 -3.217 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.132 -2.801 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.843 -4.344 5.900 1.00 0.00 H new ATOM 959 N SER A 128 -3.003 -1.022 5.057 1.00 0.00 N ATOM 960 CA SER A 128 -4.022 -0.363 4.257 1.00 0.00 C ATOM 961 C SER A 128 -3.408 0.572 3.220 1.00 0.00 C ATOM 962 O SER A 128 -2.571 1.417 3.541 1.00 0.00 O ATOM 963 CB SER A 128 -4.983 0.416 5.156 1.00 0.00 C ATOM 964 OG SER A 128 -6.310 0.349 4.665 1.00 0.00 O ATOM 0 H SER A 128 -2.828 -0.589 5.964 1.00 0.00 H new ATOM 0 HA SER A 128 -4.573 -1.139 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.946 0.013 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.666 1.457 5.216 1.00 0.00 H new ATOM 0 HG SER A 128 -6.904 0.854 5.259 1.00 0.00 H new ATOM 970 N VAL A 129 -3.840 0.421 1.971 1.00 0.00 N ATOM 971 CA VAL A 129 -3.342 1.257 0.889 1.00 0.00 C ATOM 972 C VAL A 129 -3.677 2.724 1.153 1.00 0.00 C ATOM 973 O VAL A 129 -2.952 3.622 0.723 1.00 0.00 O ATOM 974 CB VAL A 129 -3.920 0.819 -0.480 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.157 2.016 -1.394 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.989 -0.176 -1.153 1.00 0.00 C ATOM 0 H VAL A 129 -4.532 -0.272 1.686 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.259 1.138 0.851 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.882 0.340 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.563 1.672 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.864 2.699 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.214 2.534 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.409 -0.474 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.015 0.286 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.875 -1.055 -0.518 1.00 0.00 H new ATOM 986 N LYS A 130 -4.776 2.958 1.865 1.00 0.00 N ATOM 987 CA LYS A 130 -5.205 4.316 2.190 1.00 0.00 C ATOM 988 C LYS A 130 -4.036 5.138 2.718 1.00 0.00 C ATOM 989 O LYS A 130 -3.917 6.329 2.426 1.00 0.00 O ATOM 990 CB LYS A 130 -6.332 4.285 3.224 1.00 0.00 C ATOM 991 CG LYS A 130 -7.011 5.629 3.425 1.00 0.00 C ATOM 992 CD LYS A 130 -7.859 5.642 4.686 1.00 0.00 C ATOM 993 CE LYS A 130 -7.759 6.974 5.412 1.00 0.00 C ATOM 994 NZ LYS A 130 -8.435 8.067 4.661 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.386 2.225 2.228 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.575 4.784 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -7.078 3.553 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.929 3.945 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.257 6.414 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.637 5.854 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.899 5.445 4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.537 4.840 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.207 6.883 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -6.710 7.230 5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.344 8.958 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.992 8.172 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -9.442 7.836 4.543 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.169 4.491 3.490 1.00 0.00 N ATOM 1009 CA LEU A 131 -2.004 5.156 4.050 1.00 0.00 C ATOM 1010 C LEU A 131 -0.857 5.170 3.041 1.00 0.00 C ATOM 1011 O LEU A 131 -0.047 6.096 3.021 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.586 4.481 5.362 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.412 3.518 5.249 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.894 4.238 5.540 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.596 2.331 6.183 1.00 0.00 C ATOM 0 H LEU A 131 -3.254 3.506 3.741 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.263 6.191 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.332 5.255 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.443 3.939 5.763 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.374 3.139 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.723 3.536 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.030 5.049 4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.867 4.647 6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.254 1.656 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.663 2.685 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.512 1.801 5.922 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.799 4.140 2.200 1.00 0.00 N ATOM 1028 CA LEU A 132 0.244 4.043 1.186 1.00 0.00 C ATOM 1029 C LEU A 132 0.199 5.242 0.248 1.00 0.00 C ATOM 1030 O LEU A 132 1.232 5.701 -0.240 1.00 0.00 O ATOM 1031 CB LEU A 132 0.082 2.754 0.380 1.00 0.00 C ATOM 1032 CG LEU A 132 0.837 1.542 0.928 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.619 1.407 2.426 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.396 0.277 0.209 1.00 0.00 C ATOM 0 H LEU A 132 -1.461 3.364 2.202 1.00 0.00 H new ATOM 0 HA LEU A 132 1.209 4.031 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.979 2.508 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.416 2.939 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 132 1.902 1.690 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.164 0.539 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.980 2.304 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.444 1.281 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.941 -0.578 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.673 0.127 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.603 0.373 -0.857 1.00 0.00 H new ATOM 1046 N THR A 133 -1.006 5.743 -0.001 1.00 0.00 N ATOM 1047 CA THR A 133 -1.192 6.886 -0.877 1.00 0.00 C ATOM 1048 C THR A 133 -0.576 8.131 -0.264 1.00 0.00 C ATOM 1049 O THR A 133 0.017 8.959 -0.957 1.00 0.00 O ATOM 1050 CB THR A 133 -2.679 7.102 -1.132 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.457 6.519 -0.102 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.136 6.515 -2.442 1.00 0.00 C ATOM 0 H THR A 133 -1.869 5.371 0.395 1.00 0.00 H new ATOM 0 HA THR A 133 -0.693 6.689 -1.826 1.00 0.00 H new ATOM 0 HB THR A 133 -2.820 8.182 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.171 6.874 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.203 6.699 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.586 6.980 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 133 -2.950 5.441 -2.444 1.00 0.00 H new ATOM 1060 N SER A 134 -0.709 8.240 1.047 1.00 0.00 N ATOM 1061 CA SER A 134 -0.156 9.368 1.785 1.00 0.00 C ATOM 1062 C SER A 134 1.184 8.980 2.403 1.00 0.00 C ATOM 1063 O SER A 134 1.639 9.596 3.366 1.00 0.00 O ATOM 1064 CB SER A 134 -1.127 9.821 2.876 1.00 0.00 C ATOM 1065 OG SER A 134 -0.524 10.778 3.731 1.00 0.00 O ATOM 0 H SER A 134 -1.198 7.558 1.627 1.00 0.00 H new ATOM 0 HA SER A 134 -0.002 10.196 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.019 10.249 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.450 8.959 3.460 1.00 0.00 H new ATOM 0 HG SER A 134 0.367 10.466 3.995 1.00 0.00 H new ATOM 1071 N PHE A 135 1.803 7.947 1.839 1.00 0.00 N ATOM 1072 CA PHE A 135 3.087 7.458 2.323 1.00 0.00 C ATOM 1073 C PHE A 135 4.228 8.353 1.839 1.00 0.00 C ATOM 1074 O PHE A 135 4.520 8.420 0.645 1.00 0.00 O ATOM 1075 CB PHE A 135 3.287 6.013 1.858 1.00 0.00 C ATOM 1076 CG PHE A 135 4.569 5.378 2.325 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.257 5.879 3.420 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.080 4.270 1.669 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.431 5.288 3.848 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.253 3.675 2.092 1.00 0.00 C ATOM 1081 CZ PHE A 135 6.929 4.185 3.183 1.00 0.00 C ATOM 0 H PHE A 135 1.432 7.431 1.041 1.00 0.00 H new ATOM 0 HA PHE A 135 3.092 7.484 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.449 5.412 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.260 5.988 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.871 6.741 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.555 3.866 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.958 5.688 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.641 2.812 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 135 7.846 3.722 3.516 1.00 0.00 H new ATOM 1091 N LYS A 136 4.854 9.054 2.783 1.00 0.00 N ATOM 1092 CA LYS A 136 5.952 9.974 2.482 1.00 0.00 C ATOM 1093 C LYS A 136 6.999 9.355 1.554 1.00 0.00 C ATOM 1094 O LYS A 136 7.659 10.065 0.795 1.00 0.00 O ATOM 1095 CB LYS A 136 6.619 10.432 3.781 1.00 0.00 C ATOM 1096 CG LYS A 136 6.739 11.942 3.904 1.00 0.00 C ATOM 1097 CD LYS A 136 7.326 12.347 5.247 1.00 0.00 C ATOM 1098 CE LYS A 136 7.817 13.785 5.230 1.00 0.00 C ATOM 1099 NZ LYS A 136 8.938 14.001 6.186 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.617 9.002 3.774 1.00 0.00 H new ATOM 0 HA LYS A 136 5.521 10.829 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.047 10.051 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.614 9.991 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.368 12.325 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.756 12.397 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.572 12.228 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.152 11.682 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.144 14.045 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.993 14.453 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.244 14.994 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.620 13.777 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.735 13.382 5.932 1.00 0.00 H new ATOM 1113 N LYS A 137 7.155 8.038 1.617 1.00 0.00 N ATOM 1114 CA LYS A 137 8.131 7.351 0.779 1.00 0.00 C ATOM 1115 C LYS A 137 7.592 7.174 -0.633 1.00 0.00 C ATOM 1116 O LYS A 137 8.351 7.163 -1.603 1.00 0.00 O ATOM 1117 CB LYS A 137 8.488 5.990 1.377 1.00 0.00 C ATOM 1118 CG LYS A 137 9.900 5.535 1.051 1.00 0.00 C ATOM 1119 CD LYS A 137 10.926 6.226 1.934 1.00 0.00 C ATOM 1120 CE LYS A 137 12.041 5.277 2.341 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.774 5.763 3.542 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.622 7.427 2.236 1.00 0.00 H new ATOM 0 HA LYS A 137 9.033 7.962 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.371 6.036 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 137 7.781 5.245 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 137 9.975 4.455 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.119 5.746 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.349 7.079 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.436 6.617 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 137 11.622 4.292 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.739 5.161 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.526 5.088 3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.196 6.692 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.113 5.850 4.340 1.00 0.00 H new ATOM 1135 N VAL A 138 6.276 7.042 -0.742 1.00 0.00 N ATOM 1136 CA VAL A 138 5.634 6.872 -2.033 1.00 0.00 C ATOM 1137 C VAL A 138 5.382 8.231 -2.686 1.00 0.00 C ATOM 1138 O VAL A 138 5.578 8.401 -3.889 1.00 0.00 O ATOM 1139 CB VAL A 138 4.305 6.095 -1.899 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.425 6.292 -3.126 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.578 4.615 -1.665 1.00 0.00 C ATOM 0 H VAL A 138 5.634 7.050 0.051 1.00 0.00 H new ATOM 0 HA VAL A 138 6.306 6.292 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 138 3.767 6.491 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.497 5.733 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.197 7.351 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.949 5.933 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.632 4.081 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.142 4.212 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.155 4.492 -0.749 1.00 0.00 H new ATOM 1151 N LYS A 139 4.945 9.192 -1.882 1.00 0.00 N ATOM 1152 CA LYS A 139 4.667 10.537 -2.372 1.00 0.00 C ATOM 1153 C LYS A 139 5.900 11.144 -3.031 1.00 0.00 C ATOM 1154 O LYS A 139 5.790 11.947 -3.957 1.00 0.00 O ATOM 1155 CB LYS A 139 4.214 11.437 -1.227 1.00 0.00 C ATOM 1156 CG LYS A 139 3.052 10.876 -0.421 1.00 0.00 C ATOM 1157 CD LYS A 139 3.078 11.376 1.015 1.00 0.00 C ATOM 1158 CE LYS A 139 1.947 12.355 1.287 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.884 12.747 2.722 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.775 9.065 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 139 3.871 10.462 -3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.057 11.609 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.926 12.407 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.111 11.162 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 139 3.094 9.787 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.999 10.529 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.034 11.859 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 139 2.082 13.246 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 139 0.999 11.905 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 1.686 13.765 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 1.128 12.212 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 2.794 12.537 3.179 1.00 0.00 H new ATOM 1173 N HIS A 140 7.075 10.755 -2.545 1.00 0.00 N ATOM 1174 CA HIS A 140 8.332 11.259 -3.085 1.00 0.00 C ATOM 1175 C HIS A 140 8.439 10.976 -4.581 1.00 0.00 C ATOM 1176 O HIS A 140 9.258 11.575 -5.279 1.00 0.00 O ATOM 1177 CB HIS A 140 9.517 10.629 -2.347 1.00 0.00 C ATOM 1178 CG HIS A 140 10.527 11.628 -1.873 1.00 0.00 C ATOM 1179 ND1 HIS A 140 11.801 11.280 -1.476 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.446 12.973 -1.734 1.00 0.00 C ATOM 1181 CE1 HIS A 140 12.459 12.366 -1.111 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.659 13.406 -1.259 1.00 0.00 N ATOM 0 H HIS A 140 7.182 10.092 -1.778 1.00 0.00 H new ATOM 0 HA HIS A 140 8.353 12.339 -2.938 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.144 10.067 -1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 140 10.008 9.914 -3.008 1.00 0.00 H new ATOM 0 HD2 HIS A 140 9.587 13.590 -1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 140 13.477 12.398 -0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.903 14.375 -1.054 1.00 0.00 H new ATOM 1191 N LEU A 141 7.607 10.060 -5.069 1.00 0.00 N ATOM 1192 CA LEU A 141 7.610 9.702 -6.481 1.00 0.00 C ATOM 1193 C LEU A 141 6.820 10.714 -7.303 1.00 0.00 C ATOM 1194 O LEU A 141 7.381 11.448 -8.116 1.00 0.00 O ATOM 1195 CB LEU A 141 7.014 8.306 -6.681 1.00 0.00 C ATOM 1196 CG LEU A 141 7.399 7.271 -5.624 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.303 6.225 -5.484 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.724 6.615 -5.980 1.00 0.00 C ATOM 0 H LEU A 141 6.923 9.553 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 141 8.645 9.704 -6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.928 8.393 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.322 7.934 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 141 7.515 7.779 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.591 5.495 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.374 6.710 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.158 5.720 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.983 5.881 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.636 6.118 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.504 7.375 -6.032 1.00 0.00 H new ATOM 1210 N THR A 142 5.509 10.735 -7.086 1.00 0.00 N ATOM 1211 CA THR A 142 4.622 11.643 -7.804 1.00 0.00 C ATOM 1212 C THR A 142 3.256 11.681 -7.134 1.00 0.00 C ATOM 1213 O THR A 142 3.081 11.170 -6.028 1.00 0.00 O ATOM 1214 CB THR A 142 4.461 11.186 -9.260 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.531 10.341 -9.645 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.407 12.333 -10.246 1.00 0.00 C ATOM 0 H THR A 142 5.035 10.130 -6.415 1.00 0.00 H new ATOM 0 HA THR A 142 5.061 12.640 -7.786 1.00 0.00 H new ATOM 0 HB THR A 142 3.509 10.656 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.408 10.061 -10.576 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.292 11.939 -11.256 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.560 12.977 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.330 12.910 -10.184 1.00 0.00 H new ATOM 1224 N ARG A 143 2.280 12.256 -7.826 1.00 0.00 N ATOM 1225 CA ARG A 143 0.921 12.318 -7.311 1.00 0.00 C ATOM 1226 C ARG A 143 0.154 11.070 -7.741 1.00 0.00 C ATOM 1227 O ARG A 143 -1.076 11.063 -7.790 1.00 0.00 O ATOM 1228 CB ARG A 143 0.211 13.575 -7.820 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.648 14.257 -6.767 1.00 0.00 C ATOM 1230 CD ARG A 143 -1.290 15.524 -7.308 1.00 0.00 C ATOM 1231 NE ARG A 143 -2.662 15.688 -6.833 1.00 0.00 N ATOM 1232 CZ ARG A 143 -2.979 16.148 -5.625 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -2.027 16.490 -4.767 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -4.252 16.266 -5.273 1.00 0.00 N ATOM 0 H ARG A 143 2.405 12.685 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 143 0.957 12.362 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 143 0.957 14.282 -8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.415 13.309 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -1.424 13.571 -6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -0.036 14.500 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -0.697 16.388 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -1.284 15.497 -8.398 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.422 15.435 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -1.046 16.401 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.276 16.842 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.989 16.004 -5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -4.495 16.619 -4.347 1.00 0.00 H new ATOM 1248 N ASP A 144 0.905 10.015 -8.063 1.00 0.00 N ATOM 1249 CA ASP A 144 0.332 8.755 -8.503 1.00 0.00 C ATOM 1250 C ASP A 144 0.047 7.834 -7.321 1.00 0.00 C ATOM 1251 O ASP A 144 0.405 6.656 -7.338 1.00 0.00 O ATOM 1252 CB ASP A 144 1.291 8.072 -9.482 1.00 0.00 C ATOM 1253 CG ASP A 144 1.037 8.481 -10.920 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -0.135 8.735 -11.267 1.00 0.00 O ATOM 1255 OD2 ASP A 144 2.011 8.547 -11.699 1.00 0.00 O1- ATOM 0 H ASP A 144 1.924 10.016 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.615 8.962 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.318 8.319 -9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.189 6.991 -9.391 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.612 8.373 -6.301 1.00 0.00 N ATOM 1261 CA TRP A 145 -0.956 7.596 -5.126 1.00 0.00 C ATOM 1262 C TRP A 145 -2.067 6.612 -5.475 1.00 0.00 C ATOM 1263 O TRP A 145 -2.085 5.479 -4.999 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.359 8.538 -3.991 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.384 9.662 -3.805 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.895 9.718 -4.281 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.601 10.887 -3.095 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.486 10.901 -3.914 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.589 11.636 -3.184 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.684 11.424 -2.394 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.723 12.892 -2.599 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.550 12.671 -1.813 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.355 13.394 -1.918 1.00 0.00 C ATOM 0 H TRP A 145 -0.917 9.346 -6.269 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.096 7.019 -4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.347 8.949 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.437 7.971 -3.063 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.372 8.943 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.437 11.186 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.610 10.874 -2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.644 13.451 -2.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.381 13.095 -1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.282 14.366 -1.453 1.00 0.00 H new ATOM 1284 N ARG A 146 -2.961 7.045 -6.356 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.050 6.196 -6.833 1.00 0.00 C ATOM 1286 C ARG A 146 -3.466 4.987 -7.550 1.00 0.00 C ATOM 1287 O ARG A 146 -4.024 3.887 -7.517 1.00 0.00 O ATOM 1288 CB ARG A 146 -4.944 6.975 -7.804 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.169 7.786 -8.832 1.00 0.00 C ATOM 1290 CD ARG A 146 -4.722 9.196 -8.972 1.00 0.00 C ATOM 1291 NE ARG A 146 -3.660 10.197 -9.040 1.00 0.00 N ATOM 1292 CZ ARG A 146 -3.879 11.505 -9.142 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -5.119 11.976 -9.188 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -2.855 12.347 -9.198 1.00 0.00 N ATOM 0 H ARG A 146 -2.954 7.983 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.648 5.873 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.597 6.274 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.586 7.646 -7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.120 7.834 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.209 7.282 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -5.336 9.257 -9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -5.373 9.416 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 146 -2.693 9.874 -9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -5.910 11.334 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -5.281 12.980 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -1.900 11.991 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -3.023 13.350 -9.276 1.00 0.00 H new ATOM 1308 N THR A 147 -2.327 5.211 -8.192 1.00 0.00 N ATOM 1309 CA THR A 147 -1.637 4.162 -8.920 1.00 0.00 C ATOM 1310 C THR A 147 -0.983 3.194 -7.946 1.00 0.00 C ATOM 1311 O THR A 147 -0.768 2.027 -8.268 1.00 0.00 O ATOM 1312 CB THR A 147 -0.610 4.761 -9.890 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.682 4.794 -9.308 1.00 0.00 O ATOM 1314 CG2 THR A 147 -0.950 6.169 -10.333 1.00 0.00 C ATOM 0 H THR A 147 -1.861 6.118 -8.221 1.00 0.00 H new ATOM 0 HA THR A 147 -2.363 3.607 -9.514 1.00 0.00 H new ATOM 0 HB THR A 147 -0.631 4.107 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.655 5.320 -8.482 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.182 6.531 -11.017 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.916 6.168 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 147 -0.997 6.823 -9.462 1.00 0.00 H new ATOM 1322 N THR A 148 -0.701 3.679 -6.741 1.00 0.00 N ATOM 1323 CA THR A 148 -0.108 2.844 -5.710 1.00 0.00 C ATOM 1324 C THR A 148 -1.046 1.693 -5.374 1.00 0.00 C ATOM 1325 O THR A 148 -0.610 0.601 -5.008 1.00 0.00 O ATOM 1326 CB THR A 148 0.170 3.669 -4.452 1.00 0.00 C ATOM 1327 OG1 THR A 148 1.037 4.750 -4.739 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.790 2.864 -3.330 1.00 0.00 C ATOM 0 H THR A 148 -0.874 4.643 -6.458 1.00 0.00 H new ATOM 0 HA THR A 148 0.835 2.444 -6.083 1.00 0.00 H new ATOM 0 HB THR A 148 -0.806 4.026 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.739 5.200 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.960 3.511 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 148 0.117 2.054 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.740 2.446 -3.664 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.344 1.954 -5.507 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.356 0.953 -5.223 1.00 0.00 C ATOM 1338 C ALA A 149 -3.423 -0.091 -6.331 1.00 0.00 C ATOM 1339 O ALA A 149 -3.207 -1.277 -6.088 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.710 1.619 -5.025 1.00 0.00 C ATOM 0 H ALA A 149 -2.715 2.854 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.081 0.439 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.462 0.859 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.653 2.317 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.986 2.159 -5.931 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.722 0.355 -7.550 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.813 -0.555 -8.689 1.00 0.00 C ATOM 1348 C HIS A 150 -2.471 -1.219 -8.969 1.00 0.00 C ATOM 1349 O HIS A 150 -2.411 -2.409 -9.277 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.289 0.187 -9.935 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.722 -0.084 -10.281 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.119 -0.596 -11.499 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.855 0.090 -9.560 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.433 -0.724 -11.512 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.904 -0.316 -10.348 1.00 0.00 N ATOM 0 H HIS A 150 -3.904 1.334 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.538 -1.328 -8.436 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.156 1.258 -9.783 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.660 -0.096 -10.779 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.921 0.476 -8.553 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.023 -1.099 -12.335 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.887 -0.304 -10.078 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.394 -0.446 -8.864 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.056 -0.976 -9.113 1.00 0.00 C ATOM 1366 C ALA A 151 0.176 -2.257 -8.320 1.00 0.00 C ATOM 1367 O ALA A 151 0.668 -3.252 -8.853 1.00 0.00 O ATOM 1368 CB ALA A 151 1.004 0.059 -8.769 1.00 0.00 C ATOM 0 H ALA A 151 -1.420 0.542 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 151 0.022 -1.211 -10.175 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.993 -0.356 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.857 0.948 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.922 0.328 -7.716 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.191 -2.230 -7.044 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.033 -3.389 -6.181 1.00 0.00 C ATOM 1376 C LEU A 152 -0.876 -4.549 -6.678 1.00 0.00 C ATOM 1377 O LEU A 152 -0.446 -5.701 -6.652 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.426 -3.015 -4.760 1.00 0.00 C ATOM 1379 CG LEU A 152 0.729 -2.588 -3.861 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.827 -1.900 -4.667 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.227 -1.675 -2.757 1.00 0.00 C ATOM 0 H LEU A 152 -0.600 -1.416 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 152 1.010 -3.704 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.153 -2.204 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.927 -3.868 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 152 1.156 -3.483 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.638 -1.606 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.209 -2.587 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.420 -1.015 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.062 -1.378 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.228 -0.788 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.514 -2.203 -2.157 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.074 -4.234 -7.144 1.00 0.00 N ATOM 1394 CA LYS A 153 -2.978 -5.253 -7.674 1.00 0.00 C ATOM 1395 C LYS A 153 -2.253 -6.119 -8.702 1.00 0.00 C ATOM 1396 O LYS A 153 -2.620 -7.271 -8.933 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.202 -4.601 -8.323 1.00 0.00 C ATOM 1398 CG LYS A 153 -4.926 -3.621 -7.417 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.209 -3.114 -8.056 1.00 0.00 C ATOM 1400 CE LYS A 153 -6.892 -2.074 -7.184 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.251 -1.732 -7.687 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.446 -3.285 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.309 -5.880 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.888 -4.081 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.899 -5.382 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.157 -4.104 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.272 -2.778 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.985 -2.682 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.887 -3.950 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.967 -2.449 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.281 -1.172 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.530 -0.798 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.241 -1.711 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.932 -2.447 -7.361 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.214 -5.549 -9.312 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.422 -6.257 -10.312 1.00 0.00 C ATOM 1417 C TYR A 154 0.945 -6.644 -9.750 1.00 0.00 C ATOM 1418 O TYR A 154 1.887 -6.895 -10.500 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.243 -5.390 -11.559 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.531 -4.778 -12.061 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.439 -5.528 -12.799 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.841 -3.449 -11.797 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.617 -4.971 -13.260 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.016 -2.885 -12.254 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.901 -3.650 -12.985 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.073 -3.093 -13.442 1.00 0.00 O ATOM 0 H TYR A 154 -0.902 -4.595 -9.129 1.00 0.00 H new ATOM 0 HA TYR A 154 -0.956 -7.168 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.466 -4.592 -11.338 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.195 -5.996 -12.352 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.221 -6.563 -13.016 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.151 -2.847 -11.225 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.312 -5.568 -13.833 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.241 -1.851 -12.040 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.345 -2.366 -12.844 1.00 0.00 H new ATOM 1436 N SER A 155 1.041 -6.695 -8.425 1.00 0.00 N ATOM 1437 CA SER A 155 2.278 -7.053 -7.754 1.00 0.00 C ATOM 1438 C SER A 155 2.013 -8.147 -6.738 1.00 0.00 C ATOM 1439 O SER A 155 1.509 -7.888 -5.644 1.00 0.00 O ATOM 1440 CB SER A 155 2.889 -5.833 -7.070 1.00 0.00 C ATOM 1441 OG SER A 155 3.704 -5.104 -7.969 1.00 0.00 O ATOM 0 H SER A 155 0.267 -6.490 -7.793 1.00 0.00 H new ATOM 0 HA SER A 155 2.987 -7.420 -8.496 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.096 -5.190 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.481 -6.151 -6.212 1.00 0.00 H new ATOM 0 HG SER A 155 3.162 -4.430 -8.429 1.00 0.00 H new ATOM 1447 N VAL A 156 2.345 -9.371 -7.111 1.00 0.00 N ATOM 1448 CA VAL A 156 2.135 -10.509 -6.242 1.00 0.00 C ATOM 1449 C VAL A 156 3.336 -10.737 -5.334 1.00 0.00 C ATOM 1450 O VAL A 156 3.365 -11.689 -4.555 1.00 0.00 O ATOM 1451 CB VAL A 156 1.842 -11.772 -7.068 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.083 -12.231 -7.821 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.300 -12.882 -6.180 1.00 0.00 C ATOM 0 H VAL A 156 2.762 -9.599 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 156 1.271 -10.294 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 156 1.078 -11.525 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.849 -13.126 -8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.412 -11.441 -8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.878 -12.455 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.099 -13.766 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.035 -13.126 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.377 -12.550 -5.705 1.00 0.00 H new ATOM 1463 N VAL A 157 4.321 -9.845 -5.425 1.00 0.00 N ATOM 1464 CA VAL A 157 5.506 -9.944 -4.595 1.00 0.00 C ATOM 1465 C VAL A 157 5.118 -9.822 -3.129 1.00 0.00 C ATOM 1466 O VAL A 157 5.712 -10.456 -2.257 1.00 0.00 O ATOM 1467 CB VAL A 157 6.537 -8.854 -4.943 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.814 -9.047 -4.139 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.830 -8.857 -6.436 1.00 0.00 C ATOM 0 H VAL A 157 4.316 -9.051 -6.065 1.00 0.00 H new ATOM 0 HA VAL A 157 5.963 -10.916 -4.783 1.00 0.00 H new ATOM 0 HB VAL A 157 6.116 -7.883 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.529 -8.267 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.586 -8.990 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.243 -10.023 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.560 -8.081 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.230 -9.829 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.910 -8.664 -6.988 1.00 0.00 H new ATOM 1479 N LEU A 158 4.096 -9.010 -2.874 1.00 0.00 N ATOM 1480 CA LEU A 158 3.591 -8.806 -1.525 1.00 0.00 C ATOM 1481 C LEU A 158 2.186 -9.388 -1.424 1.00 0.00 C ATOM 1482 O LEU A 158 1.544 -9.639 -2.444 1.00 0.00 O ATOM 1483 CB LEU A 158 3.553 -7.309 -1.180 1.00 0.00 C ATOM 1484 CG LEU A 158 4.910 -6.597 -1.106 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.675 -7.012 0.142 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.735 -6.868 -2.354 1.00 0.00 C ATOM 0 H LEU A 158 3.600 -8.481 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 158 4.255 -9.307 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.940 -6.801 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.051 -7.191 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 158 4.721 -5.525 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.633 -6.493 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.095 -6.752 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.846 -8.088 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.692 -6.352 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.907 -7.940 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.198 -6.506 -3.231 1.00 0.00 H new ATOM 1498 N GLU A 159 1.698 -9.586 -0.207 1.00 0.00 N ATOM 1499 CA GLU A 159 0.357 -10.118 -0.024 1.00 0.00 C ATOM 1500 C GLU A 159 -0.609 -8.965 0.221 1.00 0.00 C ATOM 1501 O GLU A 159 -0.553 -8.305 1.250 1.00 0.00 O ATOM 1502 CB GLU A 159 0.328 -11.122 1.138 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.046 -11.315 1.760 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.074 -11.811 0.763 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.243 -11.161 -0.290 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.710 -12.852 1.033 1.00 0.00 O1- ATOM 0 H GLU A 159 2.203 -9.389 0.657 1.00 0.00 H new ATOM 0 HA GLU A 159 0.051 -10.651 -0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.691 -12.085 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 159 1.020 -10.787 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -0.971 -12.026 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.384 -10.370 2.185 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.471 -8.717 -0.750 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.436 -7.626 -0.674 1.00 0.00 C ATOM 1515 C LEU A 160 -3.762 -8.092 -0.089 1.00 0.00 C ATOM 1516 O LEU A 160 -4.143 -9.249 -0.274 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.688 -7.095 -2.089 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.750 -6.003 -2.599 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.448 -4.650 -2.600 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.456 -5.971 -1.794 1.00 0.00 C ATOM 0 H LEU A 160 -1.524 -9.262 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.026 -6.851 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.636 -7.936 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.708 -6.712 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.482 -6.236 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.762 -3.887 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.323 -4.693 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.759 -4.401 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.193 -5.184 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.684 -5.773 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.050 -6.933 -1.880 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.512 -7.189 0.564 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.820 -7.593 1.069 1.00 0.00 C ATOM 1534 C ASN A 161 -6.661 -7.850 -0.147 1.00 0.00 C ATOM 1535 O ASN A 161 -6.360 -7.254 -1.180 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.483 -6.520 1.937 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.926 -6.852 2.270 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.838 -6.557 1.497 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.139 -7.468 3.427 1.00 0.00 N ATOM 0 H ASN A 161 -4.247 -6.221 0.745 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.715 -8.469 1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.917 -6.405 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.444 -5.562 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.088 -7.716 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.353 -7.693 4.037 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.675 -8.721 0.020 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.592 -9.206 -1.026 1.00 0.00 C ATOM 1548 C GLU A 162 -8.971 -8.215 -2.112 1.00 0.00 C ATOM 1549 O GLU A 162 -8.807 -8.515 -3.296 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.869 -9.701 -0.357 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.711 -10.565 -1.266 1.00 0.00 C ATOM 1552 CD GLU A 162 -12.176 -10.175 -1.258 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.471 -8.978 -1.056 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -13.029 -11.065 -1.454 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.886 -9.124 0.933 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.038 -9.989 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.609 -10.268 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -10.458 -8.844 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.327 -10.495 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.616 -11.607 -0.960 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.442 -7.049 -1.751 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.790 -6.061 -2.762 1.00 0.00 C ATOM 1563 C ASP A 163 -8.527 -5.307 -3.102 1.00 0.00 C ATOM 1564 O ASP A 163 -8.550 -4.115 -3.411 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.872 -5.106 -2.249 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.026 -4.965 -3.222 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.299 -5.932 -3.964 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -12.657 -3.888 -3.242 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.594 -6.756 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.196 -6.550 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.249 -5.468 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.431 -4.126 -2.067 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.407 -6.023 -2.957 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.090 -5.471 -3.147 1.00 0.00 C ATOM 1575 C HIS A 164 -6.051 -4.089 -2.553 1.00 0.00 C ATOM 1576 O HIS A 164 -5.364 -3.185 -3.026 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.663 -5.519 -4.602 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.511 -6.930 -5.071 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.272 -7.279 -6.382 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.567 -8.095 -4.373 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.189 -8.596 -6.475 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.363 -9.113 -5.271 1.00 0.00 N ATOM 0 H HIS A 164 -7.405 -7.011 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.355 -6.081 -2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.401 -5.005 -5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.719 -4.988 -4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.739 -8.200 -3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -5.009 -9.155 -7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.348 -10.108 -5.046 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.809 -3.975 -1.470 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.909 -2.760 -0.724 1.00 0.00 C ATOM 1593 C ARG A 165 -5.813 -2.722 0.299 1.00 0.00 C ATOM 1594 O ARG A 165 -5.507 -1.654 0.832 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.270 -2.642 -0.031 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.856 -3.971 0.422 1.00 0.00 C ATOM 1597 CD ARG A 165 -9.748 -3.799 1.638 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.884 -2.920 1.365 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.702 -2.453 2.305 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -11.515 -2.776 3.579 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -12.710 -1.659 1.970 1.00 0.00 N ATOM 0 H ARG A 165 -7.371 -4.739 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.810 -1.920 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.169 -1.988 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.972 -2.162 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.430 -4.413 -0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -8.049 -4.665 0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -10.113 -4.774 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -9.163 -3.390 2.462 1.00 0.00 H new ATOM 0 HE ARG A 165 -11.060 -2.649 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -10.741 -3.386 3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -12.146 -2.415 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -12.858 -1.407 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -13.338 -1.300 2.690 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.193 -3.875 0.590 1.00 0.00 N ATOM 1616 CA LYS A 166 -4.115 -3.823 1.586 1.00 0.00 C ATOM 1617 C LYS A 166 -2.870 -4.550 1.133 1.00 0.00 C ATOM 1618 O LYS A 166 -2.837 -5.128 0.054 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.576 -4.351 2.946 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.526 -3.407 3.669 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.837 -4.085 4.035 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.644 -5.120 5.131 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.932 -5.745 5.540 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.397 -4.789 0.186 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.856 -2.770 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -5.068 -5.313 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.703 -4.528 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.046 -3.034 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -5.729 -2.543 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -7.556 -3.335 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -7.259 -4.564 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -5.960 -5.894 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.178 -4.649 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.782 -6.756 5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.287 -5.278 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.628 -5.638 4.775 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.846 -4.506 1.973 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.587 -5.161 1.678 1.00 0.00 C ATOM 1639 C VAL A 167 0.056 -5.676 2.955 1.00 0.00 C ATOM 1640 O VAL A 167 0.773 -4.963 3.651 1.00 0.00 O ATOM 1641 CB VAL A 167 0.380 -4.239 0.900 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.444 -2.848 1.518 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.771 -4.852 0.809 1.00 0.00 C ATOM 0 H VAL A 167 -1.867 -4.019 2.869 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.803 -6.011 1.030 1.00 0.00 H new ATOM 0 HB VAL A 167 -0.013 -4.137 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.133 -2.227 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.548 -2.397 1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.793 -2.923 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.429 -4.181 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.168 -5.004 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.713 -5.810 0.293 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.227 -6.930 3.248 1.00 0.00 N ATOM 1654 CA ARG A 168 0.305 -7.586 4.439 1.00 0.00 C ATOM 1655 C ARG A 168 1.406 -8.573 4.066 1.00 0.00 C ATOM 1656 O ARG A 168 1.499 -9.003 2.918 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.812 -8.317 5.187 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.403 -8.802 6.569 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.507 -9.607 7.234 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.125 -11.006 7.424 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.699 -11.820 8.307 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -2.681 -11.382 9.086 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.289 -13.077 8.412 1.00 0.00 N ATOM 0 H ARG A 168 -0.827 -7.524 2.676 1.00 0.00 H new ATOM 0 HA ARG A 168 0.728 -6.819 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.669 -7.651 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.137 -9.171 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.495 -9.414 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.150 -7.946 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.749 -9.163 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.410 -9.557 6.625 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.373 -11.380 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.000 -10.416 9.010 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -3.116 -12.011 9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -0.535 -13.419 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -1.728 -13.702 9.088 1.00 0.00 H new ATOM 1677 N ARG A 169 2.235 -8.932 5.041 1.00 0.00 N ATOM 1678 CA ARG A 169 3.321 -9.878 4.808 1.00 0.00 C ATOM 1679 C ARG A 169 3.005 -11.227 5.445 1.00 0.00 C ATOM 1680 O ARG A 169 2.725 -11.309 6.641 1.00 0.00 O ATOM 1681 CB ARG A 169 4.637 -9.332 5.365 1.00 0.00 C ATOM 1682 CG ARG A 169 5.564 -8.773 4.298 1.00 0.00 C ATOM 1683 CD ARG A 169 6.278 -9.883 3.544 1.00 0.00 C ATOM 1684 NE ARG A 169 5.563 -10.270 2.329 1.00 0.00 N ATOM 1685 CZ ARG A 169 6.061 -11.087 1.404 1.00 0.00 C ATOM 1686 NH1 ARG A 169 7.275 -11.603 1.549 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 5.343 -11.389 0.331 1.00 0.00 N ATOM 0 H ARG A 169 2.176 -8.583 5.998 1.00 0.00 H new ATOM 0 HA ARG A 169 3.425 -10.016 3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.418 -8.549 6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.153 -10.128 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 169 4.990 -8.166 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 169 6.299 -8.115 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.284 -9.555 3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 169 6.385 -10.752 4.194 1.00 0.00 H new ATOM 0 HE ARG A 169 4.627 -9.892 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 169 7.831 -11.374 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 169 7.652 -12.229 0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 169 4.409 -10.995 0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 169 5.724 -12.015 -0.378 1.00 0.00 H new ATOM 1701 N THR A 170 3.051 -12.282 4.641 1.00 0.00 N ATOM 1702 CA THR A 170 2.770 -13.628 5.131 1.00 0.00 C ATOM 1703 C THR A 170 4.005 -14.260 5.771 1.00 0.00 C ATOM 1704 O THR A 170 3.933 -15.360 6.320 1.00 0.00 O ATOM 1705 CB THR A 170 2.263 -14.514 3.999 1.00 0.00 C ATOM 1706 OG1 THR A 170 2.245 -15.875 4.393 1.00 0.00 O ATOM 1707 CG2 THR A 170 3.106 -14.405 2.760 1.00 0.00 C ATOM 0 H THR A 170 3.280 -12.233 3.648 1.00 0.00 H new ATOM 0 HA THR A 170 1.996 -13.544 5.894 1.00 0.00 H new ATOM 0 HB THR A 170 1.256 -14.163 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 170 2.547 -15.951 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 170 2.701 -15.056 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.101 -13.374 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.129 -14.706 2.988 1.00 0.00 H new ATOM 1715 N THR A 171 5.137 -13.563 5.701 1.00 0.00 N ATOM 1716 CA THR A 171 6.379 -14.067 6.274 1.00 0.00 C ATOM 1717 C THR A 171 7.358 -12.925 6.547 1.00 0.00 C ATOM 1718 O THR A 171 8.372 -12.789 5.863 1.00 0.00 O ATOM 1719 CB THR A 171 7.019 -15.085 5.331 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.250 -15.551 5.855 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.287 -14.527 3.952 1.00 0.00 C ATOM 0 H THR A 171 5.218 -12.650 5.254 1.00 0.00 H new ATOM 0 HA THR A 171 6.143 -14.553 7.221 1.00 0.00 H new ATOM 0 HB THR A 171 6.297 -15.897 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.643 -16.203 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.742 -15.298 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.349 -14.204 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.964 -13.676 4.029 1.00 0.00 H new ATOM 1729 N PRO A 172 7.066 -12.087 7.555 1.00 0.00 N ATOM 1730 CA PRO A 172 7.928 -10.956 7.915 1.00 0.00 C ATOM 1731 C PRO A 172 9.298 -11.411 8.402 1.00 0.00 C ATOM 1732 O PRO A 172 9.428 -12.462 9.031 1.00 0.00 O ATOM 1733 CB PRO A 172 7.163 -10.258 9.043 1.00 0.00 C ATOM 1734 CG PRO A 172 6.243 -11.297 9.587 1.00 0.00 C ATOM 1735 CD PRO A 172 5.880 -12.176 8.423 1.00 0.00 C ATOM 0 HA PRO A 172 8.126 -10.309 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.842 -9.891 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.609 -9.397 8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 172 6.727 -11.873 10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.355 -10.842 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.686 -13.202 8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.982 -11.823 7.916 1.00 0.00 H new