USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 48 CYS SG : rot 7:sc= -0.0467 USER MOD Set 1.2: A 55 MET CE :methyl -141:sc= -1.08 (180deg=-1.59) USER MOD Set 2.1: A 41 SER OG : rot -160:sc= -1.26! USER MOD Set 2.2: A 45 LYS NZ :NH3+ -135:sc= 1.34 (180deg=0.172) USER MOD Set 3.1: A 28 SER OG : rot -153:sc= 1.12 USER MOD Set 3.2: A 51 GLN : amide:sc= 0.0808 K(o=1.2,f=-3.1!) USER MOD Single : A 17 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.508 F(o=-1.3!,f=-0.51) USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.19) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.134 F(o=-0.69,f=-0.13) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0607 F(o=-0.83,f=-0.061) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.12) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 177:sc= -1.57 (180deg=-1.66) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0565 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3.5!) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.554 F(o=-1.5!,f=-0.55) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.107 F(o=-2.8!,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -23:sc= 0.884 USER MOD Single : A 72 THR OG1 : rot 141:sc= -0.34 USER MOD Single : A 75 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.38) USER MOD Single : A 78 MET CE :methyl 178:sc= -1.08 (180deg=-1.09) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.347! X(o=-0.35!,f=-0.67) USER MOD Single : A 89 GLN : amide:sc= 0.196 K(o=0.2,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.900 15.468 1.475 1.00 0.00 N ATOM 243 CA HIS A 17 -0.757 14.028 1.434 1.00 0.00 C ATOM 244 C HIS A 17 -2.072 13.350 1.762 1.00 0.00 C ATOM 245 O HIS A 17 -2.920 13.909 2.460 1.00 0.00 O ATOM 246 CB HIS A 17 0.371 13.540 2.378 1.00 0.00 C ATOM 247 CG HIS A 17 0.103 13.729 3.848 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.726 14.688 4.611 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.719 13.058 4.697 1.00 0.00 C ATOM 250 CE1 HIS A 17 0.298 14.605 5.857 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.580 13.626 5.933 1.00 0.00 N ATOM 0 HA HIS A 17 -0.473 13.752 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.547 12.481 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.290 14.066 2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.363 12.229 4.443 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.614 15.234 6.676 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.076 13.338 6.777 1.00 0.00 H new ATOM 260 N ILE A 18 -2.239 12.146 1.273 1.00 0.00 N ATOM 261 CA ILE A 18 -3.454 11.399 1.492 1.00 0.00 C ATOM 262 C ILE A 18 -3.144 10.019 2.051 1.00 0.00 C ATOM 263 O ILE A 18 -1.983 9.601 2.122 1.00 0.00 O ATOM 264 CB ILE A 18 -4.291 11.256 0.195 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.436 10.684 -0.939 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.890 12.599 -0.207 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.222 10.338 -2.187 1.00 0.00 C ATOM 0 H ILE A 18 -1.540 11.657 0.714 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.044 11.961 2.216 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.108 10.561 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.662 11.407 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.928 9.788 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.474 12.478 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.536 12.963 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.089 13.317 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.546 9.939 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.978 9.591 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.708 11.235 -2.571 1.00 0.00 H new ATOM 279 N ASN A 19 -4.177 9.322 2.462 1.00 0.00 N ATOM 280 CA ASN A 19 -4.040 7.987 3.008 1.00 0.00 C ATOM 281 C ASN A 19 -4.550 6.974 2.016 1.00 0.00 C ATOM 282 O ASN A 19 -5.684 7.044 1.579 1.00 0.00 O ATOM 283 CB ASN A 19 -4.821 7.877 4.328 1.00 0.00 C ATOM 284 CG ASN A 19 -4.823 6.472 4.914 1.00 0.00 C ATOM 285 OD1 ASN A 19 -3.832 6.167 5.729 1.00 0.00 O flip ATOM 286 ND2 ASN A 19 -5.712 5.677 4.637 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.138 9.662 2.428 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.987 7.788 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.390 8.565 5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.850 8.194 4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.462 5.951 4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.703 4.741 5.041 1.00 0.00 H new ATOM 293 N LEU A 20 -3.712 6.052 1.638 1.00 0.00 N ATOM 294 CA LEU A 20 -4.109 5.016 0.715 1.00 0.00 C ATOM 295 C LEU A 20 -4.102 3.698 1.435 1.00 0.00 C ATOM 296 O LEU A 20 -3.218 3.432 2.253 1.00 0.00 O ATOM 297 CB LEU A 20 -3.184 4.957 -0.516 1.00 0.00 C ATOM 298 CG LEU A 20 -3.170 6.195 -1.437 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.579 6.625 -1.800 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.414 7.338 -0.796 1.00 0.00 C ATOM 0 H LEU A 20 -2.744 5.992 1.954 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.111 5.242 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.166 4.781 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.470 4.092 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.655 5.917 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.537 7.499 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.085 5.811 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.129 6.874 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.419 8.198 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.892 7.608 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.385 7.032 -0.606 1.00 0.00 H new ATOM 312 N LYS A 21 -5.078 2.878 1.170 1.00 0.00 N ATOM 313 CA LYS A 21 -5.174 1.601 1.822 1.00 0.00 C ATOM 314 C LYS A 21 -5.254 0.515 0.793 1.00 0.00 C ATOM 315 O LYS A 21 -5.910 0.657 -0.216 1.00 0.00 O ATOM 316 CB LYS A 21 -6.392 1.558 2.746 1.00 0.00 C ATOM 317 CG LYS A 21 -6.417 2.694 3.753 1.00 0.00 C ATOM 318 CD LYS A 21 -7.596 2.590 4.705 1.00 0.00 C ATOM 319 CE LYS A 21 -8.922 2.672 3.971 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.062 2.792 4.910 1.00 0.00 N ATOM 0 H LYS A 21 -5.824 3.072 0.502 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.284 1.447 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.299 1.595 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.402 0.607 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.489 2.691 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.462 3.646 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.540 1.648 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.539 3.390 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.913 3.530 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.051 1.783 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.906 2.354 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.830 2.310 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.252 3.797 5.099 1.00 0.00 H new ATOM 334 N VAL A 22 -4.609 -0.580 1.052 1.00 0.00 N ATOM 335 CA VAL A 22 -4.574 -1.660 0.096 1.00 0.00 C ATOM 336 C VAL A 22 -5.158 -2.910 0.704 1.00 0.00 C ATOM 337 O VAL A 22 -4.783 -3.307 1.805 1.00 0.00 O ATOM 338 CB VAL A 22 -3.145 -1.954 -0.391 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.127 -3.117 -1.332 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.499 -0.743 -1.011 1.00 0.00 C ATOM 0 H VAL A 22 -4.097 -0.756 1.916 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.168 -1.348 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.554 -2.218 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.105 -3.303 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.512 -4.002 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.752 -2.895 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.491 -0.997 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.089 -0.414 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.449 0.059 -0.275 1.00 0.00 H new ATOM 350 N ALA A 23 -6.073 -3.535 -0.010 1.00 0.00 N ATOM 351 CA ALA A 23 -6.720 -4.736 0.460 1.00 0.00 C ATOM 352 C ALA A 23 -6.387 -5.902 -0.448 1.00 0.00 C ATOM 353 O ALA A 23 -6.610 -5.854 -1.661 1.00 0.00 O ATOM 354 CB ALA A 23 -8.224 -4.532 0.533 1.00 0.00 C ATOM 0 H ALA A 23 -6.386 -3.223 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.353 -4.961 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.698 -5.446 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.448 -3.716 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.606 -4.287 -0.458 1.00 0.00 H new ATOM 360 N GLY A 24 -5.846 -6.946 0.125 1.00 0.00 N ATOM 361 CA GLY A 24 -5.522 -8.101 -0.646 1.00 0.00 C ATOM 362 C GLY A 24 -6.612 -9.121 -0.566 1.00 0.00 C ATOM 363 O GLY A 24 -7.411 -9.100 0.365 1.00 0.00 O ATOM 0 H GLY A 24 -5.624 -7.013 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.362 -7.816 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.588 -8.533 -0.286 1.00 0.00 H new ATOM 367 N GLN A 25 -6.658 -10.019 -1.539 1.00 0.00 N ATOM 368 CA GLN A 25 -7.655 -11.099 -1.580 1.00 0.00 C ATOM 369 C GLN A 25 -7.709 -11.925 -0.273 1.00 0.00 C ATOM 370 O GLN A 25 -8.671 -12.650 -0.021 1.00 0.00 O ATOM 371 CB GLN A 25 -7.416 -12.011 -2.800 1.00 0.00 C ATOM 372 CG GLN A 25 -5.943 -12.266 -3.165 1.00 0.00 C ATOM 373 CD GLN A 25 -5.143 -12.941 -2.062 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.420 -12.149 -1.282 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -5.141 -14.162 -1.944 1.00 0.00 N flip ATOM 0 H GLN A 25 -6.009 -10.027 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.630 -10.622 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.896 -12.971 -2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.914 -11.570 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.903 -12.886 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.471 -11.316 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.712 -14.735 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.568 -14.604 -1.225 1.00 0.00 H new ATOM 384 N ASP A 26 -6.680 -11.805 0.552 1.00 0.00 N ATOM 385 CA ASP A 26 -6.621 -12.507 1.829 1.00 0.00 C ATOM 386 C ASP A 26 -7.524 -11.837 2.859 1.00 0.00 C ATOM 387 O ASP A 26 -7.968 -12.458 3.820 1.00 0.00 O ATOM 388 CB ASP A 26 -5.174 -12.521 2.343 1.00 0.00 C ATOM 389 CG ASP A 26 -5.046 -13.111 3.734 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.060 -14.348 3.859 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.924 -12.336 4.706 1.00 0.00 O ATOM 0 H ASP A 26 -5.866 -11.222 0.359 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.968 -13.529 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.554 -13.094 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.786 -11.502 2.349 1.00 0.00 H new ATOM 396 N GLY A 27 -7.825 -10.575 2.636 1.00 0.00 N ATOM 397 CA GLY A 27 -8.628 -9.827 3.576 1.00 0.00 C ATOM 398 C GLY A 27 -7.763 -8.972 4.462 1.00 0.00 C ATOM 399 O GLY A 27 -8.223 -8.406 5.455 1.00 0.00 O ATOM 0 H GLY A 27 -7.526 -10.049 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.336 -9.198 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.214 -10.514 4.187 1.00 0.00 H new ATOM 403 N SER A 28 -6.494 -8.887 4.113 1.00 0.00 N ATOM 404 CA SER A 28 -5.543 -8.102 4.857 1.00 0.00 C ATOM 405 C SER A 28 -5.385 -6.732 4.209 1.00 0.00 C ATOM 406 O SER A 28 -5.116 -6.625 3.007 1.00 0.00 O ATOM 407 CB SER A 28 -4.201 -8.832 4.912 1.00 0.00 C ATOM 408 OG SER A 28 -3.248 -8.125 5.688 1.00 0.00 O ATOM 0 H SER A 28 -6.098 -9.363 3.303 1.00 0.00 H new ATOM 0 HA SER A 28 -5.904 -7.963 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.346 -9.827 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.818 -8.966 3.900 1.00 0.00 H new ATOM 0 HG SER A 28 -2.345 -8.349 5.381 1.00 0.00 H new ATOM 414 N VAL A 29 -5.589 -5.686 4.988 1.00 0.00 N ATOM 415 CA VAL A 29 -5.490 -4.325 4.485 1.00 0.00 C ATOM 416 C VAL A 29 -4.380 -3.558 5.200 1.00 0.00 C ATOM 417 O VAL A 29 -4.191 -3.694 6.407 1.00 0.00 O ATOM 418 CB VAL A 29 -6.823 -3.556 4.680 1.00 0.00 C ATOM 419 CG1 VAL A 29 -6.815 -2.223 3.943 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.017 -4.404 4.260 1.00 0.00 C ATOM 0 H VAL A 29 -5.826 -5.752 5.978 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.263 -4.395 3.421 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.920 -3.343 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.765 -1.713 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.002 -1.603 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.672 -2.398 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.936 -3.837 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.921 -4.671 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.049 -5.311 4.863 1.00 0.00 H new ATOM 430 N VAL A 30 -3.656 -2.742 4.456 1.00 0.00 N ATOM 431 CA VAL A 30 -2.592 -1.921 5.016 1.00 0.00 C ATOM 432 C VAL A 30 -2.852 -0.468 4.667 1.00 0.00 C ATOM 433 O VAL A 30 -3.281 -0.165 3.558 1.00 0.00 O ATOM 434 CB VAL A 30 -1.202 -2.314 4.485 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.118 -1.601 5.281 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.009 -3.819 4.533 1.00 0.00 C ATOM 0 H VAL A 30 -3.786 -2.628 3.451 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.593 -2.077 6.095 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.128 -2.004 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.862 -1.886 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.246 -0.523 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.193 -1.883 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.019 -4.071 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.101 -4.165 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.768 -4.303 3.918 1.00 0.00 H new ATOM 446 N GLN A 31 -2.630 0.431 5.610 1.00 0.00 N ATOM 447 CA GLN A 31 -2.856 1.847 5.369 1.00 0.00 C ATOM 448 C GLN A 31 -1.528 2.592 5.262 1.00 0.00 C ATOM 449 O GLN A 31 -0.574 2.287 5.982 1.00 0.00 O ATOM 450 CB GLN A 31 -3.711 2.470 6.482 1.00 0.00 C ATOM 451 CG GLN A 31 -5.019 1.740 6.790 1.00 0.00 C ATOM 452 CD GLN A 31 -4.868 0.658 7.850 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.677 -0.573 7.423 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -4.953 0.932 9.044 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.295 0.208 6.547 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.395 1.939 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.115 2.513 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.945 3.498 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.762 2.465 7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.401 1.291 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.101 1.898 9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.875 0.194 9.743 1.00 0.00 H new ATOM 463 N PHE A 32 -1.464 3.569 4.364 1.00 0.00 N ATOM 464 CA PHE A 32 -0.237 4.333 4.138 1.00 0.00 C ATOM 465 C PHE A 32 -0.539 5.825 4.056 1.00 0.00 C ATOM 466 O PHE A 32 -1.628 6.229 3.655 1.00 0.00 O ATOM 467 CB PHE A 32 0.430 3.896 2.828 1.00 0.00 C ATOM 468 CG PHE A 32 0.533 2.407 2.646 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.528 1.689 2.115 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.687 1.727 2.996 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.442 0.329 1.940 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.779 0.361 2.821 1.00 0.00 C ATOM 473 CZ PHE A 32 0.710 -0.337 2.291 1.00 0.00 C ATOM 0 H PHE A 32 -2.249 3.853 3.778 1.00 0.00 H new ATOM 0 HA PHE A 32 0.433 4.142 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.132 4.313 1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.431 4.325 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.434 2.206 1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.523 2.271 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.278 -0.217 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.683 -0.161 3.097 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.779 -1.406 2.152 1.00 0.00 H new ATOM 509 N ILE A 34 0.981 8.963 2.201 1.00 0.00 N ATOM 510 CA ILE A 34 1.938 9.481 1.229 1.00 0.00 C ATOM 511 C ILE A 34 1.367 10.690 0.515 1.00 0.00 C ATOM 512 O ILE A 34 0.172 10.971 0.610 1.00 0.00 O ATOM 513 CB ILE A 34 2.336 8.418 0.165 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.169 8.142 -0.788 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.780 7.127 0.841 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.565 7.367 -2.023 1.00 0.00 C ATOM 0 HA ILE A 34 2.830 9.757 1.791 1.00 0.00 H new ATOM 0 HB ILE A 34 3.170 8.813 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.398 7.587 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.727 9.091 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.055 6.395 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.640 7.328 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.963 6.733 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.688 7.209 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.314 7.929 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.980 6.403 -1.730 1.00 0.00 H new ATOM 528 N LYS A 35 2.210 11.409 -0.202 1.00 0.00 N ATOM 529 CA LYS A 35 1.760 12.566 -0.942 1.00 0.00 C ATOM 530 C LYS A 35 1.053 12.123 -2.210 1.00 0.00 C ATOM 531 O LYS A 35 1.372 11.080 -2.780 1.00 0.00 O ATOM 532 CB LYS A 35 2.934 13.475 -1.297 1.00 0.00 C ATOM 533 CG LYS A 35 3.768 13.901 -0.128 1.00 0.00 C ATOM 534 CD LYS A 35 4.962 14.693 -0.603 1.00 0.00 C ATOM 535 CE LYS A 35 5.944 14.905 0.507 1.00 0.00 C ATOM 536 NZ LYS A 35 7.066 15.791 0.097 1.00 0.00 N ATOM 0 H LYS A 35 3.207 11.211 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 35 1.067 13.127 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.573 12.958 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.550 14.365 -1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.170 14.505 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.101 13.025 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.447 14.168 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.632 15.657 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.433 15.341 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.341 13.942 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.723 15.911 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.571 15.363 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.690 16.719 -0.185 1.00 0.00 H new ATOM 550 N ARG A 36 0.107 12.917 -2.661 1.00 0.00 N ATOM 551 CA ARG A 36 -0.653 12.604 -3.865 1.00 0.00 C ATOM 552 C ARG A 36 0.219 12.714 -5.107 1.00 0.00 C ATOM 553 O ARG A 36 -0.087 12.152 -6.151 1.00 0.00 O ATOM 554 CB ARG A 36 -1.831 13.547 -3.999 1.00 0.00 C ATOM 555 CG ARG A 36 -1.438 14.994 -3.887 1.00 0.00 C ATOM 556 CD ARG A 36 -2.489 15.885 -4.462 1.00 0.00 C ATOM 557 NE ARG A 36 -2.118 17.286 -4.343 1.00 0.00 N ATOM 558 CZ ARG A 36 -2.761 18.295 -4.932 1.00 0.00 C ATOM 559 NH1 ARG A 36 -3.765 18.051 -5.769 1.00 0.00 N ATOM 560 NH2 ARG A 36 -2.395 19.548 -4.689 1.00 0.00 N ATOM 0 H ARG A 36 -0.161 13.793 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.010 11.578 -3.776 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.315 13.381 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.566 13.315 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.274 15.249 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.494 15.158 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.645 15.636 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.435 15.712 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.307 17.513 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.046 17.090 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.255 18.825 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.622 19.739 -4.052 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.887 20.320 -5.140 1.00 0.00 H new ATOM 574 N HIS A 37 1.330 13.404 -4.979 1.00 0.00 N ATOM 575 CA HIS A 37 2.217 13.641 -6.099 1.00 0.00 C ATOM 576 C HIS A 37 3.422 12.713 -5.979 1.00 0.00 C ATOM 577 O HIS A 37 4.322 12.689 -6.821 1.00 0.00 O ATOM 578 CB HIS A 37 2.645 15.111 -6.090 1.00 0.00 C ATOM 579 CG HIS A 37 3.552 15.498 -7.215 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.889 15.760 -7.047 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.302 15.664 -8.533 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.425 16.066 -8.210 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.483 16.015 -9.128 1.00 0.00 N ATOM 0 H HIS A 37 1.644 13.816 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 37 1.714 13.434 -7.044 1.00 0.00 H new ATOM 0 HB2 HIS A 37 1.753 15.737 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.146 15.325 -5.146 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.348 15.542 -9.025 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.461 16.316 -8.382 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.612 16.206 -10.122 1.00 0.00 H new ATOM 592 N THR A 38 3.412 11.949 -4.922 1.00 0.00 N ATOM 593 CA THR A 38 4.442 11.002 -4.616 1.00 0.00 C ATOM 594 C THR A 38 4.104 9.631 -5.213 1.00 0.00 C ATOM 595 O THR A 38 2.956 9.204 -5.163 1.00 0.00 O ATOM 596 CB THR A 38 4.573 10.911 -3.085 1.00 0.00 C ATOM 597 OG1 THR A 38 5.379 11.986 -2.601 1.00 0.00 O ATOM 598 CG2 THR A 38 5.130 9.582 -2.624 1.00 0.00 C ATOM 0 H THR A 38 2.663 11.971 -4.230 1.00 0.00 H new ATOM 0 HA THR A 38 5.388 11.326 -5.050 1.00 0.00 H new ATOM 0 HB THR A 38 3.569 10.990 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.457 11.923 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.200 9.575 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.470 8.778 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.121 9.435 -3.053 1.00 0.00 H new ATOM 606 N PRO A 39 5.100 8.929 -5.798 1.00 0.00 N ATOM 607 CA PRO A 39 4.888 7.614 -6.409 1.00 0.00 C ATOM 608 C PRO A 39 4.324 6.603 -5.414 1.00 0.00 C ATOM 609 O PRO A 39 4.944 6.299 -4.387 1.00 0.00 O ATOM 610 CB PRO A 39 6.293 7.189 -6.870 1.00 0.00 C ATOM 611 CG PRO A 39 7.223 8.052 -6.089 1.00 0.00 C ATOM 612 CD PRO A 39 6.504 9.355 -5.901 1.00 0.00 C ATOM 0 HA PRO A 39 4.162 7.657 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.472 6.132 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.420 7.338 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.467 7.597 -5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.163 8.197 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.837 9.877 -5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.663 10.031 -6.741 1.00 0.00 H new ATOM 620 N LEU A 40 3.150 6.076 -5.720 1.00 0.00 N ATOM 621 CA LEU A 40 2.478 5.110 -4.851 1.00 0.00 C ATOM 622 C LEU A 40 3.247 3.795 -4.783 1.00 0.00 C ATOM 623 O LEU A 40 3.002 2.958 -3.917 1.00 0.00 O ATOM 624 CB LEU A 40 1.017 4.885 -5.266 1.00 0.00 C ATOM 625 CG LEU A 40 0.736 3.988 -6.480 1.00 0.00 C ATOM 626 CD1 LEU A 40 -0.751 3.947 -6.755 1.00 0.00 C ATOM 627 CD2 LEU A 40 1.492 4.443 -7.713 1.00 0.00 C ATOM 0 H LEU A 40 2.634 6.300 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 40 2.463 5.536 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.490 4.462 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.573 5.861 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 40 1.089 2.985 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.944 3.309 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.271 3.547 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.111 4.955 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.262 3.779 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.195 5.460 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.563 4.417 -7.513 1.00 0.00 H new ATOM 639 N SER A 41 4.161 3.610 -5.726 1.00 0.00 N ATOM 640 CA SER A 41 5.024 2.433 -5.780 1.00 0.00 C ATOM 641 C SER A 41 5.681 2.170 -4.434 1.00 0.00 C ATOM 642 O SER A 41 5.911 1.017 -4.059 1.00 0.00 O ATOM 643 CB SER A 41 6.106 2.632 -6.835 1.00 0.00 C ATOM 644 OG SER A 41 6.990 1.524 -6.897 1.00 0.00 O ATOM 0 H SER A 41 4.327 4.276 -6.481 1.00 0.00 H new ATOM 0 HA SER A 41 4.404 1.574 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.641 2.781 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.671 3.536 -6.610 1.00 0.00 H new ATOM 0 HG SER A 41 7.827 1.797 -7.328 1.00 0.00 H new ATOM 650 N LYS A 42 5.971 3.239 -3.694 1.00 0.00 N ATOM 651 CA LYS A 42 6.586 3.104 -2.392 1.00 0.00 C ATOM 652 C LYS A 42 5.689 2.300 -1.466 1.00 0.00 C ATOM 653 O LYS A 42 6.134 1.362 -0.814 1.00 0.00 O ATOM 654 CB LYS A 42 6.877 4.464 -1.775 1.00 0.00 C ATOM 655 CG LYS A 42 7.815 5.328 -2.594 1.00 0.00 C ATOM 656 CD LYS A 42 8.481 6.389 -1.731 1.00 0.00 C ATOM 657 CE LYS A 42 7.465 7.262 -1.015 1.00 0.00 C ATOM 658 NZ LYS A 42 8.114 8.175 -0.046 1.00 0.00 N ATOM 0 H LYS A 42 5.788 4.201 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 42 7.532 2.578 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.936 4.997 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.308 4.317 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.577 4.702 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.261 5.807 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.126 5.906 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.120 7.014 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.906 7.845 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.745 6.630 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.390 8.755 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.626 7.617 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.782 8.795 -0.547 1.00 0.00 H new ATOM 672 N LEU A 43 4.406 2.649 -1.434 1.00 0.00 N ATOM 673 CA LEU A 43 3.461 1.959 -0.578 1.00 0.00 C ATOM 674 C LEU A 43 3.161 0.573 -1.126 1.00 0.00 C ATOM 675 O LEU A 43 2.970 -0.374 -0.368 1.00 0.00 O ATOM 676 CB LEU A 43 2.161 2.782 -0.385 1.00 0.00 C ATOM 677 CG LEU A 43 1.132 2.769 -1.534 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.231 1.538 -1.461 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.293 4.029 -1.507 1.00 0.00 C ATOM 0 H LEU A 43 4.003 3.403 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 43 3.918 1.846 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.664 2.420 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.444 3.818 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 43 1.684 2.729 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.482 1.560 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.840 0.637 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.308 1.538 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.428 4.004 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.238 4.093 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.940 4.899 -1.620 1.00 0.00 H new ATOM 691 N MET A 44 3.116 0.446 -2.456 1.00 0.00 N ATOM 692 CA MET A 44 2.850 -0.844 -3.070 1.00 0.00 C ATOM 693 C MET A 44 3.944 -1.844 -2.724 1.00 0.00 C ATOM 694 O MET A 44 3.666 -2.970 -2.308 1.00 0.00 O ATOM 695 CB MET A 44 2.689 -0.725 -4.585 1.00 0.00 C ATOM 696 CG MET A 44 1.506 0.132 -5.010 1.00 0.00 C ATOM 697 SD MET A 44 1.051 -0.112 -6.737 1.00 0.00 S ATOM 698 CE MET A 44 2.557 0.366 -7.566 1.00 0.00 C ATOM 0 H MET A 44 3.259 1.212 -3.114 1.00 0.00 H new ATOM 0 HA MET A 44 1.906 -1.210 -2.665 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.602 -0.303 -5.006 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.574 -1.723 -5.009 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.649 -0.100 -4.377 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.747 1.182 -4.848 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.445 0.216 -8.640 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.764 1.417 -7.366 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.383 -0.243 -7.199 1.00 0.00 H new ATOM 708 N LYS A 45 5.198 -1.434 -2.876 1.00 0.00 N ATOM 709 CA LYS A 45 6.309 -2.300 -2.531 1.00 0.00 C ATOM 710 C LYS A 45 6.344 -2.542 -1.033 1.00 0.00 C ATOM 711 O LYS A 45 6.652 -3.638 -0.574 1.00 0.00 O ATOM 712 CB LYS A 45 7.635 -1.727 -3.025 1.00 0.00 C ATOM 713 CG LYS A 45 7.747 -1.738 -4.535 1.00 0.00 C ATOM 714 CD LYS A 45 9.186 -1.638 -4.998 1.00 0.00 C ATOM 715 CE LYS A 45 9.291 -1.935 -6.482 1.00 0.00 C ATOM 716 NZ LYS A 45 8.719 -0.849 -7.317 1.00 0.00 N ATOM 0 H LYS A 45 5.465 -0.516 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 45 6.161 -3.257 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.742 -0.704 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.457 -2.303 -2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.304 -2.654 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.175 -0.907 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.571 -0.639 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.804 -2.339 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.338 -2.081 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.773 -2.869 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.128 -1.262 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.138 -0.224 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.490 -0.299 -7.747 1.00 0.00 H new ATOM 730 N ALA A 46 5.982 -1.522 -0.269 1.00 0.00 N ATOM 731 CA ALA A 46 5.936 -1.624 1.173 1.00 0.00 C ATOM 732 C ALA A 46 4.889 -2.644 1.597 1.00 0.00 C ATOM 733 O ALA A 46 5.074 -3.369 2.579 1.00 0.00 O ATOM 734 CB ALA A 46 5.634 -0.266 1.788 1.00 0.00 C ATOM 0 H ALA A 46 5.714 -0.608 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 46 6.910 -1.958 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.602 -0.357 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.413 0.442 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.670 0.091 1.426 1.00 0.00 H new ATOM 740 N TYR A 47 3.788 -2.714 0.849 1.00 0.00 N ATOM 741 CA TYR A 47 2.726 -3.660 1.129 1.00 0.00 C ATOM 742 C TYR A 47 3.221 -5.084 0.979 1.00 0.00 C ATOM 743 O TYR A 47 3.112 -5.884 1.902 1.00 0.00 O ATOM 744 CB TYR A 47 1.528 -3.422 0.196 1.00 0.00 C ATOM 745 CG TYR A 47 0.433 -4.479 0.297 1.00 0.00 C ATOM 746 CD1 TYR A 47 0.479 -5.631 -0.479 1.00 0.00 C ATOM 747 CD2 TYR A 47 -0.641 -4.320 1.161 1.00 0.00 C ATOM 748 CE1 TYR A 47 -0.507 -6.591 -0.401 1.00 0.00 C ATOM 749 CE2 TYR A 47 -1.641 -5.279 1.248 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.566 -6.412 0.463 1.00 0.00 C ATOM 751 OH TYR A 47 -2.548 -7.375 0.546 1.00 0.00 O ATOM 0 H TYR A 47 3.615 -2.118 0.039 1.00 0.00 H new ATOM 0 HA TYR A 47 2.405 -3.508 2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.097 -2.446 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.886 -3.384 -0.833 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.306 -5.777 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.700 -3.435 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.450 -7.479 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.471 -5.140 1.925 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.223 -7.099 1.201 1.00 0.00 H new ATOM 761 N CYS A 48 3.791 -5.407 -0.178 1.00 0.00 N ATOM 762 CA CYS A 48 4.235 -6.765 -0.440 1.00 0.00 C ATOM 763 C CYS A 48 5.353 -7.175 0.510 1.00 0.00 C ATOM 764 O CYS A 48 5.397 -8.307 0.972 1.00 0.00 O ATOM 765 CB CYS A 48 4.663 -6.937 -1.909 1.00 0.00 C ATOM 766 SG CYS A 48 5.942 -5.789 -2.475 1.00 0.00 S ATOM 0 H CYS A 48 3.954 -4.750 -0.941 1.00 0.00 H new ATOM 0 HA CYS A 48 3.389 -7.429 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.023 -7.956 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.784 -6.819 -2.543 1.00 0.00 H new ATOM 0 HG CYS A 48 6.387 -5.103 -1.465 1.00 0.00 H new ATOM 772 N GLU A 49 6.229 -6.238 0.845 1.00 0.00 N ATOM 773 CA GLU A 49 7.342 -6.530 1.730 1.00 0.00 C ATOM 774 C GLU A 49 6.868 -6.859 3.141 1.00 0.00 C ATOM 775 O GLU A 49 7.360 -7.796 3.767 1.00 0.00 O ATOM 776 CB GLU A 49 8.336 -5.375 1.759 1.00 0.00 C ATOM 777 CG GLU A 49 9.085 -5.187 0.457 1.00 0.00 C ATOM 778 CD GLU A 49 10.254 -4.250 0.597 1.00 0.00 C ATOM 779 OE1 GLU A 49 10.045 -3.068 0.959 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.395 -4.687 0.348 1.00 0.00 O ATOM 0 H GLU A 49 6.189 -5.273 0.517 1.00 0.00 H new ATOM 0 HA GLU A 49 7.846 -7.411 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.804 -4.454 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.055 -5.545 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.439 -6.155 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.402 -4.801 -0.299 1.00 0.00 H new ATOM 787 N ARG A 50 5.895 -6.110 3.642 1.00 0.00 N ATOM 788 CA ARG A 50 5.395 -6.340 4.994 1.00 0.00 C ATOM 789 C ARG A 50 4.430 -7.527 5.021 1.00 0.00 C ATOM 790 O ARG A 50 4.269 -8.198 6.044 1.00 0.00 O ATOM 791 CB ARG A 50 4.718 -5.077 5.549 1.00 0.00 C ATOM 792 CG ARG A 50 3.356 -4.773 4.941 1.00 0.00 C ATOM 793 CD ARG A 50 2.836 -3.409 5.369 1.00 0.00 C ATOM 794 NE ARG A 50 2.933 -3.190 6.817 1.00 0.00 N ATOM 795 CZ ARG A 50 3.541 -2.133 7.384 1.00 0.00 C ATOM 796 NH1 ARG A 50 4.175 -1.240 6.629 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.533 -1.985 8.701 1.00 0.00 N ATOM 0 H ARG A 50 5.440 -5.347 3.141 1.00 0.00 H new ATOM 0 HA ARG A 50 6.246 -6.578 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.605 -5.185 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.375 -4.224 5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.427 -4.810 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.645 -5.543 5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.398 -2.632 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.795 -3.309 5.060 1.00 0.00 H new ATOM 0 HE ARG A 50 2.512 -3.885 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.201 -1.356 5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.635 -0.440 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.064 -2.674 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.995 -1.182 9.127 1.00 0.00 H new ATOM 811 N GLN A 51 3.779 -7.783 3.892 1.00 0.00 N ATOM 812 CA GLN A 51 2.839 -8.882 3.785 1.00 0.00 C ATOM 813 C GLN A 51 3.529 -10.198 3.477 1.00 0.00 C ATOM 814 O GLN A 51 2.982 -11.266 3.735 1.00 0.00 O ATOM 815 CB GLN A 51 1.775 -8.586 2.740 1.00 0.00 C ATOM 816 CG GLN A 51 0.730 -7.599 3.213 1.00 0.00 C ATOM 817 CD GLN A 51 -0.083 -8.144 4.368 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.112 -8.775 4.169 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.379 -7.916 5.583 1.00 0.00 N ATOM 0 H GLN A 51 3.889 -7.239 3.036 1.00 0.00 H new ATOM 0 HA GLN A 51 2.359 -8.984 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.255 -8.194 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.284 -9.517 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.218 -6.673 3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.064 -7.351 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.241 -7.386 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.126 -8.270 6.395 1.00 0.00 H new ATOM 828 N GLY A 52 4.738 -10.140 2.945 1.00 0.00 N ATOM 829 CA GLY A 52 5.453 -11.353 2.625 1.00 0.00 C ATOM 830 C GLY A 52 5.263 -11.785 1.183 1.00 0.00 C ATOM 831 O GLY A 52 5.710 -12.857 0.780 1.00 0.00 O ATOM 0 H GLY A 52 5.236 -9.276 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.515 -11.205 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.118 -12.152 3.286 1.00 0.00 H new ATOM 835 N LEU A 53 4.614 -10.953 0.389 1.00 0.00 N ATOM 836 CA LEU A 53 4.364 -11.278 -1.009 1.00 0.00 C ATOM 837 C LEU A 53 5.389 -10.620 -1.918 1.00 0.00 C ATOM 838 O LEU A 53 6.222 -9.833 -1.479 1.00 0.00 O ATOM 839 CB LEU A 53 2.947 -10.863 -1.444 1.00 0.00 C ATOM 840 CG LEU A 53 1.775 -11.693 -0.893 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.017 -13.184 -1.079 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.504 -11.363 0.562 1.00 0.00 C ATOM 0 H LEU A 53 4.250 -10.047 0.685 1.00 0.00 H new ATOM 0 HA LEU A 53 4.451 -12.361 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.794 -9.824 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.904 -10.897 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 53 0.887 -11.427 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.171 -13.743 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.129 -13.405 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.925 -13.474 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.670 -11.966 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.392 -11.580 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.255 -10.306 0.655 1.00 0.00 H new ATOM 854 N SER A 54 5.322 -10.945 -3.190 1.00 0.00 N ATOM 855 CA SER A 54 6.221 -10.394 -4.175 1.00 0.00 C ATOM 856 C SER A 54 5.439 -9.746 -5.313 1.00 0.00 C ATOM 857 O SER A 54 4.272 -10.069 -5.531 1.00 0.00 O ATOM 858 CB SER A 54 7.135 -11.493 -4.705 1.00 0.00 C ATOM 859 OG SER A 54 8.153 -11.798 -3.769 1.00 0.00 O ATOM 0 H SER A 54 4.640 -11.601 -3.570 1.00 0.00 H new ATOM 0 HA SER A 54 6.832 -9.622 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.550 -12.388 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.584 -11.176 -5.646 1.00 0.00 H new ATOM 0 HG SER A 54 8.727 -12.507 -4.129 1.00 0.00 H new ATOM 865 N MET A 55 6.084 -8.842 -6.048 1.00 0.00 N ATOM 866 CA MET A 55 5.442 -8.141 -7.168 1.00 0.00 C ATOM 867 C MET A 55 5.025 -9.099 -8.275 1.00 0.00 C ATOM 868 O MET A 55 4.099 -8.833 -9.024 1.00 0.00 O ATOM 869 CB MET A 55 6.357 -7.051 -7.726 1.00 0.00 C ATOM 870 CG MET A 55 6.313 -5.776 -6.917 1.00 0.00 C ATOM 871 SD MET A 55 4.673 -5.034 -6.928 1.00 0.00 S ATOM 872 CE MET A 55 4.832 -3.876 -5.589 1.00 0.00 C ATOM 0 H MET A 55 7.055 -8.574 -5.890 1.00 0.00 H new ATOM 0 HA MET A 55 4.538 -7.674 -6.777 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.381 -7.423 -7.754 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.069 -6.833 -8.754 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.610 -5.987 -5.890 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.036 -5.066 -7.318 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.905 -3.852 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.652 -4.182 -4.939 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.037 -2.883 -5.989 1.00 0.00 H new ATOM 882 N ARG A 56 5.719 -10.213 -8.389 1.00 0.00 N ATOM 883 CA ARG A 56 5.367 -11.223 -9.382 1.00 0.00 C ATOM 884 C ARG A 56 4.290 -12.155 -8.838 1.00 0.00 C ATOM 885 O ARG A 56 3.662 -12.909 -9.576 1.00 0.00 O ATOM 886 CB ARG A 56 6.600 -12.025 -9.859 1.00 0.00 C ATOM 887 CG ARG A 56 7.472 -12.611 -8.751 1.00 0.00 C ATOM 888 CD ARG A 56 8.589 -11.652 -8.352 1.00 0.00 C ATOM 889 NE ARG A 56 9.445 -11.302 -9.486 1.00 0.00 N ATOM 890 CZ ARG A 56 10.445 -10.418 -9.439 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.722 -9.783 -8.307 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.158 -10.165 -10.526 1.00 0.00 N ATOM 0 H ARG A 56 6.527 -10.447 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 56 4.970 -10.700 -10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.257 -12.840 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.218 -11.374 -10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.855 -12.834 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.903 -13.554 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.155 -10.745 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.194 -12.107 -7.568 1.00 0.00 H new ATOM 0 HE ARG A 56 9.265 -11.766 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.170 -9.970 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.486 -9.108 -8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.944 -10.645 -11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.922 -9.490 -10.489 1.00 0.00 H new ATOM 906 N GLN A 57 4.086 -12.096 -7.531 1.00 0.00 N ATOM 907 CA GLN A 57 3.112 -12.936 -6.854 1.00 0.00 C ATOM 908 C GLN A 57 1.758 -12.254 -6.745 1.00 0.00 C ATOM 909 O GLN A 57 0.727 -12.915 -6.640 1.00 0.00 O ATOM 910 CB GLN A 57 3.623 -13.313 -5.458 1.00 0.00 C ATOM 911 CG GLN A 57 4.377 -14.633 -5.405 1.00 0.00 C ATOM 912 CD GLN A 57 5.597 -14.656 -6.295 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.693 -14.324 -5.869 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.408 -15.025 -7.542 1.00 0.00 N ATOM 0 H GLN A 57 4.592 -11.464 -6.910 1.00 0.00 H new ATOM 0 HA GLN A 57 2.982 -13.839 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.277 -12.519 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.775 -13.364 -4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.681 -14.829 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.706 -15.440 -5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.477 -15.295 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.193 -15.041 -8.194 1.00 0.00 H new ATOM 923 N ILE A 58 1.752 -10.937 -6.752 1.00 0.00 N ATOM 924 CA ILE A 58 0.505 -10.189 -6.626 1.00 0.00 C ATOM 925 C ILE A 58 0.451 -9.034 -7.604 1.00 0.00 C ATOM 926 O ILE A 58 1.384 -8.800 -8.360 1.00 0.00 O ATOM 927 CB ILE A 58 0.304 -9.625 -5.192 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.291 -8.478 -4.919 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.460 -10.725 -4.158 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.229 -7.932 -3.508 1.00 0.00 C ATOM 0 H ILE A 58 2.588 -10.360 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.293 -10.898 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.709 -9.229 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.304 -8.829 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.092 -7.667 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.316 -10.310 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.283 -11.502 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.459 -11.154 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.955 -7.127 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.228 -7.548 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.459 -8.728 -2.799 1.00 0.00 H new ATOM 942 N ARG A 59 -0.649 -8.314 -7.578 1.00 0.00 N ATOM 943 CA ARG A 59 -0.831 -7.146 -8.411 1.00 0.00 C ATOM 944 C ARG A 59 -1.827 -6.194 -7.787 1.00 0.00 C ATOM 945 O ARG A 59 -2.825 -6.618 -7.196 1.00 0.00 O ATOM 946 CB ARG A 59 -1.262 -7.525 -9.830 1.00 0.00 C ATOM 947 CG ARG A 59 -0.116 -7.556 -10.833 1.00 0.00 C ATOM 948 CD ARG A 59 0.525 -6.183 -10.969 1.00 0.00 C ATOM 949 NE ARG A 59 1.558 -6.146 -12.004 1.00 0.00 N ATOM 950 CZ ARG A 59 1.901 -5.048 -12.684 1.00 0.00 C ATOM 951 NH1 ARG A 59 1.295 -3.893 -12.436 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.855 -5.102 -13.602 1.00 0.00 N ATOM 0 H ARG A 59 -1.445 -8.523 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 59 0.133 -6.642 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.738 -8.505 -9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.014 -6.814 -10.173 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.633 -8.281 -10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.486 -7.887 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.245 -5.448 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.962 -5.894 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 59 2.048 -7.014 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.566 -3.842 -11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.559 -3.057 -12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.331 -5.984 -13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.114 -4.261 -14.119 1.00 0.00 H new ATOM 966 N PHE A 60 -1.539 -4.908 -7.901 1.00 0.00 N ATOM 967 CA PHE A 60 -2.386 -3.861 -7.361 1.00 0.00 C ATOM 968 C PHE A 60 -3.275 -3.304 -8.462 1.00 0.00 C ATOM 969 O PHE A 60 -2.848 -3.162 -9.614 1.00 0.00 O ATOM 970 CB PHE A 60 -1.530 -2.736 -6.751 1.00 0.00 C ATOM 971 CG PHE A 60 -0.632 -3.189 -5.628 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.492 -3.959 -5.890 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.908 -2.847 -4.309 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.314 -4.379 -4.868 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.083 -3.266 -3.287 1.00 0.00 C ATOM 976 CZ PHE A 60 1.026 -4.033 -3.568 1.00 0.00 C ATOM 0 H PHE A 60 -0.705 -4.560 -8.374 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.010 -4.283 -6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.917 -2.293 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.190 -1.951 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.725 -4.233 -6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.777 -2.247 -4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.184 -4.980 -5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.306 -2.993 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.670 -4.363 -2.767 1.00 0.00 H new ATOM 986 N ARG A 61 -4.498 -2.987 -8.121 1.00 0.00 N ATOM 987 CA ARG A 61 -5.465 -2.508 -9.086 1.00 0.00 C ATOM 988 C ARG A 61 -6.375 -1.449 -8.470 1.00 0.00 C ATOM 989 O ARG A 61 -6.810 -1.572 -7.325 1.00 0.00 O ATOM 990 CB ARG A 61 -6.266 -3.703 -9.599 1.00 0.00 C ATOM 991 CG ARG A 61 -7.485 -3.377 -10.438 1.00 0.00 C ATOM 992 CD ARG A 61 -8.735 -3.879 -9.752 1.00 0.00 C ATOM 993 NE ARG A 61 -9.792 -4.239 -10.698 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.632 -5.266 -10.526 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.500 -6.069 -9.471 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.589 -5.500 -11.416 1.00 0.00 N ATOM 0 H ARG A 61 -4.855 -3.052 -7.168 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.951 -2.031 -9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.601 -4.334 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.588 -4.294 -8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.553 -2.300 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.392 -3.835 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.486 -4.748 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.106 -3.110 -9.074 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.895 -3.672 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.757 -5.901 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.142 -6.851 -9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.685 -4.896 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.228 -6.283 -11.283 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.644 -0.400 -9.227 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.495 0.689 -8.783 1.00 0.00 C ATOM 1012 C PHE A 62 -8.310 1.197 -9.946 1.00 0.00 C ATOM 1013 O PHE A 62 -7.853 1.176 -11.073 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.666 1.829 -8.193 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.497 2.983 -7.703 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.090 2.938 -6.461 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.686 4.108 -8.493 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.859 3.997 -6.007 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.451 5.165 -8.046 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.037 5.109 -6.802 1.00 0.00 C ATOM 0 H PHE A 62 -6.277 -0.279 -10.171 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.159 0.314 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.070 1.444 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.968 2.189 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.954 2.069 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.228 4.157 -9.470 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.319 3.951 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.590 6.035 -8.671 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.636 5.936 -6.449 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.525 1.657 -9.665 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.455 2.149 -10.709 1.00 0.00 C ATOM 1032 C ASP A 63 -10.738 1.040 -11.706 1.00 0.00 C ATOM 1033 O ASP A 63 -11.174 1.267 -12.828 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.817 3.342 -11.437 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.753 4.070 -12.395 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.692 4.743 -11.925 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.534 3.989 -13.621 1.00 0.00 O ATOM 0 H ASP A 63 -9.903 1.705 -8.719 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.390 2.461 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.453 4.052 -10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.949 2.990 -11.994 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.516 -0.172 -11.277 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.714 -1.293 -12.126 1.00 0.00 C ATOM 1044 C GLY A 64 -9.486 -1.600 -12.974 1.00 0.00 C ATOM 1045 O GLY A 64 -9.317 -2.720 -13.452 1.00 0.00 O ATOM 0 H GLY A 64 -10.196 -0.400 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.962 -2.165 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.566 -1.105 -12.779 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.616 -0.613 -13.135 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.424 -0.753 -13.953 1.00 0.00 C ATOM 1051 C GLN A 65 -6.204 -1.130 -13.102 1.00 0.00 C ATOM 1052 O GLN A 65 -6.117 -0.781 -11.925 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.160 0.551 -14.729 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.063 1.777 -13.840 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.834 3.060 -14.600 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.143 3.987 -13.975 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.273 3.216 -15.739 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.718 0.305 -12.702 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.593 -1.561 -14.665 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.233 0.447 -15.293 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.960 0.701 -15.454 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.981 1.868 -13.260 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.249 1.636 -13.129 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.805 2.470 -16.187 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.105 4.091 -16.235 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.261 -1.871 -13.687 1.00 0.00 N ATOM 1067 CA PRO A 66 -4.029 -2.265 -13.007 1.00 0.00 C ATOM 1068 C PRO A 66 -3.134 -1.061 -12.709 1.00 0.00 C ATOM 1069 O PRO A 66 -2.980 -0.163 -13.539 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.321 -3.197 -14.000 1.00 0.00 C ATOM 1071 CG PRO A 66 -4.306 -3.472 -15.090 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.332 -2.374 -15.053 1.00 0.00 C ATOM 0 HA PRO A 66 -4.242 -2.735 -12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.420 -2.729 -14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.011 -4.122 -13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.808 -3.500 -16.059 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.778 -4.444 -14.945 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.106 -1.592 -15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.328 -2.750 -15.289 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.553 -1.037 -11.525 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.664 0.044 -11.131 1.00 0.00 C ATOM 1082 C ILE A 67 -0.228 -0.278 -11.543 1.00 0.00 C ATOM 1083 O ILE A 67 0.158 -1.447 -11.611 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.702 0.263 -9.598 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.136 0.464 -9.112 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.843 1.453 -9.205 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.247 0.634 -7.611 1.00 0.00 C ATOM 0 H ILE A 67 -2.680 -1.757 -10.814 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.003 0.951 -11.632 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.299 -0.630 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.557 1.342 -9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.738 -0.391 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.883 1.590 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.188 1.274 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.217 2.350 -9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.293 0.772 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.856 -0.254 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.672 1.506 -7.300 1.00 0.00 H new ATOM 1099 N ASN A 68 0.567 0.749 -11.819 1.00 0.00 N ATOM 1100 CA ASN A 68 1.957 0.563 -12.175 1.00 0.00 C ATOM 1101 C ASN A 68 2.806 1.287 -11.170 1.00 0.00 C ATOM 1102 O ASN A 68 2.372 2.273 -10.576 1.00 0.00 O ATOM 1103 CB ASN A 68 2.266 1.088 -13.586 1.00 0.00 C ATOM 1104 CG ASN A 68 1.037 1.467 -14.374 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.695 2.735 -14.338 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 0.421 0.632 -15.029 1.00 0.00 N flip ATOM 0 H ASN A 68 0.264 1.723 -11.801 1.00 0.00 H new ATOM 0 HA ASN A 68 2.175 -0.505 -12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.918 1.958 -13.506 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.818 0.325 -14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.723 -0.342 -15.027 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.393 0.912 -15.576 1.00 0.00 H new ATOM 1113 N GLU A 69 4.019 0.827 -10.975 1.00 0.00 N ATOM 1114 CA GLU A 69 4.893 1.429 -9.989 1.00 0.00 C ATOM 1115 C GLU A 69 5.398 2.784 -10.445 1.00 0.00 C ATOM 1116 O GLU A 69 5.858 3.593 -9.648 1.00 0.00 O ATOM 1117 CB GLU A 69 6.068 0.510 -9.662 1.00 0.00 C ATOM 1118 CG GLU A 69 6.878 0.062 -10.864 1.00 0.00 C ATOM 1119 CD GLU A 69 8.194 -0.563 -10.457 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.182 -1.634 -9.820 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.253 0.021 -10.758 1.00 0.00 O ATOM 0 H GLU A 69 4.425 0.041 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 69 4.304 1.575 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.731 1.024 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.689 -0.373 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.299 -0.656 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.068 0.917 -11.513 1.00 0.00 H new ATOM 1128 N THR A 70 5.304 3.042 -11.719 1.00 0.00 N ATOM 1129 CA THR A 70 5.788 4.284 -12.258 1.00 0.00 C ATOM 1130 C THR A 70 4.679 5.334 -12.321 1.00 0.00 C ATOM 1131 O THR A 70 4.865 6.421 -12.876 1.00 0.00 O ATOM 1132 CB THR A 70 6.402 4.065 -13.650 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.923 5.295 -14.176 1.00 0.00 O ATOM 1134 CG2 THR A 70 5.370 3.497 -14.581 1.00 0.00 C ATOM 0 H THR A 70 4.896 2.408 -12.406 1.00 0.00 H new ATOM 0 HA THR A 70 6.563 4.658 -11.589 1.00 0.00 H new ATOM 0 HB THR A 70 7.226 3.358 -13.558 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.474 6.052 -13.744 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.813 3.345 -15.565 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.014 2.543 -14.191 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.533 4.190 -14.663 1.00 0.00 H new ATOM 1142 N ASP A 71 3.525 5.023 -11.747 1.00 0.00 N ATOM 1143 CA ASP A 71 2.414 5.958 -11.765 1.00 0.00 C ATOM 1144 C ASP A 71 2.284 6.693 -10.431 1.00 0.00 C ATOM 1145 O ASP A 71 2.984 6.386 -9.460 1.00 0.00 O ATOM 1146 CB ASP A 71 1.117 5.234 -12.081 1.00 0.00 C ATOM 1147 CG ASP A 71 0.257 6.026 -13.034 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.280 7.059 -12.624 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.137 5.614 -14.211 1.00 0.00 O ATOM 0 H ASP A 71 3.337 4.142 -11.269 1.00 0.00 H new ATOM 0 HA ASP A 71 2.614 6.694 -12.544 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.340 4.260 -12.515 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.566 5.053 -11.158 1.00 0.00 H new ATOM 1154 N THR A 72 1.415 7.684 -10.394 1.00 0.00 N ATOM 1155 CA THR A 72 1.159 8.439 -9.174 1.00 0.00 C ATOM 1156 C THR A 72 -0.324 8.429 -8.798 1.00 0.00 C ATOM 1157 O THR A 72 -1.188 8.377 -9.665 1.00 0.00 O ATOM 1158 CB THR A 72 1.652 9.893 -9.305 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.678 10.277 -10.687 1.00 0.00 O ATOM 1160 CG2 THR A 72 3.032 10.054 -8.696 1.00 0.00 C ATOM 0 H THR A 72 0.869 7.990 -11.199 1.00 0.00 H new ATOM 0 HA THR A 72 1.717 7.946 -8.378 1.00 0.00 H new ATOM 0 HB THR A 72 0.962 10.540 -8.764 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.374 11.205 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.358 11.089 -8.801 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.996 9.790 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.735 9.398 -9.210 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.629 8.507 -7.486 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.009 8.472 -6.980 1.00 0.00 C ATOM 1170 C PRO A 73 -2.862 9.624 -7.513 1.00 0.00 C ATOM 1171 O PRO A 73 -4.074 9.484 -7.712 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.845 8.587 -5.454 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.471 9.118 -5.244 1.00 0.00 C ATOM 1174 CD PRO A 73 0.349 8.642 -6.398 1.00 0.00 C ATOM 0 HA PRO A 73 -2.527 7.567 -7.297 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.594 9.254 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.970 7.618 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.479 10.207 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.057 8.761 -4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.135 9.353 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.837 7.693 -6.178 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.230 10.762 -7.762 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.931 11.931 -8.263 1.00 0.00 C ATOM 1184 C ALA A 74 -3.395 11.726 -9.695 1.00 0.00 C ATOM 1185 O ALA A 74 -4.288 12.425 -10.178 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.047 13.152 -8.168 1.00 0.00 C ATOM 0 H ALA A 74 -1.229 10.899 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.815 12.083 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.585 14.021 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.771 13.321 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.146 12.996 -8.761 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.799 10.765 -10.378 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.170 10.460 -11.745 1.00 0.00 C ATOM 1194 C GLN A 75 -4.536 9.811 -11.796 1.00 0.00 C ATOM 1195 O GLN A 75 -5.335 10.078 -12.691 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.138 9.548 -12.384 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.868 10.250 -12.817 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.141 11.443 -13.710 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -1.272 11.305 -14.926 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.200 12.622 -13.121 1.00 0.00 N ATOM 0 H GLN A 75 -2.052 10.180 -10.004 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.208 11.395 -12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.880 8.759 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.586 9.064 -13.252 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.319 10.579 -11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.228 9.543 -13.345 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.086 12.693 -12.110 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.359 13.462 -13.677 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.818 8.964 -10.822 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.091 8.291 -10.753 1.00 0.00 C ATOM 1211 C LEU A 76 -7.053 9.132 -9.933 1.00 0.00 C ATOM 1212 O LEU A 76 -8.170 8.713 -9.639 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.930 6.903 -10.121 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.666 6.130 -10.527 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.561 6.338 -9.503 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.964 4.651 -10.697 1.00 0.00 C ATOM 0 H LEU A 76 -4.174 8.729 -10.066 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.486 8.162 -11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.933 7.015 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.801 6.302 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.326 6.519 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.674 5.783 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.321 7.399 -9.438 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.896 5.981 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.053 4.127 -10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.335 4.244 -9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.719 4.519 -11.472 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.581 10.341 -9.564 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.319 11.325 -8.749 1.00 0.00 C ATOM 1230 C GLU A 77 -7.994 10.683 -7.541 1.00 0.00 C ATOM 1231 O GLU A 77 -9.048 11.127 -7.078 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.322 12.137 -9.594 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.514 11.360 -10.123 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.476 12.245 -10.871 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -11.079 13.143 -10.244 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -10.638 12.054 -12.090 1.00 0.00 O ATOM 0 H GLU A 77 -5.652 10.667 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.579 12.026 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.691 12.966 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.789 12.571 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.165 10.565 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.032 10.881 -9.292 1.00 0.00 H new ATOM 1243 N MET A 78 -7.347 9.669 -7.002 1.00 0.00 N ATOM 1244 CA MET A 78 -7.864 8.940 -5.864 1.00 0.00 C ATOM 1245 C MET A 78 -7.823 9.812 -4.611 1.00 0.00 C ATOM 1246 O MET A 78 -7.099 10.812 -4.551 1.00 0.00 O ATOM 1247 CB MET A 78 -7.063 7.648 -5.675 1.00 0.00 C ATOM 1248 CG MET A 78 -5.613 7.868 -5.304 1.00 0.00 C ATOM 1249 SD MET A 78 -4.523 6.592 -5.976 1.00 0.00 S ATOM 1250 CE MET A 78 -5.294 5.109 -5.352 1.00 0.00 C ATOM 0 H MET A 78 -6.448 9.328 -7.342 1.00 0.00 H new ATOM 0 HA MET A 78 -8.906 8.674 -6.045 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.539 7.049 -4.898 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.107 7.068 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.292 8.844 -5.669 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.518 7.887 -4.218 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.751 4.236 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.275 5.120 -4.262 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.327 5.063 -5.697 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.595 9.443 -3.617 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.697 10.225 -2.401 1.00 0.00 C ATOM 1262 C GLU A 79 -8.256 9.401 -1.209 1.00 0.00 C ATOM 1263 O GLU A 79 -8.095 8.187 -1.312 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.141 10.688 -2.207 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.105 9.556 -1.881 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.544 9.916 -2.159 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.175 10.567 -1.308 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.052 9.544 -3.230 1.00 0.00 O ATOM 0 H GLU A 79 -9.168 8.599 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.047 11.096 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.173 11.424 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.477 11.191 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.836 8.676 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.999 9.286 -0.830 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.042 10.054 -0.079 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.665 9.366 1.142 1.00 0.00 C ATOM 1277 C ASP A 80 -8.724 8.353 1.565 1.00 0.00 C ATOM 1278 O ASP A 80 -9.926 8.555 1.347 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.394 10.372 2.272 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.532 11.347 2.481 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.664 12.288 1.673 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.293 11.184 3.451 1.00 0.00 O ATOM 0 H ASP A 80 -8.124 11.066 0.017 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.745 8.817 0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.214 9.828 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.484 10.927 2.046 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.245 7.251 2.146 1.00 0.00 N ATOM 1288 CA GLU A 81 -9.060 6.131 2.613 1.00 0.00 C ATOM 1289 C GLU A 81 -9.453 5.222 1.453 1.00 0.00 C ATOM 1290 O GLU A 81 -10.365 4.400 1.567 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.288 6.609 3.395 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.936 7.270 4.713 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.252 6.396 5.907 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.762 5.246 5.965 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -11.000 6.853 6.796 1.00 0.00 O ATOM 0 H GLU A 81 -7.248 7.111 2.309 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.452 5.547 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.850 7.313 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.943 5.759 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.874 7.516 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.482 8.209 4.801 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.753 5.372 0.330 1.00 0.00 N ATOM 1303 CA ASP A 82 -8.990 4.536 -0.854 1.00 0.00 C ATOM 1304 C ASP A 82 -8.670 3.066 -0.566 1.00 0.00 C ATOM 1305 O ASP A 82 -7.830 2.759 0.273 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.143 5.034 -2.035 1.00 0.00 C ATOM 1307 CG ASP A 82 -7.213 3.964 -2.581 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -7.650 3.188 -3.448 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -6.053 3.897 -2.131 1.00 0.00 O ATOM 0 H ASP A 82 -8.014 6.065 0.211 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.046 4.612 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.803 5.377 -2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.554 5.894 -1.717 1.00 0.00 H new ATOM 1314 N THR A 83 -9.392 2.160 -1.209 1.00 0.00 N ATOM 1315 CA THR A 83 -9.126 0.742 -1.075 1.00 0.00 C ATOM 1316 C THR A 83 -8.560 0.142 -2.376 1.00 0.00 C ATOM 1317 O THR A 83 -9.266 0.005 -3.385 1.00 0.00 O ATOM 1318 CB THR A 83 -10.401 -0.010 -0.687 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.044 0.685 0.396 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.074 -1.433 -0.260 1.00 0.00 C ATOM 0 H THR A 83 -10.169 2.387 -1.830 1.00 0.00 H new ATOM 0 HA THR A 83 -8.379 0.630 -0.289 1.00 0.00 H new ATOM 0 HB THR A 83 -11.066 -0.053 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.863 0.210 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.993 -1.952 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.591 -1.958 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.403 -1.410 0.598 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.294 -0.224 -2.331 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.610 -0.828 -3.463 1.00 0.00 C ATOM 1330 C ILE A 84 -6.956 -2.311 -3.558 1.00 0.00 C ATOM 1331 O ILE A 84 -7.040 -3.004 -2.545 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.069 -0.685 -3.333 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.676 0.779 -3.093 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.385 -1.221 -4.585 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.789 1.653 -4.309 1.00 0.00 C ATOM 0 H ILE A 84 -6.706 -0.111 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.941 -0.307 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.740 -1.270 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.308 1.189 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.649 0.813 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.305 -1.116 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.636 -2.274 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.724 -0.657 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.493 2.671 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.136 1.271 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.820 1.652 -4.663 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.159 -2.794 -4.772 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.502 -4.196 -5.003 1.00 0.00 C ATOM 1349 C ASP A 85 -6.260 -4.999 -5.356 1.00 0.00 C ATOM 1350 O ASP A 85 -5.641 -4.779 -6.393 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.520 -4.297 -6.140 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.988 -5.715 -6.409 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.706 -6.282 -5.559 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.670 -6.251 -7.487 1.00 0.00 O ATOM 0 H ASP A 85 -7.093 -2.234 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.933 -4.604 -4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.384 -3.677 -5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.079 -3.890 -7.050 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.874 -5.902 -4.484 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.730 -6.763 -4.738 1.00 0.00 C ATOM 1361 C VAL A 86 -5.170 -8.190 -4.950 1.00 0.00 C ATOM 1362 O VAL A 86 -5.969 -8.740 -4.186 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.682 -6.693 -3.603 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.652 -7.809 -3.730 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.992 -5.363 -3.639 1.00 0.00 C ATOM 0 H VAL A 86 -6.334 -6.064 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.255 -6.397 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.200 -6.817 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.930 -7.732 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.154 -8.775 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.134 -7.719 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.254 -5.314 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.494 -5.237 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.726 -4.569 -3.504 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.617 -8.807 -5.960 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.961 -10.160 -6.311 1.00 0.00 C ATOM 1377 C PHE A 87 -3.701 -10.958 -6.575 1.00 0.00 C ATOM 1378 O PHE A 87 -2.655 -10.392 -6.921 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.914 -10.189 -7.516 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.540 -9.244 -8.629 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.984 -7.929 -8.620 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.753 -9.672 -9.681 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.649 -7.068 -9.638 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.417 -8.808 -10.705 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.864 -7.505 -10.682 1.00 0.00 C ATOM 0 H PHE A 87 -3.913 -8.384 -6.565 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.488 -10.621 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.947 -11.204 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.920 -9.948 -7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.599 -7.578 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.397 -10.692 -9.703 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.002 -6.047 -9.619 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.804 -9.154 -11.524 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.600 -6.828 -11.481 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.776 -12.263 -6.385 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.626 -13.129 -6.554 1.00 0.00 C ATOM 1397 C GLN A 88 -2.366 -13.406 -8.039 1.00 0.00 C ATOM 1398 O GLN A 88 -3.166 -14.044 -8.712 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.863 -14.451 -5.814 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.592 -15.198 -5.434 1.00 0.00 C ATOM 1401 CD GLN A 88 -1.018 -14.740 -4.106 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.371 -15.255 -3.052 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.118 -13.787 -4.151 1.00 0.00 N ATOM 0 H GLN A 88 -4.630 -12.749 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.751 -12.628 -6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.435 -14.248 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.477 -15.099 -6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.804 -16.266 -5.384 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.845 -15.057 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.151 -13.382 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.313 -13.451 -3.290 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.244 -12.924 -8.541 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.850 -13.139 -9.930 1.00 0.00 C ATOM 1414 C GLN A 89 0.279 -14.148 -10.000 1.00 0.00 C ATOM 1415 O GLN A 89 0.994 -14.243 -10.995 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.427 -11.824 -10.580 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.588 -11.017 -11.124 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.256 -11.695 -12.308 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.610 -12.402 -13.075 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.547 -11.486 -12.459 1.00 0.00 N ATOM 0 H GLN A 89 -0.577 -12.372 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.708 -13.530 -10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.111 -11.223 -9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.269 -12.037 -11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.323 -10.864 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.233 -10.031 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.048 -10.891 -11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.046 -11.919 -13.236 1.00 0.00 H new