USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 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 35 ASN : amide:sc= -4.12! C(o=-3.6!,f=-6.6!) USER MOD Set 1.2: A 84 SER OG : rot -34:sc= 0.551 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.77! K(o=-1.8!,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.747 K(o=0.75,f=-6.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 83:sc= -0.645 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -4.25! K(o=-4.3!,f=-2.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0068 USER MOD Single : A 67 SER OG : rot 27:sc= 0.837 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.55! C(o=-4.5!,f=-12!) USER MOD Single : A 77 ASN : amide:sc= -1.02 K(o=-1,f=-4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -6.25! C(o=-6.3!,f=-11!) USER MOD Single : A 88 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-3.1!) USER MOD Single : A 89 ASN : amide:sc= -0.818 K(o=-0.82,f=-1.9!) USER MOD Single : A 91 THR OG1 : rot 37:sc= 0.0645 USER MOD Single : A 92 CYS SG : rot 52:sc= 0.314 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -50:sc= 0.52 USER MOD Single : A 108 SER OG : rot -79:sc= 0.0761 USER MOD Single : A 112 LYS NZ :NH3+ -164:sc= -1.23 (180deg=-1.93!) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.073 7.312 10.726 1.00 0.00 N ATOM 200 CA ALA A 17 -13.003 6.647 9.992 1.00 0.00 C ATOM 201 C ALA A 17 -11.720 7.470 10.025 1.00 0.00 C ATOM 202 O ALA A 17 -11.719 8.648 10.384 1.00 0.00 O ATOM 203 CB ALA A 17 -13.430 6.389 8.555 1.00 0.00 C ATOM 0 HA ALA A 17 -12.803 5.692 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.621 5.892 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.315 5.753 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.660 7.337 8.068 1.00 0.00 H new ATOM 209 N PRO A 18 -10.600 6.838 9.643 1.00 0.00 N ATOM 210 CA PRO A 18 -9.290 7.494 9.621 1.00 0.00 C ATOM 211 C PRO A 18 -9.187 8.547 8.523 1.00 0.00 C ATOM 212 O PRO A 18 -8.771 8.251 7.403 1.00 0.00 O ATOM 213 CB PRO A 18 -8.321 6.341 9.349 1.00 0.00 C ATOM 214 CG PRO A 18 -9.139 5.318 8.639 1.00 0.00 C ATOM 215 CD PRO A 18 -10.528 5.435 9.203 1.00 0.00 C ATOM 0 HA PRO A 18 -9.087 8.030 10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.479 6.667 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.908 5.944 10.276 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.138 5.495 7.564 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.736 4.318 8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.286 5.209 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.684 4.745 10.032 1.00 0.00 H new ATOM 223 N SER A 19 -9.567 9.777 8.852 1.00 0.00 N ATOM 224 CA SER A 19 -9.520 10.874 7.892 1.00 0.00 C ATOM 225 C SER A 19 -8.102 11.418 7.757 1.00 0.00 C ATOM 226 O SER A 19 -7.890 12.630 7.722 1.00 0.00 O ATOM 227 CB SER A 19 -10.470 11.995 8.320 1.00 0.00 C ATOM 228 OG SER A 19 -11.784 11.758 7.847 1.00 0.00 O ATOM 0 H SER A 19 -9.911 10.039 9.776 1.00 0.00 H new ATOM 0 HA SER A 19 -9.836 10.489 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.480 12.072 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.108 12.949 7.936 1.00 0.00 H new ATOM 0 HG SER A 19 -12.372 12.487 8.135 1.00 0.00 H new ATOM 234 N VAL A 20 -7.132 10.512 7.682 1.00 0.00 N ATOM 235 CA VAL A 20 -5.732 10.899 7.550 1.00 0.00 C ATOM 236 C VAL A 20 -4.907 9.775 6.935 1.00 0.00 C ATOM 237 O VAL A 20 -5.363 8.635 6.843 1.00 0.00 O ATOM 238 CB VAL A 20 -5.125 11.282 8.912 1.00 0.00 C ATOM 239 CG1 VAL A 20 -5.867 12.465 9.515 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.146 10.091 9.858 1.00 0.00 C ATOM 0 H VAL A 20 -7.290 9.505 7.710 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.704 11.767 6.892 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.087 11.576 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.423 12.721 10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.795 13.320 8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.915 12.203 9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.713 10.380 10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.175 9.764 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.565 9.275 9.428 1.00 0.00 H new ATOM 250 N ALA A 21 -3.689 10.103 6.516 1.00 0.00 N ATOM 251 CA ALA A 21 -2.798 9.120 5.913 1.00 0.00 C ATOM 252 C ALA A 21 -1.529 8.947 6.741 1.00 0.00 C ATOM 253 O ALA A 21 -1.218 9.752 7.619 1.00 0.00 O ATOM 254 CB ALA A 21 -2.450 9.527 4.489 1.00 0.00 C ATOM 0 H ALA A 21 -3.297 11.042 6.583 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.318 8.162 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.784 8.784 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.362 9.592 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.954 10.498 4.499 1.00 0.00 H new ATOM 260 N PRO A 22 -0.778 7.873 6.457 1.00 0.00 N ATOM 261 CA PRO A 22 0.470 7.570 7.164 1.00 0.00 C ATOM 262 C PRO A 22 1.582 8.559 6.829 1.00 0.00 C ATOM 263 O PRO A 22 1.568 9.188 5.770 1.00 0.00 O ATOM 264 CB PRO A 22 0.831 6.169 6.664 1.00 0.00 C ATOM 265 CG PRO A 22 0.177 6.064 5.329 1.00 0.00 C ATOM 266 CD PRO A 22 -1.088 6.872 5.422 1.00 0.00 C ATOM 0 HA PRO A 22 0.351 7.633 8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.911 6.042 6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.467 5.400 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.829 6.448 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.041 5.025 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.336 7.342 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.940 6.253 5.704 1.00 0.00 H new ATOM 274 N LEU A 23 2.543 8.691 7.736 1.00 0.00 N ATOM 275 CA LEU A 23 3.664 9.603 7.535 1.00 0.00 C ATOM 276 C LEU A 23 4.942 8.834 7.216 1.00 0.00 C ATOM 277 O LEU A 23 4.924 7.611 7.081 1.00 0.00 O ATOM 278 CB LEU A 23 3.872 10.467 8.780 1.00 0.00 C ATOM 279 CG LEU A 23 2.621 10.769 9.606 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.425 9.714 10.684 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.712 12.156 10.224 1.00 0.00 C ATOM 0 H LEU A 23 2.569 8.179 8.618 1.00 0.00 H new ATOM 0 HA LEU A 23 3.429 10.247 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.597 9.971 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.316 11.413 8.471 1.00 0.00 H new ATOM 0 HG LEU A 23 1.757 10.745 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.530 9.946 11.261 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.313 8.735 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.291 9.704 11.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.813 12.354 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.586 12.208 10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.802 12.901 9.434 1.00 0.00 H new ATOM 293 N ASN A 24 6.049 9.559 7.100 1.00 0.00 N ATOM 294 CA ASN A 24 7.337 8.944 6.799 1.00 0.00 C ATOM 295 C ASN A 24 7.197 7.903 5.692 1.00 0.00 C ATOM 296 O ASN A 24 7.990 6.966 5.604 1.00 0.00 O ATOM 297 CB ASN A 24 7.922 8.295 8.054 1.00 0.00 C ATOM 298 CG ASN A 24 8.802 9.248 8.841 1.00 0.00 C ATOM 299 OD1 ASN A 24 10.026 9.240 8.700 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.182 10.074 9.675 1.00 0.00 N ATOM 0 H ASN A 24 6.081 10.573 7.210 1.00 0.00 H new ATOM 0 HA ASN A 24 8.013 9.726 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.110 7.945 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.504 7.419 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.722 10.737 10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.166 10.046 9.760 1.00 0.00 H new ATOM 307 N VAL A 25 6.183 8.075 4.850 1.00 0.00 N ATOM 308 CA VAL A 25 5.940 7.151 3.749 1.00 0.00 C ATOM 309 C VAL A 25 7.031 7.259 2.690 1.00 0.00 C ATOM 310 O VAL A 25 7.109 8.248 1.960 1.00 0.00 O ATOM 311 CB VAL A 25 4.572 7.412 3.089 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.366 6.483 1.902 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.452 7.251 4.105 1.00 0.00 C ATOM 0 H VAL A 25 5.517 8.845 4.909 1.00 0.00 H new ATOM 0 HA VAL A 25 5.946 6.146 4.172 1.00 0.00 H new ATOM 0 HB VAL A 25 4.554 8.438 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.395 6.682 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.152 6.653 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.404 5.447 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.493 7.439 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.465 6.236 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.594 7.962 4.919 1.00 0.00 H new ATOM 323 N THR A 26 7.874 6.234 2.611 1.00 0.00 N ATOM 324 CA THR A 26 8.963 6.213 1.642 1.00 0.00 C ATOM 325 C THR A 26 8.942 4.930 0.819 1.00 0.00 C ATOM 326 O THR A 26 8.246 3.973 1.160 1.00 0.00 O ATOM 327 CB THR A 26 10.333 6.344 2.333 1.00 0.00 C ATOM 328 OG1 THR A 26 10.440 5.388 3.394 1.00 0.00 O ATOM 329 CG2 THR A 26 10.528 7.747 2.887 1.00 0.00 C ATOM 0 H THR A 26 7.823 5.407 3.207 1.00 0.00 H new ATOM 0 HA THR A 26 8.815 7.067 0.982 1.00 0.00 H new ATOM 0 HB THR A 26 11.109 6.152 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.315 5.477 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.503 7.815 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.475 8.470 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.746 7.963 3.615 1.00 0.00 H new ATOM 337 N VAL A 27 9.710 4.915 -0.266 1.00 0.00 N ATOM 338 CA VAL A 27 9.781 3.747 -1.136 1.00 0.00 C ATOM 339 C VAL A 27 11.227 3.398 -1.470 1.00 0.00 C ATOM 340 O VAL A 27 11.915 4.151 -2.159 1.00 0.00 O ATOM 341 CB VAL A 27 9.004 3.976 -2.446 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.133 2.768 -3.361 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.542 4.279 -2.152 1.00 0.00 C ATOM 0 H VAL A 27 10.292 5.698 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 27 9.327 2.919 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 27 9.434 4.837 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.578 2.948 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.184 2.601 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.730 1.888 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.008 4.438 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.097 3.439 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.473 5.177 -1.538 1.00 0.00 H new ATOM 353 N PHE A 28 11.682 2.251 -0.978 1.00 0.00 N ATOM 354 CA PHE A 28 13.047 1.801 -1.224 1.00 0.00 C ATOM 355 C PHE A 28 13.078 0.723 -2.303 1.00 0.00 C ATOM 356 O PHE A 28 12.337 -0.259 -2.237 1.00 0.00 O ATOM 357 CB PHE A 28 13.670 1.265 0.067 1.00 0.00 C ATOM 358 CG PHE A 28 14.378 2.317 0.873 1.00 0.00 C ATOM 359 CD1 PHE A 28 13.660 3.283 1.558 1.00 0.00 C ATOM 360 CD2 PHE A 28 15.762 2.339 0.944 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.308 4.252 2.301 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.415 3.305 1.685 1.00 0.00 C ATOM 363 CZ PHE A 28 15.688 4.264 2.364 1.00 0.00 C ATOM 0 H PHE A 28 11.125 1.616 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 28 13.628 2.655 -1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.888 0.815 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 28 14.376 0.473 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.581 3.279 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.336 1.593 0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.736 4.999 2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.494 3.311 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.197 5.021 2.942 1.00 0.00 H new ATOM 373 N LEU A 29 13.940 0.913 -3.295 1.00 0.00 N ATOM 374 CA LEU A 29 14.069 -0.043 -4.390 1.00 0.00 C ATOM 375 C LEU A 29 15.251 -0.979 -4.160 1.00 0.00 C ATOM 376 O LEU A 29 16.407 -0.585 -4.311 1.00 0.00 O ATOM 377 CB LEU A 29 14.240 0.695 -5.719 1.00 0.00 C ATOM 378 CG LEU A 29 14.830 -0.122 -6.870 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.834 -1.169 -7.346 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.238 0.790 -8.017 1.00 0.00 C ATOM 0 H LEU A 29 14.560 1.720 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 29 13.158 -0.641 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.266 1.072 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.879 1.562 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 29 15.720 -0.636 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.271 -1.741 -8.165 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.592 -1.841 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.925 -0.676 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.656 0.192 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.364 1.332 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.987 1.501 -7.668 1.00 0.00 H new ATOM 392 N ASN A 30 14.952 -2.222 -3.794 1.00 0.00 N ATOM 393 CA ASN A 30 15.990 -3.215 -3.544 1.00 0.00 C ATOM 394 C ASN A 30 16.788 -3.499 -4.813 1.00 0.00 C ATOM 395 O ASN A 30 16.263 -4.060 -5.775 1.00 0.00 O ATOM 396 CB ASN A 30 15.369 -4.511 -3.018 1.00 0.00 C ATOM 397 CG ASN A 30 16.388 -5.406 -2.340 1.00 0.00 C ATOM 398 OD1 ASN A 30 17.554 -5.446 -2.732 1.00 0.00 O ATOM 399 ND2 ASN A 30 15.950 -6.131 -1.317 1.00 0.00 N ATOM 0 H ASN A 30 14.000 -2.565 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 30 16.669 -2.813 -2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.574 -4.270 -2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.908 -5.051 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.589 -6.753 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.974 -6.066 -1.026 1.00 0.00 H new ATOM 406 N GLU A 31 18.059 -3.109 -4.807 1.00 0.00 N ATOM 407 CA GLU A 31 18.928 -3.322 -5.958 1.00 0.00 C ATOM 408 C GLU A 31 19.613 -4.684 -5.878 1.00 0.00 C ATOM 409 O GLU A 31 19.705 -5.404 -6.873 1.00 0.00 O ATOM 410 CB GLU A 31 19.981 -2.215 -6.042 1.00 0.00 C ATOM 411 CG GLU A 31 19.394 -0.835 -6.291 1.00 0.00 C ATOM 412 CD GLU A 31 19.234 -0.527 -7.767 1.00 0.00 C ATOM 413 OE1 GLU A 31 18.952 -1.466 -8.541 1.00 0.00 O ATOM 414 OE2 GLU A 31 19.392 0.651 -8.148 1.00 0.00 O ATOM 0 H GLU A 31 18.509 -2.644 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 31 18.311 -3.296 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.551 -2.196 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.682 -2.452 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.423 -0.764 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.037 -0.083 -5.834 1.00 0.00 H new ATOM 421 N SER A 32 20.091 -5.030 -4.688 1.00 0.00 N ATOM 422 CA SER A 32 20.771 -6.303 -4.478 1.00 0.00 C ATOM 423 C SER A 32 19.842 -7.473 -4.787 1.00 0.00 C ATOM 424 O SER A 32 20.276 -8.509 -5.291 1.00 0.00 O ATOM 425 CB SER A 32 21.276 -6.405 -3.037 1.00 0.00 C ATOM 426 OG SER A 32 22.124 -5.316 -2.716 1.00 0.00 O ATOM 0 H SER A 32 20.020 -4.447 -3.854 1.00 0.00 H new ATOM 0 HA SER A 32 21.622 -6.348 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.429 -6.424 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.816 -7.342 -2.903 1.00 0.00 H new ATOM 0 HG SER A 32 22.432 -5.403 -1.790 1.00 0.00 H new ATOM 432 N SER A 33 18.560 -7.299 -4.480 1.00 0.00 N ATOM 433 CA SER A 33 17.568 -8.341 -4.721 1.00 0.00 C ATOM 434 C SER A 33 16.303 -7.754 -5.340 1.00 0.00 C ATOM 435 O SER A 33 15.969 -6.591 -5.111 1.00 0.00 O ATOM 436 CB SER A 33 17.225 -9.059 -3.415 1.00 0.00 C ATOM 437 OG SER A 33 18.387 -9.595 -2.806 1.00 0.00 O ATOM 0 H SER A 33 18.184 -6.447 -4.064 1.00 0.00 H new ATOM 0 HA SER A 33 17.994 -9.060 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.740 -8.363 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.512 -9.860 -3.613 1.00 0.00 H new ATOM 0 HG SER A 33 18.140 -10.047 -1.972 1.00 0.00 H new ATOM 443 N ASP A 34 15.605 -8.567 -6.125 1.00 0.00 N ATOM 444 CA ASP A 34 14.375 -8.130 -6.777 1.00 0.00 C ATOM 445 C ASP A 34 13.251 -7.962 -5.760 1.00 0.00 C ATOM 446 O ASP A 34 12.447 -8.870 -5.553 1.00 0.00 O ATOM 447 CB ASP A 34 13.960 -9.134 -7.854 1.00 0.00 C ATOM 448 CG ASP A 34 13.487 -10.449 -7.267 1.00 0.00 C ATOM 449 OD1 ASP A 34 14.342 -11.238 -6.815 1.00 0.00 O ATOM 450 OD2 ASP A 34 12.262 -10.690 -7.262 1.00 0.00 O ATOM 0 H ASP A 34 15.869 -9.532 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 34 14.564 -7.164 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.164 -8.703 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.804 -9.319 -8.519 1.00 0.00 H new ATOM 455 N ASN A 35 13.202 -6.794 -5.126 1.00 0.00 N ATOM 456 CA ASN A 35 12.177 -6.508 -4.129 1.00 0.00 C ATOM 457 C ASN A 35 12.034 -5.004 -3.913 1.00 0.00 C ATOM 458 O ASN A 35 12.923 -4.228 -4.263 1.00 0.00 O ATOM 459 CB ASN A 35 12.518 -7.194 -2.805 1.00 0.00 C ATOM 460 CG ASN A 35 12.776 -8.679 -2.973 1.00 0.00 C ATOM 461 OD1 ASN A 35 11.848 -9.464 -3.164 1.00 0.00 O ATOM 462 ND2 ASN A 35 14.044 -9.071 -2.904 1.00 0.00 N ATOM 0 H ASN A 35 13.860 -6.031 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 35 11.228 -6.897 -4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.399 -6.722 -2.371 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.698 -7.048 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.279 -10.058 -3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.782 -8.385 -2.744 1.00 0.00 H new ATOM 469 N VAL A 36 10.908 -4.600 -3.334 1.00 0.00 N ATOM 470 CA VAL A 36 10.648 -3.190 -3.070 1.00 0.00 C ATOM 471 C VAL A 36 10.352 -2.953 -1.593 1.00 0.00 C ATOM 472 O VAL A 36 9.308 -3.363 -1.085 1.00 0.00 O ATOM 473 CB VAL A 36 9.465 -2.670 -3.909 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.211 -1.198 -3.619 1.00 0.00 C ATOM 475 CG2 VAL A 36 9.725 -2.893 -5.391 1.00 0.00 C ATOM 0 H VAL A 36 10.161 -5.229 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 36 11.549 -2.644 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 36 8.571 -3.229 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.372 -0.848 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.978 -1.070 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.101 -0.620 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.879 -2.520 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.629 -2.361 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.853 -3.959 -5.582 1.00 0.00 H new ATOM 485 N ASP A 37 11.277 -2.290 -0.909 1.00 0.00 N ATOM 486 CA ASP A 37 11.115 -1.997 0.511 1.00 0.00 C ATOM 487 C ASP A 37 10.214 -0.783 0.715 1.00 0.00 C ATOM 488 O ASP A 37 10.191 0.131 -0.109 1.00 0.00 O ATOM 489 CB ASP A 37 12.478 -1.751 1.161 1.00 0.00 C ATOM 490 CG ASP A 37 13.132 -3.034 1.636 1.00 0.00 C ATOM 491 OD1 ASP A 37 13.776 -3.713 0.809 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.001 -3.358 2.835 1.00 0.00 O ATOM 0 H ASP A 37 12.147 -1.945 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 37 10.646 -2.859 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.134 -1.255 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.357 -1.073 2.006 1.00 0.00 H new ATOM 497 N ILE A 38 9.473 -0.782 1.818 1.00 0.00 N ATOM 498 CA ILE A 38 8.570 0.319 2.131 1.00 0.00 C ATOM 499 C ILE A 38 8.558 0.612 3.627 1.00 0.00 C ATOM 500 O ILE A 38 8.474 -0.302 4.448 1.00 0.00 O ATOM 501 CB ILE A 38 7.133 0.017 1.666 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.126 -0.397 0.193 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.241 1.230 1.886 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.327 -1.881 -0.018 1.00 0.00 C ATOM 0 H ILE A 38 9.480 -1.531 2.510 1.00 0.00 H new ATOM 0 HA ILE A 38 8.940 1.193 1.596 1.00 0.00 H new ATOM 0 HB ILE A 38 6.741 -0.811 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.178 -0.100 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.911 0.146 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.228 1.002 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.226 1.483 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.629 2.075 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.311 -2.102 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.288 -2.181 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.527 -2.431 0.479 1.00 0.00 H new ATOM 516 N ARG A 39 8.641 1.892 3.975 1.00 0.00 N ATOM 517 CA ARG A 39 8.638 2.306 5.373 1.00 0.00 C ATOM 518 C ARG A 39 7.700 3.490 5.587 1.00 0.00 C ATOM 519 O ARG A 39 7.756 4.479 4.857 1.00 0.00 O ATOM 520 CB ARG A 39 10.054 2.676 5.819 1.00 0.00 C ATOM 521 CG ARG A 39 10.185 2.883 7.319 1.00 0.00 C ATOM 522 CD ARG A 39 9.709 4.266 7.734 1.00 0.00 C ATOM 523 NE ARG A 39 10.397 4.746 8.930 1.00 0.00 N ATOM 524 CZ ARG A 39 10.077 4.370 10.163 1.00 0.00 C ATOM 525 NH1 ARG A 39 9.084 3.514 10.362 1.00 0.00 N ATOM 526 NH2 ARG A 39 10.751 4.851 11.200 1.00 0.00 N ATOM 0 H ARG A 39 8.711 2.660 3.308 1.00 0.00 H new ATOM 0 HA ARG A 39 8.282 1.469 5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.741 1.889 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.361 3.588 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.605 2.124 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.225 2.751 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.874 4.967 6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.635 4.239 7.920 1.00 0.00 H new ATOM 0 HE ARG A 39 11.165 5.406 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.564 3.143 9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.840 3.227 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.515 5.510 11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.505 4.562 12.147 1.00 0.00 H new ATOM 540 N TRP A 40 6.840 3.381 6.593 1.00 0.00 N ATOM 541 CA TRP A 40 5.889 4.443 6.904 1.00 0.00 C ATOM 542 C TRP A 40 5.781 4.653 8.410 1.00 0.00 C ATOM 543 O TRP A 40 6.387 3.923 9.193 1.00 0.00 O ATOM 544 CB TRP A 40 4.514 4.110 6.323 1.00 0.00 C ATOM 545 CG TRP A 40 3.969 2.798 6.802 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.064 2.605 7.806 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.295 1.499 6.297 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.808 1.263 7.957 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.550 0.563 7.042 1.00 0.00 C ATOM 550 CE3 TRP A 40 5.142 1.034 5.287 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.630 -0.807 6.808 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.220 -0.326 5.056 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.467 -1.234 5.813 1.00 0.00 C ATOM 0 H TRP A 40 6.781 2.569 7.207 1.00 0.00 H new ATOM 0 HA TRP A 40 6.253 5.366 6.453 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.815 4.904 6.586 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.582 4.092 5.235 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.615 3.391 8.395 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.169 0.854 8.639 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.725 1.726 4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.052 -1.508 7.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.872 -0.696 4.279 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.549 -2.291 5.607 1.00 0.00 H new ATOM 564 N MET A 41 5.005 5.656 8.809 1.00 0.00 N ATOM 565 CA MET A 41 4.817 5.961 10.222 1.00 0.00 C ATOM 566 C MET A 41 3.338 5.935 10.592 1.00 0.00 C ATOM 567 O MET A 41 2.470 6.093 9.734 1.00 0.00 O ATOM 568 CB MET A 41 5.414 7.330 10.555 1.00 0.00 C ATOM 569 CG MET A 41 6.874 7.270 10.976 1.00 0.00 C ATOM 570 SD MET A 41 7.075 6.913 12.732 1.00 0.00 S ATOM 571 CE MET A 41 6.923 8.556 13.431 1.00 0.00 C ATOM 0 H MET A 41 4.497 6.271 8.173 1.00 0.00 H new ATOM 0 HA MET A 41 5.332 5.197 10.804 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.322 7.979 9.684 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.832 7.786 11.356 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.385 6.504 10.392 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.354 8.221 10.745 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.026 8.501 14.515 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.704 9.198 13.025 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.946 8.970 13.179 1.00 0.00 H new ATOM 581 N LYS A 42 3.057 5.734 11.875 1.00 0.00 N ATOM 582 CA LYS A 42 1.682 5.688 12.360 1.00 0.00 C ATOM 583 C LYS A 42 1.098 7.092 12.472 1.00 0.00 C ATOM 584 O LYS A 42 1.731 8.015 12.985 1.00 0.00 O ATOM 585 CB LYS A 42 1.622 4.989 13.720 1.00 0.00 C ATOM 586 CG LYS A 42 0.208 4.732 14.210 1.00 0.00 C ATOM 587 CD LYS A 42 0.184 4.389 15.690 1.00 0.00 C ATOM 588 CE LYS A 42 -1.233 4.131 16.180 1.00 0.00 C ATOM 589 NZ LYS A 42 -1.257 3.197 17.339 1.00 0.00 N ATOM 0 H LYS A 42 3.764 5.600 12.598 1.00 0.00 H new ATOM 0 HA LYS A 42 1.088 5.123 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.153 4.039 13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.147 5.598 14.456 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.406 5.614 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.233 3.915 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.799 3.507 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.624 5.206 16.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.696 5.076 16.465 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.829 3.716 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.240 3.047 17.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.838 2.287 17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.710 3.604 18.124 1.00 0.00 H new ATOM 603 N PRO A 43 -0.140 7.259 11.982 1.00 0.00 N ATOM 604 CA PRO A 43 -0.838 8.548 12.018 1.00 0.00 C ATOM 605 C PRO A 43 -1.237 8.952 13.433 1.00 0.00 C ATOM 606 O PRO A 43 -1.162 8.163 14.374 1.00 0.00 O ATOM 607 CB PRO A 43 -2.082 8.302 11.161 1.00 0.00 C ATOM 608 CG PRO A 43 -2.315 6.833 11.245 1.00 0.00 C ATOM 609 CD PRO A 43 -0.954 6.204 11.357 1.00 0.00 C ATOM 0 HA PRO A 43 -0.209 9.362 11.657 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.939 8.861 11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.922 8.619 10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.932 6.584 12.108 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.841 6.470 10.362 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.978 5.301 11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.562 5.919 10.381 1.00 0.00 H new ATOM 617 N PRO A 44 -1.673 10.211 13.589 1.00 0.00 N ATOM 618 CA PRO A 44 -2.093 10.748 14.886 1.00 0.00 C ATOM 619 C PRO A 44 -3.401 10.131 15.372 1.00 0.00 C ATOM 620 O PRO A 44 -3.941 10.528 16.406 1.00 0.00 O ATOM 621 CB PRO A 44 -2.278 12.242 14.609 1.00 0.00 C ATOM 622 CG PRO A 44 -2.567 12.324 13.150 1.00 0.00 C ATOM 623 CD PRO A 44 -1.788 11.207 12.511 1.00 0.00 C ATOM 0 HA PRO A 44 -1.367 10.533 15.670 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.096 12.656 15.198 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.382 12.806 14.867 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.634 12.216 12.957 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.266 13.291 12.746 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.307 10.801 11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.809 11.544 12.169 1.00 0.00 H new ATOM 735 N LEU A 52 -4.858 2.104 15.442 1.00 0.00 N ATOM 736 CA LEU A 52 -4.461 1.574 14.142 1.00 0.00 C ATOM 737 C LEU A 52 -4.432 0.049 14.162 1.00 0.00 C ATOM 738 O LEU A 52 -3.811 -0.559 15.033 1.00 0.00 O ATOM 739 CB LEU A 52 -3.087 2.117 13.746 1.00 0.00 C ATOM 740 CG LEU A 52 -2.670 1.890 12.293 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.116 0.486 12.109 1.00 0.00 C ATOM 742 CD2 LEU A 52 -3.845 2.129 11.357 1.00 0.00 C ATOM 0 HA LEU A 52 -5.197 1.895 13.405 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.071 3.189 13.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.338 1.661 14.394 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.884 2.603 12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.825 0.343 11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.246 0.351 12.751 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.880 -0.244 12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.529 1.963 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.653 1.441 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.196 3.155 11.468 1.00 0.00 H new ATOM 754 N VAL A 53 -5.107 -0.563 13.193 1.00 0.00 N ATOM 755 CA VAL A 53 -5.156 -2.017 13.097 1.00 0.00 C ATOM 756 C VAL A 53 -4.342 -2.516 11.908 1.00 0.00 C ATOM 757 O VAL A 53 -4.041 -3.705 11.804 1.00 0.00 O ATOM 758 CB VAL A 53 -6.604 -2.522 12.962 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.479 -1.935 14.059 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.160 -2.183 11.587 1.00 0.00 C ATOM 0 H VAL A 53 -5.627 -0.074 12.464 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.727 -2.410 14.019 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.604 -3.606 13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.499 -2.303 13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.090 -2.233 15.033 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.476 -0.848 13.984 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.184 -2.547 11.509 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.147 -1.102 11.446 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.547 -2.656 10.820 1.00 0.00 H new ATOM 770 N GLY A 54 -3.988 -1.599 11.013 1.00 0.00 N ATOM 771 CA GLY A 54 -3.212 -1.966 9.843 1.00 0.00 C ATOM 772 C GLY A 54 -3.224 -0.887 8.778 1.00 0.00 C ATOM 773 O GLY A 54 -3.863 0.152 8.944 1.00 0.00 O ATOM 0 H GLY A 54 -4.225 -0.609 11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.183 -2.166 10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.608 -2.891 9.423 1.00 0.00 H new ATOM 777 N TYR A 55 -2.513 -1.132 7.682 1.00 0.00 N ATOM 778 CA TYR A 55 -2.441 -0.171 6.588 1.00 0.00 C ATOM 779 C TYR A 55 -2.731 -0.846 5.251 1.00 0.00 C ATOM 780 O TYR A 55 -2.588 -2.061 5.112 1.00 0.00 O ATOM 781 CB TYR A 55 -1.061 0.488 6.551 1.00 0.00 C ATOM 782 CG TYR A 55 -0.658 1.123 7.862 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.178 0.350 8.912 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.759 2.496 8.052 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.191 0.926 10.113 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.391 3.081 9.248 1.00 0.00 C ATOM 787 CZ TYR A 55 0.083 2.292 10.276 1.00 0.00 C ATOM 788 OH TYR A 55 0.449 2.870 11.469 1.00 0.00 O ATOM 0 H TYR A 55 -1.979 -1.987 7.528 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.197 0.595 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.318 -0.260 6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.052 1.249 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.092 -0.719 8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.132 3.116 7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.562 0.310 10.919 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.474 4.150 9.378 1.00 0.00 H new ATOM 0 HH TYR A 55 1.419 3.010 11.481 1.00 0.00 H new ATOM 798 N ARG A 56 -3.138 -0.049 4.269 1.00 0.00 N ATOM 799 CA ARG A 56 -3.448 -0.567 2.942 1.00 0.00 C ATOM 800 C ARG A 56 -2.397 -0.129 1.927 1.00 0.00 C ATOM 801 O ARG A 56 -2.350 1.036 1.531 1.00 0.00 O ATOM 802 CB ARG A 56 -4.832 -0.092 2.496 1.00 0.00 C ATOM 803 CG ARG A 56 -5.958 -1.032 2.896 1.00 0.00 C ATOM 804 CD ARG A 56 -7.132 -0.936 1.934 1.00 0.00 C ATOM 805 NE ARG A 56 -8.230 -1.816 2.322 1.00 0.00 N ATOM 806 CZ ARG A 56 -9.474 -1.681 1.875 1.00 0.00 C ATOM 807 NH1 ARG A 56 -9.775 -0.706 1.029 1.00 0.00 N ATOM 808 NH2 ARG A 56 -10.419 -2.522 2.274 1.00 0.00 N ATOM 0 H ARG A 56 -3.261 0.959 4.367 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.444 -1.656 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.024 0.893 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.835 0.024 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.587 -2.057 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.293 -0.792 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.488 0.094 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.799 -1.193 0.929 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.031 -2.576 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.051 -0.057 0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.731 -0.604 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.191 -3.274 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.373 -2.417 1.930 1.00 0.00 H new ATOM 822 N ILE A 57 -1.555 -1.069 1.511 1.00 0.00 N ATOM 823 CA ILE A 57 -0.505 -0.780 0.543 1.00 0.00 C ATOM 824 C ILE A 57 -0.940 -1.158 -0.869 1.00 0.00 C ATOM 825 O ILE A 57 -1.261 -2.315 -1.141 1.00 0.00 O ATOM 826 CB ILE A 57 0.798 -1.527 0.884 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.259 -1.172 2.299 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.881 -1.195 -0.131 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.453 -1.975 2.765 1.00 0.00 C ATOM 0 H ILE A 57 -1.580 -2.038 1.830 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.321 0.293 0.589 1.00 0.00 H new ATOM 0 HB ILE A 57 0.606 -2.599 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.508 -0.111 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.433 -1.330 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.795 -1.731 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.551 -1.494 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.074 -0.122 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.724 -1.670 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.202 -3.036 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.294 -1.799 2.095 1.00 0.00 H new ATOM 841 N SER A 58 -0.946 -0.176 -1.764 1.00 0.00 N ATOM 842 CA SER A 58 -1.343 -0.405 -3.148 1.00 0.00 C ATOM 843 C SER A 58 -0.134 -0.351 -4.076 1.00 0.00 C ATOM 844 O SER A 58 0.587 0.646 -4.119 1.00 0.00 O ATOM 845 CB SER A 58 -2.380 0.633 -3.582 1.00 0.00 C ATOM 846 OG SER A 58 -2.857 0.362 -4.889 1.00 0.00 O ATOM 0 H SER A 58 -0.680 0.786 -1.555 1.00 0.00 H new ATOM 0 HA SER A 58 -1.785 -1.399 -3.213 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.214 0.634 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.937 1.629 -3.552 1.00 0.00 H new ATOM 0 HG SER A 58 -3.519 1.038 -5.142 1.00 0.00 H new ATOM 852 N HIS A 59 0.083 -1.433 -4.819 1.00 0.00 N ATOM 853 CA HIS A 59 1.205 -1.510 -5.747 1.00 0.00 C ATOM 854 C HIS A 59 0.738 -1.963 -7.127 1.00 0.00 C ATOM 855 O HIS A 59 0.367 -3.121 -7.320 1.00 0.00 O ATOM 856 CB HIS A 59 2.269 -2.471 -5.216 1.00 0.00 C ATOM 857 CG HIS A 59 1.748 -3.848 -4.940 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.263 -4.981 -5.534 1.00 0.00 N ATOM 859 CD2 HIS A 59 0.753 -4.271 -4.126 1.00 0.00 C ATOM 860 CE1 HIS A 59 1.606 -6.041 -5.099 1.00 0.00 C ATOM 861 NE2 HIS A 59 0.685 -5.638 -4.242 1.00 0.00 N ATOM 0 H HIS A 59 -0.503 -2.267 -4.796 1.00 0.00 H new ATOM 0 HA HIS A 59 1.638 -0.514 -5.837 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.081 -2.537 -5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.692 -2.061 -4.299 1.00 0.00 H new ATOM 0 HD1 HIS A 59 3.031 -4.998 -6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.129 -3.649 -3.501 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.790 -7.063 -5.394 1.00 0.00 H new ATOM 870 N VAL A 60 0.757 -1.041 -8.085 1.00 0.00 N ATOM 871 CA VAL A 60 0.336 -1.345 -9.448 1.00 0.00 C ATOM 872 C VAL A 60 1.510 -1.265 -10.417 1.00 0.00 C ATOM 873 O VAL A 60 2.431 -0.471 -10.227 1.00 0.00 O ATOM 874 CB VAL A 60 -0.772 -0.385 -9.920 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.283 -0.793 -11.293 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.908 -0.345 -8.909 1.00 0.00 C ATOM 0 H VAL A 60 1.059 -0.077 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.055 -2.363 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.351 0.617 -9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.065 -0.103 -11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.462 -0.765 -12.010 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.688 -1.804 -11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.682 0.338 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.330 -1.344 -8.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.527 -0.001 -7.947 1.00 0.00 H new ATOM 886 N TRP A 61 1.469 -2.092 -11.455 1.00 0.00 N ATOM 887 CA TRP A 61 2.531 -2.114 -12.456 1.00 0.00 C ATOM 888 C TRP A 61 1.996 -1.713 -13.826 1.00 0.00 C ATOM 889 O TRP A 61 0.971 -2.226 -14.275 1.00 0.00 O ATOM 890 CB TRP A 61 3.162 -3.505 -12.528 1.00 0.00 C ATOM 891 CG TRP A 61 3.578 -4.039 -11.190 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.770 -4.613 -10.250 1.00 0.00 C ATOM 893 CD2 TRP A 61 4.901 -4.046 -10.644 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.512 -4.977 -9.152 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.822 -4.641 -9.369 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.145 -3.610 -11.107 1.00 0.00 C ATOM 897 CZ2 TRP A 61 5.939 -4.807 -8.555 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.253 -3.776 -10.298 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.145 -4.371 -9.034 1.00 0.00 C ATOM 0 H TRP A 61 0.713 -2.756 -11.626 1.00 0.00 H new ATOM 0 HA TRP A 61 3.292 -1.392 -12.159 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.451 -4.196 -12.982 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.032 -3.468 -13.183 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.705 -4.759 -10.354 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.146 -5.425 -8.312 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.239 -3.151 -12.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 5.857 -5.264 -7.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.219 -3.441 -10.646 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.030 -4.488 -8.426 1.00 0.00 H new ATOM 910 N GLN A 62 2.695 -0.795 -14.485 1.00 0.00 N ATOM 911 CA GLN A 62 2.289 -0.327 -15.804 1.00 0.00 C ATOM 912 C GLN A 62 3.483 -0.261 -16.751 1.00 0.00 C ATOM 913 O GLN A 62 4.301 0.655 -16.670 1.00 0.00 O ATOM 914 CB GLN A 62 1.630 1.050 -15.699 1.00 0.00 C ATOM 915 CG GLN A 62 0.129 0.989 -15.466 1.00 0.00 C ATOM 916 CD GLN A 62 -0.597 2.201 -16.017 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.316 3.336 -15.630 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.535 1.967 -16.927 1.00 0.00 N ATOM 0 H GLN A 62 3.545 -0.361 -14.127 1.00 0.00 H new ATOM 0 HA GLN A 62 1.568 -1.038 -16.207 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.094 1.604 -14.883 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.825 1.608 -16.615 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.271 0.088 -15.931 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.066 0.909 -14.397 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.735 1.010 -17.219 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.055 2.744 -17.334 1.00 0.00 H new ATOM 927 N SER A 63 3.576 -1.238 -17.646 1.00 0.00 N ATOM 928 CA SER A 63 4.673 -1.294 -18.606 1.00 0.00 C ATOM 929 C SER A 63 4.150 -1.195 -20.036 1.00 0.00 C ATOM 930 O SER A 63 3.031 -1.617 -20.329 1.00 0.00 O ATOM 931 CB SER A 63 5.468 -2.589 -18.430 1.00 0.00 C ATOM 932 OG SER A 63 6.267 -2.856 -19.569 1.00 0.00 O ATOM 0 H SER A 63 2.905 -2.002 -17.727 1.00 0.00 H new ATOM 0 HA SER A 63 5.330 -0.445 -18.419 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.102 -2.513 -17.547 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.783 -3.420 -18.260 1.00 0.00 H new ATOM 0 HG SER A 63 6.766 -3.688 -19.431 1.00 0.00 H new ATOM 938 N ALA A 64 4.967 -0.635 -20.921 1.00 0.00 N ATOM 939 CA ALA A 64 4.589 -0.482 -22.320 1.00 0.00 C ATOM 940 C ALA A 64 4.236 -1.828 -22.944 1.00 0.00 C ATOM 941 O ALA A 64 5.117 -2.597 -23.325 1.00 0.00 O ATOM 942 CB ALA A 64 5.712 0.185 -23.101 1.00 0.00 C ATOM 0 H ALA A 64 5.896 -0.279 -20.694 1.00 0.00 H new ATOM 0 HA ALA A 64 3.704 0.153 -22.364 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.415 0.293 -24.144 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.915 1.169 -22.678 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.611 -0.428 -23.041 1.00 0.00 H new ATOM 948 N GLY A 65 2.940 -2.108 -23.043 1.00 0.00 N ATOM 949 CA GLY A 65 2.493 -3.362 -23.620 1.00 0.00 C ATOM 950 C GLY A 65 1.875 -4.287 -22.590 1.00 0.00 C ATOM 951 O GLY A 65 1.034 -5.123 -22.923 1.00 0.00 O ATOM 0 H GLY A 65 2.191 -1.488 -22.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.764 -3.158 -24.404 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.338 -3.863 -24.093 1.00 0.00 H new ATOM 955 N ILE A 66 2.293 -4.138 -21.338 1.00 0.00 N ATOM 956 CA ILE A 66 1.775 -4.968 -20.257 1.00 0.00 C ATOM 957 C ILE A 66 1.390 -4.119 -19.050 1.00 0.00 C ATOM 958 O ILE A 66 2.199 -3.344 -18.540 1.00 0.00 O ATOM 959 CB ILE A 66 2.803 -6.028 -19.819 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.874 -7.157 -20.848 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.444 -6.577 -18.446 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.519 -7.713 -21.230 1.00 0.00 C ATOM 0 H ILE A 66 2.988 -3.451 -21.047 1.00 0.00 H new ATOM 0 HA ILE A 66 0.888 -5.472 -20.642 1.00 0.00 H new ATOM 0 HB ILE A 66 3.784 -5.558 -19.756 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.373 -6.789 -21.745 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.489 -7.963 -20.449 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.179 -7.325 -18.150 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.439 -5.765 -17.719 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.456 -7.035 -18.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.646 -8.510 -21.963 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.026 -8.111 -20.343 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.908 -6.919 -21.659 1.00 0.00 H new ATOM 974 N SER A 67 0.151 -4.274 -18.596 1.00 0.00 N ATOM 975 CA SER A 67 -0.343 -3.521 -17.449 1.00 0.00 C ATOM 976 C SER A 67 -1.005 -4.448 -16.434 1.00 0.00 C ATOM 977 O SER A 67 -2.041 -5.052 -16.711 1.00 0.00 O ATOM 978 CB SER A 67 -1.338 -2.451 -17.904 1.00 0.00 C ATOM 979 OG SER A 67 -2.508 -3.040 -18.444 1.00 0.00 O ATOM 0 H SER A 67 -0.530 -4.914 -19.005 1.00 0.00 H new ATOM 0 HA SER A 67 0.508 -3.036 -16.971 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.604 -1.814 -17.060 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.871 -1.810 -18.652 1.00 0.00 H new ATOM 0 HG SER A 67 -2.641 -3.926 -18.048 1.00 0.00 H new ATOM 985 N LYS A 68 -0.398 -4.556 -15.257 1.00 0.00 N ATOM 986 CA LYS A 68 -0.927 -5.408 -14.198 1.00 0.00 C ATOM 987 C LYS A 68 -1.211 -4.596 -12.938 1.00 0.00 C ATOM 988 O LYS A 68 -0.598 -3.554 -12.709 1.00 0.00 O ATOM 989 CB LYS A 68 0.060 -6.534 -13.881 1.00 0.00 C ATOM 990 CG LYS A 68 0.065 -7.647 -14.914 1.00 0.00 C ATOM 991 CD LYS A 68 0.793 -8.879 -14.402 1.00 0.00 C ATOM 992 CE LYS A 68 0.240 -10.152 -15.025 1.00 0.00 C ATOM 993 NZ LYS A 68 1.276 -11.218 -15.120 1.00 0.00 N ATOM 0 H LYS A 68 0.461 -4.064 -15.012 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.864 -5.842 -14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.064 -6.115 -13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.184 -6.956 -12.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.961 -7.910 -15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.543 -7.294 -15.828 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.856 -8.795 -14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.700 -8.933 -13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.599 -10.513 -14.430 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.146 -9.931 -16.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.860 -12.069 -15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.065 -10.883 -15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.627 -11.447 -14.168 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.143 -5.083 -12.125 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.507 -4.402 -10.888 1.00 0.00 C ATOM 1009 C GLU A 69 -2.496 -5.371 -9.709 1.00 0.00 C ATOM 1010 O GLU A 69 -3.013 -6.485 -9.803 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.889 -3.758 -11.021 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.388 -3.117 -9.737 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.769 -2.510 -9.887 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -6.713 -3.259 -10.214 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -5.906 -1.287 -9.677 1.00 0.00 O ATOM 0 H GLU A 69 -2.659 -5.945 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.768 -3.623 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.854 -3.002 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.604 -4.516 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.408 -3.866 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.687 -2.343 -9.425 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.904 -4.940 -8.601 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.825 -5.769 -7.404 1.00 0.00 C ATOM 1024 C LEU A 70 -2.097 -4.943 -6.151 1.00 0.00 C ATOM 1025 O LEU A 70 -1.971 -3.718 -6.162 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.447 -6.428 -7.305 1.00 0.00 C ATOM 1027 CG LEU A 70 -0.173 -7.561 -8.295 1.00 0.00 C ATOM 1028 CD1 LEU A 70 1.311 -7.640 -8.618 1.00 0.00 C ATOM 1029 CD2 LEU A 70 -0.670 -8.887 -7.738 1.00 0.00 C ATOM 0 H LEU A 70 -1.472 -4.021 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.587 -6.545 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.313 -5.659 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.324 -6.818 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.714 -7.351 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.487 -8.452 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.638 -6.698 -9.059 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.873 -7.827 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.467 -9.682 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.156 -9.104 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.743 -8.827 -7.558 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.468 -5.622 -5.070 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.756 -4.951 -3.807 1.00 0.00 C ATOM 1043 C LEU A 71 -2.229 -5.762 -2.628 1.00 0.00 C ATOM 1044 O LEU A 71 -2.575 -6.931 -2.462 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.262 -4.730 -3.656 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.686 -3.666 -2.643 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.090 -3.964 -1.276 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.269 -2.281 -3.118 1.00 0.00 C ATOM 0 H LEU A 71 -2.576 -6.636 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.252 -3.984 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.669 -4.458 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.721 -5.677 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.772 -3.687 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.402 -3.197 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.438 -4.938 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.002 -3.971 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.579 -1.536 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.186 -2.247 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.743 -2.067 -4.076 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.391 -5.132 -1.810 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.818 -5.796 -0.645 1.00 0.00 C ATOM 1062 C GLU A 72 -1.620 -5.475 0.613 1.00 0.00 C ATOM 1063 O GLU A 72 -2.365 -4.497 0.653 1.00 0.00 O ATOM 1064 CB GLU A 72 0.640 -5.372 -0.455 1.00 0.00 C ATOM 1065 CG GLU A 72 1.498 -6.429 0.221 1.00 0.00 C ATOM 1066 CD GLU A 72 1.537 -7.732 -0.553 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.640 -8.575 -0.343 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.465 -7.908 -1.371 1.00 0.00 O ATOM 0 H GLU A 72 -1.094 -4.164 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.857 -6.872 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.070 -5.134 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.670 -4.458 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.513 -6.049 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.113 -6.618 1.223 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.461 -6.308 1.637 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.172 -6.114 2.896 1.00 0.00 C ATOM 1077 C GLU A 73 -1.222 -6.248 4.082 1.00 0.00 C ATOM 1078 O GLU A 73 -0.550 -7.267 4.243 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.312 -7.127 3.024 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.251 -7.141 1.830 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.258 -8.273 1.893 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -6.028 -8.327 2.875 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.276 -9.104 0.962 1.00 0.00 O ATOM 0 H GLU A 73 -0.847 -7.122 1.620 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.589 -5.107 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.889 -8.123 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.885 -6.904 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.782 -6.190 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.667 -7.230 0.914 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.172 -5.210 4.912 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.305 -5.210 6.085 1.00 0.00 C ATOM 1092 C VAL A 74 -1.085 -4.851 7.344 1.00 0.00 C ATOM 1093 O VAL A 74 -2.092 -4.147 7.284 1.00 0.00 O ATOM 1094 CB VAL A 74 0.864 -4.222 5.919 1.00 0.00 C ATOM 1095 CG1 VAL A 74 2.062 -4.912 5.286 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.432 -3.020 5.091 1.00 0.00 C ATOM 0 H VAL A 74 -1.721 -4.359 4.794 1.00 0.00 H new ATOM 0 HA VAL A 74 0.094 -6.219 6.184 1.00 0.00 H new ATOM 0 HB VAL A 74 1.160 -3.868 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.878 -4.197 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.385 -5.737 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.784 -5.297 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.270 -2.332 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.109 -3.354 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.393 -2.512 5.590 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.613 -5.341 8.487 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.278 -5.061 9.746 1.00 0.00 C ATOM 1108 C GLY A 75 -0.648 -3.898 10.488 1.00 0.00 C ATOM 1109 O GLY A 75 0.340 -3.325 10.031 1.00 0.00 O ATOM 0 H GLY A 75 0.218 -5.927 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.329 -4.841 9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.246 -5.950 10.376 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.223 -3.549 11.634 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.713 -2.446 12.439 1.00 0.00 C ATOM 1115 C GLN A 76 0.735 -2.694 12.848 1.00 0.00 C ATOM 1116 O GLN A 76 1.566 -1.789 12.803 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.581 -2.251 13.684 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.662 -3.485 14.568 1.00 0.00 C ATOM 1119 CD GLN A 76 -0.575 -3.519 15.624 1.00 0.00 C ATOM 1120 OE1 GLN A 76 0.486 -2.916 15.459 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -0.833 -4.226 16.718 1.00 0.00 N ATOM 0 H GLN A 76 -2.042 -4.014 12.026 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.750 -1.540 11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.183 -1.421 14.268 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.587 -1.969 13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.637 -3.515 15.055 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.588 -4.378 13.947 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.726 -4.710 16.814 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.139 -4.285 17.463 1.00 0.00 H new ATOM 1130 N ASN A 77 1.029 -3.927 13.246 1.00 0.00 N ATOM 1131 CA ASN A 77 2.377 -4.295 13.664 1.00 0.00 C ATOM 1132 C ASN A 77 3.385 -4.021 12.551 1.00 0.00 C ATOM 1133 O ASN A 77 4.262 -3.170 12.690 1.00 0.00 O ATOM 1134 CB ASN A 77 2.426 -5.772 14.059 1.00 0.00 C ATOM 1135 CG ASN A 77 1.630 -6.650 13.114 1.00 0.00 C ATOM 1136 OD1 ASN A 77 2.151 -7.128 12.106 1.00 0.00 O ATOM 1137 ND2 ASN A 77 0.360 -6.867 13.436 1.00 0.00 N ATOM 0 H ASN A 77 0.352 -4.689 13.288 1.00 0.00 H new ATOM 0 HA ASN A 77 2.642 -3.686 14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.463 -6.107 14.075 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.038 -5.888 15.071 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.225 -7.450 12.838 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.030 -6.450 14.281 1.00 0.00 H new ATOM 1144 N GLY A 78 3.251 -4.749 11.447 1.00 0.00 N ATOM 1145 CA GLY A 78 4.156 -4.569 10.326 1.00 0.00 C ATOM 1146 C GLY A 78 4.568 -3.123 10.140 1.00 0.00 C ATOM 1147 O GLY A 78 3.799 -2.313 9.623 1.00 0.00 O ATOM 0 H GLY A 78 2.533 -5.460 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.045 -5.180 10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.677 -4.927 9.415 1.00 0.00 H new ATOM 1151 N SER A 79 5.785 -2.797 10.563 1.00 0.00 N ATOM 1152 CA SER A 79 6.296 -1.436 10.445 1.00 0.00 C ATOM 1153 C SER A 79 6.799 -1.166 9.030 1.00 0.00 C ATOM 1154 O SER A 79 6.929 -0.014 8.615 1.00 0.00 O ATOM 1155 CB SER A 79 7.424 -1.203 11.452 1.00 0.00 C ATOM 1156 OG SER A 79 6.941 -1.273 12.783 1.00 0.00 O ATOM 0 H SER A 79 6.435 -3.456 10.990 1.00 0.00 H new ATOM 0 HA SER A 79 5.479 -0.747 10.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.206 -1.948 11.306 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.877 -0.227 11.277 1.00 0.00 H new ATOM 0 HG SER A 79 7.681 -1.123 13.408 1.00 0.00 H new ATOM 1162 N ARG A 80 7.081 -2.236 8.294 1.00 0.00 N ATOM 1163 CA ARG A 80 7.571 -2.115 6.926 1.00 0.00 C ATOM 1164 C ARG A 80 6.951 -3.184 6.031 1.00 0.00 C ATOM 1165 O ARG A 80 6.168 -4.015 6.490 1.00 0.00 O ATOM 1166 CB ARG A 80 9.096 -2.231 6.896 1.00 0.00 C ATOM 1167 CG ARG A 80 9.604 -3.649 7.102 1.00 0.00 C ATOM 1168 CD ARG A 80 9.777 -3.969 8.579 1.00 0.00 C ATOM 1169 NE ARG A 80 10.985 -3.363 9.132 1.00 0.00 N ATOM 1170 CZ ARG A 80 12.215 -3.711 8.768 1.00 0.00 C ATOM 1171 NH1 ARG A 80 12.398 -4.655 7.856 1.00 0.00 N ATOM 1172 NH2 ARG A 80 13.264 -3.113 9.318 1.00 0.00 N ATOM 0 H ARG A 80 6.979 -3.196 8.622 1.00 0.00 H new ATOM 0 HA ARG A 80 7.281 -1.135 6.547 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.461 -1.859 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.516 -1.588 7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.905 -4.356 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.557 -3.774 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.907 -3.613 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.819 -5.050 8.713 1.00 0.00 H new ATOM 0 HE ARG A 80 10.879 -2.633 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.594 -5.117 7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.343 -4.920 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.127 -2.386 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.208 -3.380 9.039 1.00 0.00 H new ATOM 1186 N ALA A 81 7.308 -3.156 4.751 1.00 0.00 N ATOM 1187 CA ALA A 81 6.789 -4.123 3.791 1.00 0.00 C ATOM 1188 C ALA A 81 7.756 -4.316 2.628 1.00 0.00 C ATOM 1189 O ALA A 81 8.503 -3.405 2.273 1.00 0.00 O ATOM 1190 CB ALA A 81 5.427 -3.679 3.280 1.00 0.00 C ATOM 0 H ALA A 81 7.955 -2.474 4.355 1.00 0.00 H new ATOM 0 HA ALA A 81 6.680 -5.081 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.051 -4.410 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.733 -3.600 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.520 -2.708 2.793 1.00 0.00 H new ATOM 1196 N ARG A 82 7.736 -5.507 2.040 1.00 0.00 N ATOM 1197 CA ARG A 82 8.613 -5.820 0.918 1.00 0.00 C ATOM 1198 C ARG A 82 7.903 -6.714 -0.094 1.00 0.00 C ATOM 1199 O ARG A 82 7.297 -7.722 0.271 1.00 0.00 O ATOM 1200 CB ARG A 82 9.887 -6.506 1.415 1.00 0.00 C ATOM 1201 CG ARG A 82 10.825 -6.932 0.297 1.00 0.00 C ATOM 1202 CD ARG A 82 12.098 -7.557 0.846 1.00 0.00 C ATOM 1203 NE ARG A 82 11.865 -8.898 1.374 1.00 0.00 N ATOM 1204 CZ ARG A 82 11.451 -9.138 2.613 1.00 0.00 C ATOM 1205 NH1 ARG A 82 11.225 -8.132 3.447 1.00 0.00 N ATOM 1206 NH2 ARG A 82 11.262 -10.387 3.021 1.00 0.00 N ATOM 0 H ARG A 82 7.122 -6.271 2.322 1.00 0.00 H new ATOM 0 HA ARG A 82 8.880 -4.885 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.417 -5.828 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.612 -7.383 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.318 -7.646 -0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.078 -6.067 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.849 -7.603 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.503 -6.922 1.634 1.00 0.00 H new ATOM 0 HE ARG A 82 12.029 -9.694 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.369 -7.171 3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.907 -8.319 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.435 -11.164 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.944 -10.570 3.973 1.00 0.00 H new ATOM 1220 N ILE A 83 7.982 -6.338 -1.366 1.00 0.00 N ATOM 1221 CA ILE A 83 7.348 -7.106 -2.430 1.00 0.00 C ATOM 1222 C ILE A 83 8.351 -7.467 -3.520 1.00 0.00 C ATOM 1223 O ILE A 83 9.124 -6.623 -3.971 1.00 0.00 O ATOM 1224 CB ILE A 83 6.177 -6.330 -3.063 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.531 -5.405 -2.029 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.148 -7.296 -3.632 1.00 0.00 C ATOM 1227 CD1 ILE A 83 4.439 -4.529 -2.601 1.00 0.00 C ATOM 0 H ILE A 83 8.479 -5.506 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 83 6.965 -8.019 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 83 6.564 -5.719 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.116 -6.009 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.301 -4.771 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.327 -6.733 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.616 -7.918 -4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.763 -7.930 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.026 -3.900 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.853 -3.899 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.649 -5.156 -3.016 1.00 0.00 H new ATOM 1239 N SER A 84 8.331 -8.728 -3.940 1.00 0.00 N ATOM 1240 CA SER A 84 9.240 -9.203 -4.977 1.00 0.00 C ATOM 1241 C SER A 84 8.909 -8.567 -6.323 1.00 0.00 C ATOM 1242 O SER A 84 7.874 -8.858 -6.922 1.00 0.00 O ATOM 1243 CB SER A 84 9.168 -10.727 -5.088 1.00 0.00 C ATOM 1244 OG SER A 84 9.699 -11.349 -3.931 1.00 0.00 O ATOM 0 H SER A 84 7.695 -9.439 -3.578 1.00 0.00 H new ATOM 0 HA SER A 84 10.253 -8.913 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.132 -11.036 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.720 -11.057 -5.968 1.00 0.00 H new ATOM 0 HG SER A 84 10.436 -10.808 -3.577 1.00 0.00 H new ATOM 1250 N VAL A 85 9.796 -7.696 -6.793 1.00 0.00 N ATOM 1251 CA VAL A 85 9.601 -7.018 -8.069 1.00 0.00 C ATOM 1252 C VAL A 85 8.860 -7.912 -9.058 1.00 0.00 C ATOM 1253 O VAL A 85 9.432 -8.854 -9.606 1.00 0.00 O ATOM 1254 CB VAL A 85 10.944 -6.588 -8.688 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.746 -6.125 -10.124 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.590 -5.495 -7.851 1.00 0.00 C ATOM 0 H VAL A 85 10.657 -7.443 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 85 9.003 -6.130 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 85 11.612 -7.449 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.706 -5.825 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.329 -6.941 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.061 -5.277 -10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.538 -5.203 -8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.927 -4.631 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.768 -5.867 -6.842 1.00 0.00 H new ATOM 1266 N GLN A 86 7.586 -7.609 -9.281 1.00 0.00 N ATOM 1267 CA GLN A 86 6.767 -8.386 -10.205 1.00 0.00 C ATOM 1268 C GLN A 86 7.213 -8.164 -11.646 1.00 0.00 C ATOM 1269 O GLN A 86 7.537 -9.114 -12.359 1.00 0.00 O ATOM 1270 CB GLN A 86 5.292 -8.010 -10.052 1.00 0.00 C ATOM 1271 CG GLN A 86 4.606 -8.700 -8.884 1.00 0.00 C ATOM 1272 CD GLN A 86 5.277 -8.407 -7.557 1.00 0.00 C ATOM 1273 OE1 GLN A 86 6.016 -7.431 -7.424 1.00 0.00 O ATOM 1274 NE2 GLN A 86 5.022 -9.253 -6.565 1.00 0.00 N ATOM 0 H GLN A 86 7.098 -6.832 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 86 6.893 -9.441 -9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.212 -6.931 -9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.764 -8.261 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 86 3.565 -8.380 -8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.602 -9.777 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.403 -10.049 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.445 -9.107 -5.648 1.00 0.00 H new ATOM 1283 N VAL A 87 7.228 -6.904 -12.069 1.00 0.00 N ATOM 1284 CA VAL A 87 7.636 -6.558 -13.426 1.00 0.00 C ATOM 1285 C VAL A 87 8.831 -5.612 -13.416 1.00 0.00 C ATOM 1286 O VAL A 87 8.877 -4.661 -12.635 1.00 0.00 O ATOM 1287 CB VAL A 87 6.483 -5.903 -14.208 1.00 0.00 C ATOM 1288 CG1 VAL A 87 7.020 -5.120 -15.396 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.482 -6.955 -14.662 1.00 0.00 C ATOM 0 H VAL A 87 6.962 -6.106 -11.492 1.00 0.00 H new ATOM 0 HA VAL A 87 7.917 -7.488 -13.919 1.00 0.00 H new ATOM 0 HB VAL A 87 5.969 -5.206 -13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.190 -4.664 -15.936 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.695 -4.340 -15.043 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.560 -5.793 -16.061 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.674 -6.474 -15.213 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.981 -7.678 -15.307 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.073 -7.468 -13.791 1.00 0.00 H new ATOM 1299 N HIS A 88 9.797 -5.878 -14.289 1.00 0.00 N ATOM 1300 CA HIS A 88 10.994 -5.049 -14.382 1.00 0.00 C ATOM 1301 C HIS A 88 10.914 -4.112 -15.583 1.00 0.00 C ATOM 1302 O HIS A 88 10.314 -4.447 -16.604 1.00 0.00 O ATOM 1303 CB HIS A 88 12.241 -5.927 -14.487 1.00 0.00 C ATOM 1304 CG HIS A 88 12.588 -6.630 -13.211 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.051 -7.848 -12.853 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.426 -6.280 -12.207 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.541 -8.216 -11.682 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.379 -7.282 -11.269 1.00 0.00 N ATOM 0 H HIS A 88 9.775 -6.661 -14.942 1.00 0.00 H new ATOM 0 HA HIS A 88 11.059 -4.445 -13.477 1.00 0.00 H new ATOM 0 HB2 HIS A 88 12.088 -6.669 -15.271 1.00 0.00 H new ATOM 0 HB3 HIS A 88 13.085 -5.309 -14.793 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.021 -5.380 -12.154 1.00 0.00 H new ATOM 0 HE1 HIS A 88 12.298 -9.125 -11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 88 13.905 -7.302 -10.396 1.00 0.00 H new ATOM 1317 N ASN A 89 11.521 -2.937 -15.453 1.00 0.00 N ATOM 1318 CA ASN A 89 11.517 -1.951 -16.528 1.00 0.00 C ATOM 1319 C ASN A 89 10.120 -1.371 -16.728 1.00 0.00 C ATOM 1320 O ASN A 89 9.668 -1.191 -17.858 1.00 0.00 O ATOM 1321 CB ASN A 89 12.010 -2.584 -17.831 1.00 0.00 C ATOM 1322 CG ASN A 89 12.404 -1.547 -18.864 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.876 -0.435 -18.877 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.336 -1.908 -19.739 1.00 0.00 N ATOM 0 H ASN A 89 12.022 -2.644 -14.614 1.00 0.00 H new ATOM 0 HA ASN A 89 12.191 -1.141 -16.248 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.866 -3.225 -17.619 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.227 -3.222 -18.241 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.641 -1.253 -20.459 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.747 -2.840 -19.691 1.00 0.00 H new ATOM 1331 N ALA A 90 9.443 -1.078 -15.622 1.00 0.00 N ATOM 1332 CA ALA A 90 8.100 -0.515 -15.676 1.00 0.00 C ATOM 1333 C ALA A 90 7.908 0.552 -14.603 1.00 0.00 C ATOM 1334 O ALA A 90 8.790 0.780 -13.775 1.00 0.00 O ATOM 1335 CB ALA A 90 7.060 -1.615 -15.521 1.00 0.00 C ATOM 0 H ALA A 90 9.803 -1.221 -14.678 1.00 0.00 H new ATOM 0 HA ALA A 90 7.970 -0.042 -16.649 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.061 -1.180 -15.563 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.174 -2.340 -16.327 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.198 -2.114 -14.562 1.00 0.00 H new ATOM 1341 N THR A 91 6.750 1.204 -14.624 1.00 0.00 N ATOM 1342 CA THR A 91 6.443 2.248 -13.654 1.00 0.00 C ATOM 1343 C THR A 91 5.426 1.763 -12.627 1.00 0.00 C ATOM 1344 O THR A 91 4.297 1.416 -12.974 1.00 0.00 O ATOM 1345 CB THR A 91 5.896 3.512 -14.344 1.00 0.00 C ATOM 1346 OG1 THR A 91 5.043 3.145 -15.434 1.00 0.00 O ATOM 1347 CG2 THR A 91 7.033 4.384 -14.854 1.00 0.00 C ATOM 0 H THR A 91 6.009 1.028 -15.302 1.00 0.00 H new ATOM 0 HA THR A 91 7.377 2.494 -13.148 1.00 0.00 H new ATOM 0 HB THR A 91 5.323 4.081 -13.611 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.531 2.345 -15.194 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.623 5.271 -15.337 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.664 4.686 -14.018 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.629 3.821 -15.573 1.00 0.00 H new ATOM 1355 N CYS A 92 5.834 1.742 -11.363 1.00 0.00 N ATOM 1356 CA CYS A 92 4.957 1.300 -10.284 1.00 0.00 C ATOM 1357 C CYS A 92 4.637 2.451 -9.337 1.00 0.00 C ATOM 1358 O CYS A 92 5.481 3.308 -9.075 1.00 0.00 O ATOM 1359 CB CYS A 92 5.606 0.152 -9.510 1.00 0.00 C ATOM 1360 SG CYS A 92 4.638 -0.427 -8.097 1.00 0.00 S ATOM 0 H CYS A 92 6.766 2.026 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 92 4.025 0.949 -10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.771 -0.683 -10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.586 0.474 -9.158 1.00 0.00 H new ATOM 0 HG CYS A 92 3.422 -0.683 -8.479 1.00 0.00 H new ATOM 1366 N THR A 93 3.409 2.466 -8.826 1.00 0.00 N ATOM 1367 CA THR A 93 2.976 3.513 -7.909 1.00 0.00 C ATOM 1368 C THR A 93 2.585 2.932 -6.555 1.00 0.00 C ATOM 1369 O THR A 93 1.642 2.148 -6.454 1.00 0.00 O ATOM 1370 CB THR A 93 1.782 4.301 -8.481 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.985 4.554 -9.876 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.600 5.618 -7.743 1.00 0.00 C ATOM 0 H THR A 93 2.697 1.765 -9.032 1.00 0.00 H new ATOM 0 HA THR A 93 3.821 4.189 -7.780 1.00 0.00 H new ATOM 0 HB THR A 93 0.882 3.701 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.221 5.054 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.751 6.157 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.417 5.421 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.501 6.222 -7.848 1.00 0.00 H new ATOM 1380 N VAL A 94 3.316 3.322 -5.516 1.00 0.00 N ATOM 1381 CA VAL A 94 3.045 2.841 -4.167 1.00 0.00 C ATOM 1382 C VAL A 94 2.165 3.823 -3.400 1.00 0.00 C ATOM 1383 O VAL A 94 2.292 5.037 -3.555 1.00 0.00 O ATOM 1384 CB VAL A 94 4.349 2.614 -3.379 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.069 1.856 -2.090 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.364 1.871 -4.234 1.00 0.00 C ATOM 0 H VAL A 94 4.101 3.970 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 94 2.521 1.891 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 94 4.769 3.585 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.002 1.705 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.379 2.431 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.626 0.889 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.279 1.719 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.954 0.904 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.586 2.457 -5.126 1.00 0.00 H new ATOM 1396 N ARG A 95 1.274 3.288 -2.571 1.00 0.00 N ATOM 1397 CA ARG A 95 0.373 4.116 -1.780 1.00 0.00 C ATOM 1398 C ARG A 95 -0.083 3.378 -0.525 1.00 0.00 C ATOM 1399 O ARG A 95 -0.661 2.294 -0.606 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.843 4.525 -2.614 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.484 5.274 -3.888 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.724 5.804 -4.590 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.362 6.880 -3.836 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.160 7.789 -4.385 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.416 7.752 -5.686 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -3.704 8.737 -3.633 1.00 0.00 N ATOM 0 H ARG A 95 1.157 2.285 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 95 0.915 5.012 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.411 3.632 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.496 5.151 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.182 6.103 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.061 4.611 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.452 6.168 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.435 4.990 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.185 6.937 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.000 7.024 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.029 8.451 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.510 8.768 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.317 9.434 -4.056 1.00 0.00 H new ATOM 1420 N ILE A 96 0.181 3.973 0.633 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.203 3.373 1.905 1.00 0.00 C ATOM 1422 C ILE A 96 -1.239 4.228 2.626 1.00 0.00 C ATOM 1423 O ILE A 96 -1.122 5.452 2.677 1.00 0.00 O ATOM 1424 CB ILE A 96 1.016 3.177 2.826 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.193 2.602 2.035 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.659 2.268 3.992 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.403 2.295 2.890 1.00 0.00 C ATOM 0 H ILE A 96 0.659 4.870 0.717 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.635 2.399 1.676 1.00 0.00 H new ATOM 0 HB ILE A 96 1.311 4.147 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.872 1.689 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.478 3.310 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.531 2.139 4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.152 2.715 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.342 1.297 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.198 1.891 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.750 3.209 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.134 1.563 3.652 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.252 3.574 3.185 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.307 4.274 3.907 1.00 0.00 C ATOM 1441 C ALA A 97 -3.486 3.700 5.309 1.00 0.00 C ATOM 1442 O ALA A 97 -2.878 2.689 5.658 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.615 4.199 3.134 1.00 0.00 C ATOM 0 H ALA A 97 -2.364 2.561 3.152 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.015 5.320 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.394 4.726 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.486 4.662 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.903 3.156 3.007 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.323 4.354 6.108 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.583 3.908 7.471 1.00 0.00 C ATOM 1451 C ALA A 98 -5.869 3.093 7.547 1.00 0.00 C ATOM 1452 O ALA A 98 -6.897 3.482 6.991 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.656 5.101 8.412 1.00 0.00 C ATOM 0 H ALA A 98 -4.832 5.194 5.835 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.758 3.266 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.851 4.753 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.709 5.641 8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.460 5.765 8.096 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.806 1.959 8.237 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.967 1.088 8.386 1.00 0.00 C ATOM 1461 C VAL A 99 -7.340 0.916 9.854 1.00 0.00 C ATOM 1462 O VAL A 99 -6.478 0.683 10.702 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.712 -0.298 7.766 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.831 -1.261 8.131 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.564 -0.187 6.256 1.00 0.00 C ATOM 0 H VAL A 99 -4.963 1.621 8.702 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.792 1.567 7.859 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.780 -0.692 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.633 -2.235 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.884 -1.363 9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.779 -0.876 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.384 -1.176 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.477 0.228 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.724 0.466 6.020 1.00 0.00 H new ATOM 1475 N THR A 100 -8.631 1.031 10.148 1.00 0.00 N ATOM 1476 CA THR A 100 -9.120 0.888 11.514 1.00 0.00 C ATOM 1477 C THR A 100 -10.244 -0.138 11.591 1.00 0.00 C ATOM 1478 O THR A 100 -10.665 -0.689 10.574 1.00 0.00 O ATOM 1479 CB THR A 100 -9.626 2.231 12.072 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.790 2.654 11.353 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.547 3.300 11.974 1.00 0.00 C ATOM 0 H THR A 100 -9.357 1.223 9.458 1.00 0.00 H new ATOM 0 HA THR A 100 -8.279 0.546 12.117 1.00 0.00 H new ATOM 0 HB THR A 100 -9.880 2.089 13.122 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.612 2.613 10.390 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.928 4.239 12.374 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.674 2.989 12.547 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.265 3.438 10.930 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.728 -0.389 12.803 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.804 -1.350 13.013 1.00 0.00 C ATOM 1491 C ARG A 101 -13.164 -0.707 12.755 1.00 0.00 C ATOM 1492 O ARG A 101 -14.192 -1.197 13.221 1.00 0.00 O ATOM 1493 CB ARG A 101 -11.752 -1.904 14.438 1.00 0.00 C ATOM 1494 CG ARG A 101 -10.836 -3.108 14.590 1.00 0.00 C ATOM 1495 CD ARG A 101 -10.802 -3.603 16.027 1.00 0.00 C ATOM 1496 NE ARG A 101 -12.074 -4.194 16.433 1.00 0.00 N ATOM 1497 CZ ARG A 101 -12.209 -5.003 17.478 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -11.155 -5.316 18.219 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -13.400 -5.501 17.784 1.00 0.00 N ATOM 0 H ARG A 101 -10.392 0.060 13.655 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.668 -2.170 12.307 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.418 -1.116 15.113 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.759 -2.183 14.747 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.176 -3.910 13.935 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.828 -2.842 14.271 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.008 -4.341 16.137 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.560 -2.773 16.691 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.905 -3.973 15.884 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.237 -4.935 17.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.262 -5.937 19.021 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.213 -5.263 17.217 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.502 -6.122 18.587 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.161 0.393 12.009 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.400 1.085 11.703 1.00 0.00 C ATOM 1515 C GLY A 102 -14.521 1.433 10.232 1.00 0.00 C ATOM 1516 O GLY A 102 -15.598 1.319 9.648 1.00 0.00 O ATOM 0 H GLY A 102 -12.323 0.818 11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.244 0.460 11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.459 1.998 12.295 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.414 1.859 9.633 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.423 2.220 8.227 1.00 0.00 C ATOM 1522 C GLY A 103 -12.043 2.574 7.710 1.00 0.00 C ATOM 1523 O GLY A 103 -11.153 2.925 8.485 1.00 0.00 O ATOM 0 H GLY A 103 -12.511 1.961 10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.824 1.390 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.092 3.067 8.077 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.863 2.479 6.397 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.580 2.791 5.777 1.00 0.00 C ATOM 1529 C VAL A 104 -10.495 4.267 5.404 1.00 0.00 C ATOM 1530 O VAL A 104 -11.502 4.897 5.085 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.345 1.940 4.515 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.383 2.264 3.451 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.937 2.157 3.981 1.00 0.00 C ATOM 0 H VAL A 104 -12.589 2.189 5.742 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.809 2.559 6.511 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.450 0.889 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.201 1.653 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.380 2.053 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.313 3.318 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.788 1.548 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.802 3.209 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.211 1.870 4.742 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.283 4.813 5.447 1.00 0.00 N ATOM 1544 CA GLY A 105 -9.088 6.211 5.111 1.00 0.00 C ATOM 1545 C GLY A 105 -8.373 6.395 3.787 1.00 0.00 C ATOM 1546 O GLY A 105 -8.012 5.430 3.113 1.00 0.00 O ATOM 0 H GLY A 105 -8.434 4.312 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.056 6.710 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.513 6.695 5.901 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.160 7.661 3.396 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.483 7.997 2.140 1.00 0.00 C ATOM 1552 C PRO A 106 -5.998 7.654 2.171 1.00 0.00 C ATOM 1553 O PRO A 106 -5.336 7.810 3.198 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.680 9.511 2.026 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.859 9.976 3.430 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.563 8.860 4.149 1.00 0.00 C ATOM 0 HA PRO A 106 -7.886 7.436 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.819 9.988 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.550 9.752 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.897 10.194 3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.445 10.894 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.258 8.800 5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.645 8.995 4.140 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.479 7.186 1.041 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.071 6.820 0.940 1.00 0.00 C ATOM 1566 C PHE A 107 -3.183 8.059 0.985 1.00 0.00 C ATOM 1567 O PHE A 107 -3.653 9.181 0.795 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.816 6.042 -0.353 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.334 4.632 -0.317 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.685 4.381 -0.140 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.470 3.559 -0.460 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.164 3.085 -0.106 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -3.943 2.261 -0.427 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.292 2.024 -0.251 1.00 0.00 C ATOM 0 H PHE A 107 -6.012 7.051 0.182 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.824 6.186 1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.283 6.571 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.744 6.022 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.371 5.207 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.414 3.739 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.219 2.902 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.259 1.433 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.664 1.011 -0.227 1.00 0.00 H new ATOM 1584 N SER A 108 -1.895 7.847 1.237 1.00 0.00 N ATOM 1585 CA SER A 108 -0.940 8.947 1.312 1.00 0.00 C ATOM 1586 C SER A 108 -0.516 9.394 -0.084 1.00 0.00 C ATOM 1587 O SER A 108 -0.984 8.857 -1.088 1.00 0.00 O ATOM 1588 CB SER A 108 0.289 8.529 2.121 1.00 0.00 C ATOM 1589 OG SER A 108 0.976 7.462 1.491 1.00 0.00 O ATOM 0 H SER A 108 -1.489 6.924 1.393 1.00 0.00 H new ATOM 0 HA SER A 108 -1.427 9.785 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.960 9.380 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.017 8.228 3.123 1.00 0.00 H new ATOM 0 HG SER A 108 0.513 6.619 1.679 1.00 0.00 H new ATOM 1595 N ASP A 109 0.374 10.379 -0.138 1.00 0.00 N ATOM 1596 CA ASP A 109 0.863 10.899 -1.410 1.00 0.00 C ATOM 1597 C ASP A 109 1.545 9.800 -2.219 1.00 0.00 C ATOM 1598 O ASP A 109 2.490 9.156 -1.763 1.00 0.00 O ATOM 1599 CB ASP A 109 1.837 12.054 -1.172 1.00 0.00 C ATOM 1600 CG ASP A 109 1.422 12.930 -0.006 1.00 0.00 C ATOM 1601 OD1 ASP A 109 0.242 13.334 0.042 1.00 0.00 O ATOM 1602 OD2 ASP A 109 2.279 13.211 0.859 1.00 0.00 O ATOM 0 H ASP A 109 0.772 10.833 0.684 1.00 0.00 H new ATOM 0 HA ASP A 109 0.008 11.266 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.833 11.653 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.903 12.662 -2.074 1.00 0.00 H new ATOM 1607 N PRO A 110 1.056 9.580 -3.448 1.00 0.00 N ATOM 1608 CA PRO A 110 1.604 8.559 -4.347 1.00 0.00 C ATOM 1609 C PRO A 110 2.993 8.922 -4.858 1.00 0.00 C ATOM 1610 O PRO A 110 3.264 10.078 -5.182 1.00 0.00 O ATOM 1611 CB PRO A 110 0.600 8.528 -5.502 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.026 9.879 -5.496 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.069 10.310 -4.056 1.00 0.00 C ATOM 0 HA PRO A 110 1.728 7.599 -3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.095 8.325 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.145 7.746 -5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.554 10.580 -6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.028 9.847 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.051 11.389 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.018 10.050 -3.587 1.00 0.00 H new ATOM 1621 N VAL A 111 3.872 7.927 -4.929 1.00 0.00 N ATOM 1622 CA VAL A 111 5.234 8.141 -5.403 1.00 0.00 C ATOM 1623 C VAL A 111 5.566 7.208 -6.562 1.00 0.00 C ATOM 1624 O VAL A 111 5.634 5.990 -6.393 1.00 0.00 O ATOM 1625 CB VAL A 111 6.261 7.928 -4.275 1.00 0.00 C ATOM 1626 CG1 VAL A 111 7.635 7.628 -4.854 1.00 0.00 C ATOM 1627 CG2 VAL A 111 6.311 9.145 -3.364 1.00 0.00 C ATOM 0 H VAL A 111 3.665 6.964 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 111 5.291 9.174 -5.745 1.00 0.00 H new ATOM 0 HB VAL A 111 5.949 7.070 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.348 7.480 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.584 6.724 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.959 8.464 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.042 8.977 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.599 10.022 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.328 9.309 -2.922 1.00 0.00 H new ATOM 1637 N LYS A 112 5.773 7.786 -7.740 1.00 0.00 N ATOM 1638 CA LYS A 112 6.100 7.007 -8.928 1.00 0.00 C ATOM 1639 C LYS A 112 7.552 6.540 -8.890 1.00 0.00 C ATOM 1640 O LYS A 112 8.476 7.354 -8.905 1.00 0.00 O ATOM 1641 CB LYS A 112 5.853 7.836 -10.191 1.00 0.00 C ATOM 1642 CG LYS A 112 6.324 7.157 -11.465 1.00 0.00 C ATOM 1643 CD LYS A 112 6.541 8.162 -12.584 1.00 0.00 C ATOM 1644 CE LYS A 112 7.951 8.732 -12.556 1.00 0.00 C ATOM 1645 NZ LYS A 112 8.194 9.548 -11.335 1.00 0.00 N ATOM 0 H LYS A 112 5.720 8.792 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 112 5.454 6.129 -8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.787 8.047 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.361 8.795 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.253 6.621 -11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.588 6.416 -11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.361 7.682 -13.546 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.818 8.972 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.673 7.917 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.112 9.347 -13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.043 10.132 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.374 10.164 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.334 8.919 -10.519 1.00 0.00 H new ATOM 1659 N ILE A 113 7.745 5.226 -8.842 1.00 0.00 N ATOM 1660 CA ILE A 113 9.084 4.652 -8.804 1.00 0.00 C ATOM 1661 C ILE A 113 9.409 3.929 -10.106 1.00 0.00 C ATOM 1662 O ILE A 113 8.574 3.211 -10.656 1.00 0.00 O ATOM 1663 CB ILE A 113 9.242 3.668 -7.630 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.644 3.055 -7.634 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.182 2.579 -7.706 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.655 3.855 -6.842 1.00 0.00 C ATOM 0 H ILE A 113 6.991 4.539 -8.829 1.00 0.00 H new ATOM 0 HA ILE A 113 9.779 5.481 -8.668 1.00 0.00 H new ATOM 0 HB ILE A 113 9.108 4.215 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.592 2.045 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.990 2.965 -8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.306 1.891 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.191 3.032 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.288 2.033 -8.644 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.626 3.362 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.736 4.857 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.332 3.923 -5.803 1.00 0.00 H new ATOM 1678 N PHE A 114 10.630 4.122 -10.595 1.00 0.00 N ATOM 1679 CA PHE A 114 11.067 3.488 -11.834 1.00 0.00 C ATOM 1680 C PHE A 114 11.764 2.161 -11.548 1.00 0.00 C ATOM 1681 O PHE A 114 12.811 2.125 -10.900 1.00 0.00 O ATOM 1682 CB PHE A 114 12.008 4.417 -12.603 1.00 0.00 C ATOM 1683 CG PHE A 114 12.765 3.727 -13.701 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.923 3.018 -13.423 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.320 3.788 -15.012 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.622 2.382 -14.432 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.015 3.154 -16.024 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.168 2.451 -15.734 1.00 0.00 C ATOM 0 H PHE A 114 11.334 4.712 -10.152 1.00 0.00 H new ATOM 0 HA PHE A 114 10.185 3.291 -12.444 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.429 5.235 -13.031 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.719 4.860 -11.905 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.283 2.962 -12.406 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.420 4.337 -15.245 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.522 1.832 -14.202 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.657 3.208 -17.041 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.713 1.956 -16.524 1.00 0.00 H new ATOM 1698 N ILE A 115 11.177 1.074 -12.036 1.00 0.00 N ATOM 1699 CA ILE A 115 11.742 -0.255 -11.835 1.00 0.00 C ATOM 1700 C ILE A 115 12.753 -0.593 -12.925 1.00 0.00 C ATOM 1701 O ILE A 115 12.411 -0.745 -14.098 1.00 0.00 O ATOM 1702 CB ILE A 115 10.646 -1.336 -11.813 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.402 -0.817 -11.088 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.163 -2.602 -11.148 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.583 -0.692 -9.592 1.00 0.00 C ATOM 0 H ILE A 115 10.310 1.087 -12.574 1.00 0.00 H new ATOM 0 HA ILE A 115 12.245 -0.241 -10.868 1.00 0.00 H new ATOM 0 HB ILE A 115 10.372 -1.575 -12.841 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.134 0.157 -11.496 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.567 -1.488 -11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.376 -3.356 -11.140 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.022 -2.979 -11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.462 -2.379 -10.124 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.662 -0.319 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.821 -1.669 -9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.396 0.002 -9.381 1.00 0.00 H new ATOM 1717 N PRO A 116 14.029 -0.718 -12.530 1.00 0.00 N ATOM 1718 CA PRO A 116 15.117 -1.043 -13.458 1.00 0.00 C ATOM 1719 C PRO A 116 15.032 -2.477 -13.970 1.00 0.00 C ATOM 1720 O PRO A 116 14.401 -3.331 -13.350 1.00 0.00 O ATOM 1721 CB PRO A 116 16.376 -0.851 -12.610 1.00 0.00 C ATOM 1722 CG PRO A 116 15.923 -1.060 -11.206 1.00 0.00 C ATOM 1723 CD PRO A 116 14.509 -0.551 -11.148 1.00 0.00 C ATOM 0 HA PRO A 116 15.091 -0.420 -14.352 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.152 -1.565 -12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.797 0.145 -12.746 1.00 0.00 H new ATOM 0 HG2 PRO A 116 15.970 -2.114 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.561 -0.521 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.906 -1.121 -10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.470 0.492 -10.832 1.00 0.00 H new ATOM 1731 N ALA A 117 15.673 -2.733 -15.106 1.00 0.00 N ATOM 1732 CA ALA A 117 15.673 -4.064 -15.700 1.00 0.00 C ATOM 1733 C ALA A 117 16.585 -5.011 -14.926 1.00 0.00 C ATOM 1734 O ALA A 117 16.154 -6.072 -14.473 1.00 0.00 O ATOM 1735 CB ALA A 117 16.099 -3.992 -17.159 1.00 0.00 C ATOM 0 H ALA A 117 16.199 -2.036 -15.633 1.00 0.00 H new ATOM 0 HA ALA A 117 14.658 -4.457 -15.649 1.00 0.00 H new ATOM 0 HB1 ALA A 117 16.094 -4.993 -17.589 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.405 -3.357 -17.710 1.00 0.00 H new ATOM 0 HB3 ALA A 117 17.103 -3.574 -17.225 1.00 0.00 H new