USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 78 THR OG1 : rot -173:sc= -4.95! USER MOD Set 1.2: A 80 GLN : amide:sc= 0.88 K(o=-7.9,f=-9.9!) USER MOD Set 1.3: A 81 GLN : amide:sc= -3.84! C(o=-7.9!,f=-9.9!) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.105 K(o=-0.59,f=-1.1) USER MOD Set 2.2: A 100 ASN : amide:sc= -0.481 X(o=-0.59,f=-0.53) USER MOD Set 3.1: A 35 SER OG : rot 180:sc= 0.00538 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 22 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-3.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= -3.03! (180deg=-6.36!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 53 SER OG : rot -100:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-0.98) USER MOD Single : A 57 GLN : amide:sc= -0.875 K(o=-0.87,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.73 K(o=-3.7,f=-6.7!) USER MOD Single : A 73 ASN : amide:sc= -0.311 K(o=-0.31,f=-3!) USER MOD Single : A 76 SER OG : rot -62:sc= 0.15 USER MOD Single : A 88 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.8!) USER MOD Single : A 89 GLN : amide:sc= -3.68! C(o=-3.7!,f=-2.4!) USER MOD Single : A 90 CYS SG : rot 43:sc= 0.314 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -2.261 -9.332 -0.813 1.00 0.00 N ATOM 230 CA VAL A 17 -1.652 -8.086 -0.378 1.00 0.00 C ATOM 231 C VAL A 17 -2.621 -7.346 0.547 1.00 0.00 C ATOM 232 O VAL A 17 -3.834 -7.399 0.352 1.00 0.00 O ATOM 233 CB VAL A 17 -1.233 -7.256 -1.592 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.454 -6.668 -2.302 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.249 -6.155 -1.191 1.00 0.00 C ATOM 0 HA VAL A 17 -0.744 -8.283 0.192 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.726 -7.920 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.128 -6.082 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.103 -7.476 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.002 -6.026 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.033 -5.580 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.719 -5.495 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.641 -6.605 -0.752 1.00 0.00 H new ATOM 245 N GLU A 18 -2.048 -6.673 1.535 1.00 0.00 N ATOM 246 CA GLU A 18 -2.846 -5.923 2.490 1.00 0.00 C ATOM 247 C GLU A 18 -4.015 -5.236 1.782 1.00 0.00 C ATOM 248 O GLU A 18 -3.819 -4.268 1.049 1.00 0.00 O ATOM 249 CB GLU A 18 -1.986 -4.906 3.243 1.00 0.00 C ATOM 250 CG GLU A 18 -0.684 -5.543 3.732 1.00 0.00 C ATOM 251 CD GLU A 18 -0.162 -4.833 4.983 1.00 0.00 C ATOM 252 OE1 GLU A 18 -1.003 -4.532 5.857 1.00 0.00 O ATOM 253 OE2 GLU A 18 1.066 -4.607 5.036 1.00 0.00 O ATOM 0 H GLU A 18 -1.041 -6.632 1.694 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.251 -6.621 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.760 -4.062 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.543 -4.512 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.851 -6.598 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.067 -5.496 2.943 1.00 0.00 H new ATOM 260 N GLU A 19 -5.206 -5.764 2.025 1.00 0.00 N ATOM 261 CA GLU A 19 -6.406 -5.214 1.420 1.00 0.00 C ATOM 262 C GLU A 19 -6.366 -3.685 1.457 1.00 0.00 C ATOM 263 O GLU A 19 -5.753 -3.098 2.347 1.00 0.00 O ATOM 264 CB GLU A 19 -7.663 -5.746 2.112 1.00 0.00 C ATOM 265 CG GLU A 19 -7.915 -7.209 1.741 1.00 0.00 C ATOM 266 CD GLU A 19 -8.315 -8.026 2.971 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.483 -7.882 3.393 1.00 0.00 O ATOM 268 OE2 GLU A 19 -7.444 -8.776 3.462 1.00 0.00 O ATOM 0 H GLU A 19 -5.365 -6.567 2.633 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.442 -5.532 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.554 -5.655 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.524 -5.141 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.703 -7.267 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.016 -7.634 1.294 1.00 0.00 H new ATOM 275 N PRO A 20 -7.045 -3.068 0.453 1.00 0.00 N ATOM 276 CA PRO A 20 -7.093 -1.618 0.362 1.00 0.00 C ATOM 277 C PRO A 20 -8.043 -1.034 1.410 1.00 0.00 C ATOM 278 O PRO A 20 -9.190 -1.463 1.520 1.00 0.00 O ATOM 279 CB PRO A 20 -7.531 -1.328 -1.064 1.00 0.00 C ATOM 280 CG PRO A 20 -8.159 -2.613 -1.577 1.00 0.00 C ATOM 281 CD PRO A 20 -7.783 -3.731 -0.618 1.00 0.00 C ATOM 0 HA PRO A 20 -6.131 -1.151 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.246 -0.505 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.682 -1.035 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.242 -2.511 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.803 -2.837 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.668 -4.238 -0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.172 -4.487 -1.111 1.00 0.00 H new ATOM 289 N ARG A 21 -7.528 -0.066 2.154 1.00 0.00 N ATOM 290 CA ARG A 21 -8.316 0.581 3.189 1.00 0.00 C ATOM 291 C ARG A 21 -8.740 1.980 2.737 1.00 0.00 C ATOM 292 O ARG A 21 -8.239 2.492 1.737 1.00 0.00 O ATOM 293 CB ARG A 21 -7.526 0.692 4.495 1.00 0.00 C ATOM 294 CG ARG A 21 -6.480 1.806 4.409 1.00 0.00 C ATOM 295 CD ARG A 21 -5.392 1.618 5.469 1.00 0.00 C ATOM 296 NE ARG A 21 -4.913 0.218 5.460 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.996 -0.256 4.606 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.454 0.554 3.686 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.621 -1.541 4.671 1.00 0.00 N ATOM 0 H ARG A 21 -6.575 0.286 2.061 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.200 -0.032 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.208 0.892 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.035 -0.257 4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.029 1.811 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.962 2.774 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.561 2.296 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.785 1.870 6.454 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.305 -0.426 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.740 1.532 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.756 0.193 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.034 -2.158 5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.923 -1.902 4.021 1.00 0.00 H new ATOM 313 N HIS A 22 -9.658 2.560 3.497 1.00 0.00 N ATOM 314 CA HIS A 22 -10.155 3.890 3.187 1.00 0.00 C ATOM 315 C HIS A 22 -9.808 4.846 4.330 1.00 0.00 C ATOM 316 O HIS A 22 -10.416 4.789 5.398 1.00 0.00 O ATOM 317 CB HIS A 22 -11.653 3.852 2.879 1.00 0.00 C ATOM 318 CG HIS A 22 -12.075 2.682 2.024 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.717 1.376 2.310 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.829 2.634 0.888 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.236 0.587 1.381 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.925 1.368 0.501 1.00 0.00 N ATOM 0 H HIS A 22 -10.070 2.133 4.327 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.668 4.264 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.206 3.821 3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.933 4.777 2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.273 3.482 0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.132 -0.487 1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.431 1.034 -0.319 1.00 0.00 H new ATOM 330 N VAL A 23 -8.832 5.703 4.066 1.00 0.00 N ATOM 331 CA VAL A 23 -8.397 6.670 5.059 1.00 0.00 C ATOM 332 C VAL A 23 -9.018 8.033 4.743 1.00 0.00 C ATOM 333 O VAL A 23 -8.733 8.622 3.702 1.00 0.00 O ATOM 334 CB VAL A 23 -6.869 6.709 5.118 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.382 7.904 5.939 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.309 5.397 5.672 1.00 0.00 C ATOM 0 H VAL A 23 -8.331 5.747 3.179 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.740 6.378 6.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.497 6.829 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.292 7.908 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.737 8.828 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.769 7.829 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.221 5.450 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.694 5.233 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.613 4.571 5.029 1.00 0.00 H new ATOM 346 N LYS A 24 -9.854 8.494 5.662 1.00 0.00 N ATOM 347 CA LYS A 24 -10.517 9.776 5.494 1.00 0.00 C ATOM 348 C LYS A 24 -9.519 10.901 5.772 1.00 0.00 C ATOM 349 O LYS A 24 -8.507 10.689 6.439 1.00 0.00 O ATOM 350 CB LYS A 24 -11.777 9.844 6.359 1.00 0.00 C ATOM 351 CG LYS A 24 -12.997 9.329 5.593 1.00 0.00 C ATOM 352 CD LYS A 24 -14.259 9.408 6.454 1.00 0.00 C ATOM 353 CE LYS A 24 -15.411 10.053 5.680 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.699 9.802 6.364 1.00 0.00 N ATOM 0 H LYS A 24 -10.087 8.003 6.525 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.857 9.898 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.634 9.252 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.950 10.873 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.135 9.916 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.828 8.298 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.547 8.407 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.053 9.986 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.242 11.126 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.446 9.652 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.470 10.246 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.865 8.777 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.668 10.206 7.322 1.00 0.00 H new ATOM 368 N VAL A 25 -9.837 12.075 5.246 1.00 0.00 N ATOM 369 CA VAL A 25 -8.981 13.234 5.428 1.00 0.00 C ATOM 370 C VAL A 25 -9.838 14.440 5.818 1.00 0.00 C ATOM 371 O VAL A 25 -10.900 14.665 5.238 1.00 0.00 O ATOM 372 CB VAL A 25 -8.149 13.475 4.167 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.135 14.599 4.385 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.454 12.189 3.715 1.00 0.00 C ATOM 0 H VAL A 25 -10.677 12.248 4.693 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.274 13.062 6.239 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.827 13.786 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.557 14.749 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.661 15.520 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.463 14.330 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.869 12.388 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.794 11.835 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.203 11.427 3.499 1.00 0.00 H new ATOM 384 N GLN A 26 -9.346 15.184 6.797 1.00 0.00 N ATOM 385 CA GLN A 26 -10.054 16.361 7.271 1.00 0.00 C ATOM 386 C GLN A 26 -9.284 17.630 6.898 1.00 0.00 C ATOM 387 O GLN A 26 -8.703 18.285 7.763 1.00 0.00 O ATOM 388 CB GLN A 26 -10.292 16.288 8.781 1.00 0.00 C ATOM 389 CG GLN A 26 -11.766 16.024 9.091 1.00 0.00 C ATOM 390 CD GLN A 26 -12.210 16.793 10.338 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.409 17.321 11.091 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.528 16.827 10.512 1.00 0.00 N ATOM 0 H GLN A 26 -8.465 14.995 7.275 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.029 16.394 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.679 15.497 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.980 17.222 9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.379 16.319 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.924 14.956 9.242 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.143 16.364 9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.924 17.317 11.314 1.00 0.00 H new ATOM 401 N LYS A 27 -9.304 17.939 5.610 1.00 0.00 N ATOM 402 CA LYS A 27 -8.614 19.117 5.112 1.00 0.00 C ATOM 403 C LYS A 27 -9.236 20.368 5.737 1.00 0.00 C ATOM 404 O LYS A 27 -8.744 20.872 6.746 1.00 0.00 O ATOM 405 CB LYS A 27 -8.612 19.130 3.582 1.00 0.00 C ATOM 406 CG LYS A 27 -7.183 19.120 3.036 1.00 0.00 C ATOM 407 CD LYS A 27 -6.663 17.689 2.887 1.00 0.00 C ATOM 408 CE LYS A 27 -6.439 17.338 1.414 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.885 15.954 1.138 1.00 0.00 N ATOM 0 H LYS A 27 -9.787 17.394 4.896 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.565 19.099 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.155 18.262 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.137 20.015 3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.156 19.623 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.530 19.680 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.729 17.579 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.376 16.991 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.986 18.036 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.383 17.443 1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.438 15.936 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.055 15.335 1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.476 15.616 1.924 1.00 0.00 H new ATOM 423 N GLY A 28 -10.307 20.833 5.111 1.00 0.00 N ATOM 424 CA GLY A 28 -11.000 22.016 5.593 1.00 0.00 C ATOM 425 C GLY A 28 -10.282 23.292 5.149 1.00 0.00 C ATOM 426 O GLY A 28 -9.937 24.134 5.977 1.00 0.00 O ATOM 0 H GLY A 28 -10.712 20.412 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.023 22.021 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.060 21.988 6.681 1.00 0.00 H new ATOM 430 N SER A 29 -10.077 23.394 3.844 1.00 0.00 N ATOM 431 CA SER A 29 -9.406 24.553 3.281 1.00 0.00 C ATOM 432 C SER A 29 -7.933 24.557 3.694 1.00 0.00 C ATOM 433 O SER A 29 -7.394 25.595 4.075 1.00 0.00 O ATOM 434 CB SER A 29 -10.084 25.851 3.722 1.00 0.00 C ATOM 435 OG SER A 29 -10.853 26.435 2.674 1.00 0.00 O ATOM 0 H SER A 29 -10.364 22.693 3.161 1.00 0.00 H new ATOM 0 HA SER A 29 -9.472 24.492 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.730 25.650 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.327 26.561 4.055 1.00 0.00 H new ATOM 0 HG SER A 29 -11.271 27.261 2.996 1.00 0.00 H new ATOM 441 N GLU A 30 -7.323 23.384 3.606 1.00 0.00 N ATOM 442 CA GLU A 30 -5.923 23.239 3.966 1.00 0.00 C ATOM 443 C GLU A 30 -5.240 22.226 3.045 1.00 0.00 C ATOM 444 O GLU A 30 -5.902 21.377 2.450 1.00 0.00 O ATOM 445 CB GLU A 30 -5.773 22.834 5.433 1.00 0.00 C ATOM 446 CG GLU A 30 -5.952 24.041 6.356 1.00 0.00 C ATOM 447 CD GLU A 30 -7.153 23.848 7.285 1.00 0.00 C ATOM 448 OE1 GLU A 30 -7.354 22.694 7.720 1.00 0.00 O ATOM 449 OE2 GLU A 30 -7.842 24.859 7.539 1.00 0.00 O ATOM 0 H GLU A 30 -7.773 22.525 3.290 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.434 24.205 3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.510 22.070 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.790 22.392 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.049 24.187 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.091 24.942 5.759 1.00 0.00 H new ATOM 456 N PRO A 31 -3.889 22.352 2.953 1.00 0.00 N ATOM 457 CA PRO A 31 -3.109 21.457 2.115 1.00 0.00 C ATOM 458 C PRO A 31 -2.971 20.079 2.764 1.00 0.00 C ATOM 459 O PRO A 31 -3.329 19.898 3.927 1.00 0.00 O ATOM 460 CB PRO A 31 -1.775 22.160 1.925 1.00 0.00 C ATOM 461 CG PRO A 31 -1.686 23.194 3.035 1.00 0.00 C ATOM 462 CD PRO A 31 -3.071 23.345 3.643 1.00 0.00 C ATOM 0 HA PRO A 31 -3.583 21.262 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.949 21.452 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.719 22.634 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.969 22.880 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.336 24.148 2.641 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.053 23.166 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.461 24.352 3.494 1.00 0.00 H new ATOM 470 N LEU A 32 -2.452 19.142 1.984 1.00 0.00 N ATOM 471 CA LEU A 32 -2.263 17.785 2.468 1.00 0.00 C ATOM 472 C LEU A 32 -0.907 17.683 3.170 1.00 0.00 C ATOM 473 O LEU A 32 -0.834 17.286 4.332 1.00 0.00 O ATOM 474 CB LEU A 32 -2.443 16.780 1.329 1.00 0.00 C ATOM 475 CG LEU A 32 -2.735 15.337 1.747 1.00 0.00 C ATOM 476 CD1 LEU A 32 -3.946 15.272 2.681 1.00 0.00 C ATOM 477 CD2 LEU A 32 -2.906 14.435 0.523 1.00 0.00 C ATOM 0 H LEU A 32 -2.156 19.296 1.020 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.025 17.534 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.258 17.125 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.539 16.785 0.720 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.877 14.962 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.132 14.236 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.747 15.862 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.822 15.672 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.113 13.415 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.736 14.798 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.991 14.448 -0.070 1.00 0.00 H new ATOM 489 N GLY A 33 0.133 18.048 2.434 1.00 0.00 N ATOM 490 CA GLY A 33 1.482 18.003 2.971 1.00 0.00 C ATOM 491 C GLY A 33 2.069 16.594 2.861 1.00 0.00 C ATOM 492 O GLY A 33 2.371 15.963 3.873 1.00 0.00 O ATOM 0 H GLY A 33 0.068 18.376 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.115 18.708 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.472 18.316 4.015 1.00 0.00 H new ATOM 496 N ILE A 34 2.213 16.143 1.624 1.00 0.00 N ATOM 497 CA ILE A 34 2.758 14.820 1.368 1.00 0.00 C ATOM 498 C ILE A 34 3.410 14.801 -0.015 1.00 0.00 C ATOM 499 O ILE A 34 2.968 15.503 -0.924 1.00 0.00 O ATOM 500 CB ILE A 34 1.680 13.751 1.555 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.501 13.990 0.610 1.00 0.00 C ATOM 502 CG2 ILE A 34 1.235 13.670 3.017 1.00 0.00 C ATOM 503 CD1 ILE A 34 0.268 12.778 -0.294 1.00 0.00 C ATOM 0 H ILE A 34 1.962 16.670 0.788 1.00 0.00 H new ATOM 0 HA ILE A 34 3.538 14.583 2.092 1.00 0.00 H new ATOM 0 HB ILE A 34 2.110 12.784 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.399 14.194 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.693 14.872 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.468 12.902 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.090 13.417 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.829 14.633 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.576 12.974 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.161 12.592 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.052 11.903 0.319 1.00 0.00 H new ATOM 515 N SER A 35 4.451 13.989 -0.133 1.00 0.00 N ATOM 516 CA SER A 35 5.168 13.869 -1.391 1.00 0.00 C ATOM 517 C SER A 35 4.691 12.629 -2.149 1.00 0.00 C ATOM 518 O SER A 35 4.423 11.592 -1.544 1.00 0.00 O ATOM 519 CB SER A 35 6.679 13.801 -1.159 1.00 0.00 C ATOM 520 OG SER A 35 7.415 14.181 -2.318 1.00 0.00 O ATOM 0 H SER A 35 4.815 13.408 0.622 1.00 0.00 H new ATOM 0 HA SER A 35 4.959 14.755 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.948 14.454 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.956 12.787 -0.870 1.00 0.00 H new ATOM 0 HG SER A 35 8.375 14.126 -2.129 1.00 0.00 H new ATOM 526 N ILE A 36 4.600 12.776 -3.462 1.00 0.00 N ATOM 527 CA ILE A 36 4.160 11.681 -4.310 1.00 0.00 C ATOM 528 C ILE A 36 5.116 11.544 -5.496 1.00 0.00 C ATOM 529 O ILE A 36 5.779 12.507 -5.878 1.00 0.00 O ATOM 530 CB ILE A 36 2.698 11.872 -4.717 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.542 13.074 -5.652 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.796 11.983 -3.486 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.514 12.629 -7.115 1.00 0.00 C ATOM 0 H ILE A 36 4.824 13.638 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 36 4.193 10.739 -3.763 1.00 0.00 H new ATOM 0 HB ILE A 36 2.379 10.989 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.623 13.609 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.366 13.771 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.762 12.118 -3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.877 11.073 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.105 12.837 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.402 13.502 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.445 12.116 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.675 11.952 -7.273 1.00 0.00 H new ATOM 545 N VAL A 37 5.157 10.339 -6.046 1.00 0.00 N ATOM 546 CA VAL A 37 6.021 10.064 -7.182 1.00 0.00 C ATOM 547 C VAL A 37 5.303 9.117 -8.145 1.00 0.00 C ATOM 548 O VAL A 37 4.438 8.345 -7.734 1.00 0.00 O ATOM 549 CB VAL A 37 7.365 9.517 -6.696 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.947 10.397 -5.589 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.230 8.066 -6.230 1.00 0.00 C ATOM 0 H VAL A 37 4.606 9.542 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 37 6.237 10.982 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 37 8.058 9.535 -7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.902 9.986 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.098 11.407 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.256 10.426 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.199 7.701 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.514 8.012 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.881 7.449 -7.058 1.00 0.00 H new ATOM 561 N SER A 38 5.688 9.207 -9.410 1.00 0.00 N ATOM 562 CA SER A 38 5.091 8.368 -10.436 1.00 0.00 C ATOM 563 C SER A 38 6.126 7.372 -10.963 1.00 0.00 C ATOM 564 O SER A 38 7.315 7.679 -11.021 1.00 0.00 O ATOM 565 CB SER A 38 4.535 9.213 -11.583 1.00 0.00 C ATOM 566 OG SER A 38 4.419 8.464 -12.790 1.00 0.00 O ATOM 0 H SER A 38 6.406 9.848 -9.748 1.00 0.00 H new ATOM 0 HA SER A 38 4.261 7.819 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.557 9.605 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.186 10.071 -11.750 1.00 0.00 H new ATOM 0 HG SER A 38 4.059 9.038 -13.498 1.00 0.00 H new ATOM 572 N GLY A 39 5.635 6.199 -11.335 1.00 0.00 N ATOM 573 CA GLY A 39 6.501 5.155 -11.855 1.00 0.00 C ATOM 574 C GLY A 39 6.549 5.194 -13.384 1.00 0.00 C ATOM 575 O GLY A 39 6.954 4.223 -14.021 1.00 0.00 O ATOM 0 H GLY A 39 4.647 5.949 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.507 5.278 -11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.142 4.181 -11.524 1.00 0.00 H new ATOM 623 N GLY A 43 0.687 4.810 -11.792 1.00 0.00 N ATOM 624 CA GLY A 43 0.605 4.615 -10.355 1.00 0.00 C ATOM 625 C GLY A 43 1.351 5.724 -9.608 1.00 0.00 C ATOM 626 O GLY A 43 2.316 6.285 -10.125 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.440 4.602 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.028 3.646 -10.091 1.00 0.00 H new ATOM 630 N ILE A 44 0.875 6.006 -8.405 1.00 0.00 N ATOM 631 CA ILE A 44 1.484 7.038 -7.582 1.00 0.00 C ATOM 632 C ILE A 44 1.905 6.432 -6.242 1.00 0.00 C ATOM 633 O ILE A 44 1.166 5.646 -5.652 1.00 0.00 O ATOM 634 CB ILE A 44 0.545 8.238 -7.446 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.120 8.760 -8.820 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.179 9.335 -6.588 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.283 9.462 -9.524 1.00 0.00 C ATOM 0 H ILE A 44 0.075 5.538 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 44 2.387 7.421 -8.057 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.358 7.909 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.235 7.932 -9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.714 9.453 -8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.491 10.177 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.391 8.942 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.107 9.669 -7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.954 9.823 -10.498 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.619 10.304 -8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.106 8.759 -9.657 1.00 0.00 H new ATOM 649 N TYR A 45 3.092 6.821 -5.800 1.00 0.00 N ATOM 650 CA TYR A 45 3.621 6.326 -4.541 1.00 0.00 C ATOM 651 C TYR A 45 4.113 7.479 -3.662 1.00 0.00 C ATOM 652 O TYR A 45 4.817 8.369 -4.137 1.00 0.00 O ATOM 653 CB TYR A 45 4.810 5.434 -4.904 1.00 0.00 C ATOM 654 CG TYR A 45 4.446 4.245 -5.795 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.302 4.422 -7.157 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.262 2.996 -5.239 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.960 3.303 -7.996 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.920 1.877 -6.078 1.00 0.00 C ATOM 659 CZ TYR A 45 3.786 2.086 -7.415 1.00 0.00 C ATOM 660 OH TYR A 45 3.462 1.029 -8.208 1.00 0.00 O ATOM 0 H TYR A 45 3.702 7.474 -6.292 1.00 0.00 H new ATOM 0 HA TYR A 45 2.851 5.790 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.563 6.038 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.265 5.061 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.446 5.400 -7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.375 2.857 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.844 3.427 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.773 0.894 -5.655 1.00 0.00 H new ATOM 0 HH TYR A 45 3.370 0.223 -7.658 1.00 0.00 H new ATOM 670 N VAL A 46 3.724 7.423 -2.397 1.00 0.00 N ATOM 671 CA VAL A 46 4.117 8.451 -1.448 1.00 0.00 C ATOM 672 C VAL A 46 5.643 8.503 -1.361 1.00 0.00 C ATOM 673 O VAL A 46 6.295 7.472 -1.202 1.00 0.00 O ATOM 674 CB VAL A 46 3.449 8.197 -0.095 1.00 0.00 C ATOM 675 CG1 VAL A 46 4.055 9.088 0.992 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.935 8.394 -0.185 1.00 0.00 C ATOM 0 H VAL A 46 3.141 6.682 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 46 3.778 9.431 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 46 3.635 7.159 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.562 8.887 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.120 8.877 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.914 10.135 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.485 8.207 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.719 9.417 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.520 7.699 -0.915 1.00 0.00 H new ATOM 686 N SER A 47 6.170 9.714 -1.469 1.00 0.00 N ATOM 687 CA SER A 47 7.608 9.913 -1.404 1.00 0.00 C ATOM 688 C SER A 47 7.998 10.470 -0.033 1.00 0.00 C ATOM 689 O SER A 47 9.152 10.361 0.379 1.00 0.00 O ATOM 690 CB SER A 47 8.084 10.854 -2.513 1.00 0.00 C ATOM 691 OG SER A 47 8.981 11.846 -2.024 1.00 0.00 O ATOM 0 H SER A 47 5.627 10.567 -1.601 1.00 0.00 H new ATOM 0 HA SER A 47 8.094 8.948 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.576 10.274 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.222 11.339 -2.971 1.00 0.00 H new ATOM 0 HG SER A 47 9.263 12.425 -2.763 1.00 0.00 H new ATOM 697 N LYS A 48 7.014 11.053 0.635 1.00 0.00 N ATOM 698 CA LYS A 48 7.240 11.627 1.951 1.00 0.00 C ATOM 699 C LYS A 48 5.923 12.186 2.492 1.00 0.00 C ATOM 700 O LYS A 48 4.956 12.338 1.747 1.00 0.00 O ATOM 701 CB LYS A 48 8.370 12.656 1.899 1.00 0.00 C ATOM 702 CG LYS A 48 9.186 12.640 3.194 1.00 0.00 C ATOM 703 CD LYS A 48 9.566 14.060 3.620 1.00 0.00 C ATOM 704 CE LYS A 48 10.942 14.081 4.288 1.00 0.00 C ATOM 705 NZ LYS A 48 11.793 15.134 3.690 1.00 0.00 N ATOM 0 H LYS A 48 6.058 11.140 0.290 1.00 0.00 H new ATOM 0 HA LYS A 48 7.571 10.859 2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.022 12.443 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.954 13.651 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.610 12.161 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.088 12.045 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.570 14.716 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.817 14.450 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.831 14.259 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.422 13.109 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.723 15.134 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.914 14.947 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.341 16.061 3.820 1.00 0.00 H new ATOM 719 N VAL A 49 5.927 12.477 3.784 1.00 0.00 N ATOM 720 CA VAL A 49 4.744 13.016 4.434 1.00 0.00 C ATOM 721 C VAL A 49 5.148 14.195 5.321 1.00 0.00 C ATOM 722 O VAL A 49 6.285 14.269 5.783 1.00 0.00 O ATOM 723 CB VAL A 49 4.019 11.910 5.203 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.410 12.451 6.498 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.953 11.244 4.332 1.00 0.00 C ATOM 0 H VAL A 49 6.731 12.350 4.399 1.00 0.00 H new ATOM 0 HA VAL A 49 4.039 13.393 3.693 1.00 0.00 H new ATOM 0 HB VAL A 49 4.754 11.151 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.901 11.644 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.200 12.856 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.695 13.239 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.453 10.462 4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.221 11.989 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.424 10.806 3.452 1.00 0.00 H new ATOM 735 N THR A 50 4.193 15.089 5.533 1.00 0.00 N ATOM 736 CA THR A 50 4.435 16.262 6.356 1.00 0.00 C ATOM 737 C THR A 50 3.883 16.045 7.767 1.00 0.00 C ATOM 738 O THR A 50 2.913 15.312 7.952 1.00 0.00 O ATOM 739 CB THR A 50 3.827 17.472 5.645 1.00 0.00 C ATOM 740 OG1 THR A 50 4.541 17.547 4.414 1.00 0.00 O ATOM 741 CG2 THR A 50 4.157 18.791 6.348 1.00 0.00 C ATOM 0 H THR A 50 3.250 15.025 5.149 1.00 0.00 H new ATOM 0 HA THR A 50 5.502 16.444 6.482 1.00 0.00 H new ATOM 0 HB THR A 50 2.745 17.352 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.209 18.305 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.702 19.618 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.767 18.769 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.238 18.927 6.377 1.00 0.00 H new ATOM 749 N VAL A 51 4.525 16.697 8.725 1.00 0.00 N ATOM 750 CA VAL A 51 4.111 16.586 10.113 1.00 0.00 C ATOM 751 C VAL A 51 3.158 17.734 10.451 1.00 0.00 C ATOM 752 O VAL A 51 3.324 18.848 9.956 1.00 0.00 O ATOM 753 CB VAL A 51 5.339 16.541 11.024 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.937 17.937 11.207 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.997 15.909 12.375 1.00 0.00 C ATOM 0 H VAL A 51 5.329 17.304 8.567 1.00 0.00 H new ATOM 0 HA VAL A 51 3.568 15.655 10.275 1.00 0.00 H new ATOM 0 HB VAL A 51 6.091 15.915 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.809 17.877 11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.236 18.335 10.237 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.193 18.595 11.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.887 15.889 13.003 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.220 16.496 12.865 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.640 14.891 12.220 1.00 0.00 H new ATOM 765 N GLY A 52 2.181 17.424 11.291 1.00 0.00 N ATOM 766 CA GLY A 52 1.202 18.416 11.700 1.00 0.00 C ATOM 767 C GLY A 52 0.331 18.846 10.518 1.00 0.00 C ATOM 768 O GLY A 52 -0.430 19.807 10.621 1.00 0.00 O ATOM 0 H GLY A 52 2.047 16.499 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.573 18.007 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.712 19.285 12.116 1.00 0.00 H new ATOM 772 N SER A 53 0.471 18.114 9.423 1.00 0.00 N ATOM 773 CA SER A 53 -0.294 18.408 8.223 1.00 0.00 C ATOM 774 C SER A 53 -1.505 17.477 8.134 1.00 0.00 C ATOM 775 O SER A 53 -1.523 16.416 8.755 1.00 0.00 O ATOM 776 CB SER A 53 0.574 18.273 6.970 1.00 0.00 C ATOM 777 OG SER A 53 0.717 19.513 6.284 1.00 0.00 O ATOM 0 H SER A 53 1.103 17.318 9.341 1.00 0.00 H new ATOM 0 HA SER A 53 -0.641 19.440 8.282 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.558 17.898 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.131 17.537 6.300 1.00 0.00 H new ATOM 0 HG SER A 53 0.101 19.538 5.522 1.00 0.00 H new ATOM 783 N ILE A 54 -2.486 17.909 7.356 1.00 0.00 N ATOM 784 CA ILE A 54 -3.698 17.127 7.177 1.00 0.00 C ATOM 785 C ILE A 54 -3.331 15.648 7.046 1.00 0.00 C ATOM 786 O ILE A 54 -3.697 14.836 7.895 1.00 0.00 O ATOM 787 CB ILE A 54 -4.514 17.665 5.999 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.966 19.104 6.257 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.692 16.742 5.681 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.944 19.169 7.433 1.00 0.00 C ATOM 0 H ILE A 54 -2.467 18.790 6.842 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.343 17.219 8.051 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.872 17.682 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.098 19.730 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.441 19.506 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.255 17.147 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.318 15.751 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.343 16.669 6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.250 20.203 7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.821 18.562 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.458 18.789 8.332 1.00 0.00 H new ATOM 802 N ALA A 55 -2.613 15.342 5.976 1.00 0.00 N ATOM 803 CA ALA A 55 -2.193 13.974 5.723 1.00 0.00 C ATOM 804 C ALA A 55 -1.839 13.300 7.050 1.00 0.00 C ATOM 805 O ALA A 55 -2.490 12.337 7.454 1.00 0.00 O ATOM 806 CB ALA A 55 -1.021 13.974 4.739 1.00 0.00 C ATOM 0 H ALA A 55 -2.311 16.018 5.274 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.002 13.402 5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.706 12.948 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.332 14.437 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.189 14.536 5.164 1.00 0.00 H new ATOM 812 N HIS A 56 -0.810 13.832 7.692 1.00 0.00 N ATOM 813 CA HIS A 56 -0.362 13.294 8.965 1.00 0.00 C ATOM 814 C HIS A 56 -1.575 12.902 9.811 1.00 0.00 C ATOM 815 O HIS A 56 -1.650 11.782 10.314 1.00 0.00 O ATOM 816 CB HIS A 56 0.563 14.282 9.678 1.00 0.00 C ATOM 817 CG HIS A 56 1.690 13.628 10.441 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.584 13.271 11.774 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.945 13.269 10.045 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.730 12.724 12.152 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.572 12.724 11.079 1.00 0.00 N ATOM 0 H HIS A 56 -0.273 14.631 7.354 1.00 0.00 H new ATOM 0 HA HIS A 56 0.227 12.393 8.796 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.985 14.965 8.941 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.028 14.884 10.368 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.358 13.405 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.958 12.345 13.137 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.526 12.364 11.073 1.00 0.00 H new ATOM 829 N GLN A 57 -2.496 13.846 9.942 1.00 0.00 N ATOM 830 CA GLN A 57 -3.701 13.613 10.718 1.00 0.00 C ATOM 831 C GLN A 57 -4.510 12.464 10.112 1.00 0.00 C ATOM 832 O GLN A 57 -5.028 11.616 10.835 1.00 0.00 O ATOM 833 CB GLN A 57 -4.545 14.886 10.815 1.00 0.00 C ATOM 834 CG GLN A 57 -3.659 16.116 11.021 1.00 0.00 C ATOM 835 CD GLN A 57 -4.438 17.246 11.698 1.00 0.00 C ATOM 836 OE1 GLN A 57 -4.404 17.421 12.905 1.00 0.00 O ATOM 837 NE2 GLN A 57 -5.140 17.999 10.856 1.00 0.00 N ATOM 0 H GLN A 57 -2.431 14.774 9.523 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.409 13.331 11.730 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.135 15.006 9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.249 14.798 11.642 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.796 15.849 11.630 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.277 16.458 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.124 17.797 9.856 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.694 18.779 11.210 1.00 0.00 H new ATOM 846 N ALA A 58 -4.592 12.475 8.789 1.00 0.00 N ATOM 847 CA ALA A 58 -5.328 11.444 8.077 1.00 0.00 C ATOM 848 C ALA A 58 -4.728 10.075 8.405 1.00 0.00 C ATOM 849 O ALA A 58 -5.432 9.067 8.396 1.00 0.00 O ATOM 850 CB ALA A 58 -5.308 11.746 6.577 1.00 0.00 C ATOM 0 H ALA A 58 -4.161 13.181 8.192 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.371 11.430 8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.860 10.973 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.773 12.715 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.277 11.766 6.224 1.00 0.00 H new ATOM 856 N GLY A 59 -3.433 10.085 8.687 1.00 0.00 N ATOM 857 CA GLY A 59 -2.731 8.857 9.017 1.00 0.00 C ATOM 858 C GLY A 59 -2.119 8.222 7.766 1.00 0.00 C ATOM 859 O GLY A 59 -2.244 7.017 7.553 1.00 0.00 O ATOM 0 H GLY A 59 -2.852 10.924 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.946 9.067 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.420 8.155 9.486 1.00 0.00 H new ATOM 863 N LEU A 60 -1.472 9.061 6.971 1.00 0.00 N ATOM 864 CA LEU A 60 -0.841 8.597 5.747 1.00 0.00 C ATOM 865 C LEU A 60 0.588 8.145 6.055 1.00 0.00 C ATOM 866 O LEU A 60 1.103 8.399 7.143 1.00 0.00 O ATOM 867 CB LEU A 60 -0.926 9.670 4.660 1.00 0.00 C ATOM 868 CG LEU A 60 -2.238 9.728 3.876 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.323 11.009 3.043 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.421 8.474 3.019 1.00 0.00 C ATOM 0 H LEU A 60 -1.371 10.060 7.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.371 7.731 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.759 10.642 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.111 9.509 3.954 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.061 9.753 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.265 11.025 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.271 11.876 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.493 11.040 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.362 8.541 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.595 8.393 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.437 7.593 3.661 1.00 0.00 H new ATOM 882 N GLU A 61 1.188 7.483 5.077 1.00 0.00 N ATOM 883 CA GLU A 61 2.548 6.993 5.229 1.00 0.00 C ATOM 884 C GLU A 61 3.186 6.762 3.858 1.00 0.00 C ATOM 885 O GLU A 61 2.490 6.722 2.845 1.00 0.00 O ATOM 886 CB GLU A 61 2.579 5.715 6.071 1.00 0.00 C ATOM 887 CG GLU A 61 1.932 4.549 5.321 1.00 0.00 C ATOM 888 CD GLU A 61 2.867 3.340 5.275 1.00 0.00 C ATOM 889 OE1 GLU A 61 4.095 3.572 5.279 1.00 0.00 O ATOM 890 OE2 GLU A 61 2.333 2.210 5.237 1.00 0.00 O ATOM 0 H GLU A 61 0.758 7.274 4.176 1.00 0.00 H new ATOM 0 HA GLU A 61 3.130 7.750 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.610 5.464 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.055 5.882 7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.998 4.272 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.682 4.859 4.306 1.00 0.00 H new ATOM 897 N TYR A 62 4.503 6.617 3.871 1.00 0.00 N ATOM 898 CA TYR A 62 5.243 6.392 2.640 1.00 0.00 C ATOM 899 C TYR A 62 5.220 4.912 2.251 1.00 0.00 C ATOM 900 O TYR A 62 5.023 4.046 3.101 1.00 0.00 O ATOM 901 CB TYR A 62 6.685 6.808 2.934 1.00 0.00 C ATOM 902 CG TYR A 62 7.668 6.481 1.808 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.984 5.168 1.526 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.239 7.501 1.073 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.909 4.860 0.467 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.164 7.193 0.013 1.00 0.00 C ATOM 907 CZ TYR A 62 9.454 5.888 -0.238 1.00 0.00 C ATOM 908 OH TYR A 62 10.327 5.598 -1.239 1.00 0.00 O ATOM 0 H TYR A 62 5.077 6.651 4.714 1.00 0.00 H new ATOM 0 HA TYR A 62 4.804 6.958 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.711 7.881 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.016 6.313 3.847 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.537 4.370 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.992 8.529 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.165 3.836 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.618 7.981 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 62 10.635 6.430 -1.656 1.00 0.00 H new ATOM 918 N GLY A 63 5.426 4.669 0.964 1.00 0.00 N ATOM 919 CA GLY A 63 5.431 3.310 0.451 1.00 0.00 C ATOM 920 C GLY A 63 4.005 2.797 0.241 1.00 0.00 C ATOM 921 O GLY A 63 3.806 1.708 -0.295 1.00 0.00 O ATOM 0 H GLY A 63 5.591 5.391 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.976 3.276 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.957 2.657 1.147 1.00 0.00 H new ATOM 925 N ASP A 64 3.050 3.606 0.674 1.00 0.00 N ATOM 926 CA ASP A 64 1.648 3.248 0.539 1.00 0.00 C ATOM 927 C ASP A 64 1.159 3.633 -0.859 1.00 0.00 C ATOM 928 O ASP A 64 0.891 4.803 -1.126 1.00 0.00 O ATOM 929 CB ASP A 64 0.789 3.993 1.562 1.00 0.00 C ATOM 930 CG ASP A 64 0.287 3.141 2.730 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.756 1.987 2.832 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.553 3.662 3.493 1.00 0.00 O ATOM 0 H ASP A 64 3.219 4.508 1.119 1.00 0.00 H new ATOM 0 HA ASP A 64 1.557 2.174 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.368 4.826 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.072 4.421 1.048 1.00 0.00 H new ATOM 937 N GLN A 65 1.059 2.626 -1.714 1.00 0.00 N ATOM 938 CA GLN A 65 0.608 2.844 -3.077 1.00 0.00 C ATOM 939 C GLN A 65 -0.735 3.578 -3.081 1.00 0.00 C ATOM 940 O GLN A 65 -1.667 3.177 -2.386 1.00 0.00 O ATOM 941 CB GLN A 65 0.512 1.522 -3.842 1.00 0.00 C ATOM 942 CG GLN A 65 0.511 1.761 -5.353 1.00 0.00 C ATOM 943 CD GLN A 65 -0.622 0.986 -6.029 1.00 0.00 C ATOM 944 OE1 GLN A 65 -1.037 -0.071 -5.585 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.097 1.570 -7.126 1.00 0.00 N ATOM 0 H GLN A 65 1.283 1.657 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 65 1.343 3.468 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.351 0.880 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.398 0.996 -3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.400 2.826 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.468 1.454 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.704 2.456 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.855 1.132 -7.650 1.00 0.00 H new ATOM 954 N LEU A 66 -0.791 4.640 -3.871 1.00 0.00 N ATOM 955 CA LEU A 66 -2.004 5.433 -3.974 1.00 0.00 C ATOM 956 C LEU A 66 -2.889 4.861 -5.084 1.00 0.00 C ATOM 957 O LEU A 66 -2.585 5.014 -6.266 1.00 0.00 O ATOM 958 CB LEU A 66 -1.663 6.912 -4.161 1.00 0.00 C ATOM 959 CG LEU A 66 -0.760 7.532 -3.092 1.00 0.00 C ATOM 960 CD1 LEU A 66 -0.298 8.930 -3.508 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.453 7.541 -1.728 1.00 0.00 C ATOM 0 H LEU A 66 -0.016 4.970 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.576 5.376 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.181 7.034 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.594 7.478 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 66 0.132 6.913 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.342 9.348 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.260 8.866 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.167 9.574 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.790 7.987 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.372 8.124 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.691 6.519 -1.434 1.00 0.00 H new ATOM 973 N LEU A 67 -3.966 4.215 -4.664 1.00 0.00 N ATOM 974 CA LEU A 67 -4.897 3.619 -5.607 1.00 0.00 C ATOM 975 C LEU A 67 -5.773 4.717 -6.215 1.00 0.00 C ATOM 976 O LEU A 67 -5.584 5.100 -7.369 1.00 0.00 O ATOM 977 CB LEU A 67 -5.694 2.497 -4.939 1.00 0.00 C ATOM 978 CG LEU A 67 -4.987 1.145 -4.830 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.912 0.090 -4.221 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.431 0.707 -6.186 1.00 0.00 C ATOM 0 H LEU A 67 -4.215 4.091 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.357 3.149 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.970 2.822 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.621 2.356 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.138 1.256 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.385 -0.862 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.217 0.406 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.794 -0.027 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.933 -0.257 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.248 0.618 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.715 1.448 -6.542 1.00 0.00 H new ATOM 992 N GLU A 68 -6.712 5.194 -5.411 1.00 0.00 N ATOM 993 CA GLU A 68 -7.617 6.240 -5.855 1.00 0.00 C ATOM 994 C GLU A 68 -7.707 7.346 -4.801 1.00 0.00 C ATOM 995 O GLU A 68 -7.456 7.106 -3.621 1.00 0.00 O ATOM 996 CB GLU A 68 -9.001 5.670 -6.171 1.00 0.00 C ATOM 997 CG GLU A 68 -9.010 4.977 -7.535 1.00 0.00 C ATOM 998 CD GLU A 68 -10.434 4.861 -8.082 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.216 5.804 -7.834 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -10.709 3.831 -8.736 1.00 0.00 O ATOM 0 H GLU A 68 -6.865 4.875 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.220 6.672 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.291 4.960 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.739 6.472 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.392 5.538 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.569 3.984 -7.445 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.066 8.534 -5.266 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.193 9.677 -4.378 1.00 0.00 C ATOM 1009 C PHE A 69 -9.582 10.309 -4.492 1.00 0.00 C ATOM 1010 O PHE A 69 -9.874 11.002 -5.466 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.143 10.701 -4.814 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.223 12.033 -4.066 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.060 13.011 -4.507 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.458 12.240 -2.961 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.135 14.247 -3.813 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.533 13.476 -2.267 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.370 14.454 -2.707 1.00 0.00 C ATOM 0 H PHE A 69 -8.273 8.729 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.050 9.362 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.151 10.273 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.255 10.889 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.667 12.847 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.793 11.464 -2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.799 15.023 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.925 13.640 -1.389 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.427 15.394 -2.179 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.401 10.048 -3.484 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.752 10.582 -3.460 1.00 0.00 C ATOM 1029 C ASN A 70 -12.545 10.007 -4.635 1.00 0.00 C ATOM 1030 O ASN A 70 -13.623 10.500 -4.961 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.744 12.106 -3.596 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.535 12.762 -2.462 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.191 12.107 -1.668 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.436 14.088 -2.430 1.00 0.00 N ATOM 0 H ASN A 70 -10.155 9.474 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.206 10.307 -2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.717 12.470 -3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.174 12.391 -4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.926 14.619 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.870 14.574 -3.125 1.00 0.00 H new ATOM 1041 N GLY A 71 -11.979 8.972 -5.238 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.620 8.324 -6.370 1.00 0.00 C ATOM 1043 C GLY A 71 -12.321 9.072 -7.671 1.00 0.00 C ATOM 1044 O GLY A 71 -13.032 8.909 -8.662 1.00 0.00 O ATOM 0 H GLY A 71 -11.084 8.566 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.271 7.294 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.697 8.284 -6.209 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.269 9.875 -7.626 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.867 10.648 -8.789 1.00 0.00 C ATOM 1050 C ILE A 72 -10.062 9.756 -9.736 1.00 0.00 C ATOM 1051 O ILE A 72 -9.510 10.234 -10.726 1.00 0.00 O ATOM 1052 CB ILE A 72 -10.125 11.916 -8.360 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.630 13.135 -9.133 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.612 11.738 -8.494 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.606 14.389 -8.257 1.00 0.00 C ATOM 0 H ILE A 72 -10.682 10.007 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.743 10.990 -9.340 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.335 12.094 -7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -10.011 13.292 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.645 12.952 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.109 12.654 -8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.285 10.912 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.362 11.522 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.970 15.241 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -11.246 14.238 -7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.585 14.583 -7.927 1.00 0.00 H new ATOM 1067 N ASN A 73 -10.020 8.475 -9.399 1.00 0.00 N ATOM 1068 CA ASN A 73 -9.292 7.512 -10.207 1.00 0.00 C ATOM 1069 C ASN A 73 -7.854 7.997 -10.399 1.00 0.00 C ATOM 1070 O ASN A 73 -7.554 8.690 -11.370 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.929 7.360 -11.590 1.00 0.00 C ATOM 1072 CG ASN A 73 -9.270 6.223 -12.374 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.292 5.628 -11.952 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -9.859 5.957 -13.537 1.00 0.00 N ATOM 0 H ASN A 73 -10.479 8.082 -8.577 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.317 6.552 -9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.996 7.163 -11.484 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.831 8.293 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.494 5.216 -14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.675 6.494 -13.830 1.00 0.00 H new ATOM 1081 N LEU A 74 -7.003 7.615 -9.458 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.604 8.003 -9.512 1.00 0.00 C ATOM 1083 C LEU A 74 -4.803 6.909 -10.222 1.00 0.00 C ATOM 1084 O LEU A 74 -3.716 7.167 -10.738 1.00 0.00 O ATOM 1085 CB LEU A 74 -5.085 8.334 -8.112 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.830 9.814 -7.823 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -4.383 10.022 -6.375 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.832 10.403 -8.821 1.00 0.00 C ATOM 0 H LEU A 74 -7.256 7.041 -8.654 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.484 8.916 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.803 7.960 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.155 7.788 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.769 10.353 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.209 11.083 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.160 9.663 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.462 9.468 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.668 11.456 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.886 9.865 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.229 10.308 -9.832 1.00 0.00 H new ATOM 1100 N ARG A 75 -5.371 5.712 -10.226 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.724 4.579 -10.865 1.00 0.00 C ATOM 1102 C ARG A 75 -4.186 4.980 -12.240 1.00 0.00 C ATOM 1103 O ARG A 75 -3.245 4.370 -12.744 1.00 0.00 O ATOM 1104 CB ARG A 75 -5.696 3.409 -11.026 1.00 0.00 C ATOM 1105 CG ARG A 75 -6.168 2.896 -9.664 1.00 0.00 C ATOM 1106 CD ARG A 75 -7.347 1.933 -9.820 1.00 0.00 C ATOM 1107 NE ARG A 75 -7.334 0.937 -8.725 1.00 0.00 N ATOM 1108 CZ ARG A 75 -8.142 -0.131 -8.671 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -9.031 -0.348 -9.649 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.060 -0.982 -7.639 1.00 0.00 N ATOM 0 H ARG A 75 -6.272 5.502 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.898 4.265 -10.226 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.556 3.725 -11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.211 2.602 -11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.346 2.391 -9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.461 3.737 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.285 2.488 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.289 1.427 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.668 1.072 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.093 0.299 -10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.646 -1.161 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.383 -0.817 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.675 -1.795 -7.598 1.00 0.00 H new ATOM 1124 N SER A 76 -4.807 6.004 -12.807 1.00 0.00 N ATOM 1125 CA SER A 76 -4.402 6.494 -14.114 1.00 0.00 C ATOM 1126 C SER A 76 -4.130 7.998 -14.048 1.00 0.00 C ATOM 1127 O SER A 76 -4.775 8.780 -14.743 1.00 0.00 O ATOM 1128 CB SER A 76 -5.469 6.194 -15.169 1.00 0.00 C ATOM 1129 OG SER A 76 -5.043 6.561 -16.478 1.00 0.00 O ATOM 0 H SER A 76 -5.587 6.508 -12.386 1.00 0.00 H new ATOM 0 HA SER A 76 -3.487 5.978 -14.404 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.708 5.131 -15.150 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.385 6.731 -14.922 1.00 0.00 H new ATOM 0 HG SER A 76 -4.878 7.526 -16.510 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.172 8.357 -13.205 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.806 9.753 -13.039 1.00 0.00 C ATOM 1137 C ALA A 77 -1.285 9.866 -12.920 1.00 0.00 C ATOM 1138 O ALA A 77 -0.607 8.882 -12.630 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.531 10.329 -11.821 1.00 0.00 C ATOM 0 H ALA A 77 -2.639 7.705 -12.630 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.113 10.337 -13.907 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.257 11.376 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.608 10.251 -11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.245 9.770 -10.930 1.00 0.00 H new ATOM 1145 N THR A 78 -0.794 11.075 -13.151 1.00 0.00 N ATOM 1146 CA THR A 78 0.634 11.330 -13.073 1.00 0.00 C ATOM 1147 C THR A 78 0.980 12.032 -11.758 1.00 0.00 C ATOM 1148 O THR A 78 0.097 12.312 -10.949 1.00 0.00 O ATOM 1149 CB THR A 78 1.040 12.128 -14.313 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.165 13.253 -14.304 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.698 11.401 -15.616 1.00 0.00 C ATOM 0 H THR A 78 -1.360 11.889 -13.392 1.00 0.00 H new ATOM 0 HA THR A 78 1.202 10.400 -13.067 1.00 0.00 H new ATOM 0 HB THR A 78 2.111 12.329 -14.280 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.282 13.765 -15.131 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.007 12.011 -16.465 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.220 10.445 -15.647 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.377 11.229 -15.665 1.00 0.00 H new ATOM 1159 N GLU A 79 2.267 12.295 -11.586 1.00 0.00 N ATOM 1160 CA GLU A 79 2.741 12.959 -10.384 1.00 0.00 C ATOM 1161 C GLU A 79 2.289 14.421 -10.372 1.00 0.00 C ATOM 1162 O GLU A 79 1.951 14.962 -9.320 1.00 0.00 O ATOM 1163 CB GLU A 79 4.262 12.854 -10.262 1.00 0.00 C ATOM 1164 CG GLU A 79 4.937 13.071 -11.618 1.00 0.00 C ATOM 1165 CD GLU A 79 6.380 13.548 -11.443 1.00 0.00 C ATOM 1166 OE1 GLU A 79 7.179 12.752 -10.905 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.651 14.698 -11.851 1.00 0.00 O ATOM 0 H GLU A 79 2.996 12.060 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 79 2.306 12.457 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.625 13.594 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.532 11.873 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.924 12.142 -12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.375 13.806 -12.194 1.00 0.00 H new ATOM 1174 N GLN A 80 2.298 15.020 -11.554 1.00 0.00 N ATOM 1175 CA GLN A 80 1.894 16.408 -11.692 1.00 0.00 C ATOM 1176 C GLN A 80 0.424 16.575 -11.301 1.00 0.00 C ATOM 1177 O GLN A 80 0.057 17.556 -10.656 1.00 0.00 O ATOM 1178 CB GLN A 80 2.143 16.912 -13.115 1.00 0.00 C ATOM 1179 CG GLN A 80 1.182 16.253 -14.107 1.00 0.00 C ATOM 1180 CD GLN A 80 1.745 16.298 -15.529 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.867 16.714 -15.767 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.906 15.847 -16.457 1.00 0.00 N ATOM 0 H GLN A 80 2.579 14.569 -12.425 1.00 0.00 H new ATOM 0 HA GLN A 80 2.500 17.011 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.019 17.994 -13.148 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.172 16.700 -13.405 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.005 15.218 -13.815 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.218 16.761 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.020 15.513 -16.189 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.188 15.835 -17.437 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.377 15.602 -11.708 1.00 0.00 N ATOM 1192 CA GLN A 81 -1.799 15.628 -11.407 1.00 0.00 C ATOM 1193 C GLN A 81 -2.032 15.354 -9.920 1.00 0.00 C ATOM 1194 O GLN A 81 -2.723 16.116 -9.246 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.561 14.626 -12.276 1.00 0.00 C ATOM 1196 CG GLN A 81 -2.917 15.237 -13.633 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.066 14.626 -14.749 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.315 15.302 -15.432 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.225 13.314 -14.894 1.00 0.00 N ATOM 0 H GLN A 81 -0.069 14.790 -12.244 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.182 16.622 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.955 13.732 -12.423 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.471 14.313 -11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.973 15.072 -13.844 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.763 16.316 -13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.871 12.808 -14.288 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.701 12.813 -15.612 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.444 14.263 -9.453 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.579 13.878 -8.058 1.00 0.00 C ATOM 1210 C ALA A 82 -1.348 15.103 -7.171 1.00 0.00 C ATOM 1211 O ALA A 82 -2.211 15.469 -6.376 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.606 12.740 -7.746 1.00 0.00 C ATOM 0 H ALA A 82 -0.873 13.633 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.585 13.510 -7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.707 12.451 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.831 11.884 -8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.415 13.073 -7.933 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.178 15.702 -7.338 1.00 0.00 N ATOM 1219 CA ARG A 83 0.177 16.878 -6.563 1.00 0.00 C ATOM 1220 C ARG A 83 -0.967 17.894 -6.584 1.00 0.00 C ATOM 1221 O ARG A 83 -1.168 18.628 -5.617 1.00 0.00 O ATOM 1222 CB ARG A 83 1.445 17.537 -7.111 1.00 0.00 C ATOM 1223 CG ARG A 83 2.687 16.718 -6.753 1.00 0.00 C ATOM 1224 CD ARG A 83 3.957 17.392 -7.275 1.00 0.00 C ATOM 1225 NE ARG A 83 4.761 17.904 -6.142 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.905 18.586 -6.281 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.388 18.844 -7.505 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.567 19.012 -5.197 1.00 0.00 N ATOM 0 H ARG A 83 0.536 15.395 -7.999 1.00 0.00 H new ATOM 0 HA ARG A 83 0.362 16.556 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.369 17.635 -8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.540 18.544 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.751 16.602 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.602 15.717 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.544 16.680 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.695 18.211 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 83 4.422 17.726 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.884 18.521 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.259 19.364 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.200 18.817 -4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.438 19.531 -5.303 1.00 0.00 H new ATOM 1242 N LEU A 84 -1.686 17.904 -7.697 1.00 0.00 N ATOM 1243 CA LEU A 84 -2.804 18.818 -7.857 1.00 0.00 C ATOM 1244 C LEU A 84 -4.043 18.224 -7.182 1.00 0.00 C ATOM 1245 O LEU A 84 -4.626 18.843 -6.293 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.012 19.157 -9.334 1.00 0.00 C ATOM 1247 CG LEU A 84 -1.982 20.101 -9.957 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -1.928 19.929 -11.476 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.254 21.552 -9.554 1.00 0.00 C ATOM 0 H LEU A 84 -1.516 17.294 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.594 19.767 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.014 18.227 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.000 19.603 -9.448 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.998 19.837 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.188 20.612 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.651 18.903 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.907 20.150 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.508 22.202 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.247 21.844 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.201 21.644 -8.469 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.407 17.032 -7.630 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.566 16.348 -7.081 1.00 0.00 C ATOM 1263 C ILE A 85 -5.560 16.487 -5.557 1.00 0.00 C ATOM 1264 O ILE A 85 -6.517 16.993 -4.972 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.611 14.898 -7.565 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.716 14.833 -9.091 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.741 14.126 -6.880 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.792 13.383 -9.573 1.00 0.00 C ATOM 0 H ILE A 85 -3.920 16.522 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.486 16.809 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.675 14.415 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.601 15.377 -9.422 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.853 15.325 -9.540 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.751 13.098 -7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.582 14.129 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.696 14.600 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.866 13.364 -10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.895 12.848 -9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.670 12.902 -9.141 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.470 16.031 -4.957 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.327 16.098 -3.513 1.00 0.00 C ATOM 1282 C ILE A 86 -4.340 17.562 -3.071 1.00 0.00 C ATOM 1283 O ILE A 86 -4.778 17.877 -1.965 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.082 15.331 -3.062 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.805 16.057 -3.492 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.116 13.886 -3.563 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.622 15.089 -3.562 1.00 0.00 C ATOM 0 H ILE A 86 -3.678 15.614 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.170 15.609 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.080 15.294 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.957 16.522 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.583 16.858 -2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.220 13.364 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.998 13.384 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.154 13.879 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.273 15.630 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.458 14.644 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.838 14.303 -4.285 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.856 18.420 -3.958 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.807 19.844 -3.673 1.00 0.00 C ATOM 1301 C GLY A 87 -5.113 20.529 -4.079 1.00 0.00 C ATOM 1302 O GLY A 87 -5.101 21.662 -4.558 1.00 0.00 O ATOM 0 H GLY A 87 -3.494 18.156 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.626 20.000 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.973 20.297 -4.208 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.209 19.813 -3.874 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.521 20.338 -4.213 1.00 0.00 C ATOM 1308 C GLN A 88 -8.199 20.916 -2.969 1.00 0.00 C ATOM 1309 O GLN A 88 -7.589 20.990 -1.903 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.392 19.260 -4.861 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.097 19.144 -6.358 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.391 18.994 -7.162 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.489 19.149 -6.653 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.200 18.685 -8.441 1.00 0.00 N ATOM 0 H GLN A 88 -6.215 18.873 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.393 21.141 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.211 18.301 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.445 19.499 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.556 20.028 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.450 18.286 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.253 18.570 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.001 18.563 -9.061 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.451 21.311 -3.146 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.218 21.880 -2.051 1.00 0.00 C ATOM 1325 C GLN A 89 -11.407 20.978 -1.712 1.00 0.00 C ATOM 1326 O GLN A 89 -12.284 20.761 -2.546 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.684 23.298 -2.387 1.00 0.00 C ATOM 1328 CG GLN A 89 -10.921 23.456 -3.890 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.594 23.533 -4.649 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -8.747 24.371 -4.388 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.462 22.613 -5.601 1.00 0.00 N ATOM 0 H GLN A 89 -9.954 21.248 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.573 21.943 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.603 23.520 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.936 24.018 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.507 22.615 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.504 24.358 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.210 21.940 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.612 22.580 -6.164 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.399 20.478 -0.485 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.465 19.606 -0.025 1.00 0.00 C ATOM 1342 C CYS A 90 -12.321 19.427 1.488 1.00 0.00 C ATOM 1343 O CYS A 90 -11.330 18.872 1.960 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.456 18.264 -0.761 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.587 18.332 -2.198 1.00 0.00 S ATOM 0 H CYS A 90 -10.670 20.661 0.205 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.430 20.061 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.445 18.029 -1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.762 17.466 -0.084 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.442 19.469 -2.811 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.325 19.908 2.206 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.323 19.809 3.656 1.00 0.00 C ATOM 1353 C ASP A 91 -12.925 18.390 4.065 1.00 0.00 C ATOM 1354 O ASP A 91 -12.011 18.204 4.868 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.712 20.094 4.230 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.251 21.499 3.951 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.882 22.412 4.722 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.020 21.629 2.974 1.00 0.00 O ATOM 0 H ASP A 91 -14.146 20.367 1.811 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.616 20.543 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.413 19.365 3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.681 19.940 5.309 1.00 0.00 H new ATOM 1363 N THR A 92 -13.630 17.424 3.494 1.00 0.00 N ATOM 1364 CA THR A 92 -13.361 16.027 3.789 1.00 0.00 C ATOM 1365 C THR A 92 -13.223 15.225 2.493 1.00 0.00 C ATOM 1366 O THR A 92 -14.100 15.273 1.633 1.00 0.00 O ATOM 1367 CB THR A 92 -14.475 15.514 4.704 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.434 16.391 5.827 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.162 14.138 5.295 1.00 0.00 C ATOM 0 H THR A 92 -14.387 17.581 2.829 1.00 0.00 H new ATOM 0 HA THR A 92 -12.411 15.909 4.311 1.00 0.00 H new ATOM 0 HB THR A 92 -15.409 15.464 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.126 16.131 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.985 13.822 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.032 13.416 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.245 14.194 5.882 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.113 14.507 2.395 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.848 13.696 1.219 1.00 0.00 C ATOM 1379 C ILE A 93 -11.323 12.327 1.656 1.00 0.00 C ATOM 1380 O ILE A 93 -10.531 12.233 2.593 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.914 14.435 0.258 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.124 13.449 -0.605 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.996 15.396 1.017 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.812 13.054 0.076 1.00 0.00 C ATOM 0 H ILE A 93 -11.387 14.470 3.111 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.768 13.521 0.662 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.523 15.037 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.725 12.558 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.913 13.897 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.342 15.909 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.599 16.130 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.391 14.835 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.270 12.353 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.203 13.944 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.027 12.584 1.036 1.00 0.00 H new ATOM 1396 N THR A 94 -11.786 11.301 0.958 1.00 0.00 N ATOM 1397 CA THR A 94 -11.373 9.942 1.262 1.00 0.00 C ATOM 1398 C THR A 94 -10.254 9.500 0.316 1.00 0.00 C ATOM 1399 O THR A 94 -10.130 10.022 -0.790 1.00 0.00 O ATOM 1400 CB THR A 94 -12.611 9.046 1.199 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.541 9.677 2.075 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.374 7.673 1.833 1.00 0.00 C ATOM 0 H THR A 94 -12.443 11.384 0.183 1.00 0.00 H new ATOM 0 HA THR A 94 -10.954 9.872 2.266 1.00 0.00 H new ATOM 0 HB THR A 94 -12.914 8.918 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.375 9.162 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.284 7.077 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.565 7.165 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.104 7.798 2.882 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.469 8.542 0.787 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.365 8.024 -0.003 1.00 0.00 C ATOM 1412 C ILE A 95 -8.330 6.499 0.116 1.00 0.00 C ATOM 1413 O ILE A 95 -8.696 5.945 1.151 1.00 0.00 O ATOM 1414 CB ILE A 95 -7.053 8.702 0.399 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -7.129 10.215 0.182 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.865 8.076 -0.334 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -6.057 10.941 0.996 1.00 0.00 C ATOM 0 H ILE A 95 -9.576 8.111 1.705 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.508 8.259 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.896 8.537 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.002 10.441 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.116 10.578 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.945 8.576 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.801 7.017 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.001 8.189 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.134 12.014 0.823 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.202 10.733 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.070 10.594 0.690 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.887 5.864 -0.959 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.799 4.414 -0.988 1.00 0.00 C ATOM 1431 C LEU A 96 -6.336 3.998 -1.152 1.00 0.00 C ATOM 1432 O LEU A 96 -5.722 4.269 -2.183 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.725 3.843 -2.064 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.887 2.321 -2.071 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -7.713 1.648 -2.785 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.079 1.784 -0.652 1.00 0.00 C ATOM 0 H LEU A 96 -7.585 6.327 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.146 3.993 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.710 4.293 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.350 4.153 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.788 2.076 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.853 0.567 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.665 1.999 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.784 1.898 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.192 0.700 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.210 2.040 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.972 2.228 -0.213 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.819 3.348 -0.120 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.439 2.893 -0.136 1.00 0.00 C ATOM 1450 C ALA A 97 -4.412 1.364 -0.172 1.00 0.00 C ATOM 1451 O ALA A 97 -5.459 0.720 -0.136 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.699 3.462 1.076 1.00 0.00 C ATOM 0 H ALA A 97 -6.331 3.125 0.733 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.926 3.253 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.664 3.120 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.722 4.551 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.183 3.120 1.991 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.203 0.827 -0.241 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.025 -0.615 -0.281 1.00 0.00 C ATOM 1460 C GLN A 98 -1.538 -0.969 -0.201 1.00 0.00 C ATOM 1461 O GLN A 98 -0.912 -1.266 -1.217 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.663 -1.211 -1.537 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.642 -2.740 -1.490 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.006 -3.335 -2.852 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.477 -2.958 -3.885 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.936 -4.284 -2.796 1.00 0.00 N ATOM 0 H GLN A 98 -2.337 1.365 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.529 -1.048 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.691 -0.861 -1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.128 -0.863 -2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.652 -3.085 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.344 -3.094 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.338 -4.552 -1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.247 -4.744 -3.651 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.017 -0.925 1.017 1.00 0.00 N ATOM 1476 CA TYR A 99 0.383 -1.237 1.243 1.00 0.00 C ATOM 1477 C TYR A 99 0.845 -2.376 0.332 1.00 0.00 C ATOM 1478 O TYR A 99 0.188 -3.412 0.246 1.00 0.00 O ATOM 1479 CB TYR A 99 0.484 -1.692 2.700 1.00 0.00 C ATOM 1480 CG TYR A 99 1.907 -2.027 3.151 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.486 -3.223 2.776 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.612 -1.134 3.932 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.826 -3.538 3.200 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.951 -1.449 4.356 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.492 -2.636 3.969 1.00 0.00 C ATOM 1486 OH TYR A 99 5.758 -2.933 4.369 1.00 0.00 O ATOM 0 H TYR A 99 -1.540 -0.678 1.857 1.00 0.00 H new ATOM 0 HA TYR A 99 1.008 -0.370 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.085 -0.907 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.147 -2.570 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.934 -3.922 2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.159 -0.198 4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.291 -4.470 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.513 -0.759 4.967 1.00 0.00 H new ATOM 0 HH TYR A 99 6.111 -2.197 4.911 1.00 0.00 H new ATOM 1496 N ASN A 100 1.973 -2.146 -0.325 1.00 0.00 N ATOM 1497 CA ASN A 100 2.530 -3.141 -1.226 1.00 0.00 C ATOM 1498 C ASN A 100 3.872 -3.626 -0.675 1.00 0.00 C ATOM 1499 O ASN A 100 4.856 -2.888 -0.688 1.00 0.00 O ATOM 1500 CB ASN A 100 2.775 -2.549 -2.615 1.00 0.00 C ATOM 1501 CG ASN A 100 1.663 -2.952 -3.587 1.00 0.00 C ATOM 1502 OD1 ASN A 100 1.323 -4.114 -3.734 1.00 0.00 O ATOM 1503 ND2 ASN A 100 1.118 -1.929 -4.239 1.00 0.00 N ATOM 0 H ASN A 100 2.516 -1.286 -0.251 1.00 0.00 H new ATOM 0 HA ASN A 100 1.818 -3.962 -1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.827 -1.462 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.737 -2.891 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.367 -2.093 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.451 -0.980 -4.068 1.00 0.00 H new ATOM 1510 N PRO A 101 3.870 -4.898 -0.193 1.00 0.00 N ATOM 1511 CA PRO A 101 5.075 -5.490 0.361 1.00 0.00 C ATOM 1512 C PRO A 101 6.056 -5.876 -0.748 1.00 0.00 C ATOM 1513 O PRO A 101 6.488 -7.025 -0.828 1.00 0.00 O ATOM 1514 CB PRO A 101 4.592 -6.684 1.168 1.00 0.00 C ATOM 1515 CG PRO A 101 3.192 -6.990 0.661 1.00 0.00 C ATOM 1516 CD PRO A 101 2.724 -5.802 -0.162 1.00 0.00 C ATOM 0 HA PRO A 101 5.631 -4.798 0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.253 -7.540 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.580 -6.456 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.195 -7.896 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.514 -7.167 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.433 -6.107 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.855 -5.324 0.291 1.00 0.00 H new