USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 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 65 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= 0.459 K(o=0.46,f=-4.5!) USER MOD Set 2.1: A 76 SER OG : rot 88:sc= 1.01 USER MOD Set 2.2: A 80 CYS SG : rot -73:sc= 0.917 USER MOD Set 2.3: A 82 THR OG1 : rot -10:sc= 0.532 USER MOD Set 3.1: A 17 HIS : no HD1:sc= -0.419 K(o=-0.35,f=-6.7!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 20 LYS NZ :NH3+ -137:sc= 0.0716 (180deg=-0.49) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0929 X(o=-0.093,f=0.12) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00709 USER MOD Single : A 38 MET CE :methyl -171:sc= -0.145 (180deg=-0.356) USER MOD Single : A 41 THR OG1 : rot -62:sc= 1.46 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.988 K(o=0.99,f=-3!) USER MOD Single : A 59 TYR OH : rot 179:sc= 1.26 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.384 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00676 K(o=-0.0068,f=-1.1) USER MOD Single : A 73 SER OG : rot 39:sc= 0.0825 USER MOD Single : A 81 GLN : amide:sc= -1.05 K(o=-1.1,f=-10!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= 0.821 (180deg=0.145) USER MOD Single : A 91 CYS SG : rot -68:sc= -0.126 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.255 K(o=0.25,f=-0.65) USER MOD Single : A 102 GLN : amide:sc= 0.807 K(o=0.81,f=0) USER MOD Single : A 105 MET CE :methyl 173:sc= 0 (180deg=-0.0737) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 9 CYS SG : rot 91:sc= 0.786 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -3.998 -15.594 -6.839 1.00 0.00 N ATOM 203 CA HIS A 17 -3.586 -14.756 -7.972 1.00 0.00 C ATOM 204 C HIS A 17 -2.801 -13.483 -7.528 1.00 0.00 C ATOM 205 O HIS A 17 -3.116 -12.914 -6.477 1.00 0.00 O ATOM 206 CB HIS A 17 -4.856 -14.390 -8.762 1.00 0.00 C ATOM 207 CG HIS A 17 -4.571 -13.802 -10.104 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.344 -12.450 -10.340 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.383 -14.501 -11.255 1.00 0.00 C ATOM 210 CE1 HIS A 17 -4.002 -12.366 -11.636 1.00 0.00 C ATOM 211 NE2 HIS A 17 -4.027 -13.579 -12.216 1.00 0.00 N ATOM 0 HA HIS A 17 -2.891 -15.314 -8.599 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.467 -15.284 -8.888 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.445 -13.681 -8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.491 -15.567 -11.390 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.742 -11.449 -12.144 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.819 -13.781 -13.194 1.00 0.00 H new ATOM 219 N PRO A 18 -1.800 -13.002 -8.299 1.00 0.00 N ATOM 220 CA PRO A 18 -1.000 -11.828 -7.932 1.00 0.00 C ATOM 221 C PRO A 18 -1.766 -10.492 -7.881 1.00 0.00 C ATOM 222 O PRO A 18 -1.240 -9.548 -7.290 1.00 0.00 O ATOM 223 CB PRO A 18 0.156 -11.778 -8.940 1.00 0.00 C ATOM 224 CG PRO A 18 -0.381 -12.547 -10.144 1.00 0.00 C ATOM 225 CD PRO A 18 -1.227 -13.630 -9.482 1.00 0.00 C ATOM 0 HA PRO A 18 -0.660 -11.945 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.414 -10.752 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.058 -12.241 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.974 -11.912 -10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.422 -12.970 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.007 -13.986 -10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.619 -14.494 -9.213 1.00 0.00 H new ATOM 233 N THR A 19 -2.986 -10.392 -8.444 1.00 0.00 N ATOM 234 CA THR A 19 -3.832 -9.180 -8.380 1.00 0.00 C ATOM 235 C THR A 19 -5.234 -9.418 -7.831 1.00 0.00 C ATOM 236 O THR A 19 -5.858 -8.462 -7.372 1.00 0.00 O ATOM 237 CB THR A 19 -3.925 -8.476 -9.740 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.554 -9.309 -10.689 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.541 -8.107 -10.270 1.00 0.00 C ATOM 0 H THR A 19 -3.418 -11.157 -8.962 1.00 0.00 H new ATOM 0 HA THR A 19 -3.321 -8.533 -7.667 1.00 0.00 H new ATOM 0 HB THR A 19 -4.510 -7.569 -9.590 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.606 -8.843 -11.550 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.642 -7.610 -11.235 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.049 -7.436 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.944 -9.011 -10.388 1.00 0.00 H new ATOM 247 N LYS A 20 -5.724 -10.665 -7.825 1.00 0.00 N ATOM 248 CA LYS A 20 -7.032 -11.042 -7.262 1.00 0.00 C ATOM 249 C LYS A 20 -6.908 -11.992 -6.056 1.00 0.00 C ATOM 250 O LYS A 20 -6.072 -12.895 -6.024 1.00 0.00 O ATOM 251 CB LYS A 20 -7.932 -11.665 -8.352 1.00 0.00 C ATOM 252 CG LYS A 20 -8.797 -10.660 -9.120 1.00 0.00 C ATOM 253 CD LYS A 20 -8.056 -9.913 -10.237 1.00 0.00 C ATOM 254 CE LYS A 20 -8.062 -10.607 -11.608 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.104 -11.736 -11.687 1.00 0.00 N ATOM 0 H LYS A 20 -5.215 -11.456 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.495 -10.125 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.302 -12.199 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.584 -12.404 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.647 -11.187 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.199 -9.931 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.501 -8.924 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.021 -9.765 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.066 -10.974 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.820 -9.877 -12.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.603 -11.703 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.416 -11.663 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.620 -12.635 -11.609 1.00 0.00 H new ATOM 269 N PHE A 21 -7.795 -11.823 -5.079 1.00 0.00 N ATOM 270 CA PHE A 21 -7.810 -12.564 -3.822 1.00 0.00 C ATOM 271 C PHE A 21 -9.256 -12.897 -3.459 1.00 0.00 C ATOM 272 O PHE A 21 -10.086 -12.003 -3.308 1.00 0.00 O ATOM 273 CB PHE A 21 -7.139 -11.705 -2.736 1.00 0.00 C ATOM 274 CG PHE A 21 -5.689 -11.352 -3.015 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.665 -12.229 -2.614 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.356 -10.157 -3.683 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.316 -11.907 -2.844 1.00 0.00 C ATOM 278 CE2 PHE A 21 -4.009 -9.840 -3.933 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.988 -10.709 -3.506 1.00 0.00 C ATOM 0 H PHE A 21 -8.551 -11.141 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.258 -13.500 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.708 -10.783 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.193 -12.236 -1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.917 -13.158 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.137 -9.483 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.535 -12.576 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.758 -8.928 -4.454 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.953 -10.457 -3.686 1.00 0.00 H new ATOM 289 N LYS A 22 -9.584 -14.181 -3.321 1.00 0.00 N ATOM 290 CA LYS A 22 -10.926 -14.601 -2.894 1.00 0.00 C ATOM 291 C LYS A 22 -11.126 -14.301 -1.397 1.00 0.00 C ATOM 292 O LYS A 22 -10.235 -14.561 -0.583 1.00 0.00 O ATOM 293 CB LYS A 22 -11.135 -16.079 -3.272 1.00 0.00 C ATOM 294 CG LYS A 22 -11.413 -16.192 -4.781 1.00 0.00 C ATOM 295 CD LYS A 22 -11.369 -17.639 -5.291 1.00 0.00 C ATOM 296 CE LYS A 22 -11.691 -17.721 -6.794 1.00 0.00 C ATOM 297 NZ LYS A 22 -13.145 -17.568 -7.073 1.00 0.00 N ATOM 0 H LYS A 22 -8.941 -14.952 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.696 -14.031 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.251 -16.660 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.969 -16.495 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.393 -15.766 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.679 -15.598 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.381 -18.060 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.083 -18.244 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.139 -16.945 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.348 -18.679 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.310 -17.630 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.672 -18.323 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.470 -16.643 -6.726 1.00 0.00 H new ATOM 311 N VAL A 23 -12.274 -13.719 -1.041 1.00 0.00 N ATOM 312 CA VAL A 23 -12.565 -13.181 0.304 1.00 0.00 C ATOM 313 C VAL A 23 -14.023 -13.435 0.710 1.00 0.00 C ATOM 314 O VAL A 23 -14.869 -13.689 -0.148 1.00 0.00 O ATOM 315 CB VAL A 23 -12.256 -11.663 0.412 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.772 -11.323 0.208 1.00 0.00 C ATOM 317 CG2 VAL A 23 -13.101 -10.782 -0.526 1.00 0.00 C ATOM 0 H VAL A 23 -13.051 -13.603 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.906 -13.714 0.989 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.532 -11.430 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.630 -10.246 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.175 -11.832 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.457 -11.650 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.825 -9.736 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.919 -11.073 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.158 -10.912 -0.293 1.00 0.00 H new ATOM 327 N THR A 24 -14.329 -13.308 2.007 1.00 0.00 N ATOM 328 CA THR A 24 -15.695 -13.385 2.548 1.00 0.00 C ATOM 329 C THR A 24 -15.882 -12.318 3.610 1.00 0.00 C ATOM 330 O THR A 24 -15.194 -12.333 4.623 1.00 0.00 O ATOM 331 CB THR A 24 -15.963 -14.790 3.103 1.00 0.00 C ATOM 332 OG1 THR A 24 -16.005 -15.684 2.011 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.305 -14.893 3.828 1.00 0.00 C ATOM 0 H THR A 24 -13.622 -13.146 2.724 1.00 0.00 H new ATOM 0 HA THR A 24 -16.417 -13.202 1.753 1.00 0.00 H new ATOM 0 HB THR A 24 -15.172 -15.022 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.174 -16.592 2.338 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.441 -15.909 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.321 -14.195 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.112 -14.648 3.137 1.00 0.00 H new ATOM 341 N ASN A 25 -16.818 -11.396 3.390 1.00 0.00 N ATOM 342 CA ASN A 25 -17.177 -10.363 4.361 1.00 0.00 C ATOM 343 C ASN A 25 -17.791 -10.999 5.623 1.00 0.00 C ATOM 344 O ASN A 25 -18.710 -11.819 5.516 1.00 0.00 O ATOM 345 CB ASN A 25 -18.146 -9.366 3.704 1.00 0.00 C ATOM 346 CG ASN A 25 -18.514 -8.232 4.655 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.795 -7.258 4.820 1.00 0.00 O ATOM 348 ND2 ASN A 25 -19.644 -8.332 5.328 1.00 0.00 N ATOM 0 H ASN A 25 -17.354 -11.344 2.524 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.282 -9.825 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.690 -8.953 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.050 -9.888 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.914 -7.598 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.248 -9.143 5.194 1.00 0.00 H new ATOM 355 N VAL A 26 -17.309 -10.600 6.803 1.00 0.00 N ATOM 356 CA VAL A 26 -17.741 -11.137 8.105 1.00 0.00 C ATOM 357 C VAL A 26 -18.233 -10.053 9.067 1.00 0.00 C ATOM 358 O VAL A 26 -17.890 -8.878 8.929 1.00 0.00 O ATOM 359 CB VAL A 26 -16.650 -11.993 8.792 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.313 -13.247 7.976 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.349 -11.232 9.096 1.00 0.00 C ATOM 0 H VAL A 26 -16.592 -9.879 6.886 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.585 -11.785 7.870 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.093 -12.276 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.543 -13.821 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.208 -13.859 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.948 -12.953 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.638 -11.904 9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.922 -10.856 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.564 -10.395 9.761 1.00 0.00 H new ATOM 371 N ASP A 27 -19.047 -10.467 10.043 1.00 0.00 N ATOM 372 CA ASP A 27 -19.629 -9.597 11.073 1.00 0.00 C ATOM 373 C ASP A 27 -18.743 -9.416 12.333 1.00 0.00 C ATOM 374 O ASP A 27 -17.584 -9.832 12.376 1.00 0.00 O ATOM 375 CB ASP A 27 -21.026 -10.132 11.443 1.00 0.00 C ATOM 376 CG ASP A 27 -20.986 -11.192 12.546 1.00 0.00 C ATOM 377 OD1 ASP A 27 -20.088 -12.063 12.514 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.798 -11.088 13.491 1.00 0.00 O ATOM 0 H ASP A 27 -19.328 -11.443 10.142 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.703 -8.597 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.653 -9.302 11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.494 -10.557 10.555 1.00 0.00 H new ATOM 383 N ASP A 28 -19.323 -8.825 13.386 1.00 0.00 N ATOM 384 CA ASP A 28 -18.713 -8.621 14.708 1.00 0.00 C ATOM 385 C ASP A 28 -18.339 -9.933 15.439 1.00 0.00 C ATOM 386 O ASP A 28 -17.367 -9.950 16.197 1.00 0.00 O ATOM 387 CB ASP A 28 -19.696 -7.779 15.542 1.00 0.00 C ATOM 388 CG ASP A 28 -19.042 -7.058 16.728 1.00 0.00 C ATOM 389 OD1 ASP A 28 -18.881 -7.674 17.805 1.00 0.00 O ATOM 390 OD2 ASP A 28 -18.773 -5.837 16.618 1.00 0.00 O ATOM 0 H ASP A 28 -20.274 -8.459 13.338 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.762 -8.106 14.574 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -20.167 -7.040 14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.489 -8.427 15.915 1.00 0.00 H new ATOM 395 N GLU A 29 -19.051 -11.043 15.183 1.00 0.00 N ATOM 396 CA GLU A 29 -18.726 -12.379 15.716 1.00 0.00 C ATOM 397 C GLU A 29 -17.731 -13.158 14.833 1.00 0.00 C ATOM 398 O GLU A 29 -17.200 -14.188 15.258 1.00 0.00 O ATOM 399 CB GLU A 29 -19.987 -13.247 15.895 1.00 0.00 C ATOM 400 CG GLU A 29 -21.130 -12.566 16.652 1.00 0.00 C ATOM 401 CD GLU A 29 -22.082 -13.608 17.260 1.00 0.00 C ATOM 402 OE1 GLU A 29 -23.035 -14.049 16.574 1.00 0.00 O ATOM 403 OE2 GLU A 29 -21.887 -13.994 18.438 1.00 0.00 O ATOM 0 H GLU A 29 -19.882 -11.039 14.591 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.261 -12.187 16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.348 -13.546 14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -19.712 -14.159 16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -20.723 -11.935 17.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.682 -11.914 15.975 1.00 0.00 H new ATOM 410 N GLY A 30 -17.492 -12.698 13.598 1.00 0.00 N ATOM 411 CA GLY A 30 -16.715 -13.403 12.577 1.00 0.00 C ATOM 412 C GLY A 30 -17.521 -14.425 11.766 1.00 0.00 C ATOM 413 O GLY A 30 -16.902 -15.259 11.103 1.00 0.00 O ATOM 0 H GLY A 30 -17.846 -11.798 13.275 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.286 -12.671 11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.882 -13.915 13.059 1.00 0.00 H new ATOM 417 N VAL A 31 -18.859 -14.390 11.788 1.00 0.00 N ATOM 418 CA VAL A 31 -19.686 -15.249 10.918 1.00 0.00 C ATOM 419 C VAL A 31 -19.718 -14.718 9.490 1.00 0.00 C ATOM 420 O VAL A 31 -19.609 -13.517 9.249 1.00 0.00 O ATOM 421 CB VAL A 31 -21.134 -15.508 11.389 1.00 0.00 C ATOM 422 CG1 VAL A 31 -21.137 -16.388 12.643 1.00 0.00 C ATOM 423 CG2 VAL A 31 -22.009 -14.267 11.581 1.00 0.00 C ATOM 0 H VAL A 31 -19.397 -13.776 12.399 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.182 -16.214 10.972 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.607 -16.033 10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -22.164 -16.562 12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.660 -17.342 12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.588 -15.887 13.440 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -23.002 -14.570 11.912 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.559 -13.617 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -22.090 -13.729 10.636 1.00 0.00 H new ATOM 433 N GLU A 32 -19.872 -15.648 8.552 1.00 0.00 N ATOM 434 CA GLU A 32 -19.753 -15.402 7.117 1.00 0.00 C ATOM 435 C GLU A 32 -21.088 -14.954 6.517 1.00 0.00 C ATOM 436 O GLU A 32 -22.105 -15.642 6.653 1.00 0.00 O ATOM 437 CB GLU A 32 -19.250 -16.679 6.419 1.00 0.00 C ATOM 438 CG GLU A 32 -17.826 -17.072 6.839 1.00 0.00 C ATOM 439 CD GLU A 32 -17.405 -18.397 6.184 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.828 -19.473 6.670 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.642 -18.375 5.191 1.00 0.00 O ATOM 0 H GLU A 32 -20.089 -16.620 8.774 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.036 -14.596 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.929 -17.501 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.276 -16.531 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.129 -16.284 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.776 -17.166 7.924 1.00 0.00 H new ATOM 448 N LEU A 33 -21.078 -13.796 5.844 1.00 0.00 N ATOM 449 CA LEU A 33 -22.288 -13.139 5.333 1.00 0.00 C ATOM 450 C LEU A 33 -22.389 -13.227 3.806 1.00 0.00 C ATOM 451 O LEU A 33 -23.412 -13.661 3.274 1.00 0.00 O ATOM 452 CB LEU A 33 -22.296 -11.666 5.785 1.00 0.00 C ATOM 453 CG LEU A 33 -22.066 -11.418 7.289 1.00 0.00 C ATOM 454 CD1 LEU A 33 -22.181 -9.912 7.526 1.00 0.00 C ATOM 455 CD2 LEU A 33 -23.055 -12.183 8.176 1.00 0.00 C ATOM 0 H LEU A 33 -20.221 -13.284 5.637 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.155 -13.659 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.527 -11.132 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.254 -11.227 5.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -21.078 -11.787 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -22.024 -9.697 8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.428 -9.392 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -23.174 -9.572 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.844 -11.969 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -24.072 -11.871 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.952 -13.253 7.996 1.00 0.00 H new ATOM 467 N GLY A 34 -21.322 -12.814 3.113 1.00 0.00 N ATOM 468 CA GLY A 34 -21.223 -12.836 1.643 1.00 0.00 C ATOM 469 C GLY A 34 -19.801 -13.007 1.110 1.00 0.00 C ATOM 470 O GLY A 34 -18.872 -12.351 1.576 1.00 0.00 O ATOM 0 H GLY A 34 -20.484 -12.447 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.842 -13.648 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.637 -11.908 1.249 1.00 0.00 H new ATOM 474 N SER A 35 -19.638 -13.857 0.098 1.00 0.00 N ATOM 475 CA SER A 35 -18.371 -14.092 -0.612 1.00 0.00 C ATOM 476 C SER A 35 -18.143 -13.079 -1.753 1.00 0.00 C ATOM 477 O SER A 35 -19.069 -12.736 -2.496 1.00 0.00 O ATOM 478 CB SER A 35 -18.341 -15.536 -1.144 1.00 0.00 C ATOM 479 OG SER A 35 -19.511 -15.875 -1.886 1.00 0.00 O ATOM 0 H SER A 35 -20.405 -14.422 -0.266 1.00 0.00 H new ATOM 0 HA SER A 35 -17.555 -13.949 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.464 -15.667 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.235 -16.225 -0.306 1.00 0.00 H new ATOM 0 HG SER A 35 -19.441 -16.800 -2.202 1.00 0.00 H new ATOM 485 N GLY A 36 -16.899 -12.609 -1.901 1.00 0.00 N ATOM 486 CA GLY A 36 -16.447 -11.648 -2.912 1.00 0.00 C ATOM 487 C GLY A 36 -15.055 -11.967 -3.459 1.00 0.00 C ATOM 488 O GLY A 36 -14.333 -12.803 -2.906 1.00 0.00 O ATOM 0 H GLY A 36 -16.141 -12.905 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.161 -11.633 -3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.440 -10.648 -2.478 1.00 0.00 H new ATOM 492 N VAL A 37 -14.650 -11.261 -4.517 1.00 0.00 N ATOM 493 CA VAL A 37 -13.261 -11.286 -5.014 1.00 0.00 C ATOM 494 C VAL A 37 -12.678 -9.884 -4.872 1.00 0.00 C ATOM 495 O VAL A 37 -13.200 -8.932 -5.447 1.00 0.00 O ATOM 496 CB VAL A 37 -13.154 -11.793 -6.471 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.684 -11.850 -6.919 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.772 -13.191 -6.625 1.00 0.00 C ATOM 0 H VAL A 37 -15.269 -10.656 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.689 -11.996 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.704 -11.090 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.631 -12.209 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.247 -10.853 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.131 -12.528 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.680 -13.517 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.250 -13.893 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.826 -13.156 -6.348 1.00 0.00 H new ATOM 508 N MET A 38 -11.598 -9.767 -4.103 1.00 0.00 N ATOM 509 CA MET A 38 -10.879 -8.523 -3.852 1.00 0.00 C ATOM 510 C MET A 38 -9.744 -8.368 -4.865 1.00 0.00 C ATOM 511 O MET A 38 -8.832 -9.189 -4.933 1.00 0.00 O ATOM 512 CB MET A 38 -10.376 -8.512 -2.400 1.00 0.00 C ATOM 513 CG MET A 38 -9.818 -7.140 -2.006 1.00 0.00 C ATOM 514 SD MET A 38 -9.324 -6.990 -0.269 1.00 0.00 S ATOM 515 CE MET A 38 -10.954 -6.896 0.524 1.00 0.00 C ATOM 0 H MET A 38 -11.186 -10.566 -3.621 1.00 0.00 H new ATOM 0 HA MET A 38 -11.542 -7.667 -3.979 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.193 -8.779 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.602 -9.269 -2.277 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.955 -6.920 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.571 -6.382 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 38 -10.832 -6.641 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.554 -6.130 0.032 1.00 0.00 H new ATOM 0 HE3 MET A 38 -11.456 -7.860 0.440 1.00 0.00 H new ATOM 525 N GLU A 39 -9.816 -7.307 -5.657 1.00 0.00 N ATOM 526 CA GLU A 39 -8.832 -6.919 -6.654 1.00 0.00 C ATOM 527 C GLU A 39 -8.103 -5.661 -6.171 1.00 0.00 C ATOM 528 O GLU A 39 -8.733 -4.669 -5.784 1.00 0.00 O ATOM 529 CB GLU A 39 -9.546 -6.694 -7.995 1.00 0.00 C ATOM 530 CG GLU A 39 -8.593 -6.261 -9.117 1.00 0.00 C ATOM 531 CD GLU A 39 -9.297 -6.159 -10.481 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.525 -5.909 -10.529 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.618 -6.329 -11.521 1.00 0.00 O ATOM 0 H GLU A 39 -10.604 -6.661 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.088 -7.702 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.051 -7.614 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.317 -5.934 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.155 -5.295 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.772 -6.975 -9.188 1.00 0.00 H new ATOM 540 N LEU A 40 -6.770 -5.721 -6.222 1.00 0.00 N ATOM 541 CA LEU A 40 -5.855 -4.621 -5.935 1.00 0.00 C ATOM 542 C LEU A 40 -5.275 -4.155 -7.273 1.00 0.00 C ATOM 543 O LEU A 40 -4.662 -4.947 -8.000 1.00 0.00 O ATOM 544 CB LEU A 40 -4.719 -5.083 -4.994 1.00 0.00 C ATOM 545 CG LEU A 40 -5.050 -5.157 -3.490 1.00 0.00 C ATOM 546 CD1 LEU A 40 -6.040 -6.274 -3.145 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.753 -5.404 -2.702 1.00 0.00 C ATOM 0 H LEU A 40 -6.280 -6.579 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.383 -3.809 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.389 -6.070 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.874 -4.406 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.514 -4.208 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.231 -6.272 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.975 -6.109 -3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.619 -7.236 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.979 -5.458 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.304 -6.343 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.055 -4.587 -2.884 1.00 0.00 H new ATOM 559 N THR A 41 -5.469 -2.875 -7.593 1.00 0.00 N ATOM 560 CA THR A 41 -4.959 -2.233 -8.818 1.00 0.00 C ATOM 561 C THR A 41 -3.932 -1.171 -8.453 1.00 0.00 C ATOM 562 O THR A 41 -3.768 -0.845 -7.281 1.00 0.00 O ATOM 563 CB THR A 41 -6.104 -1.647 -9.657 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.643 -0.532 -8.989 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.221 -2.661 -9.917 1.00 0.00 C ATOM 0 H THR A 41 -5.996 -2.236 -6.998 1.00 0.00 H new ATOM 0 HA THR A 41 -4.470 -2.988 -9.433 1.00 0.00 H new ATOM 0 HB THR A 41 -5.687 -1.362 -10.623 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.016 -0.815 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.004 -2.194 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.816 -3.518 -10.455 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.639 -2.994 -8.967 1.00 0.00 H new ATOM 573 N GLN A 42 -3.266 -0.574 -9.439 1.00 0.00 N ATOM 574 CA GLN A 42 -2.367 0.564 -9.190 1.00 0.00 C ATOM 575 C GLN A 42 -3.124 1.854 -8.794 1.00 0.00 C ATOM 576 O GLN A 42 -2.482 2.852 -8.472 1.00 0.00 O ATOM 577 CB GLN A 42 -1.448 0.771 -10.407 1.00 0.00 C ATOM 578 CG GLN A 42 -0.342 -0.296 -10.425 1.00 0.00 C ATOM 579 CD GLN A 42 0.460 -0.302 -11.727 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.920 0.715 -12.232 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.654 -1.461 -12.322 1.00 0.00 N ATOM 0 H GLN A 42 -3.328 -0.854 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.749 0.325 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.032 0.716 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.003 1.766 -10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.335 -0.124 -9.588 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.790 -1.278 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.276 -2.315 -11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.182 -1.505 -13.193 1.00 0.00 H new ATOM 590 N SER A 43 -4.465 1.846 -8.782 1.00 0.00 N ATOM 591 CA SER A 43 -5.299 3.032 -8.534 1.00 0.00 C ATOM 592 C SER A 43 -6.229 2.901 -7.306 1.00 0.00 C ATOM 593 O SER A 43 -6.440 3.883 -6.587 1.00 0.00 O ATOM 594 CB SER A 43 -6.122 3.307 -9.804 1.00 0.00 C ATOM 595 OG SER A 43 -6.737 4.588 -9.798 1.00 0.00 O ATOM 0 H SER A 43 -5.010 1.000 -8.947 1.00 0.00 H new ATOM 0 HA SER A 43 -4.634 3.863 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.473 3.225 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.891 2.541 -9.906 1.00 0.00 H new ATOM 0 HG SER A 43 -7.245 4.711 -10.627 1.00 0.00 H new ATOM 601 N GLU A 44 -6.769 1.703 -7.021 1.00 0.00 N ATOM 602 CA GLU A 44 -7.827 1.491 -6.019 1.00 0.00 C ATOM 603 C GLU A 44 -8.047 0.003 -5.667 1.00 0.00 C ATOM 604 O GLU A 44 -7.652 -0.905 -6.408 1.00 0.00 O ATOM 605 CB GLU A 44 -9.153 2.123 -6.516 1.00 0.00 C ATOM 606 CG GLU A 44 -9.704 1.495 -7.799 1.00 0.00 C ATOM 607 CD GLU A 44 -10.969 2.212 -8.266 1.00 0.00 C ATOM 608 OE1 GLU A 44 -12.031 2.060 -7.626 1.00 0.00 O ATOM 609 OE2 GLU A 44 -10.935 2.925 -9.294 1.00 0.00 O ATOM 0 H GLU A 44 -6.478 0.843 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.496 1.979 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.903 2.033 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.994 3.188 -6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.948 1.539 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.923 0.441 -7.626 1.00 0.00 H new ATOM 616 N LEU A 45 -8.737 -0.230 -4.543 1.00 0.00 N ATOM 617 CA LEU A 45 -9.279 -1.527 -4.135 1.00 0.00 C ATOM 618 C LEU A 45 -10.675 -1.712 -4.740 1.00 0.00 C ATOM 619 O LEU A 45 -11.495 -0.794 -4.670 1.00 0.00 O ATOM 620 CB LEU A 45 -9.380 -1.573 -2.592 1.00 0.00 C ATOM 621 CG LEU A 45 -8.230 -2.315 -1.897 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.361 -2.155 -0.378 1.00 0.00 C ATOM 623 CD2 LEU A 45 -8.256 -3.812 -2.224 1.00 0.00 C ATOM 0 H LEU A 45 -8.939 0.509 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.623 -2.324 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.417 -0.552 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.321 -2.050 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.293 -1.887 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.544 -2.682 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.319 -1.097 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.313 -2.572 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.429 -4.310 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.199 -4.242 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.158 -3.951 -3.301 1.00 0.00 H new ATOM 635 N VAL A 46 -10.962 -2.904 -5.271 1.00 0.00 N ATOM 636 CA VAL A 46 -12.268 -3.243 -5.866 1.00 0.00 C ATOM 637 C VAL A 46 -12.745 -4.622 -5.388 1.00 0.00 C ATOM 638 O VAL A 46 -12.026 -5.605 -5.532 1.00 0.00 O ATOM 639 CB VAL A 46 -12.211 -3.212 -7.416 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.614 -3.419 -8.015 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.617 -1.900 -7.966 1.00 0.00 C ATOM 0 H VAL A 46 -10.291 -3.672 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.981 -2.488 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.552 -4.028 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.552 -3.394 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.007 -4.384 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.277 -2.626 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.602 -1.936 -9.055 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.228 -1.059 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.600 -1.777 -7.593 1.00 0.00 H new ATOM 651 N LEU A 47 -13.962 -4.704 -4.842 1.00 0.00 N ATOM 652 CA LEU A 47 -14.663 -5.956 -4.540 1.00 0.00 C ATOM 653 C LEU A 47 -15.702 -6.254 -5.617 1.00 0.00 C ATOM 654 O LEU A 47 -16.573 -5.431 -5.917 1.00 0.00 O ATOM 655 CB LEU A 47 -15.402 -5.886 -3.198 1.00 0.00 C ATOM 656 CG LEU A 47 -14.540 -5.968 -1.938 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.432 -5.640 -0.735 1.00 0.00 C ATOM 658 CD2 LEU A 47 -13.932 -7.354 -1.705 1.00 0.00 C ATOM 0 H LEU A 47 -14.503 -3.877 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.904 -6.737 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.964 -4.952 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.130 -6.697 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.716 -5.266 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.842 -5.691 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -15.840 -4.636 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.249 -6.360 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.333 -7.340 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.730 -8.089 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.299 -7.621 -2.552 1.00 0.00 H new ATOM 670 N HIS A 48 -15.638 -7.486 -6.109 1.00 0.00 N ATOM 671 CA HIS A 48 -16.575 -8.081 -7.060 1.00 0.00 C ATOM 672 C HIS A 48 -17.570 -9.022 -6.352 1.00 0.00 C ATOM 673 O HIS A 48 -17.151 -9.966 -5.672 1.00 0.00 O ATOM 674 CB HIS A 48 -15.764 -8.798 -8.148 1.00 0.00 C ATOM 675 CG HIS A 48 -14.868 -7.872 -8.932 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.305 -6.966 -9.903 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.513 -7.774 -8.809 1.00 0.00 C ATOM 678 CE1 HIS A 48 -14.194 -6.345 -10.339 1.00 0.00 C ATOM 679 NE2 HIS A 48 -13.105 -6.810 -9.703 1.00 0.00 N ATOM 0 H HIS A 48 -14.894 -8.131 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.182 -7.304 -7.525 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.156 -9.575 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.450 -9.296 -8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.883 -8.342 -8.140 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.179 -5.577 -11.098 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.145 -6.502 -9.856 1.00 0.00 H new ATOM 687 N LEU A 49 -18.871 -8.734 -6.502 1.00 0.00 N ATOM 688 CA LEU A 49 -20.020 -9.412 -5.881 1.00 0.00 C ATOM 689 C LEU A 49 -21.025 -9.879 -6.957 1.00 0.00 C ATOM 690 O LEU A 49 -20.976 -9.439 -8.106 1.00 0.00 O ATOM 691 CB LEU A 49 -20.730 -8.438 -4.907 1.00 0.00 C ATOM 692 CG LEU A 49 -20.059 -8.082 -3.562 1.00 0.00 C ATOM 693 CD1 LEU A 49 -19.786 -9.328 -2.707 1.00 0.00 C ATOM 694 CD2 LEU A 49 -18.787 -7.238 -3.690 1.00 0.00 C ATOM 0 H LEU A 49 -19.170 -7.966 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.656 -10.284 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.899 -7.505 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.710 -8.858 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 49 -20.792 -7.455 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -19.314 -9.030 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -20.726 -9.836 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -19.124 -10.003 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -18.383 -7.035 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -18.048 -7.781 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -19.024 -6.296 -4.185 1.00 0.00 H new ATOM 786 N ALA A 54 -20.554 -3.567 -7.492 1.00 0.00 N ATOM 787 CA ALA A 54 -19.109 -3.626 -7.258 1.00 0.00 C ATOM 788 C ALA A 54 -18.705 -2.526 -6.262 1.00 0.00 C ATOM 789 O ALA A 54 -19.104 -1.370 -6.429 1.00 0.00 O ATOM 790 CB ALA A 54 -18.368 -3.459 -8.587 1.00 0.00 C ATOM 0 HA ALA A 54 -18.841 -4.593 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.293 -3.503 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.658 -4.259 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.625 -2.496 -9.028 1.00 0.00 H new ATOM 796 N VAL A 55 -17.918 -2.874 -5.244 1.00 0.00 N ATOM 797 CA VAL A 55 -17.642 -1.978 -4.103 1.00 0.00 C ATOM 798 C VAL A 55 -16.203 -1.478 -4.180 1.00 0.00 C ATOM 799 O VAL A 55 -15.278 -2.276 -4.305 1.00 0.00 O ATOM 800 CB VAL A 55 -17.944 -2.631 -2.737 1.00 0.00 C ATOM 801 CG1 VAL A 55 -17.983 -1.583 -1.625 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.306 -3.337 -2.730 1.00 0.00 C ATOM 0 H VAL A 55 -17.452 -3.779 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.321 -1.128 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.145 -3.353 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.198 -2.070 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.018 -1.080 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.761 -0.851 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.480 -3.783 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.092 -2.613 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.315 -4.117 -3.491 1.00 0.00 H new ATOM 812 N ARG A 56 -16.025 -0.156 -4.132 1.00 0.00 N ATOM 813 CA ARG A 56 -14.767 0.526 -4.477 1.00 0.00 C ATOM 814 C ARG A 56 -14.254 1.488 -3.403 1.00 0.00 C ATOM 815 O ARG A 56 -15.016 2.276 -2.839 1.00 0.00 O ATOM 816 CB ARG A 56 -14.988 1.314 -5.776 1.00 0.00 C ATOM 817 CG ARG A 56 -15.306 0.389 -6.960 1.00 0.00 C ATOM 818 CD ARG A 56 -15.710 1.181 -8.203 1.00 0.00 C ATOM 819 NE ARG A 56 -14.556 1.827 -8.859 1.00 0.00 N ATOM 820 CZ ARG A 56 -14.554 2.379 -10.066 1.00 0.00 C ATOM 821 NH1 ARG A 56 -15.626 2.400 -10.833 1.00 0.00 N ATOM 822 NH2 ARG A 56 -13.453 2.927 -10.528 1.00 0.00 N ATOM 0 H ARG A 56 -16.764 0.487 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.008 -0.250 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.806 2.020 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.097 1.899 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.434 -0.225 -7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.112 -0.291 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.201 0.514 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.439 1.942 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.680 1.851 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.497 1.982 -10.504 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.585 2.834 -11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.606 2.927 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.445 3.353 -11.455 1.00 0.00 H new ATOM 836 N TRP A 57 -12.928 1.507 -3.220 1.00 0.00 N ATOM 837 CA TRP A 57 -12.217 2.436 -2.333 1.00 0.00 C ATOM 838 C TRP A 57 -10.891 2.903 -2.964 1.00 0.00 C ATOM 839 O TRP A 57 -9.999 2.066 -3.152 1.00 0.00 O ATOM 840 CB TRP A 57 -11.947 1.762 -0.979 1.00 0.00 C ATOM 841 CG TRP A 57 -13.163 1.346 -0.217 1.00 0.00 C ATOM 842 CD1 TRP A 57 -13.920 2.134 0.579 1.00 0.00 C ATOM 843 CD2 TRP A 57 -13.792 0.034 -0.193 1.00 0.00 C ATOM 844 NE1 TRP A 57 -14.955 1.391 1.113 1.00 0.00 N ATOM 845 CE2 TRP A 57 -14.905 0.077 0.700 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.529 -1.193 -0.841 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.671 -1.058 0.994 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.309 -2.329 -0.574 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.360 -2.271 0.358 1.00 0.00 C ATOM 0 H TRP A 57 -12.303 0.858 -3.698 1.00 0.00 H new ATOM 0 HA TRP A 57 -12.847 3.313 -2.182 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.326 0.882 -1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.368 2.447 -0.360 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.743 3.182 0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.669 1.769 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.718 -1.258 -1.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.488 -1.001 1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.100 -3.255 -1.089 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.929 -3.160 0.585 1.00 0.00 H new ATOM 860 N PRO A 58 -10.718 4.207 -3.268 1.00 0.00 N ATOM 861 CA PRO A 58 -9.418 4.747 -3.645 1.00 0.00 C ATOM 862 C PRO A 58 -8.493 4.701 -2.431 1.00 0.00 C ATOM 863 O PRO A 58 -8.928 4.915 -1.298 1.00 0.00 O ATOM 864 CB PRO A 58 -9.664 6.189 -4.091 1.00 0.00 C ATOM 865 CG PRO A 58 -10.920 6.585 -3.325 1.00 0.00 C ATOM 866 CD PRO A 58 -11.703 5.279 -3.187 1.00 0.00 C ATOM 0 HA PRO A 58 -8.948 4.177 -4.446 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.822 6.835 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.812 6.257 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.675 7.008 -2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.494 7.339 -3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.240 5.245 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.447 5.185 -3.978 1.00 0.00 H new ATOM 874 N TYR A 59 -7.206 4.449 -2.669 1.00 0.00 N ATOM 875 CA TYR A 59 -6.204 4.350 -1.602 1.00 0.00 C ATOM 876 C TYR A 59 -6.106 5.623 -0.743 1.00 0.00 C ATOM 877 O TYR A 59 -5.864 5.540 0.461 1.00 0.00 O ATOM 878 CB TYR A 59 -4.852 4.004 -2.232 1.00 0.00 C ATOM 879 CG TYR A 59 -4.782 2.640 -2.902 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.155 1.481 -2.192 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.315 2.521 -4.224 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.085 0.216 -2.802 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.230 1.257 -4.836 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.623 0.097 -4.128 1.00 0.00 C ATOM 885 OH TYR A 59 -4.558 -1.133 -4.707 1.00 0.00 O ATOM 0 H TYR A 59 -6.827 4.307 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.515 3.561 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.607 4.767 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.086 4.051 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.497 1.565 -1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.020 3.404 -4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.385 -0.665 -2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.864 1.172 -5.849 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.236 -1.044 -5.628 1.00 0.00 H new ATOM 895 N LEU A 60 -6.392 6.784 -1.343 1.00 0.00 N ATOM 896 CA LEU A 60 -6.456 8.092 -0.698 1.00 0.00 C ATOM 897 C LEU A 60 -7.463 8.120 0.467 1.00 0.00 C ATOM 898 O LEU A 60 -7.176 8.662 1.533 1.00 0.00 O ATOM 899 CB LEU A 60 -6.806 9.121 -1.795 1.00 0.00 C ATOM 900 CG LEU A 60 -5.964 10.401 -1.688 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.230 11.284 -2.908 1.00 0.00 C ATOM 902 CD2 LEU A 60 -6.232 11.187 -0.401 1.00 0.00 C ATOM 0 H LEU A 60 -6.595 6.835 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.495 8.335 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.652 8.669 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.863 9.378 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.917 10.101 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.634 12.194 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.958 10.743 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.288 11.545 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.608 12.080 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.282 11.477 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.997 10.563 0.462 1.00 0.00 H new ATOM 914 N CYS A 61 -8.624 7.489 0.277 1.00 0.00 N ATOM 915 CA CYS A 61 -9.718 7.443 1.263 1.00 0.00 C ATOM 916 C CYS A 61 -9.615 6.306 2.304 1.00 0.00 C ATOM 917 O CYS A 61 -10.528 6.157 3.121 1.00 0.00 O ATOM 918 CB CYS A 61 -11.065 7.430 0.519 1.00 0.00 C ATOM 919 SG CYS A 61 -11.245 8.954 -0.459 1.00 0.00 S ATOM 0 H CYS A 61 -8.839 6.984 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.634 8.345 1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.121 6.559 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.884 7.347 1.233 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.383 8.935 -1.086 1.00 0.00 H new ATOM 925 N LEU A 62 -8.533 5.518 2.312 1.00 0.00 N ATOM 926 CA LEU A 62 -8.263 4.528 3.364 1.00 0.00 C ATOM 927 C LEU A 62 -7.547 5.210 4.537 1.00 0.00 C ATOM 928 O LEU A 62 -6.431 5.710 4.375 1.00 0.00 O ATOM 929 CB LEU A 62 -7.414 3.365 2.816 1.00 0.00 C ATOM 930 CG LEU A 62 -8.052 2.554 1.672 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.066 1.462 1.235 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.387 1.908 2.072 1.00 0.00 C ATOM 0 H LEU A 62 -7.817 5.549 1.586 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.210 4.116 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.463 3.767 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.189 2.685 3.638 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.265 3.243 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.504 0.879 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.141 1.924 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.852 0.806 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.789 1.350 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.226 1.230 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.094 2.685 2.363 1.00 0.00 H new ATOM 944 N ARG A 63 -8.161 5.211 5.727 1.00 0.00 N ATOM 945 CA ARG A 63 -7.556 5.783 6.942 1.00 0.00 C ATOM 946 C ARG A 63 -6.457 4.866 7.521 1.00 0.00 C ATOM 947 O ARG A 63 -5.458 5.361 8.044 1.00 0.00 O ATOM 948 CB ARG A 63 -8.677 6.022 7.965 1.00 0.00 C ATOM 949 CG ARG A 63 -8.287 6.823 9.216 1.00 0.00 C ATOM 950 CD ARG A 63 -8.114 8.326 8.970 1.00 0.00 C ATOM 951 NE ARG A 63 -9.405 9.014 8.777 1.00 0.00 N ATOM 952 CZ ARG A 63 -9.597 10.329 8.780 1.00 0.00 C ATOM 953 NH1 ARG A 63 -8.608 11.188 8.920 1.00 0.00 N ATOM 954 NH2 ARG A 63 -10.815 10.808 8.644 1.00 0.00 N ATOM 0 H ARG A 63 -9.090 4.817 5.877 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.067 6.726 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.494 6.542 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.064 5.054 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.050 6.677 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.355 6.422 9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.590 8.772 9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.489 8.478 8.090 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.225 8.426 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.652 10.851 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.799 12.190 8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.605 10.171 8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.970 11.816 8.645 1.00 0.00 H new ATOM 968 N ARG A 64 -6.644 3.541 7.409 1.00 0.00 N ATOM 969 CA ARG A 64 -5.738 2.474 7.874 1.00 0.00 C ATOM 970 C ARG A 64 -6.121 1.113 7.264 1.00 0.00 C ATOM 971 O ARG A 64 -7.271 0.925 6.861 1.00 0.00 O ATOM 972 CB ARG A 64 -5.687 2.431 9.418 1.00 0.00 C ATOM 973 CG ARG A 64 -6.933 1.821 10.088 1.00 0.00 C ATOM 974 CD ARG A 64 -6.798 1.690 11.609 1.00 0.00 C ATOM 975 NE ARG A 64 -6.760 2.997 12.290 1.00 0.00 N ATOM 976 CZ ARG A 64 -6.416 3.209 13.556 1.00 0.00 C ATOM 977 NH1 ARG A 64 -6.065 2.227 14.360 1.00 0.00 N ATOM 978 NH2 ARG A 64 -6.414 4.434 14.036 1.00 0.00 N ATOM 0 H ARG A 64 -7.481 3.162 6.965 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.731 2.702 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.811 1.859 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.551 3.446 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.800 2.440 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.122 0.836 9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.634 1.107 11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.889 1.136 11.843 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.022 3.814 11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.051 1.267 14.016 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.807 2.427 15.326 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.676 5.217 13.437 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.151 4.601 15.007 1.00 0.00 H new ATOM 992 N TYR A 65 -5.177 0.166 7.223 1.00 0.00 N ATOM 993 CA TYR A 65 -5.322 -1.153 6.577 1.00 0.00 C ATOM 994 C TYR A 65 -4.554 -2.259 7.337 1.00 0.00 C ATOM 995 O TYR A 65 -3.324 -2.303 7.333 1.00 0.00 O ATOM 996 CB TYR A 65 -4.894 -1.049 5.098 1.00 0.00 C ATOM 997 CG TYR A 65 -3.499 -0.484 4.831 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.290 0.911 4.823 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.407 -1.345 4.592 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.001 1.439 4.615 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.117 -0.823 4.378 1.00 0.00 C ATOM 1002 CZ TYR A 65 -0.907 0.574 4.401 1.00 0.00 C ATOM 1003 OH TYR A 65 0.342 1.096 4.232 1.00 0.00 O ATOM 0 H TYR A 65 -4.260 0.296 7.651 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.371 -1.448 6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.950 -2.044 4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.620 -0.426 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.124 1.579 4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.562 -2.414 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.850 2.508 4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.288 -1.491 4.196 1.00 0.00 H new ATOM 0 HH TYR A 65 1.010 0.386 4.336 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.290 -3.144 8.018 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.779 -4.131 8.978 1.00 0.00 C ATOM 1015 C GLY A 66 -5.018 -5.586 8.568 1.00 0.00 C ATOM 1016 O GLY A 66 -5.880 -5.888 7.742 1.00 0.00 O ATOM 0 H GLY A 66 -6.303 -3.195 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.708 -3.973 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.248 -3.956 9.946 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.259 -6.490 9.191 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.161 -7.907 8.824 1.00 0.00 C ATOM 1022 C TYR A 67 -3.910 -8.832 10.037 1.00 0.00 C ATOM 1023 O TYR A 67 -3.290 -8.445 11.030 1.00 0.00 O ATOM 1024 CB TYR A 67 -3.039 -8.072 7.778 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.644 -8.203 8.372 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -1.024 -7.102 8.998 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.002 -9.458 8.372 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.226 -7.252 9.628 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.253 -9.612 8.990 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.871 -8.509 9.622 1.00 0.00 C ATOM 1031 OH TYR A 67 2.079 -8.663 10.236 1.00 0.00 O ATOM 0 H TYR A 67 -3.675 -6.249 9.992 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.121 -8.211 8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.248 -8.955 7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.056 -7.214 7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.511 -6.138 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.475 -10.304 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.691 -6.408 10.115 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.744 -10.574 8.981 1.00 0.00 H new ATOM 0 HH TYR A 67 2.380 -9.590 10.138 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.347 -10.085 9.930 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.143 -11.165 10.904 1.00 0.00 C ATOM 1043 C ASP A 68 -3.994 -12.513 10.167 1.00 0.00 C ATOM 1044 O ASP A 68 -4.051 -12.566 8.939 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.327 -11.169 11.898 1.00 0.00 C ATOM 1046 CG ASP A 68 -5.080 -11.916 13.223 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -3.956 -12.418 13.457 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -6.033 -12.002 14.032 1.00 0.00 O ATOM 0 H ASP A 68 -4.882 -10.395 9.119 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.225 -11.005 11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.589 -10.136 12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.191 -11.616 11.405 1.00 0.00 H new ATOM 1053 N SER A 69 -3.818 -13.617 10.891 1.00 0.00 N ATOM 1054 CA SER A 69 -3.564 -14.954 10.325 1.00 0.00 C ATOM 1055 C SER A 69 -4.688 -15.514 9.419 1.00 0.00 C ATOM 1056 O SER A 69 -4.465 -16.494 8.703 1.00 0.00 O ATOM 1057 CB SER A 69 -3.297 -15.950 11.466 1.00 0.00 C ATOM 1058 OG SER A 69 -2.244 -15.523 12.327 1.00 0.00 O ATOM 0 H SER A 69 -3.847 -13.614 11.911 1.00 0.00 H new ATOM 0 HA SER A 69 -2.696 -14.832 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.208 -16.082 12.049 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.045 -16.923 11.044 1.00 0.00 H new ATOM 0 HG SER A 69 -2.112 -16.186 13.036 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.881 -14.899 9.419 1.00 0.00 N ATOM 1065 CA ASN A 70 -7.040 -15.287 8.600 1.00 0.00 C ATOM 1066 C ASN A 70 -8.031 -14.133 8.292 1.00 0.00 C ATOM 1067 O ASN A 70 -9.127 -14.388 7.786 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.757 -16.486 9.261 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.538 -16.139 10.533 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.319 -15.127 11.186 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.483 -16.977 10.923 1.00 0.00 N ATOM 0 H ASN A 70 -6.072 -14.090 10.010 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.649 -15.575 7.624 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.443 -16.926 8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.016 -17.248 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.025 -16.779 11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.670 -17.822 10.383 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.677 -12.876 8.597 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.570 -11.714 8.605 1.00 0.00 C ATOM 1080 C LEU A 71 -7.860 -10.481 8.022 1.00 0.00 C ATOM 1081 O LEU A 71 -6.723 -10.183 8.388 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.012 -11.514 10.079 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.272 -10.684 10.387 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.039 -9.172 10.262 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.453 -11.138 9.525 1.00 0.00 C ATOM 0 H LEU A 71 -6.720 -12.634 8.855 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.446 -11.868 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.158 -12.503 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.179 -11.053 10.610 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.518 -10.869 11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.963 -8.641 10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.261 -8.865 10.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.727 -8.935 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.330 -10.536 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.203 -11.015 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.668 -12.187 9.727 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.542 -9.759 7.135 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.123 -8.475 6.573 1.00 0.00 C ATOM 1099 C PHE A 72 -9.236 -7.429 6.762 1.00 0.00 C ATOM 1100 O PHE A 72 -10.411 -7.725 6.572 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.770 -8.676 5.091 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.526 -7.368 4.367 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.393 -6.593 4.675 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.494 -6.873 3.473 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.260 -5.300 4.141 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.343 -5.593 2.915 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.244 -4.796 3.273 1.00 0.00 C ATOM 0 H PHE A 72 -9.444 -10.067 6.771 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.239 -8.102 7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.880 -9.300 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.580 -9.214 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.626 -6.992 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.352 -7.477 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.403 -4.695 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.072 -5.222 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.155 -3.794 2.881 1.00 0.00 H new ATOM 1117 N SER A 73 -8.885 -6.205 7.150 1.00 0.00 N ATOM 1118 CA SER A 73 -9.835 -5.135 7.486 1.00 0.00 C ATOM 1119 C SER A 73 -9.251 -3.725 7.268 1.00 0.00 C ATOM 1120 O SER A 73 -8.031 -3.535 7.264 1.00 0.00 O ATOM 1121 CB SER A 73 -10.288 -5.324 8.938 1.00 0.00 C ATOM 1122 OG SER A 73 -11.373 -4.471 9.244 1.00 0.00 O ATOM 0 H SER A 73 -7.911 -5.918 7.243 1.00 0.00 H new ATOM 0 HA SER A 73 -10.688 -5.209 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.579 -6.362 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.457 -5.117 9.612 1.00 0.00 H new ATOM 0 HG SER A 73 -11.981 -4.427 8.477 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.123 -2.722 7.105 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.762 -1.328 6.818 1.00 0.00 C ATOM 1130 C PHE A 74 -10.871 -0.327 7.207 1.00 0.00 C ATOM 1131 O PHE A 74 -12.054 -0.677 7.246 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.377 -1.200 5.330 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.455 -1.625 4.345 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.453 -0.712 3.957 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.466 -2.935 3.821 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.460 -1.112 3.064 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.462 -3.330 2.907 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.463 -2.417 2.541 1.00 0.00 C ATOM 0 H PHE A 74 -11.131 -2.863 7.171 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.905 -1.067 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.111 -0.163 5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.485 -1.799 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.444 0.296 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.705 -3.640 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.234 -0.415 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.456 -4.327 2.491 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.240 -2.718 1.854 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.476 0.931 7.451 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.371 2.085 7.641 1.00 0.00 C ATOM 1150 C GLU A 75 -11.526 2.858 6.322 1.00 0.00 C ATOM 1151 O GLU A 75 -10.538 3.141 5.639 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.806 3.096 8.665 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.379 3.051 10.085 1.00 0.00 C ATOM 1154 CD GLU A 75 -10.565 2.174 11.043 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -10.160 1.064 10.644 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -10.326 2.614 12.194 1.00 0.00 O ATOM 0 H GLU A 75 -9.490 1.183 7.524 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.319 1.679 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.729 2.943 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.962 4.100 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.425 4.065 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.402 2.678 10.044 1.00 0.00 H new ATOM 1163 N SER A 76 -12.745 3.312 6.034 1.00 0.00 N ATOM 1164 CA SER A 76 -13.052 4.248 4.937 1.00 0.00 C ATOM 1165 C SER A 76 -13.744 5.539 5.430 1.00 0.00 C ATOM 1166 O SER A 76 -14.426 5.542 6.461 1.00 0.00 O ATOM 1167 CB SER A 76 -13.888 3.538 3.863 1.00 0.00 C ATOM 1168 OG SER A 76 -15.109 3.020 4.368 1.00 0.00 O ATOM 0 H SER A 76 -13.571 3.037 6.566 1.00 0.00 H new ATOM 0 HA SER A 76 -12.106 4.564 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.102 4.237 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.304 2.724 3.434 1.00 0.00 H new ATOM 0 HG SER A 76 -15.804 3.709 4.314 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.548 6.657 4.710 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.047 8.000 5.069 1.00 0.00 C ATOM 1176 C GLY A 77 -15.404 8.351 4.443 1.00 0.00 C ATOM 1177 O GLY A 77 -15.836 7.724 3.474 1.00 0.00 O ATOM 0 H GLY A 77 -13.023 6.653 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.131 8.067 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.313 8.744 4.760 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.076 9.393 4.960 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.474 9.737 4.610 1.00 0.00 C ATOM 1183 C ARG A 78 -17.715 10.113 3.138 1.00 0.00 C ATOM 1184 O ARG A 78 -18.852 10.044 2.671 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.021 10.808 5.583 1.00 0.00 C ATOM 1186 CG ARG A 78 -17.700 12.290 5.303 1.00 0.00 C ATOM 1187 CD ARG A 78 -18.691 12.968 4.340 1.00 0.00 C ATOM 1188 NE ARG A 78 -18.593 14.439 4.407 1.00 0.00 N ATOM 1189 CZ ARG A 78 -19.299 15.250 5.191 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -20.183 14.803 6.061 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -19.121 16.550 5.111 1.00 0.00 N ATOM 0 H ARG A 78 -15.664 10.031 5.641 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.041 8.814 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.106 10.704 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.649 10.571 6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.694 12.835 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -16.695 12.362 4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.494 12.636 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.707 12.659 4.585 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.913 14.880 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.347 13.800 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -20.703 15.460 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.444 16.932 4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.659 17.176 5.710 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.662 10.508 2.412 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.735 10.971 1.018 1.00 0.00 C ATOM 1207 C ARG A 79 -16.764 9.857 -0.037 1.00 0.00 C ATOM 1208 O ARG A 79 -17.076 10.127 -1.199 1.00 0.00 O ATOM 1209 CB ARG A 79 -15.589 11.952 0.741 1.00 0.00 C ATOM 1210 CG ARG A 79 -14.179 11.336 0.799 1.00 0.00 C ATOM 1211 CD ARG A 79 -13.117 12.308 0.268 1.00 0.00 C ATOM 1212 NE ARG A 79 -13.005 13.534 1.083 1.00 0.00 N ATOM 1213 CZ ARG A 79 -12.240 13.722 2.154 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -11.492 12.765 2.662 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -12.218 14.901 2.737 1.00 0.00 N ATOM 0 H ARG A 79 -15.713 10.515 2.785 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.700 11.469 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.737 12.392 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.644 12.766 1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.942 11.063 1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.158 10.417 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.151 11.805 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.361 12.581 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.579 14.325 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.486 11.840 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.918 12.949 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.785 15.664 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.634 15.053 3.559 1.00 0.00 H new ATOM 1229 N CYS A 80 -16.413 8.624 0.338 1.00 0.00 N ATOM 1230 CA CYS A 80 -16.307 7.506 -0.612 1.00 0.00 C ATOM 1231 C CYS A 80 -17.675 6.852 -0.923 1.00 0.00 C ATOM 1232 O CYS A 80 -18.713 7.264 -0.397 1.00 0.00 O ATOM 1233 CB CYS A 80 -15.222 6.525 -0.129 1.00 0.00 C ATOM 1234 SG CYS A 80 -15.854 5.471 1.200 1.00 0.00 S ATOM 0 H CYS A 80 -16.195 8.370 1.302 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.986 7.888 -1.581 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.888 5.907 -0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.353 7.081 0.224 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.970 6.170 2.290 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.669 5.835 -1.788 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.858 5.128 -2.290 1.00 0.00 C ATOM 1242 C GLN A 81 -19.684 4.478 -1.169 1.00 0.00 C ATOM 1243 O GLN A 81 -20.912 4.614 -1.158 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.380 4.114 -3.346 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.401 3.045 -3.790 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.288 1.704 -3.087 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -18.202 1.260 -2.757 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.365 0.965 -2.915 1.00 0.00 N ATOM 0 H GLN A 81 -16.802 5.464 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.546 5.840 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -18.060 4.667 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.501 3.603 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.405 3.437 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -19.290 2.884 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.280 1.325 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.284 0.032 -2.510 1.00 0.00 H new ATOM 1257 N THR A 82 -19.022 3.812 -0.215 1.00 0.00 N ATOM 1258 CA THR A 82 -19.655 3.235 0.988 1.00 0.00 C ATOM 1259 C THR A 82 -19.868 4.231 2.126 1.00 0.00 C ATOM 1260 O THR A 82 -20.798 4.063 2.917 1.00 0.00 O ATOM 1261 CB THR A 82 -18.845 2.046 1.513 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.550 2.464 1.886 1.00 0.00 O ATOM 1263 CG2 THR A 82 -18.717 0.971 0.436 1.00 0.00 C ATOM 0 H THR A 82 -18.015 3.654 -0.253 1.00 0.00 H new ATOM 0 HA THR A 82 -20.643 2.913 0.658 1.00 0.00 H new ATOM 0 HB THR A 82 -19.367 1.639 2.379 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.404 3.385 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.139 0.133 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 82 -19.710 0.624 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.211 1.387 -0.435 1.00 0.00 H new ATOM 1271 N GLY A 83 -19.012 5.251 2.220 1.00 0.00 N ATOM 1272 CA GLY A 83 -18.953 6.213 3.326 1.00 0.00 C ATOM 1273 C GLY A 83 -18.154 5.675 4.518 1.00 0.00 C ATOM 1274 O GLY A 83 -17.274 4.825 4.363 1.00 0.00 O ATOM 0 H GLY A 83 -18.313 5.438 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.500 7.140 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.965 6.456 3.649 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.450 6.194 5.712 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.828 5.758 6.971 1.00 0.00 C ATOM 1280 C GLN A 84 -18.141 4.291 7.300 1.00 0.00 C ATOM 1281 O GLN A 84 -19.292 3.854 7.208 1.00 0.00 O ATOM 1282 CB GLN A 84 -18.310 6.620 8.151 1.00 0.00 C ATOM 1283 CG GLN A 84 -17.824 8.071 8.079 1.00 0.00 C ATOM 1284 CD GLN A 84 -18.212 8.896 9.307 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -19.310 8.804 9.846 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -17.336 9.750 9.793 1.00 0.00 N ATOM 0 H GLN A 84 -19.136 6.938 5.836 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.753 5.871 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -19.400 6.610 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.964 6.174 9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -16.739 8.080 7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -18.237 8.542 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -16.418 9.841 9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -17.576 10.321 10.604 1.00 0.00 H new ATOM 1295 N GLY A 85 -17.125 3.556 7.764 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.271 2.216 8.330 1.00 0.00 C ATOM 1297 C GLY A 85 -15.960 1.436 8.369 1.00 0.00 C ATOM 1298 O GLY A 85 -14.972 1.802 7.728 1.00 0.00 O ATOM 0 H GLY A 85 -16.160 3.885 7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.669 2.297 9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.001 1.658 7.744 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.970 0.346 9.137 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.921 -0.678 9.153 1.00 0.00 C ATOM 1304 C ILE A 86 -15.527 -1.973 8.622 1.00 0.00 C ATOM 1305 O ILE A 86 -16.567 -2.410 9.122 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.375 -0.881 10.578 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.721 0.423 11.064 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.362 -2.040 10.632 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.427 0.412 12.563 1.00 0.00 C ATOM 0 H ILE A 86 -16.731 0.144 9.785 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.084 -0.366 8.528 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.206 -1.141 11.234 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.792 0.585 10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.377 1.262 10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.996 -2.156 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.847 -2.962 10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.525 -1.823 9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.966 1.357 12.850 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.357 0.279 13.115 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.748 -0.408 12.795 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.860 -2.578 7.642 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.325 -3.769 6.934 1.00 0.00 C ATOM 1323 C PHE A 87 -14.231 -4.843 6.972 1.00 0.00 C ATOM 1324 O PHE A 87 -13.103 -4.595 6.541 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.700 -3.382 5.492 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.637 -2.191 5.374 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.932 -2.249 5.922 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.212 -1.016 4.723 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.798 -1.144 5.824 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.079 0.085 4.618 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.371 0.024 5.168 1.00 0.00 C ATOM 0 H PHE A 87 -13.956 -2.244 7.309 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.212 -4.181 7.415 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.786 -3.163 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -16.165 -4.242 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.263 -3.148 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.218 -0.961 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.788 -1.193 6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.751 0.981 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.034 0.872 5.087 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.566 -6.025 7.503 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.626 -7.125 7.728 1.00 0.00 C ATOM 1343 C ALA A 88 -13.956 -8.351 6.870 1.00 0.00 C ATOM 1344 O ALA A 88 -15.123 -8.729 6.702 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.623 -7.490 9.213 1.00 0.00 C ATOM 0 H ALA A 88 -15.518 -6.246 7.794 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.632 -6.791 7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.924 -8.309 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.318 -6.624 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.624 -7.798 9.514 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.898 -8.988 6.367 1.00 0.00 N ATOM 1352 CA PHE A 89 -12.971 -10.059 5.386 1.00 0.00 C ATOM 1353 C PHE A 89 -12.076 -11.230 5.788 1.00 0.00 C ATOM 1354 O PHE A 89 -10.864 -11.084 5.949 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.590 -9.518 3.997 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.400 -8.324 3.527 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.027 -7.021 3.916 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.535 -8.509 2.716 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.807 -5.919 3.530 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.306 -7.403 2.319 1.00 0.00 C ATOM 1361 CZ PHE A 89 -14.950 -6.108 2.738 1.00 0.00 C ATOM 0 H PHE A 89 -11.942 -8.763 6.642 1.00 0.00 H new ATOM 0 HA PHE A 89 -13.995 -10.432 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.536 -9.240 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.700 -10.321 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.139 -6.870 4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.814 -9.503 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.527 -4.924 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.173 -7.547 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.555 -5.261 2.451 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.679 -12.409 5.931 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.956 -13.666 6.104 1.00 0.00 C ATOM 1373 C LYS A 90 -11.268 -14.088 4.799 1.00 0.00 C ATOM 1374 O LYS A 90 -11.888 -14.081 3.729 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.914 -14.751 6.625 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.979 -14.720 8.155 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.769 -15.921 8.694 1.00 0.00 C ATOM 1378 CE LYS A 90 -13.776 -15.878 10.228 1.00 0.00 C ATOM 1379 NZ LYS A 90 -14.607 -16.963 10.810 1.00 0.00 N ATOM 0 H LYS A 90 -13.693 -12.519 5.930 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.169 -13.525 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.910 -14.595 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.579 -15.732 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.970 -14.729 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.449 -13.793 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.790 -15.899 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.320 -16.851 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.754 -15.965 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.155 -14.912 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.175 -17.294 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.563 -16.602 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.666 -17.754 10.137 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.993 -14.470 4.907 1.00 0.00 N ATOM 1394 CA CYS A 91 -9.122 -14.888 3.804 1.00 0.00 C ATOM 1395 C CYS A 91 -7.811 -15.507 4.325 1.00 0.00 C ATOM 1396 O CYS A 91 -7.214 -15.023 5.284 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.884 -13.695 2.853 1.00 0.00 C ATOM 1398 SG CYS A 91 -8.168 -12.263 3.710 1.00 0.00 S ATOM 0 H CYS A 91 -9.517 -14.498 5.809 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.616 -15.675 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.218 -14.003 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -9.829 -13.405 2.393 1.00 0.00 H new ATOM 0 HG CYS A 91 -9.045 -11.765 4.530 1.00 0.00 H new ATOM 1404 N SER A 92 -7.334 -16.566 3.672 1.00 0.00 N ATOM 1405 CA SER A 92 -6.125 -17.307 4.096 1.00 0.00 C ATOM 1406 C SER A 92 -4.806 -16.667 3.616 1.00 0.00 C ATOM 1407 O SER A 92 -3.730 -17.227 3.840 1.00 0.00 O ATOM 1408 CB SER A 92 -6.216 -18.779 3.661 1.00 0.00 C ATOM 1409 OG SER A 92 -7.338 -19.425 4.253 1.00 0.00 O ATOM 0 H SER A 92 -7.769 -16.943 2.830 1.00 0.00 H new ATOM 0 HA SER A 92 -6.099 -17.255 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.292 -18.835 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.302 -19.301 3.944 1.00 0.00 H new ATOM 0 HG SER A 92 -7.371 -20.359 3.957 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.878 -15.490 2.973 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.730 -14.750 2.432 1.00 0.00 C ATOM 1417 C ARG A 93 -3.737 -13.250 2.784 1.00 0.00 C ATOM 1418 O ARG A 93 -3.142 -12.433 2.082 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.568 -15.060 0.931 1.00 0.00 C ATOM 1420 CG ARG A 93 -4.606 -14.489 -0.037 1.00 0.00 C ATOM 1421 CD ARG A 93 -6.071 -14.941 0.081 1.00 0.00 C ATOM 1422 NE ARG A 93 -6.231 -16.393 -0.097 1.00 0.00 N ATOM 1423 CZ ARG A 93 -7.319 -17.110 0.160 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -8.465 -16.568 0.520 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -7.266 -18.415 0.055 1.00 0.00 N ATOM 0 H ARG A 93 -5.765 -15.014 2.811 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.829 -15.106 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.588 -14.700 0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.562 -16.144 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.588 -13.404 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.272 -14.719 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.458 -14.654 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.670 -14.419 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.422 -16.901 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.544 -15.555 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.273 -17.161 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.396 -18.869 -0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.095 -18.976 0.250 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.387 -12.883 3.894 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.480 -11.514 4.417 1.00 0.00 C ATOM 1441 C ALA A 94 -3.125 -10.780 4.508 1.00 0.00 C ATOM 1442 O ALA A 94 -3.050 -9.593 4.195 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.139 -11.588 5.798 1.00 0.00 C ATOM 0 H ALA A 94 -4.883 -13.558 4.476 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.073 -10.928 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.223 -10.585 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.133 -12.026 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.531 -12.206 6.459 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.049 -11.483 4.876 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.689 -10.936 4.924 1.00 0.00 C ATOM 1451 C GLU A 95 -0.128 -10.598 3.532 1.00 0.00 C ATOM 1452 O GLU A 95 0.543 -9.583 3.383 1.00 0.00 O ATOM 1453 CB GLU A 95 0.214 -11.936 5.655 1.00 0.00 C ATOM 1454 CG GLU A 95 1.646 -11.419 5.812 1.00 0.00 C ATOM 1455 CD GLU A 95 2.479 -12.328 6.729 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.681 -13.518 6.387 1.00 0.00 O ATOM 1457 OE2 GLU A 95 2.958 -11.859 7.787 1.00 0.00 O ATOM 0 H GLU A 95 -2.099 -12.463 5.153 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.720 -9.990 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.204 -12.147 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.228 -12.878 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.120 -11.357 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.626 -10.409 6.221 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.430 -11.388 2.497 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.031 -11.081 1.115 1.00 0.00 C ATOM 1466 C GLU A 96 -0.796 -9.876 0.554 1.00 0.00 C ATOM 1467 O GLU A 96 -0.230 -9.084 -0.201 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.221 -12.296 0.192 1.00 0.00 C ATOM 1469 CG GLU A 96 0.690 -13.484 0.520 1.00 0.00 C ATOM 1470 CD GLU A 96 2.170 -13.152 0.258 1.00 0.00 C ATOM 1471 OE1 GLU A 96 2.833 -12.551 1.137 1.00 0.00 O ATOM 1472 OE2 GLU A 96 2.678 -13.491 -0.838 1.00 0.00 O ATOM 0 H GLU A 96 -0.956 -12.257 2.590 1.00 0.00 H new ATOM 0 HA GLU A 96 1.029 -10.828 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.259 -12.622 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.040 -11.988 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.559 -13.766 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.397 -14.345 -0.082 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.052 -9.683 0.970 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.814 -8.456 0.678 1.00 0.00 C ATOM 1481 C ILE A 97 -2.146 -7.256 1.368 1.00 0.00 C ATOM 1482 O ILE A 97 -1.874 -6.252 0.713 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.305 -8.612 1.070 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -4.965 -9.776 0.288 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.057 -7.292 0.814 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.351 -10.171 0.815 1.00 0.00 C ATOM 0 H ILE A 97 -2.571 -10.369 1.518 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.801 -8.274 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.360 -8.849 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.053 -9.492 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.310 -10.646 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.104 -7.410 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.610 -6.497 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.989 -7.034 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.747 -10.991 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.268 -10.487 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.023 -9.315 0.748 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.807 -7.374 2.656 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.101 -6.342 3.426 1.00 0.00 C ATOM 1500 C PHE A 98 0.290 -6.012 2.845 1.00 0.00 C ATOM 1501 O PHE A 98 0.679 -4.841 2.800 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.057 -6.801 4.891 1.00 0.00 C ATOM 1503 CG PHE A 98 0.142 -6.362 5.708 1.00 0.00 C ATOM 1504 CD1 PHE A 98 0.144 -5.122 6.370 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.249 -7.224 5.833 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.243 -4.757 7.167 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.347 -6.856 6.623 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.342 -5.626 7.298 1.00 0.00 C ATOM 0 H PHE A 98 -2.020 -8.207 3.205 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.640 -5.397 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.957 -6.440 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.099 -7.890 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.696 -4.452 6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.252 -8.173 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.244 -3.807 7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.195 -7.518 6.712 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.181 -5.346 7.918 1.00 0.00 H new ATOM 1518 N ASN A 99 1.018 -7.016 2.347 1.00 0.00 N ATOM 1519 CA ASN A 99 2.311 -6.851 1.679 1.00 0.00 C ATOM 1520 C ASN A 99 2.184 -6.146 0.318 1.00 0.00 C ATOM 1521 O ASN A 99 3.079 -5.380 -0.047 1.00 0.00 O ATOM 1522 CB ASN A 99 2.993 -8.222 1.498 1.00 0.00 C ATOM 1523 CG ASN A 99 3.564 -8.822 2.783 1.00 0.00 C ATOM 1524 OD1 ASN A 99 3.966 -8.121 3.705 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.674 -10.138 2.867 1.00 0.00 N ATOM 0 H ASN A 99 0.717 -7.989 2.399 1.00 0.00 H new ATOM 0 HA ASN A 99 2.923 -6.215 2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.270 -8.920 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.799 -8.119 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.091 -10.563 3.695 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.342 -10.727 2.104 1.00 0.00 H new ATOM 1532 N LEU A 100 1.084 -6.355 -0.422 1.00 0.00 N ATOM 1533 CA LEU A 100 0.874 -5.731 -1.731 1.00 0.00 C ATOM 1534 C LEU A 100 0.279 -4.324 -1.612 1.00 0.00 C ATOM 1535 O LEU A 100 0.702 -3.439 -2.351 1.00 0.00 O ATOM 1536 CB LEU A 100 0.025 -6.670 -2.609 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.183 -6.165 -4.055 1.00 0.00 C ATOM 1538 CD1 LEU A 100 1.129 -5.851 -4.794 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.961 -7.219 -4.855 1.00 0.00 C ATOM 0 H LEU A 100 0.318 -6.961 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 100 1.839 -5.589 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.503 -7.649 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.949 -6.807 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.738 -5.230 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.904 -5.502 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.674 -5.076 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.740 -6.752 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.109 -6.865 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.397 -8.152 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.930 -7.390 -4.386 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.633 -4.080 -0.663 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.270 -2.773 -0.456 1.00 0.00 C ATOM 1553 C LEU A 101 -0.249 -1.647 -0.334 1.00 0.00 C ATOM 1554 O LEU A 101 -0.274 -0.708 -1.120 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.154 -2.809 0.806 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.552 -3.385 0.562 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.284 -3.530 1.894 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.379 -2.496 -0.376 1.00 0.00 C ATOM 0 H LEU A 101 -0.954 -4.794 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.884 -2.570 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.655 -3.403 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.251 -1.797 1.200 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.432 -4.358 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.279 -3.940 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.724 -4.201 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.372 -2.553 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.364 -2.940 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.490 -1.505 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.872 -2.411 -1.337 1.00 0.00 H new ATOM 1570 N GLN A 102 0.676 -1.774 0.612 1.00 0.00 N ATOM 1571 CA GLN A 102 1.720 -0.775 0.863 1.00 0.00 C ATOM 1572 C GLN A 102 2.641 -0.513 -0.350 1.00 0.00 C ATOM 1573 O GLN A 102 3.192 0.580 -0.460 1.00 0.00 O ATOM 1574 CB GLN A 102 2.513 -1.171 2.120 1.00 0.00 C ATOM 1575 CG GLN A 102 3.276 -2.501 1.991 1.00 0.00 C ATOM 1576 CD GLN A 102 3.827 -2.965 3.340 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.881 -2.540 3.797 1.00 0.00 O ATOM 1578 NE2 GLN A 102 3.125 -3.835 4.039 1.00 0.00 N ATOM 0 H GLN A 102 0.726 -2.580 1.235 1.00 0.00 H new ATOM 0 HA GLN A 102 1.224 0.180 1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.224 -0.378 2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.826 -1.240 2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.612 -3.265 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.096 -2.384 1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.246 -4.196 3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.461 -4.147 4.950 1.00 0.00 H new ATOM 1587 N ASP A 103 2.765 -1.461 -1.289 1.00 0.00 N ATOM 1588 CA ASP A 103 3.542 -1.312 -2.531 1.00 0.00 C ATOM 1589 C ASP A 103 2.803 -0.497 -3.611 1.00 0.00 C ATOM 1590 O ASP A 103 3.434 0.109 -4.481 1.00 0.00 O ATOM 1591 CB ASP A 103 3.907 -2.704 -3.087 1.00 0.00 C ATOM 1592 CG ASP A 103 5.427 -2.877 -3.226 1.00 0.00 C ATOM 1593 OD1 ASP A 103 5.977 -2.538 -4.300 1.00 0.00 O ATOM 1594 OD2 ASP A 103 6.073 -3.353 -2.260 1.00 0.00 O ATOM 0 H ASP A 103 2.318 -2.374 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 103 4.444 -0.756 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.511 -3.475 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.434 -2.844 -4.059 1.00 0.00 H new ATOM 1599 N LEU A 104 1.468 -0.469 -3.546 1.00 0.00 N ATOM 1600 CA LEU A 104 0.578 0.249 -4.467 1.00 0.00 C ATOM 1601 C LEU A 104 0.139 1.606 -3.891 1.00 0.00 C ATOM 1602 O LEU A 104 0.059 2.594 -4.619 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.623 -0.663 -4.803 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.230 -2.048 -5.371 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.483 -2.901 -5.576 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.566 -1.953 -6.679 1.00 0.00 C ATOM 0 H LEU A 104 0.955 -0.967 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 104 1.114 0.480 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.218 -0.808 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.260 -0.154 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 104 0.425 -2.520 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.199 -3.874 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.992 -3.035 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.152 -2.402 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.813 -2.956 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.033 -1.443 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.485 -1.393 -6.506 1.00 0.00 H new ATOM 1618 N MET A 105 -0.045 1.694 -2.571 1.00 0.00 N ATOM 1619 CA MET A 105 -0.391 2.925 -1.842 1.00 0.00 C ATOM 1620 C MET A 105 0.752 3.954 -1.822 1.00 0.00 C ATOM 1621 O MET A 105 0.501 5.156 -1.794 1.00 0.00 O ATOM 1622 CB MET A 105 -0.821 2.557 -0.414 1.00 0.00 C ATOM 1623 CG MET A 105 -2.160 1.806 -0.428 1.00 0.00 C ATOM 1624 SD MET A 105 -2.839 1.341 1.183 1.00 0.00 S ATOM 1625 CE MET A 105 -3.326 2.978 1.784 1.00 0.00 C ATOM 0 H MET A 105 0.045 0.885 -1.956 1.00 0.00 H new ATOM 0 HA MET A 105 -1.215 3.405 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.056 1.938 0.054 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.911 3.461 0.188 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.894 2.426 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.037 0.900 -1.021 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.879 2.873 2.717 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.435 3.582 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.957 3.466 1.041 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.817 -5.303 6.321 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.169 -5.217 7.743 1.00 0.00 C ATOM 2273 C PHE B 2 -20.243 -4.221 8.448 1.00 0.00 C ATOM 2274 O PHE B 2 -19.028 -4.425 8.477 1.00 0.00 O ATOM 2275 CB PHE B 2 -21.078 -6.610 8.383 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.580 -6.671 9.814 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.791 -6.183 10.876 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.845 -7.226 10.085 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.288 -6.211 12.192 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.325 -7.285 11.404 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.552 -6.764 12.458 1.00 0.00 C ATOM 0 HA PHE B 2 -22.193 -4.859 7.847 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.651 -7.313 7.779 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -20.040 -6.941 8.360 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.805 -5.788 10.679 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.449 -7.608 9.275 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.696 -5.806 13.000 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.287 -7.730 11.609 1.00 0.00 H new ATOM 0 HZ PHE B 2 -22.930 -6.789 13.470 1.00 0.00 H new ATOM 2291 N ARG B 3 -20.820 -3.157 9.017 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.062 -2.109 9.716 1.00 0.00 C ATOM 2293 C ARG B 3 -19.675 -2.554 11.135 1.00 0.00 C ATOM 2294 O ARG B 3 -20.541 -2.893 11.945 1.00 0.00 O ATOM 2295 CB ARG B 3 -20.795 -0.749 9.661 1.00 0.00 C ATOM 2296 CG ARG B 3 -21.905 -0.461 10.695 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.108 -1.416 10.701 1.00 0.00 C ATOM 2298 NE ARG B 3 -23.922 -1.291 9.477 1.00 0.00 N ATOM 2299 CZ ARG B 3 -25.088 -1.888 9.252 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -25.610 -2.743 10.108 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -25.757 -1.627 8.150 1.00 0.00 N ATOM 0 H ARG B 3 -21.827 -2.996 9.007 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.120 -1.952 9.190 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -20.044 0.035 9.756 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.235 -0.651 8.668 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -21.456 -0.473 11.688 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -22.274 0.550 10.525 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -22.755 -2.443 10.798 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -23.730 -1.210 11.572 1.00 0.00 H new ATOM 0 HE ARG B 3 -23.557 -0.692 8.736 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -25.117 -2.964 10.973 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -26.507 -3.184 9.905 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -25.381 -0.967 7.469 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -26.652 -2.085 7.976 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.377 -2.575 11.441 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.863 -2.965 12.760 1.00 0.00 C ATOM 2317 C LEU B 4 -17.811 -1.803 13.758 1.00 0.00 C ATOM 2318 O LEU B 4 -17.706 -0.631 13.385 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.485 -3.631 12.607 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.546 -5.033 11.990 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.128 -5.489 11.659 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.163 -6.037 12.961 1.00 0.00 C ATOM 0 H LEU B 4 -17.645 -2.320 10.777 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.567 -3.683 13.181 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -15.851 -2.997 11.986 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.011 -3.694 13.586 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.163 -4.987 11.093 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.160 -6.486 11.219 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.678 -4.794 10.950 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.532 -5.514 12.571 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.193 -7.022 12.496 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.561 -6.083 13.869 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.176 -5.724 13.213 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.862 -2.171 15.043 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.883 -1.256 16.198 1.00 0.00 C ATOM 2336 C ARG B 5 -16.480 -0.800 16.647 1.00 0.00 C ATOM 2337 O ARG B 5 -16.351 0.155 17.414 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.616 -1.939 17.369 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.067 -2.318 17.021 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.795 -2.947 18.215 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.235 -4.265 18.575 1.00 0.00 N ATOM 2342 CZ ARG B 5 -20.381 -4.888 19.739 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -21.054 -4.358 20.741 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -19.848 -6.075 19.918 1.00 0.00 N ATOM 0 H ARG B 5 -17.891 -3.152 15.322 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.409 -0.354 15.884 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.070 -2.836 17.660 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.616 -1.272 18.231 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.606 -1.429 16.694 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.069 -3.017 16.185 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -20.728 -2.278 19.073 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -21.853 -3.056 17.978 1.00 0.00 H new ATOM 0 HE ARG B 5 -19.684 -4.742 17.862 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -21.484 -3.439 20.637 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -21.145 -4.867 21.620 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -19.323 -6.517 19.164 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -19.959 -6.555 20.811 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.434 -1.474 16.165 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.012 -1.265 16.478 1.00 0.00 C ATOM 2360 C HIS B 6 -13.114 -1.951 15.424 1.00 0.00 C ATOM 2361 O HIS B 6 -13.607 -2.735 14.605 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.711 -1.790 17.896 1.00 0.00 C ATOM 2363 CG HIS B 6 -13.731 -3.294 18.006 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -12.618 -4.124 17.858 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -14.835 -4.065 18.223 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -13.081 -5.378 17.997 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -14.407 -5.376 18.216 1.00 0.00 N ATOM 0 H HIS B 6 -15.564 -2.235 15.498 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.793 -0.198 16.449 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -12.732 -1.425 18.208 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -14.442 -1.375 18.590 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -15.847 -3.717 18.371 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -12.470 -6.267 17.940 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -14.994 -6.199 18.353 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.805 -1.675 15.436 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.865 -2.274 14.485 1.00 0.00 C ATOM 2377 C PHE B 7 -10.357 -3.645 14.992 1.00 0.00 C ATOM 2378 O PHE B 7 -9.755 -3.691 16.069 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.723 -1.280 14.192 1.00 0.00 C ATOM 2380 CG PHE B 7 -8.970 -1.569 12.908 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.687 -1.765 11.716 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.563 -1.601 12.883 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.017 -2.027 10.518 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -6.889 -1.853 11.674 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.617 -2.066 10.493 1.00 0.00 C ATOM 0 H PHE B 7 -11.371 -1.035 16.101 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.376 -2.474 13.543 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.136 -0.273 14.140 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -9.020 -1.294 15.025 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.766 -1.713 11.726 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.002 -1.432 13.790 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.578 -2.199 9.612 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -5.810 -1.883 11.655 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.098 -2.260 9.566 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.572 -4.755 14.249 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.278 -6.113 14.719 1.00 0.00 C ATOM 2397 C PRO B 8 -8.785 -6.483 14.685 1.00 0.00 C ATOM 2398 O PRO B 8 -8.415 -7.528 15.219 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.105 -7.035 13.815 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.138 -6.276 12.492 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.226 -4.820 12.946 1.00 0.00 C ATOM 0 HA PRO B 8 -10.539 -6.208 15.773 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.642 -8.016 13.707 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.107 -7.198 14.212 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.245 -6.462 11.896 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -11.994 -6.563 11.881 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.735 -4.160 12.231 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.265 -4.497 13.016 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.926 -5.652 14.076 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.497 -5.929 13.906 1.00 0.00 C ATOM 2411 C CYS B 9 -5.629 -5.368 15.055 1.00 0.00 C ATOM 2412 O CYS B 9 -5.115 -6.131 15.879 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.090 -5.405 12.520 1.00 0.00 C ATOM 2414 SG CYS B 9 -4.307 -5.649 12.343 1.00 0.00 S ATOM 0 H CYS B 9 -8.212 -4.755 13.683 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.318 -7.003 13.957 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.629 -5.938 11.736 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -6.344 -4.350 12.420 1.00 0.00 H new ATOM 0 HG CYS B 9 -4.079 -6.811 11.807 1.00 0.00 H new ATOM 2420 N GLY B 10 -5.425 -4.043 15.083 1.00 0.00 N ATOM 2421 CA GLY B 10 -4.514 -3.330 15.998 1.00 0.00 C ATOM 2422 C GLY B 10 -3.079 -3.189 15.469 1.00 0.00 C ATOM 2423 O GLY B 10 -2.490 -2.114 15.581 1.00 0.00 O ATOM 0 H GLY B 10 -5.908 -3.411 14.444 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.917 -2.336 16.194 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -4.488 -3.857 16.952 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.518 -4.237 14.856 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.188 -4.217 14.227 1.00 0.00 C ATOM 2429 C ASN B 11 -1.280 -3.596 12.819 1.00 0.00 C ATOM 2430 O ASN B 11 -1.538 -4.296 11.839 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.600 -5.640 14.193 1.00 0.00 C ATOM 2432 CG ASN B 11 -0.310 -6.173 15.593 1.00 0.00 C ATOM 2433 OD1 ASN B 11 -1.069 -6.955 16.154 1.00 0.00 O ATOM 2434 ND2 ASN B 11 0.788 -5.760 16.205 1.00 0.00 N ATOM 0 H ASN B 11 -2.983 -5.142 14.780 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.513 -3.597 14.816 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -1.297 -6.308 13.688 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.320 -5.638 13.608 1.00 0.00 H new ATOM 0 HD21 ASN B 11 1.004 -6.092 17.145 1.00 0.00 H new ATOM 0 HD22 ASN B 11 1.419 -5.109 15.737 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.077 -2.278 12.712 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.402 -1.515 11.496 1.00 0.00 C ATOM 2443 C VAL B 12 -0.347 -0.471 11.110 1.00 0.00 C ATOM 2444 O VAL B 12 0.207 0.229 11.957 1.00 0.00 O ATOM 2445 CB VAL B 12 -2.812 -0.899 11.657 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -2.895 0.236 12.691 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -3.362 -0.412 10.317 1.00 0.00 C ATOM 0 H VAL B 12 -0.684 -1.709 13.462 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.399 -2.209 10.656 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.427 -1.714 12.039 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.918 0.610 12.740 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.600 -0.141 13.670 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.227 1.045 12.397 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.354 0.015 10.464 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.697 0.347 9.905 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.428 -1.251 9.624 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.103 -0.381 9.801 1.00 0.00 N ATOM 2458 CA ASN B 13 0.682 0.648 9.117 1.00 0.00 C ATOM 2459 C ASN B 13 -0.234 1.709 8.473 1.00 0.00 C ATOM 2460 O ASN B 13 -1.305 1.403 7.944 1.00 0.00 O ATOM 2461 CB ASN B 13 1.650 0.015 8.089 1.00 0.00 C ATOM 2462 CG ASN B 13 1.071 -1.013 7.110 1.00 0.00 C ATOM 2463 OD1 ASN B 13 -0.033 -1.523 7.248 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.838 -1.398 6.103 1.00 0.00 N ATOM 0 H ASN B 13 -0.473 -1.071 9.148 1.00 0.00 H new ATOM 0 HA ASN B 13 1.292 1.161 9.860 1.00 0.00 H new ATOM 0 HB2 ASN B 13 2.095 0.821 7.506 1.00 0.00 H new ATOM 0 HB3 ASN B 13 2.459 -0.464 8.640 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.507 -2.111 5.454 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.760 -0.981 5.976 1.00 0.00 H new ATOM 2471 N TYR B 14 0.194 2.977 8.531 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.558 4.136 8.029 1.00 0.00 C ATOM 2473 C TYR B 14 0.052 4.674 6.721 1.00 0.00 C ATOM 2474 O TYR B 14 1.262 4.907 6.640 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.596 5.222 9.116 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.187 4.778 10.445 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.551 4.435 10.538 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.374 4.712 11.597 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.100 4.036 11.771 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.918 4.313 12.833 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.288 3.976 12.925 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.828 3.596 14.116 1.00 0.00 O ATOM 0 H TYR B 14 1.094 3.232 8.938 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.578 3.827 7.799 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.419 5.579 9.288 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.173 6.068 8.743 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.178 4.479 9.659 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.673 4.969 11.530 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.146 3.775 11.835 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.289 4.264 13.710 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.134 3.607 14.808 1.00 0.00 H new