USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= 0.516 K(o=0.51,f=-0.067) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.0012 USER MOD Single : A 17 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.014) USER MOD Single : A 19 ASN : amide:sc= -0.751 K(o=-0.75,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.9 K(o=-1.9,f=-4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0285 (180deg=-0.258) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.78! USER MOD Single : A 41 SER OG : rot 180:sc= -0.134 USER MOD Single : A 44 MET CE :methyl -166:sc= 0 (180deg=-0.186) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0102 (180deg=-0.174) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 48 CYS SG : rot 49:sc= 1.16 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 147:sc= -0.565 (180deg=-1.4) USER MOD Single : A 57 GLN :FLIP amide:sc=-0.00861 F(o=-1.3,f=-0.0086) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00814 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.183 F(o=-1.4,f=-0.18) USER MOD Single : A 78 MET CE :methyl 150:sc= -2.47 (180deg=-3.72!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.34 F(o=-1.2!,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.842 11.062 9.941 1.00 0.00 N ATOM 243 CA HIS A 17 -6.342 10.331 8.820 1.00 0.00 C ATOM 244 C HIS A 17 -7.325 9.244 8.492 1.00 0.00 C ATOM 245 O HIS A 17 -8.182 8.917 9.310 1.00 0.00 O ATOM 246 CB HIS A 17 -4.941 9.764 9.099 1.00 0.00 C ATOM 247 CG HIS A 17 -4.797 9.028 10.397 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.467 9.649 11.581 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.923 7.714 10.690 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.400 8.750 12.541 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.672 7.569 12.030 1.00 0.00 N ATOM 0 HA HIS A 17 -6.236 10.997 7.963 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.671 9.090 8.286 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.225 10.585 9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.175 6.925 9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.161 8.949 13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -4.693 6.689 12.546 1.00 0.00 H new ATOM 260 N ILE A 18 -7.207 8.668 7.332 1.00 0.00 N ATOM 261 CA ILE A 18 -8.183 7.709 6.889 1.00 0.00 C ATOM 262 C ILE A 18 -7.676 6.292 6.988 1.00 0.00 C ATOM 263 O ILE A 18 -6.491 6.043 7.230 1.00 0.00 O ATOM 264 CB ILE A 18 -8.656 7.989 5.448 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.510 7.819 4.442 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.239 9.389 5.354 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.959 7.910 2.999 1.00 0.00 C ATOM 0 H ILE A 18 -6.447 8.843 6.674 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.033 7.818 7.562 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.429 7.263 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.756 8.583 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.033 6.853 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.570 9.577 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.088 9.476 6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.478 10.119 5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.099 7.781 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.691 7.129 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.410 8.886 2.819 1.00 0.00 H new ATOM 279 N ASN A 19 -8.577 5.365 6.822 1.00 0.00 N ATOM 280 CA ASN A 19 -8.255 3.960 6.879 1.00 0.00 C ATOM 281 C ASN A 19 -8.166 3.420 5.472 1.00 0.00 C ATOM 282 O ASN A 19 -8.883 3.864 4.591 1.00 0.00 O ATOM 283 CB ASN A 19 -9.339 3.199 7.650 1.00 0.00 C ATOM 284 CG ASN A 19 -9.650 3.824 8.994 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.031 3.500 10.000 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.623 4.723 9.017 1.00 0.00 N ATOM 0 H ASN A 19 -9.562 5.560 6.642 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.302 3.829 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.249 3.165 7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.017 2.168 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.881 5.173 9.895 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.114 4.965 8.156 1.00 0.00 H new ATOM 293 N LEU A 20 -7.280 2.499 5.249 1.00 0.00 N ATOM 294 CA LEU A 20 -7.146 1.872 3.953 1.00 0.00 C ATOM 295 C LEU A 20 -7.079 0.376 4.097 1.00 0.00 C ATOM 296 O LEU A 20 -6.824 -0.151 5.182 1.00 0.00 O ATOM 297 CB LEU A 20 -5.906 2.380 3.205 1.00 0.00 C ATOM 298 CG LEU A 20 -6.144 3.476 2.158 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.276 3.094 1.218 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.425 4.806 2.818 1.00 0.00 C ATOM 0 H LEU A 20 -6.627 2.155 5.953 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.027 2.138 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.194 2.757 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.434 1.531 2.710 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.232 3.576 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.424 3.888 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.024 2.167 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.193 2.953 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.590 5.564 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.314 4.722 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.574 5.093 3.436 1.00 0.00 H new ATOM 312 N LYS A 21 -7.328 -0.311 3.014 1.00 0.00 N ATOM 313 CA LYS A 21 -7.278 -1.747 2.988 1.00 0.00 C ATOM 314 C LYS A 21 -6.557 -2.207 1.756 1.00 0.00 C ATOM 315 O LYS A 21 -6.627 -1.572 0.708 1.00 0.00 O ATOM 316 CB LYS A 21 -8.681 -2.323 2.992 1.00 0.00 C ATOM 317 CG LYS A 21 -9.449 -2.046 4.259 1.00 0.00 C ATOM 318 CD LYS A 21 -10.931 -2.341 4.096 1.00 0.00 C ATOM 319 CE LYS A 21 -11.191 -3.805 3.791 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.642 -4.086 3.643 1.00 0.00 N ATOM 0 H LYS A 21 -7.573 0.114 2.120 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.747 -2.093 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.234 -1.914 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.621 -3.401 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.045 -2.653 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.315 -1.003 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.458 -2.062 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.336 -1.726 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.671 -4.084 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.781 -4.422 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.781 -5.096 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.134 -3.843 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.028 -3.516 2.864 1.00 0.00 H new ATOM 334 N VAL A 22 -5.873 -3.306 1.862 1.00 0.00 N ATOM 335 CA VAL A 22 -5.159 -3.853 0.733 1.00 0.00 C ATOM 336 C VAL A 22 -5.536 -5.296 0.526 1.00 0.00 C ATOM 337 O VAL A 22 -5.262 -6.155 1.372 1.00 0.00 O ATOM 338 CB VAL A 22 -3.627 -3.735 0.881 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.943 -4.443 -0.261 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.200 -2.281 0.913 1.00 0.00 C ATOM 0 H VAL A 22 -5.790 -3.849 2.721 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.449 -3.263 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.336 -4.202 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.862 -4.355 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.224 -5.496 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.248 -3.990 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.117 -2.222 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.502 -1.793 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.674 -1.781 1.758 1.00 0.00 H new ATOM 350 N ALA A 23 -6.184 -5.561 -0.581 1.00 0.00 N ATOM 351 CA ALA A 23 -6.582 -6.894 -0.920 1.00 0.00 C ATOM 352 C ALA A 23 -5.503 -7.556 -1.737 1.00 0.00 C ATOM 353 O ALA A 23 -5.125 -7.074 -2.808 1.00 0.00 O ATOM 354 CB ALA A 23 -7.895 -6.891 -1.674 1.00 0.00 C ATOM 0 H ALA A 23 -6.448 -4.855 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.727 -7.459 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.176 -7.915 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.670 -6.442 -1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.786 -6.314 -2.592 1.00 0.00 H new ATOM 360 N GLY A 24 -5.031 -8.667 -1.261 1.00 0.00 N ATOM 361 CA GLY A 24 -3.972 -9.346 -1.915 1.00 0.00 C ATOM 362 C GLY A 24 -4.498 -10.342 -2.905 1.00 0.00 C ATOM 363 O GLY A 24 -5.664 -10.727 -2.851 1.00 0.00 O ATOM 0 H GLY A 24 -5.371 -9.121 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.334 -8.625 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.352 -9.855 -1.177 1.00 0.00 H new ATOM 367 N GLN A 25 -3.646 -10.789 -3.794 1.00 0.00 N ATOM 368 CA GLN A 25 -4.023 -11.774 -4.805 1.00 0.00 C ATOM 369 C GLN A 25 -4.333 -13.128 -4.171 1.00 0.00 C ATOM 370 O GLN A 25 -4.864 -14.035 -4.814 1.00 0.00 O ATOM 371 CB GLN A 25 -2.925 -11.912 -5.867 1.00 0.00 C ATOM 372 CG GLN A 25 -1.483 -11.890 -5.333 1.00 0.00 C ATOM 373 CD GLN A 25 -1.251 -12.773 -4.110 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.310 -12.305 -2.971 1.00 0.00 O ATOM 375 NE2 GLN A 25 -1.035 -14.045 -4.335 1.00 0.00 N ATOM 0 H GLN A 25 -2.673 -10.488 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.930 -11.418 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.080 -12.846 -6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.039 -11.104 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.809 -12.207 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.217 -10.863 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.993 -14.394 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.909 -14.687 -3.553 1.00 0.00 H new ATOM 384 N ASP A 26 -3.981 -13.261 -2.909 1.00 0.00 N ATOM 385 CA ASP A 26 -4.219 -14.474 -2.159 1.00 0.00 C ATOM 386 C ASP A 26 -5.657 -14.496 -1.660 1.00 0.00 C ATOM 387 O ASP A 26 -6.166 -15.518 -1.219 1.00 0.00 O ATOM 388 CB ASP A 26 -3.242 -14.545 -0.985 1.00 0.00 C ATOM 389 CG ASP A 26 -3.188 -15.907 -0.345 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.768 -16.869 -1.026 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.522 -16.020 0.847 1.00 0.00 O ATOM 0 H ASP A 26 -3.519 -12.526 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.062 -15.340 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.245 -14.273 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.530 -13.808 -0.235 1.00 0.00 H new ATOM 396 N GLY A 27 -6.309 -13.345 -1.750 1.00 0.00 N ATOM 397 CA GLY A 27 -7.700 -13.232 -1.325 1.00 0.00 C ATOM 398 C GLY A 27 -7.841 -12.690 0.087 1.00 0.00 C ATOM 399 O GLY A 27 -8.927 -12.691 0.661 1.00 0.00 O ATOM 0 H GLY A 27 -5.902 -12.482 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.234 -12.579 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.174 -14.212 -1.382 1.00 0.00 H new ATOM 403 N SER A 28 -6.743 -12.228 0.646 1.00 0.00 N ATOM 404 CA SER A 28 -6.731 -11.695 1.989 1.00 0.00 C ATOM 405 C SER A 28 -6.684 -10.195 1.926 1.00 0.00 C ATOM 406 O SER A 28 -6.226 -9.622 0.944 1.00 0.00 O ATOM 407 CB SER A 28 -5.523 -12.233 2.760 1.00 0.00 C ATOM 408 OG SER A 28 -5.463 -11.717 4.079 1.00 0.00 O ATOM 0 H SER A 28 -5.835 -12.212 0.182 1.00 0.00 H new ATOM 0 HA SER A 28 -7.636 -12.005 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.572 -13.321 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.608 -11.974 2.227 1.00 0.00 H new ATOM 0 HG SER A 28 -4.680 -12.085 4.539 1.00 0.00 H new ATOM 414 N VAL A 29 -7.151 -9.551 2.954 1.00 0.00 N ATOM 415 CA VAL A 29 -7.157 -8.112 2.974 1.00 0.00 C ATOM 416 C VAL A 29 -6.716 -7.573 4.331 1.00 0.00 C ATOM 417 O VAL A 29 -7.185 -8.012 5.386 1.00 0.00 O ATOM 418 CB VAL A 29 -8.548 -7.538 2.589 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.571 -7.814 3.672 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.466 -6.046 2.295 1.00 0.00 C ATOM 0 H VAL A 29 -7.533 -9.994 3.790 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.438 -7.781 2.224 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.872 -8.044 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.535 -7.401 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.666 -8.890 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.249 -7.350 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.455 -5.673 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.106 -5.520 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.779 -5.876 1.466 1.00 0.00 H new ATOM 430 N VAL A 30 -5.794 -6.646 4.304 1.00 0.00 N ATOM 431 CA VAL A 30 -5.306 -6.026 5.517 1.00 0.00 C ATOM 432 C VAL A 30 -5.936 -4.652 5.699 1.00 0.00 C ATOM 433 O VAL A 30 -6.054 -3.882 4.745 1.00 0.00 O ATOM 434 CB VAL A 30 -3.762 -5.893 5.493 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.253 -5.172 6.732 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.118 -7.261 5.377 1.00 0.00 C ATOM 0 H VAL A 30 -5.360 -6.299 3.449 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.586 -6.665 6.355 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.488 -5.299 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.167 -5.094 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.687 -4.173 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.540 -5.732 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.034 -7.152 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.409 -7.874 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.448 -7.742 4.456 1.00 0.00 H new ATOM 446 N GLN A 31 -6.365 -4.355 6.915 1.00 0.00 N ATOM 447 CA GLN A 31 -6.969 -3.077 7.234 1.00 0.00 C ATOM 448 C GLN A 31 -6.009 -2.260 8.086 1.00 0.00 C ATOM 449 O GLN A 31 -5.497 -2.737 9.093 1.00 0.00 O ATOM 450 CB GLN A 31 -8.265 -3.302 7.977 1.00 0.00 C ATOM 451 CG GLN A 31 -9.073 -4.445 7.400 1.00 0.00 C ATOM 452 CD GLN A 31 -10.414 -4.597 8.051 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.561 -5.309 9.041 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.402 -3.936 7.501 1.00 0.00 N ATOM 0 H GLN A 31 -6.303 -4.995 7.707 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.179 -2.531 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.048 -3.507 9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.860 -2.389 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.210 -4.283 6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.512 -5.373 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.233 -3.356 6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.341 -4.001 7.895 1.00 0.00 H new ATOM 463 N PHE A 32 -5.766 -1.039 7.683 1.00 0.00 N ATOM 464 CA PHE A 32 -4.780 -0.190 8.342 1.00 0.00 C ATOM 465 C PHE A 32 -5.134 1.281 8.210 1.00 0.00 C ATOM 466 O PHE A 32 -6.032 1.652 7.470 1.00 0.00 O ATOM 467 CB PHE A 32 -3.382 -0.448 7.771 1.00 0.00 C ATOM 468 CG PHE A 32 -3.318 -0.323 6.274 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.884 -1.295 5.461 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.716 0.768 5.681 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.849 -1.179 4.098 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.681 0.890 4.319 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.248 -0.083 3.522 1.00 0.00 C ATOM 0 H PHE A 32 -6.238 -0.598 6.894 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.784 -0.444 9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.679 0.255 8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.058 -1.448 8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.359 -2.155 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.268 1.533 6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.291 -1.944 3.477 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.209 1.750 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.220 0.015 2.447 1.00 0.00 H new ATOM 483 N LYS A 33 -4.427 2.116 8.945 1.00 0.00 N ATOM 484 CA LYS A 33 -4.690 3.543 8.937 1.00 0.00 C ATOM 485 C LYS A 33 -3.501 4.311 8.367 1.00 0.00 C ATOM 486 O LYS A 33 -2.349 3.999 8.666 1.00 0.00 O ATOM 487 CB LYS A 33 -5.001 4.021 10.351 1.00 0.00 C ATOM 488 CG LYS A 33 -5.987 3.130 11.081 1.00 0.00 C ATOM 489 CD LYS A 33 -6.422 3.728 12.410 1.00 0.00 C ATOM 490 CE LYS A 33 -5.251 3.861 13.373 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.624 2.541 13.679 1.00 0.00 N ATOM 0 H LYS A 33 -3.663 1.831 9.558 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.553 3.733 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.074 4.071 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.402 5.034 10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.863 2.968 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.534 2.154 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.868 4.708 12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.193 3.100 12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.502 4.527 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.594 4.322 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.998 2.637 14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.367 1.844 13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.069 2.222 12.859 1.00 0.00 H new ATOM 505 N ILE A 34 -3.777 5.311 7.540 1.00 0.00 N ATOM 506 CA ILE A 34 -2.728 6.119 6.935 1.00 0.00 C ATOM 507 C ILE A 34 -3.191 7.577 6.777 1.00 0.00 C ATOM 508 O ILE A 34 -4.392 7.857 6.614 1.00 0.00 O ATOM 509 CB ILE A 34 -2.292 5.536 5.555 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.144 6.356 4.947 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.471 5.472 4.599 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.578 5.773 3.669 1.00 0.00 C ATOM 0 H ILE A 34 -4.723 5.582 7.272 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.865 6.096 7.600 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.930 4.521 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.500 7.367 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.343 6.440 5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.143 5.062 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.247 4.833 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.870 6.475 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.227 6.410 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.189 4.774 3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.364 5.715 2.916 1.00 0.00 H new ATOM 524 N LYS A 35 -2.254 8.512 6.852 1.00 0.00 N ATOM 525 CA LYS A 35 -2.580 9.919 6.723 1.00 0.00 C ATOM 526 C LYS A 35 -2.656 10.309 5.268 1.00 0.00 C ATOM 527 O LYS A 35 -2.101 9.639 4.405 1.00 0.00 O ATOM 528 CB LYS A 35 -1.559 10.792 7.449 1.00 0.00 C ATOM 529 CG LYS A 35 -1.195 10.286 8.830 1.00 0.00 C ATOM 530 CD LYS A 35 -0.636 11.400 9.711 1.00 0.00 C ATOM 531 CE LYS A 35 0.641 11.989 9.133 1.00 0.00 C ATOM 532 NZ LYS A 35 1.107 13.165 9.902 1.00 0.00 N ATOM 0 H LYS A 35 -1.264 8.318 7.001 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.554 10.081 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.654 10.855 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.956 11.804 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.077 9.856 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.458 9.487 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.383 12.187 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.437 11.009 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.421 11.228 9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.470 12.278 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.980 13.536 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.374 13.902 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.295 12.884 10.885 1.00 0.00 H new ATOM 546 N ARG A 36 -3.325 11.406 4.996 1.00 0.00 N ATOM 547 CA ARG A 36 -3.511 11.867 3.632 1.00 0.00 C ATOM 548 C ARG A 36 -2.198 12.351 3.049 1.00 0.00 C ATOM 549 O ARG A 36 -1.909 12.142 1.874 1.00 0.00 O ATOM 550 CB ARG A 36 -4.553 12.991 3.572 1.00 0.00 C ATOM 551 CG ARG A 36 -5.849 12.692 4.313 1.00 0.00 C ATOM 552 CD ARG A 36 -6.372 11.285 4.024 1.00 0.00 C ATOM 553 NE ARG A 36 -6.414 10.968 2.586 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.487 11.134 1.798 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.590 11.693 2.274 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.448 10.743 0.530 1.00 0.00 N ATOM 0 H ARG A 36 -3.754 12.002 5.704 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.872 11.025 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.114 13.899 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.786 13.198 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.686 12.803 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.605 13.424 4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.739 10.557 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.374 11.183 4.442 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.566 10.595 2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.627 12.001 3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.402 11.816 1.669 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.602 10.316 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.264 10.870 -0.068 1.00 0.00 H new ATOM 570 N HIS A 37 -1.381 12.971 3.886 1.00 0.00 N ATOM 571 CA HIS A 37 -0.100 13.513 3.446 1.00 0.00 C ATOM 572 C HIS A 37 1.019 12.513 3.677 1.00 0.00 C ATOM 573 O HIS A 37 2.201 12.812 3.467 1.00 0.00 O ATOM 574 CB HIS A 37 0.215 14.814 4.179 1.00 0.00 C ATOM 575 CG HIS A 37 -0.740 15.929 3.883 1.00 0.00 C ATOM 576 ND1 HIS A 37 -0.764 16.604 2.684 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.713 16.488 4.640 1.00 0.00 C ATOM 578 CE1 HIS A 37 -1.702 17.525 2.714 1.00 0.00 C ATOM 579 NE2 HIS A 37 -2.295 17.476 3.890 1.00 0.00 N ATOM 0 H HIS A 37 -1.581 13.113 4.876 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.175 13.716 2.378 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.213 14.624 5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.223 15.133 3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.981 16.207 5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.945 18.206 1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.062 18.076 4.193 1.00 0.00 H new ATOM 588 N THR A 38 0.655 11.325 4.100 1.00 0.00 N ATOM 589 CA THR A 38 1.616 10.286 4.367 1.00 0.00 C ATOM 590 C THR A 38 1.836 9.438 3.124 1.00 0.00 C ATOM 591 O THR A 38 0.882 9.019 2.477 1.00 0.00 O ATOM 592 CB THR A 38 1.166 9.401 5.557 1.00 0.00 C ATOM 593 OG1 THR A 38 1.311 10.133 6.772 1.00 0.00 O ATOM 594 CG2 THR A 38 1.981 8.120 5.639 1.00 0.00 C ATOM 0 H THR A 38 -0.314 11.054 4.268 1.00 0.00 H new ATOM 0 HA THR A 38 2.560 10.759 4.640 1.00 0.00 H new ATOM 0 HB THR A 38 0.122 9.129 5.402 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.339 9.510 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.638 7.524 6.485 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.856 7.549 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.034 8.367 5.772 1.00 0.00 H new ATOM 602 N PRO A 39 3.102 9.195 2.764 1.00 0.00 N ATOM 603 CA PRO A 39 3.446 8.414 1.578 1.00 0.00 C ATOM 604 C PRO A 39 2.965 6.971 1.674 1.00 0.00 C ATOM 605 O PRO A 39 2.903 6.381 2.762 1.00 0.00 O ATOM 606 CB PRO A 39 4.978 8.459 1.547 1.00 0.00 C ATOM 607 CG PRO A 39 5.376 8.765 2.947 1.00 0.00 C ATOM 608 CD PRO A 39 4.300 9.651 3.489 1.00 0.00 C ATOM 0 HA PRO A 39 2.975 8.816 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.395 7.508 1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.338 9.223 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.466 7.853 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.346 9.262 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.188 9.537 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.510 10.704 3.300 1.00 0.00 H new ATOM 616 N LEU A 40 2.622 6.401 0.531 1.00 0.00 N ATOM 617 CA LEU A 40 2.169 5.022 0.449 1.00 0.00 C ATOM 618 C LEU A 40 3.273 4.048 0.852 1.00 0.00 C ATOM 619 O LEU A 40 3.017 2.882 1.077 1.00 0.00 O ATOM 620 CB LEU A 40 1.680 4.707 -0.968 1.00 0.00 C ATOM 621 CG LEU A 40 0.416 5.436 -1.414 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.232 5.319 -2.914 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.799 4.894 -0.697 1.00 0.00 C ATOM 0 H LEU A 40 2.650 6.882 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 40 1.342 4.901 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.480 4.945 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.502 3.634 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 40 0.528 6.489 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.675 5.845 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.090 5.759 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.148 4.268 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.688 5.429 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.909 3.833 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.677 5.029 0.378 1.00 0.00 H new ATOM 635 N SER A 41 4.505 4.538 0.938 1.00 0.00 N ATOM 636 CA SER A 41 5.650 3.714 1.319 1.00 0.00 C ATOM 637 C SER A 41 5.372 2.913 2.597 1.00 0.00 C ATOM 638 O SER A 41 5.738 1.735 2.703 1.00 0.00 O ATOM 639 CB SER A 41 6.884 4.598 1.500 1.00 0.00 C ATOM 640 OG SER A 41 6.595 5.697 2.346 1.00 0.00 O ATOM 0 H SER A 41 4.739 5.512 0.747 1.00 0.00 H new ATOM 0 HA SER A 41 5.832 2.996 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.699 4.011 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.224 4.960 0.529 1.00 0.00 H new ATOM 0 HG SER A 41 7.398 6.249 2.450 1.00 0.00 H new ATOM 672 N LEU A 43 2.328 2.256 3.646 1.00 0.00 N ATOM 673 CA LEU A 43 1.198 1.414 3.266 1.00 0.00 C ATOM 674 C LEU A 43 1.688 0.116 2.630 1.00 0.00 C ATOM 675 O LEU A 43 1.288 -0.982 3.040 1.00 0.00 O ATOM 676 CB LEU A 43 0.254 2.189 2.306 1.00 0.00 C ATOM 677 CG LEU A 43 -0.831 1.368 1.576 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.013 2.244 1.227 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.275 0.766 0.298 1.00 0.00 C ATOM 0 HA LEU A 43 0.634 1.153 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.242 2.973 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.868 2.684 1.554 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.152 0.570 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.768 1.649 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.439 2.661 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.685 3.055 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.054 0.191 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.067 1.564 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.562 0.110 0.539 1.00 0.00 H new ATOM 691 N MET A 44 2.563 0.235 1.626 1.00 0.00 N ATOM 692 CA MET A 44 3.113 -0.935 0.956 1.00 0.00 C ATOM 693 C MET A 44 3.869 -1.798 1.935 1.00 0.00 C ATOM 694 O MET A 44 3.792 -3.026 1.892 1.00 0.00 O ATOM 695 CB MET A 44 4.036 -0.551 -0.213 1.00 0.00 C ATOM 696 CG MET A 44 3.313 -0.138 -1.487 1.00 0.00 C ATOM 697 SD MET A 44 2.800 1.577 -1.496 1.00 0.00 S ATOM 698 CE MET A 44 2.059 1.692 -3.117 1.00 0.00 C ATOM 0 H MET A 44 2.901 1.127 1.265 1.00 0.00 H new ATOM 0 HA MET A 44 2.271 -1.495 0.549 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.680 0.269 0.105 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.685 -1.397 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.967 -0.317 -2.340 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.436 -0.772 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.915 2.741 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.714 1.222 -3.851 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.095 1.184 -3.113 1.00 0.00 H new ATOM 708 N LYS A 45 4.597 -1.158 2.838 1.00 0.00 N ATOM 709 CA LYS A 45 5.358 -1.880 3.829 1.00 0.00 C ATOM 710 C LYS A 45 4.429 -2.569 4.822 1.00 0.00 C ATOM 711 O LYS A 45 4.627 -3.721 5.148 1.00 0.00 O ATOM 712 CB LYS A 45 6.354 -0.952 4.550 1.00 0.00 C ATOM 713 CG LYS A 45 7.215 -1.653 5.605 1.00 0.00 C ATOM 714 CD LYS A 45 8.012 -2.816 5.018 1.00 0.00 C ATOM 715 CE LYS A 45 9.206 -2.342 4.202 1.00 0.00 C ATOM 716 NZ LYS A 45 10.260 -1.730 5.053 1.00 0.00 N ATOM 0 H LYS A 45 4.672 -0.143 2.900 1.00 0.00 H new ATOM 0 HA LYS A 45 5.937 -2.649 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.009 -0.494 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.800 -0.144 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.901 -0.932 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.576 -2.021 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.359 -3.460 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.359 -3.419 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.627 -3.185 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.872 -1.616 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.144 -1.655 4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.956 -0.782 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.418 -2.325 5.891 1.00 0.00 H new ATOM 730 N ALA A 46 3.386 -1.868 5.265 1.00 0.00 N ATOM 731 CA ALA A 46 2.427 -2.425 6.218 1.00 0.00 C ATOM 732 C ALA A 46 1.861 -3.743 5.707 1.00 0.00 C ATOM 733 O ALA A 46 1.880 -4.759 6.406 1.00 0.00 O ATOM 734 CB ALA A 46 1.300 -1.436 6.485 1.00 0.00 C ATOM 0 H ALA A 46 3.183 -0.910 4.978 1.00 0.00 H new ATOM 0 HA ALA A 46 2.952 -2.615 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.597 -1.869 7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.714 -0.516 6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.782 -1.214 5.552 1.00 0.00 H new ATOM 740 N TYR A 47 1.375 -3.736 4.473 1.00 0.00 N ATOM 741 CA TYR A 47 0.840 -4.940 3.867 1.00 0.00 C ATOM 742 C TYR A 47 1.934 -5.998 3.684 1.00 0.00 C ATOM 743 O TYR A 47 1.710 -7.201 3.907 1.00 0.00 O ATOM 744 CB TYR A 47 0.177 -4.623 2.526 1.00 0.00 C ATOM 745 CG TYR A 47 -0.189 -5.860 1.734 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.385 -6.523 1.958 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.674 -6.367 0.775 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.712 -7.661 1.244 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.356 -7.499 0.056 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.838 -8.146 0.295 1.00 0.00 C ATOM 751 OH TYR A 47 -1.157 -9.282 -0.419 1.00 0.00 O ATOM 0 H TYR A 47 1.342 -2.910 3.876 1.00 0.00 H new ATOM 0 HA TYR A 47 0.084 -5.344 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.723 -4.034 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.851 -4.005 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.072 -6.145 2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.612 -5.866 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.648 -8.167 1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.038 -7.877 -0.691 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.434 -9.487 -1.048 1.00 0.00 H new ATOM 761 N CYS A 48 3.117 -5.549 3.288 1.00 0.00 N ATOM 762 CA CYS A 48 4.254 -6.435 3.061 1.00 0.00 C ATOM 763 C CYS A 48 4.688 -7.122 4.354 1.00 0.00 C ATOM 764 O CYS A 48 5.064 -8.289 4.353 1.00 0.00 O ATOM 765 CB CYS A 48 5.413 -5.638 2.426 1.00 0.00 C ATOM 766 SG CYS A 48 7.075 -6.198 2.845 1.00 0.00 S ATOM 0 H CYS A 48 3.317 -4.564 3.115 1.00 0.00 H new ATOM 0 HA CYS A 48 3.955 -7.223 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.301 -5.672 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.316 -4.594 2.724 1.00 0.00 H new ATOM 0 HG CYS A 48 7.154 -7.485 2.680 1.00 0.00 H new ATOM 772 N GLU A 49 4.600 -6.405 5.457 1.00 0.00 N ATOM 773 CA GLU A 49 4.981 -6.933 6.765 1.00 0.00 C ATOM 774 C GLU A 49 3.964 -7.953 7.256 1.00 0.00 C ATOM 775 O GLU A 49 4.309 -8.934 7.904 1.00 0.00 O ATOM 776 CB GLU A 49 5.091 -5.793 7.772 1.00 0.00 C ATOM 777 CG GLU A 49 6.132 -4.757 7.404 1.00 0.00 C ATOM 778 CD GLU A 49 7.538 -5.168 7.759 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.064 -6.111 7.146 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.135 -4.529 8.648 1.00 0.00 O ATOM 0 H GLU A 49 4.264 -5.442 5.479 1.00 0.00 H new ATOM 0 HA GLU A 49 5.947 -7.428 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.121 -5.305 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.332 -6.206 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.078 -4.563 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.897 -3.821 7.910 1.00 0.00 H new ATOM 787 N ARG A 50 2.700 -7.719 6.944 1.00 0.00 N ATOM 788 CA ARG A 50 1.623 -8.614 7.361 1.00 0.00 C ATOM 789 C ARG A 50 1.692 -9.938 6.632 1.00 0.00 C ATOM 790 O ARG A 50 1.556 -11.002 7.226 1.00 0.00 O ATOM 791 CB ARG A 50 0.267 -7.965 7.119 1.00 0.00 C ATOM 792 CG ARG A 50 0.030 -6.730 7.954 1.00 0.00 C ATOM 793 CD ARG A 50 0.073 -7.055 9.436 1.00 0.00 C ATOM 794 NE ARG A 50 -0.961 -8.023 9.812 1.00 0.00 N ATOM 795 CZ ARG A 50 -0.841 -8.923 10.791 1.00 0.00 C ATOM 796 NH1 ARG A 50 0.261 -8.970 11.535 1.00 0.00 N ATOM 797 NH2 ARG A 50 -1.834 -9.771 11.031 1.00 0.00 N ATOM 0 H ARG A 50 2.389 -6.914 6.401 1.00 0.00 H new ATOM 0 HA ARG A 50 1.747 -8.802 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.182 -7.702 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.517 -8.692 7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.785 -5.980 7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.938 -6.297 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.055 -7.454 9.692 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.059 -6.140 10.013 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.836 -8.008 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.023 -8.315 11.360 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.344 -9.661 12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.684 -9.733 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.747 -10.460 11.778 1.00 0.00 H new ATOM 811 N GLN A 51 1.894 -9.875 5.338 1.00 0.00 N ATOM 812 CA GLN A 51 1.975 -11.083 4.534 1.00 0.00 C ATOM 813 C GLN A 51 3.376 -11.697 4.576 1.00 0.00 C ATOM 814 O GLN A 51 3.553 -12.889 4.316 1.00 0.00 O ATOM 815 CB GLN A 51 1.541 -10.806 3.089 1.00 0.00 C ATOM 816 CG GLN A 51 0.075 -11.146 2.801 1.00 0.00 C ATOM 817 CD GLN A 51 -0.928 -10.343 3.630 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.616 -9.089 3.915 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -1.994 -10.846 3.983 1.00 0.00 N flip ATOM 0 H GLN A 51 2.006 -9.006 4.815 1.00 0.00 H new ATOM 0 HA GLN A 51 1.287 -11.811 4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.709 -9.752 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.176 -11.380 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.125 -10.975 1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.084 -12.208 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.203 -11.816 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.668 -10.293 4.512 1.00 0.00 H new ATOM 828 N GLY A 52 4.373 -10.887 4.911 1.00 0.00 N ATOM 829 CA GLY A 52 5.742 -11.379 5.010 1.00 0.00 C ATOM 830 C GLY A 52 6.446 -11.441 3.667 1.00 0.00 C ATOM 831 O GLY A 52 7.574 -11.923 3.564 1.00 0.00 O ATOM 0 H GLY A 52 4.261 -9.894 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.307 -10.733 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.734 -12.373 5.457 1.00 0.00 H new ATOM 835 N LEU A 53 5.784 -10.957 2.638 1.00 0.00 N ATOM 836 CA LEU A 53 6.326 -10.964 1.288 1.00 0.00 C ATOM 837 C LEU A 53 7.183 -9.724 1.021 1.00 0.00 C ATOM 838 O LEU A 53 7.331 -8.863 1.882 1.00 0.00 O ATOM 839 CB LEU A 53 5.186 -11.094 0.255 1.00 0.00 C ATOM 840 CG LEU A 53 3.974 -10.163 0.443 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.321 -8.730 0.098 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.798 -10.645 -0.390 1.00 0.00 C ATOM 0 H LEU A 53 4.853 -10.546 2.710 1.00 0.00 H new ATOM 0 HA LEU A 53 6.980 -11.831 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.603 -10.915 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.830 -12.124 0.269 1.00 0.00 H new ATOM 0 HG LEU A 53 3.690 -10.192 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.444 -8.099 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.127 -8.385 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.643 -8.674 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.950 -9.975 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.078 -10.653 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.521 -11.653 -0.080 1.00 0.00 H new ATOM 854 N SER A 54 7.759 -9.649 -0.167 1.00 0.00 N ATOM 855 CA SER A 54 8.587 -8.523 -0.555 1.00 0.00 C ATOM 856 C SER A 54 7.770 -7.515 -1.365 1.00 0.00 C ATOM 857 O SER A 54 7.172 -7.861 -2.382 1.00 0.00 O ATOM 858 CB SER A 54 9.779 -9.014 -1.375 1.00 0.00 C ATOM 859 OG SER A 54 10.613 -9.867 -0.608 1.00 0.00 O ATOM 0 H SER A 54 7.665 -10.366 -0.887 1.00 0.00 H new ATOM 0 HA SER A 54 8.953 -8.029 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.422 -9.547 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.356 -8.160 -1.730 1.00 0.00 H new ATOM 0 HG SER A 54 11.367 -10.168 -1.157 1.00 0.00 H new ATOM 865 N MET A 55 7.756 -6.264 -0.911 1.00 0.00 N ATOM 866 CA MET A 55 7.004 -5.185 -1.579 1.00 0.00 C ATOM 867 C MET A 55 7.437 -4.987 -3.036 1.00 0.00 C ATOM 868 O MET A 55 6.655 -4.555 -3.871 1.00 0.00 O ATOM 869 CB MET A 55 7.146 -3.859 -0.809 1.00 0.00 C ATOM 870 CG MET A 55 8.573 -3.537 -0.378 1.00 0.00 C ATOM 871 SD MET A 55 8.853 -1.776 -0.109 1.00 0.00 S ATOM 872 CE MET A 55 7.530 -1.379 1.024 1.00 0.00 C ATOM 0 H MET A 55 8.259 -5.963 -0.076 1.00 0.00 H new ATOM 0 HA MET A 55 5.958 -5.491 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.775 -3.047 -1.434 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.510 -3.896 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.799 -4.079 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.266 -3.896 -1.139 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.860 -0.598 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.664 -1.028 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.259 -2.269 1.592 1.00 0.00 H new ATOM 882 N ARG A 56 8.679 -5.315 -3.340 1.00 0.00 N ATOM 883 CA ARG A 56 9.208 -5.149 -4.694 1.00 0.00 C ATOM 884 C ARG A 56 8.753 -6.280 -5.620 1.00 0.00 C ATOM 885 O ARG A 56 8.954 -6.231 -6.833 1.00 0.00 O ATOM 886 CB ARG A 56 10.728 -5.090 -4.651 1.00 0.00 C ATOM 887 CG ARG A 56 11.384 -6.365 -4.155 1.00 0.00 C ATOM 888 CD ARG A 56 12.876 -6.183 -3.994 1.00 0.00 C ATOM 889 NE ARG A 56 13.195 -5.144 -3.018 1.00 0.00 N ATOM 890 CZ ARG A 56 14.234 -5.186 -2.190 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.080 -6.215 -2.225 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.434 -4.197 -1.330 1.00 0.00 N ATOM 0 H ARG A 56 9.346 -5.699 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 56 8.817 -4.214 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.101 -4.868 -5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.031 -4.264 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.945 -6.656 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.187 -7.176 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.325 -7.126 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.316 -5.924 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 56 12.579 -4.332 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.932 -6.975 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.876 -6.243 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.791 -3.406 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.231 -4.228 -0.694 1.00 0.00 H new ATOM 906 N GLN A 57 8.144 -7.303 -5.046 1.00 0.00 N ATOM 907 CA GLN A 57 7.694 -8.459 -5.817 1.00 0.00 C ATOM 908 C GLN A 57 6.202 -8.397 -6.047 1.00 0.00 C ATOM 909 O GLN A 57 5.604 -9.293 -6.645 1.00 0.00 O ATOM 910 CB GLN A 57 8.056 -9.739 -5.078 1.00 0.00 C ATOM 911 CG GLN A 57 9.529 -9.844 -4.751 1.00 0.00 C ATOM 912 CD GLN A 57 10.389 -10.057 -5.979 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.780 -8.973 -6.620 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.682 -11.188 -6.358 1.00 0.00 N flip ATOM 0 H GLN A 57 7.947 -7.361 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 57 8.191 -8.449 -6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.481 -9.792 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.763 -10.596 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.849 -8.935 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.684 -10.670 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.359 -12.001 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.248 -11.314 -7.197 1.00 0.00 H new ATOM 923 N ILE A 58 5.596 -7.338 -5.574 1.00 0.00 N ATOM 924 CA ILE A 58 4.178 -7.152 -5.706 1.00 0.00 C ATOM 925 C ILE A 58 3.881 -5.777 -6.239 1.00 0.00 C ATOM 926 O ILE A 58 4.769 -4.931 -6.335 1.00 0.00 O ATOM 927 CB ILE A 58 3.446 -7.335 -4.364 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.061 -6.438 -3.302 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.501 -8.779 -3.929 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.230 -6.325 -2.047 1.00 0.00 C ATOM 0 H ILE A 58 6.075 -6.581 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 58 3.819 -7.911 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 58 2.401 -7.052 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.047 -6.823 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.208 -5.442 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.979 -8.893 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.023 -9.405 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.541 -9.084 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.732 -5.669 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.252 -5.911 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.104 -7.313 -1.604 1.00 0.00 H new ATOM 942 N ARG A 59 2.642 -5.544 -6.584 1.00 0.00 N ATOM 943 CA ARG A 59 2.229 -4.265 -7.096 1.00 0.00 C ATOM 944 C ARG A 59 0.885 -3.874 -6.561 1.00 0.00 C ATOM 945 O ARG A 59 0.024 -4.724 -6.306 1.00 0.00 O ATOM 946 CB ARG A 59 2.229 -4.249 -8.620 1.00 0.00 C ATOM 947 CG ARG A 59 3.620 -4.193 -9.223 1.00 0.00 C ATOM 948 CD ARG A 59 4.346 -2.917 -8.823 1.00 0.00 C ATOM 949 NE ARG A 59 3.794 -1.734 -9.477 1.00 0.00 N ATOM 950 CZ ARG A 59 4.400 -0.545 -9.501 1.00 0.00 C ATOM 951 NH1 ARG A 59 5.565 -0.376 -8.882 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.844 0.470 -10.150 1.00 0.00 N ATOM 0 H ARG A 59 1.893 -6.233 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 59 2.956 -3.528 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.719 -5.140 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.656 -3.389 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.195 -5.059 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.550 -4.249 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.286 -2.792 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.402 -3.009 -9.076 1.00 0.00 H new ATOM 0 HE ARG A 59 2.891 -1.821 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.998 -1.156 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.026 0.534 -8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.953 0.342 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.307 1.379 -10.168 1.00 0.00 H new ATOM 966 N PHE A 60 0.709 -2.580 -6.384 1.00 0.00 N ATOM 967 CA PHE A 60 -0.525 -2.027 -5.847 1.00 0.00 C ATOM 968 C PHE A 60 -1.236 -1.210 -6.909 1.00 0.00 C ATOM 969 O PHE A 60 -0.631 -0.343 -7.554 1.00 0.00 O ATOM 970 CB PHE A 60 -0.238 -1.133 -4.627 1.00 0.00 C ATOM 971 CG PHE A 60 0.270 -1.863 -3.410 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.505 -2.495 -3.419 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.486 -1.904 -2.254 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.969 -3.154 -2.297 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.025 -2.563 -1.130 1.00 0.00 C ATOM 976 CZ PHE A 60 1.202 -3.188 -1.154 1.00 0.00 C ATOM 0 H PHE A 60 1.416 -1.879 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.160 -2.857 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.495 -0.379 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.153 -0.604 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.110 -2.472 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.449 -1.415 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.932 -3.642 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.627 -2.588 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.562 -3.705 -0.277 1.00 0.00 H new ATOM 986 N ARG A 61 -2.510 -1.482 -7.112 1.00 0.00 N ATOM 987 CA ARG A 61 -3.290 -0.731 -8.080 1.00 0.00 C ATOM 988 C ARG A 61 -4.628 -0.294 -7.499 1.00 0.00 C ATOM 989 O ARG A 61 -5.317 -1.060 -6.819 1.00 0.00 O ATOM 990 CB ARG A 61 -3.462 -1.526 -9.390 1.00 0.00 C ATOM 991 CG ARG A 61 -4.332 -2.759 -9.279 1.00 0.00 C ATOM 992 CD ARG A 61 -5.762 -2.504 -9.728 1.00 0.00 C ATOM 993 NE ARG A 61 -6.559 -3.732 -9.699 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.803 -3.842 -10.168 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.381 -2.817 -10.778 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.454 -4.989 -10.047 1.00 0.00 N ATOM 0 H ARG A 61 -3.026 -2.213 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.738 0.177 -8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.888 -0.866 -10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.477 -1.826 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.902 -3.559 -9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.335 -3.106 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.220 -1.756 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.760 -2.094 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.132 -4.564 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.874 -1.939 -10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.332 -2.906 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.004 -5.786 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.405 -5.076 -10.405 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.984 0.941 -7.761 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.212 1.526 -7.279 1.00 0.00 C ATOM 1012 C PHE A 62 -6.861 2.306 -8.401 1.00 0.00 C ATOM 1013 O PHE A 62 -6.183 2.987 -9.140 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.915 2.461 -6.101 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.120 3.184 -5.565 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.969 2.569 -4.666 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.397 4.485 -5.960 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -9.071 3.234 -4.169 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.501 5.157 -5.468 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.339 4.530 -4.569 1.00 0.00 C ATOM 0 H PHE A 62 -4.420 1.577 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.886 0.738 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.466 1.880 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.174 3.197 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.768 1.556 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.741 4.980 -6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.726 2.741 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.706 6.168 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.202 5.050 -4.179 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.175 2.181 -8.547 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.923 2.919 -9.592 1.00 0.00 C ATOM 1032 C ASP A 63 -8.438 2.547 -10.975 1.00 0.00 C ATOM 1033 O ASP A 63 -8.501 3.342 -11.909 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.758 4.423 -9.411 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.866 5.220 -10.086 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.055 4.919 -9.840 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.557 6.136 -10.876 1.00 0.00 O ATOM 0 H ASP A 63 -8.756 1.580 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.973 2.646 -9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.744 4.658 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.795 4.731 -9.818 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.966 1.336 -11.129 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.449 0.935 -12.407 1.00 0.00 C ATOM 1044 C GLY A 64 -6.062 1.482 -12.689 1.00 0.00 C ATOM 1045 O GLY A 64 -5.483 1.205 -13.740 1.00 0.00 O ATOM 0 H GLY A 64 -7.930 0.624 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.420 -0.154 -12.455 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.131 1.270 -13.189 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.511 2.248 -11.762 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.193 2.821 -11.956 1.00 0.00 C ATOM 1051 C GLN A 65 -3.239 2.398 -10.848 1.00 0.00 C ATOM 1052 O GLN A 65 -3.618 2.306 -9.685 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.269 4.351 -12.064 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.992 5.021 -10.911 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.148 6.506 -11.114 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.298 7.299 -10.713 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.230 6.888 -11.745 1.00 0.00 N ATOM 0 H GLN A 65 -5.954 2.485 -10.874 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.799 2.437 -12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.257 4.750 -12.124 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.771 4.614 -12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.976 4.568 -10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.443 4.839 -9.987 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.908 6.194 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.394 7.879 -11.922 1.00 0.00 H new ATOM 1066 N PRO A 66 -1.996 2.100 -11.203 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.984 1.695 -10.237 1.00 0.00 C ATOM 1068 C PRO A 66 -0.491 2.873 -9.404 1.00 0.00 C ATOM 1069 O PRO A 66 -0.483 4.019 -9.862 1.00 0.00 O ATOM 1070 CB PRO A 66 0.140 1.153 -11.117 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.004 1.889 -12.402 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.476 2.132 -12.580 1.00 0.00 C ATOM 0 HA PRO A 66 -1.363 0.971 -9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.117 1.329 -10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.046 0.077 -11.263 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.546 2.830 -12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.398 1.307 -13.232 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.670 3.091 -13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.938 1.365 -13.202 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.067 2.595 -8.189 1.00 0.00 N ATOM 1081 CA ILE A 67 0.434 3.633 -7.305 1.00 0.00 C ATOM 1082 C ILE A 67 1.768 3.244 -6.721 1.00 0.00 C ATOM 1083 O ILE A 67 1.984 2.099 -6.324 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.550 4.018 -6.153 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.072 2.776 -5.386 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.698 4.869 -6.680 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.243 2.072 -6.045 1.00 0.00 C ATOM 0 H ILE A 67 -0.058 1.657 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 67 0.543 4.517 -7.933 1.00 0.00 H new ATOM 0 HB ILE A 67 0.013 4.615 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.254 2.065 -5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.368 3.083 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.369 5.124 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.301 5.783 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.247 4.310 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.541 1.216 -5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.081 2.764 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.950 1.730 -7.037 1.00 0.00 H new ATOM 1099 N ASN A 68 2.669 4.188 -6.700 1.00 0.00 N ATOM 1100 CA ASN A 68 3.993 3.984 -6.157 1.00 0.00 C ATOM 1101 C ASN A 68 4.054 4.451 -4.720 1.00 0.00 C ATOM 1102 O ASN A 68 3.297 5.321 -4.303 1.00 0.00 O ATOM 1103 CB ASN A 68 5.043 4.724 -6.998 1.00 0.00 C ATOM 1104 CG ASN A 68 4.467 5.934 -7.700 1.00 0.00 C ATOM 1105 OD1 ASN A 68 4.039 5.852 -8.852 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.438 7.049 -7.021 1.00 0.00 N ATOM 0 H ASN A 68 2.508 5.128 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 68 4.213 2.917 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.866 5.037 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.459 4.041 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.051 7.893 -7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.803 7.076 -6.069 1.00 0.00 H new ATOM 1113 N GLU A 69 4.972 3.877 -3.968 1.00 0.00 N ATOM 1114 CA GLU A 69 5.165 4.199 -2.553 1.00 0.00 C ATOM 1115 C GLU A 69 5.494 5.683 -2.330 1.00 0.00 C ATOM 1116 O GLU A 69 5.316 6.215 -1.235 1.00 0.00 O ATOM 1117 CB GLU A 69 6.284 3.330 -1.987 1.00 0.00 C ATOM 1118 CG GLU A 69 7.438 3.132 -2.956 1.00 0.00 C ATOM 1119 CD GLU A 69 8.665 2.542 -2.307 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.627 1.374 -1.901 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.684 3.252 -2.216 1.00 0.00 O ATOM 0 H GLU A 69 5.615 3.166 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 69 4.227 3.996 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.661 3.786 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.876 2.357 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.115 2.480 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.697 4.092 -3.403 1.00 0.00 H new ATOM 1128 N THR A 70 5.964 6.344 -3.366 1.00 0.00 N ATOM 1129 CA THR A 70 6.337 7.742 -3.279 1.00 0.00 C ATOM 1130 C THR A 70 5.108 8.656 -3.370 1.00 0.00 C ATOM 1131 O THR A 70 5.185 9.865 -3.114 1.00 0.00 O ATOM 1132 CB THR A 70 7.333 8.093 -4.393 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.755 7.781 -5.664 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.611 7.289 -4.224 1.00 0.00 C ATOM 0 H THR A 70 6.098 5.931 -4.289 1.00 0.00 H new ATOM 0 HA THR A 70 6.807 7.903 -2.309 1.00 0.00 H new ATOM 0 HB THR A 70 7.564 9.157 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.390 8.006 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.310 7.546 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.060 7.519 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.381 6.225 -4.273 1.00 0.00 H new ATOM 1142 N ASP A 71 3.973 8.076 -3.719 1.00 0.00 N ATOM 1143 CA ASP A 71 2.737 8.835 -3.835 1.00 0.00 C ATOM 1144 C ASP A 71 1.950 8.779 -2.543 1.00 0.00 C ATOM 1145 O ASP A 71 2.227 7.960 -1.670 1.00 0.00 O ATOM 1146 CB ASP A 71 1.882 8.344 -5.006 1.00 0.00 C ATOM 1147 CG ASP A 71 1.995 9.251 -6.218 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.611 10.439 -6.119 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.460 8.792 -7.277 1.00 0.00 O ATOM 0 H ASP A 71 3.880 7.082 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 71 3.007 9.872 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.189 7.335 -5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.839 8.286 -4.693 1.00 0.00 H new ATOM 1154 N THR A 72 0.988 9.662 -2.405 1.00 0.00 N ATOM 1155 CA THR A 72 0.161 9.722 -1.214 1.00 0.00 C ATOM 1156 C THR A 72 -1.284 9.341 -1.531 1.00 0.00 C ATOM 1157 O THR A 72 -1.736 9.492 -2.669 1.00 0.00 O ATOM 1158 CB THR A 72 0.185 11.138 -0.616 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.019 12.106 -1.659 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.508 11.407 0.082 1.00 0.00 C ATOM 0 H THR A 72 0.754 10.359 -3.112 1.00 0.00 H new ATOM 0 HA THR A 72 0.567 9.012 -0.494 1.00 0.00 H new ATOM 0 HB THR A 72 -0.615 11.217 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.005 13.008 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.502 12.415 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.649 10.684 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.323 11.315 -0.636 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.042 8.855 -0.526 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.452 8.492 -0.705 1.00 0.00 C ATOM 1170 C PRO A 73 -4.324 9.717 -1.000 1.00 0.00 C ATOM 1171 O PRO A 73 -5.512 9.601 -1.313 1.00 0.00 O ATOM 1172 CB PRO A 73 -3.840 7.870 0.644 1.00 0.00 C ATOM 1173 CG PRO A 73 -2.861 8.423 1.614 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.582 8.605 0.856 1.00 0.00 C ATOM 0 HA PRO A 73 -3.598 7.820 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.861 8.131 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.788 6.782 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.210 9.371 2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.722 7.745 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.999 9.441 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.949 7.720 0.916 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.738 10.895 -0.893 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.446 12.128 -1.174 1.00 0.00 C ATOM 1184 C ALA A 74 -4.203 12.569 -2.603 1.00 0.00 C ATOM 1185 O ALA A 74 -4.936 13.388 -3.142 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.020 13.220 -0.211 1.00 0.00 C ATOM 0 H ALA A 74 -2.766 11.023 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.512 11.944 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.563 14.138 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.241 12.911 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.949 13.397 -0.312 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.175 12.010 -3.228 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.824 12.378 -4.590 1.00 0.00 C ATOM 1194 C GLN A 75 -3.886 11.890 -5.564 1.00 0.00 C ATOM 1195 O GLN A 75 -4.278 12.594 -6.487 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.465 11.793 -4.963 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.747 12.571 -6.048 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.344 13.964 -5.594 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.052 14.112 -4.310 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 -0.282 14.897 -6.392 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.571 11.301 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.769 13.465 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.836 11.761 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.600 10.764 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.142 12.021 -6.357 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.393 12.650 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.514 14.745 -7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.002 15.823 -6.073 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.374 10.689 -5.332 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.391 10.099 -6.183 1.00 0.00 C ATOM 1211 C LEU A 76 -6.760 10.249 -5.545 1.00 0.00 C ATOM 1212 O LEU A 76 -7.776 9.847 -6.105 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.076 8.611 -6.534 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.392 7.728 -5.453 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -2.908 8.066 -5.305 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.100 7.843 -4.116 1.00 0.00 C ATOM 0 H LEU A 76 -4.081 10.097 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.392 10.641 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.013 8.129 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.440 8.606 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.468 6.694 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.464 7.428 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.401 7.900 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.800 9.111 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.597 7.213 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.078 8.880 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.135 7.519 -4.223 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.764 10.850 -4.357 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.977 11.134 -3.603 1.00 0.00 C ATOM 1230 C GLU A 77 -8.821 9.886 -3.340 1.00 0.00 C ATOM 1231 O GLU A 77 -9.972 9.795 -3.768 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.798 12.214 -4.306 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.079 13.548 -4.405 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.820 14.545 -5.255 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.905 14.994 -4.840 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.315 14.893 -6.340 1.00 0.00 O ATOM 0 H GLU A 77 -5.912 11.156 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.666 11.503 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.053 11.871 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.736 12.354 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.944 13.959 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.084 13.390 -4.821 1.00 0.00 H new ATOM 1243 N MET A 78 -8.244 8.914 -2.650 1.00 0.00 N ATOM 1244 CA MET A 78 -8.990 7.718 -2.270 1.00 0.00 C ATOM 1245 C MET A 78 -9.851 8.003 -1.046 1.00 0.00 C ATOM 1246 O MET A 78 -9.648 9.007 -0.354 1.00 0.00 O ATOM 1247 CB MET A 78 -8.061 6.525 -2.018 1.00 0.00 C ATOM 1248 CG MET A 78 -6.911 6.818 -1.080 1.00 0.00 C ATOM 1249 SD MET A 78 -5.855 5.383 -0.789 1.00 0.00 S ATOM 1250 CE MET A 78 -5.656 4.741 -2.448 1.00 0.00 C ATOM 0 H MET A 78 -7.271 8.926 -2.343 1.00 0.00 H new ATOM 0 HA MET A 78 -9.640 7.450 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.648 5.703 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.659 6.185 -2.972 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.309 7.627 -1.494 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.307 7.170 -0.127 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.688 4.248 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.449 4.023 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.710 5.561 -3.164 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.794 7.130 -0.769 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.745 7.354 0.315 1.00 0.00 C ATOM 1262 C GLU A 79 -11.382 6.570 1.571 1.00 0.00 C ATOM 1263 O GLU A 79 -10.497 5.709 1.553 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.146 6.974 -0.143 1.00 0.00 C ATOM 1265 CG GLU A 79 -13.315 5.503 -0.445 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.717 5.153 -0.870 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.575 4.955 0.018 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -14.971 5.064 -2.089 1.00 0.00 O ATOM 0 H GLU A 79 -10.929 6.255 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.710 8.413 0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.860 7.260 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.394 7.549 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.619 5.216 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -13.052 4.922 0.439 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.066 6.878 2.676 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.857 6.163 3.925 1.00 0.00 C ATOM 1277 C ASP A 80 -12.297 4.729 3.775 1.00 0.00 C ATOM 1278 O ASP A 80 -13.366 4.446 3.223 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.658 6.771 5.093 1.00 0.00 C ATOM 1280 CG ASP A 80 -12.420 8.240 5.341 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -12.619 9.050 4.413 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -12.087 8.600 6.491 1.00 0.00 O ATOM 0 H ASP A 80 -12.767 7.617 2.725 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.793 6.236 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.720 6.619 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.416 6.222 6.003 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.457 3.823 4.234 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.749 2.396 4.261 1.00 0.00 C ATOM 1289 C GLU A 81 -11.790 1.807 2.862 1.00 0.00 C ATOM 1290 O GLU A 81 -12.333 0.722 2.646 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.050 2.118 5.026 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.022 2.637 6.456 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.267 2.290 7.232 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.467 1.101 7.547 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.038 3.204 7.561 1.00 0.00 O ATOM 0 H GLU A 81 -10.536 4.057 4.606 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.936 1.901 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.883 2.579 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.235 1.044 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.153 2.225 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.899 3.720 6.442 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.201 2.520 1.903 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.123 2.037 0.533 1.00 0.00 C ATOM 1304 C ASP A 82 -10.196 0.824 0.461 1.00 0.00 C ATOM 1305 O ASP A 82 -9.560 0.454 1.449 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.601 3.130 -0.389 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.216 3.056 -1.771 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.449 1.928 -2.270 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.471 4.116 -2.367 1.00 0.00 O ATOM 0 H ASP A 82 -10.772 3.433 2.053 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.124 1.751 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.814 4.105 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.517 3.047 -0.471 1.00 0.00 H new ATOM 1314 N THR A 83 -10.101 0.204 -0.692 1.00 0.00 N ATOM 1315 CA THR A 83 -9.272 -0.971 -0.845 1.00 0.00 C ATOM 1316 C THR A 83 -8.406 -0.868 -2.102 1.00 0.00 C ATOM 1317 O THR A 83 -8.787 -0.235 -3.087 1.00 0.00 O ATOM 1318 CB THR A 83 -10.132 -2.249 -0.913 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.297 -2.085 -0.091 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.345 -3.454 -0.417 1.00 0.00 C ATOM 0 H THR A 83 -10.588 0.494 -1.540 1.00 0.00 H new ATOM 0 HA THR A 83 -8.623 -1.030 0.028 1.00 0.00 H new ATOM 0 HB THR A 83 -10.421 -2.416 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.845 -2.896 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.970 -4.345 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.460 -3.592 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.040 -3.289 0.617 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.244 -1.495 -2.065 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.306 -1.484 -3.173 1.00 0.00 C ATOM 1330 C ILE A 84 -6.024 -2.923 -3.592 1.00 0.00 C ATOM 1331 O ILE A 84 -6.023 -3.826 -2.755 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.960 -0.763 -2.791 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.163 0.751 -2.652 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.862 -1.047 -3.802 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.854 1.171 -1.381 1.00 0.00 C ATOM 0 H ILE A 84 -6.922 -2.030 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.751 -0.928 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.648 -1.166 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.191 1.242 -2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.744 1.107 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.949 -0.531 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.675 -2.120 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.172 -0.693 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.957 2.256 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.842 0.712 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.264 0.849 -0.523 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.810 -3.148 -4.879 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.555 -4.488 -5.380 1.00 0.00 C ATOM 1349 C ASP A 85 -4.081 -4.760 -5.427 1.00 0.00 C ATOM 1350 O ASP A 85 -3.295 -3.930 -5.895 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.122 -4.641 -6.770 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.040 -6.050 -7.302 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.504 -6.983 -6.618 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.543 -6.227 -8.433 1.00 0.00 O ATOM 0 H ASP A 85 -5.808 -2.421 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.034 -5.198 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.165 -4.323 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.588 -3.974 -7.447 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.695 -5.905 -4.942 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.320 -6.309 -4.962 1.00 0.00 C ATOM 1361 C VAL A 86 -2.152 -7.572 -5.750 1.00 0.00 C ATOM 1362 O VAL A 86 -2.940 -8.514 -5.640 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.741 -6.480 -3.532 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.556 -7.445 -3.513 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.313 -5.141 -3.005 1.00 0.00 C ATOM 0 H VAL A 86 -4.327 -6.586 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.757 -5.512 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.522 -6.901 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.179 -7.538 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.877 -8.423 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.234 -7.063 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.906 -5.258 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.550 -4.720 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.172 -4.471 -2.972 1.00 0.00 H new ATOM 1375 N PHE A 87 -1.130 -7.597 -6.546 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.818 -8.742 -7.355 1.00 0.00 C ATOM 1377 C PHE A 87 0.668 -8.995 -7.321 1.00 0.00 C ATOM 1378 O PHE A 87 1.462 -8.064 -7.188 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.331 -8.568 -8.798 1.00 0.00 C ATOM 1380 CG PHE A 87 -1.117 -7.195 -9.381 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.897 -6.127 -8.963 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -0.152 -6.977 -10.345 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.715 -4.873 -9.488 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.034 -5.719 -10.880 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.750 -4.662 -10.450 1.00 0.00 C ATOM 0 H PHE A 87 -0.480 -6.818 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.329 -9.613 -6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.836 -9.300 -9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.397 -8.795 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.658 -6.285 -8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.462 -7.799 -10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.327 -4.051 -9.148 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.791 -5.559 -11.634 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.606 -3.676 -10.866 1.00 0.00 H new ATOM 1395 N GLN A 88 1.057 -10.245 -7.419 1.00 0.00 N ATOM 1396 CA GLN A 88 2.456 -10.587 -7.361 1.00 0.00 C ATOM 1397 C GLN A 88 2.933 -10.978 -8.730 1.00 0.00 C ATOM 1398 O GLN A 88 2.504 -11.993 -9.280 1.00 0.00 O ATOM 1399 CB GLN A 88 2.719 -11.732 -6.377 1.00 0.00 C ATOM 1400 CG GLN A 88 1.936 -11.643 -5.074 1.00 0.00 C ATOM 1401 CD GLN A 88 2.691 -12.213 -3.886 1.00 0.00 C ATOM 1402 OE1 GLN A 88 3.985 -11.957 -3.823 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 2.101 -12.818 -2.999 1.00 0.00 N flip ATOM 0 H GLN A 88 0.426 -11.038 -7.539 1.00 0.00 H new ATOM 0 HA GLN A 88 3.003 -9.712 -7.009 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.478 -12.676 -6.866 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.784 -11.756 -6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.691 -10.600 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.992 -12.176 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.100 -12.997 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.610 -13.142 -2.177 1.00 0.00 H new