USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 881 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 74 GLN : amide:sc= -0.13 X(o=-0.13,f=0.085) USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.22) USER MOD Single : A 28 SER OG : rot -48:sc= 0.00856 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 170:sc= 0.499 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.173 F(o=-0.86,f=-0.17) USER MOD Single : A 38 MET CE :methyl 171:sc= -0.617 (180deg=-0.75) USER MOD Single : A 39 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.27) USER MOD Single : A 40 THR OG1 : rot -108:sc= -8.71! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.97! C(o=-3!,f=-5.2!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -140:sc= -3.13! USER MOD Single : A 64 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 65 SER OG : rot 180:sc= 0.175 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : +bothHN:sc= -0.17! C(o=-0.17!,f=-8.3!) USER MOD Single : A 72 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-5.6!) USER MOD Single : A 73 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -53:sc= -1.61! USER MOD Single : A 88 THR OG1 : rot -38:sc= -0.552! USER MOD Single : A 89 SER OG : rot -12:sc= 0.223 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.28! C(o=-3.3!,f=-8.4!) USER MOD Single : A 100 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 102 ASN :FLIP amide:sc= -2.32 F(o=-5.2!,f=-2.3) USER MOD Single : A 103 ASN : amide:sc= -4.52! C(o=-4.5!,f=-17!) USER MOD Single : A 105 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0562 K(o=-0.056,f=-0.83) USER MOD Single : A 107 GLN :FLIP amide:sc= -2.3 F(o=-3.5!,f=-2.3) USER MOD Single : A 113 TYR OH : rot 130:sc= -1.41! USER MOD Single : A 114 GLN : amide:sc= -1.46 K(o=-1.5,f=-6.4!) USER MOD Single : A 115 GLN :FLIP amide:sc= -3.91! C(o=-4.9!,f=-3.9!) USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= -1.28 (180deg=-2.63) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -2.586 16.958 -3.429 1.00 0.00 N ATOM 271 CA LYS A 18 -3.417 16.791 -4.655 1.00 0.00 C ATOM 272 C LYS A 18 -3.532 15.303 -4.992 1.00 0.00 C ATOM 273 O LYS A 18 -4.532 14.845 -5.508 1.00 0.00 O ATOM 274 CB LYS A 18 -2.768 17.540 -5.823 1.00 0.00 C ATOM 275 CG LYS A 18 -1.259 17.288 -5.820 1.00 0.00 C ATOM 276 CD LYS A 18 -0.659 17.751 -7.151 1.00 0.00 C ATOM 277 CE LYS A 18 -0.865 19.260 -7.315 1.00 0.00 C ATOM 278 NZ LYS A 18 0.065 19.776 -8.359 1.00 0.00 N ATOM 0 HA LYS A 18 -4.412 17.199 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.200 17.207 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.969 18.608 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.792 17.823 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.057 16.228 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.404 17.514 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.129 17.218 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.897 19.469 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.684 19.768 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.074 20.801 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.047 19.589 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.129 19.299 -9.263 1.00 0.00 H new ATOM 292 N ASP A 19 -2.506 14.553 -4.716 1.00 0.00 N ATOM 293 CA ASP A 19 -2.524 13.096 -5.024 1.00 0.00 C ATOM 294 C ASP A 19 -3.678 12.391 -4.299 1.00 0.00 C ATOM 295 O ASP A 19 -4.691 12.047 -4.882 1.00 0.00 O ATOM 296 CB ASP A 19 -1.206 12.488 -4.544 1.00 0.00 C ATOM 297 CG ASP A 19 -1.184 10.993 -4.867 1.00 0.00 C ATOM 298 OD1 ASP A 19 -1.260 10.659 -6.038 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.091 10.207 -3.938 1.00 0.00 O ATOM 0 H ASP A 19 -1.645 14.890 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.656 12.965 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.366 12.987 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.093 12.640 -3.471 1.00 0.00 H new ATOM 304 N LEU A 20 -3.505 12.147 -3.026 1.00 0.00 N ATOM 305 CA LEU A 20 -4.554 11.434 -2.246 1.00 0.00 C ATOM 306 C LEU A 20 -5.902 12.152 -2.376 1.00 0.00 C ATOM 307 O LEU A 20 -6.945 11.528 -2.390 1.00 0.00 O ATOM 308 CB LEU A 20 -4.154 11.350 -0.764 1.00 0.00 C ATOM 309 CG LEU A 20 -3.563 12.703 -0.278 1.00 0.00 C ATOM 310 CD1 LEU A 20 -4.045 13.011 1.147 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.025 12.643 -0.281 1.00 0.00 C ATOM 0 H LEU A 20 -2.677 12.413 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.650 10.425 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.024 11.090 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.421 10.556 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.900 13.487 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.624 13.961 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.133 13.073 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.720 12.218 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.623 13.597 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.691 11.848 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.671 12.442 -1.292 1.00 0.00 H new ATOM 323 N GLN A 21 -5.900 13.454 -2.458 1.00 0.00 N ATOM 324 CA GLN A 21 -7.193 14.187 -2.572 1.00 0.00 C ATOM 325 C GLN A 21 -8.052 13.557 -3.674 1.00 0.00 C ATOM 326 O GLN A 21 -9.154 13.112 -3.429 1.00 0.00 O ATOM 327 CB GLN A 21 -6.926 15.662 -2.899 1.00 0.00 C ATOM 328 CG GLN A 21 -8.239 16.365 -3.260 1.00 0.00 C ATOM 329 CD GLN A 21 -8.035 17.881 -3.230 1.00 0.00 C ATOM 330 OE1 GLN A 21 -6.871 18.377 -3.551 1.00 0.00 O flip ATOM 331 NE2 GLN A 21 -8.944 18.622 -2.912 1.00 0.00 N flip ATOM 0 H GLN A 21 -5.065 14.039 -2.451 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.726 14.122 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.463 16.155 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.223 15.738 -3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.570 16.052 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.021 16.079 -2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.854 18.235 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.797 19.631 -2.896 1.00 0.00 H new ATOM 340 N ALA A 22 -7.567 13.526 -4.886 1.00 0.00 N ATOM 341 CA ALA A 22 -8.383 12.935 -5.987 1.00 0.00 C ATOM 342 C ALA A 22 -8.809 11.515 -5.600 1.00 0.00 C ATOM 343 O ALA A 22 -9.908 11.083 -5.898 1.00 0.00 O ATOM 344 CB ALA A 22 -7.577 12.922 -7.289 1.00 0.00 C ATOM 0 H ALA A 22 -6.651 13.880 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.276 13.540 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.181 12.489 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.301 13.942 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.675 12.326 -7.152 1.00 0.00 H new ATOM 350 N ILE A 23 -7.983 10.786 -4.912 1.00 0.00 N ATOM 351 CA ILE A 23 -8.409 9.423 -4.502 1.00 0.00 C ATOM 352 C ILE A 23 -9.559 9.595 -3.500 1.00 0.00 C ATOM 353 O ILE A 23 -10.659 9.115 -3.718 1.00 0.00 O ATOM 354 CB ILE A 23 -7.213 8.680 -3.876 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.311 8.097 -4.999 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.690 7.553 -2.927 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.431 9.203 -5.591 1.00 0.00 C ATOM 0 H ILE A 23 -7.047 11.067 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.749 8.830 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.636 9.391 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.686 7.299 -4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.929 7.655 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.825 7.046 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.291 7.982 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.291 6.836 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.802 8.786 -6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.063 9.986 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.801 9.625 -4.808 1.00 0.00 H new ATOM 369 N LYS A 24 -9.330 10.298 -2.417 1.00 0.00 N ATOM 370 CA LYS A 24 -10.417 10.536 -1.422 1.00 0.00 C ATOM 371 C LYS A 24 -11.729 10.860 -2.146 1.00 0.00 C ATOM 372 O LYS A 24 -12.767 10.323 -1.813 1.00 0.00 O ATOM 373 CB LYS A 24 -10.016 11.716 -0.523 1.00 0.00 C ATOM 374 CG LYS A 24 -10.811 11.672 0.787 1.00 0.00 C ATOM 375 CD LYS A 24 -10.370 12.826 1.691 1.00 0.00 C ATOM 376 CE LYS A 24 -11.150 12.773 3.005 1.00 0.00 C ATOM 377 NZ LYS A 24 -10.830 13.978 3.822 1.00 0.00 N ATOM 0 H LYS A 24 -8.431 10.718 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.563 9.641 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.948 11.675 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.203 12.657 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.879 11.746 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.650 10.719 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.300 12.759 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.543 13.779 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.220 12.731 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.894 11.868 3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.360 13.942 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.810 13.999 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.096 14.835 3.296 1.00 0.00 H new ATOM 391 N GLN A 25 -11.703 11.742 -3.113 1.00 0.00 N ATOM 392 CA GLN A 25 -12.964 12.100 -3.833 1.00 0.00 C ATOM 393 C GLN A 25 -13.769 10.825 -4.138 1.00 0.00 C ATOM 394 O GLN A 25 -14.944 10.686 -3.819 1.00 0.00 O ATOM 395 CB GLN A 25 -12.611 12.770 -5.164 1.00 0.00 C ATOM 396 CG GLN A 25 -11.963 14.129 -4.896 1.00 0.00 C ATOM 397 CD GLN A 25 -13.027 15.114 -4.408 1.00 0.00 C ATOM 398 OE1 GLN A 25 -13.655 15.789 -5.200 1.00 0.00 O ATOM 399 NE2 GLN A 25 -13.259 15.226 -3.129 1.00 0.00 N ATOM 0 H GLN A 25 -10.866 12.229 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.551 12.773 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.930 12.137 -5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.509 12.896 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.176 14.028 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.493 14.505 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.732 14.660 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.967 15.880 -2.794 1.00 0.00 H new ATOM 408 N GLU A 26 -13.089 9.878 -4.742 1.00 0.00 N ATOM 409 CA GLU A 26 -13.725 8.574 -5.094 1.00 0.00 C ATOM 410 C GLU A 26 -14.226 7.891 -3.823 1.00 0.00 C ATOM 411 O GLU A 26 -15.157 7.099 -3.846 1.00 0.00 O ATOM 412 CB GLU A 26 -12.697 7.676 -5.785 1.00 0.00 C ATOM 413 CG GLU A 26 -12.308 8.288 -7.132 1.00 0.00 C ATOM 414 CD GLU A 26 -13.497 8.206 -8.092 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.708 7.143 -8.651 1.00 0.00 O ATOM 416 OE2 GLU A 26 -14.175 9.208 -8.251 1.00 0.00 O ATOM 0 H GLU A 26 -12.108 9.958 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.565 8.749 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.814 7.565 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.111 6.678 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.006 9.327 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.452 7.759 -7.550 1.00 0.00 H new ATOM 423 N VAL A 27 -13.698 8.259 -2.692 1.00 0.00 N ATOM 424 CA VAL A 27 -14.204 7.700 -1.415 1.00 0.00 C ATOM 425 C VAL A 27 -15.107 8.774 -0.829 1.00 0.00 C ATOM 426 O VAL A 27 -15.815 8.557 0.134 1.00 0.00 O ATOM 427 CB VAL A 27 -13.041 7.385 -0.461 1.00 0.00 C ATOM 428 CG1 VAL A 27 -13.460 6.332 0.576 1.00 0.00 C ATOM 429 CG2 VAL A 27 -11.855 6.876 -1.279 1.00 0.00 C ATOM 0 H VAL A 27 -12.933 8.927 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.741 6.764 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.759 8.291 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.622 6.123 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.301 6.709 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.755 5.415 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.023 6.649 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.145 5.974 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.550 7.642 -1.992 1.00 0.00 H new ATOM 439 N SER A 28 -15.157 9.913 -1.478 1.00 0.00 N ATOM 440 CA SER A 28 -16.093 10.979 -1.040 1.00 0.00 C ATOM 441 C SER A 28 -17.363 10.712 -1.842 1.00 0.00 C ATOM 442 O SER A 28 -18.298 11.486 -1.887 1.00 0.00 O ATOM 443 CB SER A 28 -15.527 12.354 -1.411 1.00 0.00 C ATOM 444 OG SER A 28 -16.216 13.356 -0.674 1.00 0.00 O ATOM 0 H SER A 28 -14.587 10.144 -2.292 1.00 0.00 H new ATOM 0 HA SER A 28 -16.262 10.975 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.460 12.393 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.639 12.530 -2.481 1.00 0.00 H new ATOM 0 HG SER A 28 -17.182 13.202 -0.737 1.00 0.00 H new ATOM 450 N GLN A 29 -17.342 9.573 -2.490 1.00 0.00 N ATOM 451 CA GLN A 29 -18.459 9.109 -3.350 1.00 0.00 C ATOM 452 C GLN A 29 -19.123 7.899 -2.695 1.00 0.00 C ATOM 453 O GLN A 29 -20.324 7.723 -2.733 1.00 0.00 O ATOM 454 CB GLN A 29 -17.867 8.648 -4.685 1.00 0.00 C ATOM 455 CG GLN A 29 -19.001 8.386 -5.679 1.00 0.00 C ATOM 456 CD GLN A 29 -18.413 8.000 -7.037 1.00 0.00 C ATOM 457 OE1 GLN A 29 -18.445 6.847 -7.420 1.00 0.00 O ATOM 458 NE2 GLN A 29 -17.874 8.922 -7.788 1.00 0.00 N ATOM 0 H GLN A 29 -16.557 8.923 -2.451 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.183 9.911 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.192 9.408 -5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.278 7.742 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.645 7.588 -5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.623 9.276 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.847 9.890 -7.467 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.480 8.675 -8.696 1.00 0.00 H new ATOM 467 N ALA A 30 -18.309 7.046 -2.103 1.00 0.00 N ATOM 468 CA ALA A 30 -18.837 5.805 -1.441 1.00 0.00 C ATOM 469 C ALA A 30 -18.878 5.966 0.077 1.00 0.00 C ATOM 470 O ALA A 30 -19.100 7.035 0.611 1.00 0.00 O ATOM 471 CB ALA A 30 -17.917 4.624 -1.780 1.00 0.00 C ATOM 0 H ALA A 30 -17.297 7.159 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.849 5.628 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.295 3.720 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.892 4.481 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.910 4.832 -1.418 1.00 0.00 H new ATOM 477 N ALA A 31 -18.641 4.884 0.758 1.00 0.00 N ATOM 478 CA ALA A 31 -18.626 4.875 2.249 1.00 0.00 C ATOM 479 C ALA A 31 -17.153 4.977 2.693 1.00 0.00 C ATOM 480 O ALA A 31 -16.275 4.902 1.858 1.00 0.00 O ATOM 481 CB ALA A 31 -19.266 3.546 2.720 1.00 0.00 C ATOM 0 H ALA A 31 -18.451 3.977 0.332 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.187 5.704 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.269 3.510 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.290 3.485 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.690 2.707 2.331 1.00 0.00 H new ATOM 487 N PRO A 32 -16.906 5.147 3.975 1.00 0.00 N ATOM 488 CA PRO A 32 -15.520 5.254 4.469 1.00 0.00 C ATOM 489 C PRO A 32 -14.769 3.951 4.150 1.00 0.00 C ATOM 490 O PRO A 32 -14.491 3.147 5.018 1.00 0.00 O ATOM 491 CB PRO A 32 -15.659 5.493 5.993 1.00 0.00 C ATOM 492 CG PRO A 32 -17.170 5.372 6.345 1.00 0.00 C ATOM 493 CD PRO A 32 -17.951 5.248 5.017 1.00 0.00 C ATOM 0 HA PRO A 32 -14.951 6.059 4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.075 4.762 6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.279 6.478 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.348 4.501 6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.504 6.245 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -18.596 4.369 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.592 6.114 4.852 1.00 0.00 H new ATOM 501 N GLY A 33 -14.453 3.737 2.895 1.00 0.00 N ATOM 502 CA GLY A 33 -13.733 2.490 2.484 1.00 0.00 C ATOM 503 C GLY A 33 -14.475 1.851 1.308 1.00 0.00 C ATOM 504 O GLY A 33 -14.587 2.421 0.242 1.00 0.00 O ATOM 0 H GLY A 33 -14.665 4.379 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.707 2.724 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.681 1.793 3.320 1.00 0.00 H new ATOM 508 N SER A 34 -14.998 0.676 1.512 1.00 0.00 N ATOM 509 CA SER A 34 -15.761 -0.020 0.440 1.00 0.00 C ATOM 510 C SER A 34 -14.849 -0.255 -0.776 1.00 0.00 C ATOM 511 O SER A 34 -13.778 0.314 -0.848 1.00 0.00 O ATOM 512 CB SER A 34 -16.972 0.851 0.053 1.00 0.00 C ATOM 513 OG SER A 34 -16.893 1.210 -1.322 1.00 0.00 O ATOM 0 H SER A 34 -14.928 0.160 2.389 1.00 0.00 H new ATOM 0 HA SER A 34 -16.113 -0.989 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.897 0.307 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.997 1.749 0.671 1.00 0.00 H new ATOM 0 HG SER A 34 -17.737 1.623 -1.601 1.00 0.00 H new ATOM 519 N PRO A 35 -15.287 -1.087 -1.702 1.00 0.00 N ATOM 520 CA PRO A 35 -14.485 -1.382 -2.902 1.00 0.00 C ATOM 521 C PRO A 35 -14.256 -0.101 -3.735 1.00 0.00 C ATOM 522 O PRO A 35 -13.562 -0.121 -4.731 1.00 0.00 O ATOM 523 CB PRO A 35 -15.315 -2.422 -3.695 1.00 0.00 C ATOM 524 CG PRO A 35 -16.661 -2.620 -2.939 1.00 0.00 C ATOM 525 CD PRO A 35 -16.587 -1.798 -1.633 1.00 0.00 C ATOM 0 HA PRO A 35 -13.495 -1.762 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.494 -2.074 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.775 -3.366 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.498 -2.288 -3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.825 -3.675 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.418 -1.096 -1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.638 -2.444 -0.756 1.00 0.00 H new ATOM 533 N GLN A 36 -14.846 1.006 -3.356 1.00 0.00 N ATOM 534 CA GLN A 36 -14.652 2.256 -4.158 1.00 0.00 C ATOM 535 C GLN A 36 -13.280 2.864 -3.855 1.00 0.00 C ATOM 536 O GLN A 36 -12.569 3.278 -4.749 1.00 0.00 O ATOM 537 CB GLN A 36 -15.746 3.269 -3.831 1.00 0.00 C ATOM 538 CG GLN A 36 -15.742 4.372 -4.894 1.00 0.00 C ATOM 539 CD GLN A 36 -16.313 3.822 -6.203 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.373 3.063 -6.169 1.00 0.00 O flip ATOM 541 NE2 GLN A 36 -15.788 4.087 -7.266 1.00 0.00 N flip ATOM 0 H GLN A 36 -15.446 1.099 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.708 2.003 -5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.718 2.777 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.578 3.698 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.335 5.221 -4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.727 4.736 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.959 4.681 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.176 3.716 -8.133 1.00 0.00 H new ATOM 550 N PHE A 37 -12.869 2.867 -2.616 1.00 0.00 N ATOM 551 CA PHE A 37 -11.522 3.379 -2.267 1.00 0.00 C ATOM 552 C PHE A 37 -10.490 2.402 -2.824 1.00 0.00 C ATOM 553 O PHE A 37 -9.304 2.666 -2.838 1.00 0.00 O ATOM 554 CB PHE A 37 -11.443 3.487 -0.746 1.00 0.00 C ATOM 555 CG PHE A 37 -10.042 3.793 -0.237 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.186 4.681 -0.914 1.00 0.00 C ATOM 557 CD2 PHE A 37 -9.613 3.195 0.957 1.00 0.00 C ATOM 558 CE1 PHE A 37 -7.914 4.955 -0.397 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.344 3.475 1.471 1.00 0.00 C ATOM 560 CZ PHE A 37 -7.493 4.353 0.794 1.00 0.00 C ATOM 0 H PHE A 37 -13.419 2.532 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.328 4.363 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.124 4.268 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -11.787 2.552 -0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.510 5.151 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.267 2.514 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.256 5.633 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.021 3.013 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.511 4.567 1.190 1.00 0.00 H new ATOM 570 N MET A 38 -10.948 1.304 -3.342 1.00 0.00 N ATOM 571 CA MET A 38 -10.026 0.319 -3.969 1.00 0.00 C ATOM 572 C MET A 38 -9.878 0.680 -5.458 1.00 0.00 C ATOM 573 O MET A 38 -8.815 0.550 -6.025 1.00 0.00 O ATOM 574 CB MET A 38 -10.612 -1.096 -3.791 1.00 0.00 C ATOM 575 CG MET A 38 -10.248 -2.013 -4.968 1.00 0.00 C ATOM 576 SD MET A 38 -8.456 -1.991 -5.222 1.00 0.00 S ATOM 577 CE MET A 38 -8.445 -2.851 -6.814 1.00 0.00 C ATOM 0 H MET A 38 -11.933 1.041 -3.359 1.00 0.00 H new ATOM 0 HA MET A 38 -9.042 0.342 -3.500 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.240 -1.530 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.696 -1.032 -3.701 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.585 -3.030 -4.768 1.00 0.00 H new ATOM 0 HG3 MET A 38 -10.758 -1.681 -5.872 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.444 -2.810 -7.243 1.00 0.00 H new ATOM 0 HE2 MET A 38 -8.735 -3.891 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 38 -9.150 -2.370 -7.492 1.00 0.00 H new ATOM 587 N GLN A 39 -10.921 1.139 -6.092 1.00 0.00 N ATOM 588 CA GLN A 39 -10.805 1.501 -7.535 1.00 0.00 C ATOM 589 C GLN A 39 -9.782 2.622 -7.676 1.00 0.00 C ATOM 590 O GLN A 39 -8.950 2.609 -8.558 1.00 0.00 O ATOM 591 CB GLN A 39 -12.165 1.950 -8.066 1.00 0.00 C ATOM 592 CG GLN A 39 -12.101 2.068 -9.586 1.00 0.00 C ATOM 593 CD GLN A 39 -12.040 0.671 -10.206 1.00 0.00 C ATOM 594 OE1 GLN A 39 -11.020 0.270 -10.730 1.00 0.00 O ATOM 595 NE2 GLN A 39 -13.098 -0.093 -10.169 1.00 0.00 N ATOM 0 H GLN A 39 -11.843 1.279 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.479 0.637 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.935 1.234 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.441 2.909 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.975 2.604 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.225 2.646 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.955 0.243 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.068 -1.026 -10.580 1.00 0.00 H new ATOM 604 N THR A 40 -9.791 3.557 -6.780 1.00 0.00 N ATOM 605 CA THR A 40 -8.767 4.629 -6.824 1.00 0.00 C ATOM 606 C THR A 40 -7.427 3.965 -6.523 1.00 0.00 C ATOM 607 O THR A 40 -6.628 3.775 -7.418 1.00 0.00 O ATOM 608 CB THR A 40 -9.082 5.704 -5.767 1.00 0.00 C ATOM 609 OG1 THR A 40 -7.964 5.864 -4.911 1.00 0.00 O ATOM 610 CG2 THR A 40 -10.291 5.286 -4.929 1.00 0.00 C ATOM 0 H THR A 40 -10.464 3.628 -6.016 1.00 0.00 H new ATOM 0 HA THR A 40 -8.749 5.119 -7.797 1.00 0.00 H new ATOM 0 HB THR A 40 -9.304 6.642 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.168 5.483 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.502 6.055 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.158 5.161 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.076 4.344 -4.425 1.00 0.00 H new ATOM 618 N ILE A 41 -7.159 3.645 -5.286 1.00 0.00 N ATOM 619 CA ILE A 41 -5.850 3.005 -4.923 1.00 0.00 C ATOM 620 C ILE A 41 -5.382 2.046 -6.023 1.00 0.00 C ATOM 621 O ILE A 41 -4.203 1.794 -6.175 1.00 0.00 O ATOM 622 CB ILE A 41 -6.036 2.233 -3.621 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.387 3.226 -2.503 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.768 1.447 -3.275 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.227 4.210 -2.236 1.00 0.00 C ATOM 0 H ILE A 41 -7.792 3.799 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.093 3.781 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.847 1.514 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.282 3.783 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.620 2.679 -1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.920 0.903 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.548 0.741 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.932 2.137 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.510 4.898 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.339 3.653 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.012 4.774 -3.144 1.00 0.00 H new ATOM 637 N ARG A 42 -6.287 1.528 -6.806 1.00 0.00 N ATOM 638 CA ARG A 42 -5.874 0.614 -7.903 1.00 0.00 C ATOM 639 C ARG A 42 -5.149 1.427 -8.978 1.00 0.00 C ATOM 640 O ARG A 42 -4.121 1.022 -9.487 1.00 0.00 O ATOM 641 CB ARG A 42 -7.106 -0.046 -8.520 1.00 0.00 C ATOM 642 CG ARG A 42 -6.679 -1.096 -9.556 1.00 0.00 C ATOM 643 CD ARG A 42 -7.897 -1.548 -10.362 1.00 0.00 C ATOM 644 NE ARG A 42 -7.564 -2.798 -11.103 1.00 0.00 N ATOM 645 CZ ARG A 42 -8.518 -3.528 -11.614 1.00 0.00 C ATOM 646 NH1 ARG A 42 -9.764 -3.167 -11.474 1.00 0.00 N ATOM 647 NH2 ARG A 42 -8.224 -4.621 -12.264 1.00 0.00 N ATOM 0 H ARG A 42 -7.290 1.698 -6.733 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.215 -0.157 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.705 -0.516 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.734 0.709 -8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.924 -0.678 -10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.224 -1.951 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.743 -1.721 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.195 -0.766 -11.061 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.591 -3.083 -11.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.994 -2.314 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.508 -3.738 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.250 -4.904 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.968 -5.192 -12.664 1.00 0.00 H new ATOM 661 N LEU A 43 -5.675 2.575 -9.335 1.00 0.00 N ATOM 662 CA LEU A 43 -5.018 3.409 -10.385 1.00 0.00 C ATOM 663 C LEU A 43 -4.052 4.398 -9.731 1.00 0.00 C ATOM 664 O LEU A 43 -3.244 5.011 -10.393 1.00 0.00 O ATOM 665 CB LEU A 43 -6.089 4.197 -11.154 1.00 0.00 C ATOM 666 CG LEU A 43 -6.780 3.304 -12.195 1.00 0.00 C ATOM 667 CD1 LEU A 43 -5.807 2.918 -13.328 1.00 0.00 C ATOM 668 CD2 LEU A 43 -7.317 2.043 -11.514 1.00 0.00 C ATOM 0 H LEU A 43 -6.531 2.968 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.471 2.758 -11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.829 4.590 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.631 5.053 -11.649 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.607 3.862 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.323 2.286 -14.051 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.450 3.820 -13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.959 2.375 -12.910 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.807 1.410 -12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.492 1.496 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.035 2.323 -10.744 1.00 0.00 H new ATOM 680 N ALA A 44 -4.100 4.544 -8.436 1.00 0.00 N ATOM 681 CA ALA A 44 -3.148 5.491 -7.771 1.00 0.00 C ATOM 682 C ALA A 44 -1.855 4.746 -7.437 1.00 0.00 C ATOM 683 O ALA A 44 -0.770 5.244 -7.671 1.00 0.00 O ATOM 684 CB ALA A 44 -3.772 6.068 -6.498 1.00 0.00 C ATOM 0 H ALA A 44 -4.745 4.059 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.928 6.318 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.068 6.754 -6.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.687 6.604 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.006 5.257 -5.808 1.00 0.00 H new ATOM 690 N VAL A 45 -1.949 3.560 -6.912 1.00 0.00 N ATOM 691 CA VAL A 45 -0.718 2.801 -6.588 1.00 0.00 C ATOM 692 C VAL A 45 -0.158 2.192 -7.876 1.00 0.00 C ATOM 693 O VAL A 45 1.028 1.981 -8.009 1.00 0.00 O ATOM 694 CB VAL A 45 -1.055 1.691 -5.581 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.099 0.687 -5.488 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.286 2.318 -4.204 1.00 0.00 C ATOM 0 H VAL A 45 -2.825 3.085 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 45 0.027 3.463 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.953 1.170 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.155 -0.093 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.271 0.239 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.003 1.201 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.526 1.536 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.384 2.840 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.113 3.025 -4.260 1.00 0.00 H new ATOM 706 N GLN A 46 -0.998 1.914 -8.834 1.00 0.00 N ATOM 707 CA GLN A 46 -0.497 1.317 -10.101 1.00 0.00 C ATOM 708 C GLN A 46 0.065 2.405 -11.021 1.00 0.00 C ATOM 709 O GLN A 46 0.822 2.121 -11.928 1.00 0.00 O ATOM 710 CB GLN A 46 -1.650 0.605 -10.812 1.00 0.00 C ATOM 711 CG GLN A 46 -1.126 -0.084 -12.073 1.00 0.00 C ATOM 712 CD GLN A 46 -2.226 -0.966 -12.667 1.00 0.00 C ATOM 713 OE1 GLN A 46 -2.944 -0.548 -13.553 1.00 0.00 O ATOM 714 NE2 GLN A 46 -2.388 -2.179 -12.213 1.00 0.00 N ATOM 0 H GLN A 46 -2.005 2.074 -8.794 1.00 0.00 H new ATOM 0 HA GLN A 46 0.297 0.608 -9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.104 -0.129 -10.146 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.428 1.322 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.809 0.661 -12.803 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.251 -0.688 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.785 -2.530 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.118 -2.776 -12.602 1.00 0.00 H new ATOM 723 N GLN A 47 -0.313 3.646 -10.828 1.00 0.00 N ATOM 724 CA GLN A 47 0.196 4.720 -11.738 1.00 0.00 C ATOM 725 C GLN A 47 1.517 5.305 -11.235 1.00 0.00 C ATOM 726 O GLN A 47 2.543 5.199 -11.879 1.00 0.00 O ATOM 727 CB GLN A 47 -0.842 5.849 -11.824 1.00 0.00 C ATOM 728 CG GLN A 47 -1.996 5.423 -12.740 1.00 0.00 C ATOM 729 CD GLN A 47 -3.155 6.411 -12.599 1.00 0.00 C ATOM 730 OE1 GLN A 47 -3.293 7.062 -11.582 1.00 0.00 O ATOM 731 NE2 GLN A 47 -4.000 6.551 -13.583 1.00 0.00 N ATOM 0 H GLN A 47 -0.944 3.959 -10.090 1.00 0.00 H new ATOM 0 HA GLN A 47 0.366 4.275 -12.718 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.222 6.083 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.376 6.756 -12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.658 5.389 -13.776 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.328 4.418 -12.480 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.884 6.005 -14.436 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.777 7.207 -13.499 1.00 0.00 H new ATOM 740 N PHE A 48 1.488 5.956 -10.104 1.00 0.00 N ATOM 741 CA PHE A 48 2.726 6.593 -9.571 1.00 0.00 C ATOM 742 C PHE A 48 3.528 5.602 -8.730 1.00 0.00 C ATOM 743 O PHE A 48 4.593 5.933 -8.250 1.00 0.00 O ATOM 744 CB PHE A 48 2.336 7.789 -8.700 1.00 0.00 C ATOM 745 CG PHE A 48 3.575 8.560 -8.312 1.00 0.00 C ATOM 746 CD1 PHE A 48 4.066 9.565 -9.154 1.00 0.00 C ATOM 747 CD2 PHE A 48 4.231 8.271 -7.110 1.00 0.00 C ATOM 748 CE1 PHE A 48 5.214 10.281 -8.794 1.00 0.00 C ATOM 749 CE2 PHE A 48 5.379 8.987 -6.750 1.00 0.00 C ATOM 750 CZ PHE A 48 5.871 9.992 -7.592 1.00 0.00 C ATOM 0 H PHE A 48 0.657 6.074 -9.524 1.00 0.00 H new ATOM 0 HA PHE A 48 3.342 6.917 -10.410 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.647 8.437 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.814 7.446 -7.806 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.559 9.788 -10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.852 7.496 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.593 11.056 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.885 8.764 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.757 10.544 -7.314 1.00 0.00 H new ATOM 760 N ASP A 49 3.040 4.392 -8.559 1.00 0.00 N ATOM 761 CA ASP A 49 3.795 3.373 -7.745 1.00 0.00 C ATOM 762 C ASP A 49 4.576 4.045 -6.596 1.00 0.00 C ATOM 763 O ASP A 49 5.781 4.173 -6.681 1.00 0.00 O ATOM 764 CB ASP A 49 4.797 2.652 -8.642 1.00 0.00 C ATOM 765 CG ASP A 49 4.052 1.895 -9.743 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.228 2.506 -10.403 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.319 0.716 -9.908 1.00 0.00 O ATOM 0 H ASP A 49 2.155 4.065 -8.946 1.00 0.00 H new ATOM 0 HA ASP A 49 3.071 2.674 -7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.487 3.371 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.395 1.958 -8.051 1.00 0.00 H new ATOM 772 N PRO A 50 3.884 4.465 -5.564 1.00 0.00 N ATOM 773 CA PRO A 50 4.535 5.132 -4.421 1.00 0.00 C ATOM 774 C PRO A 50 5.603 4.205 -3.816 1.00 0.00 C ATOM 775 O PRO A 50 5.558 3.003 -3.988 1.00 0.00 O ATOM 776 CB PRO A 50 3.381 5.420 -3.430 1.00 0.00 C ATOM 777 CG PRO A 50 2.051 5.045 -4.144 1.00 0.00 C ATOM 778 CD PRO A 50 2.422 4.311 -5.447 1.00 0.00 C ATOM 0 HA PRO A 50 5.055 6.050 -4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.504 4.837 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.378 6.471 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.438 4.409 -3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.465 5.939 -4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.137 3.260 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.909 4.745 -6.305 1.00 0.00 H new ATOM 786 N THR A 51 6.564 4.751 -3.114 1.00 0.00 N ATOM 787 CA THR A 51 7.623 3.887 -2.515 1.00 0.00 C ATOM 788 C THR A 51 7.090 3.260 -1.228 1.00 0.00 C ATOM 789 O THR A 51 6.082 3.680 -0.696 1.00 0.00 O ATOM 790 CB THR A 51 8.861 4.730 -2.197 1.00 0.00 C ATOM 791 OG1 THR A 51 8.529 5.714 -1.227 1.00 0.00 O ATOM 792 CG2 THR A 51 9.359 5.412 -3.472 1.00 0.00 C ATOM 0 H THR A 51 6.660 5.750 -2.931 1.00 0.00 H new ATOM 0 HA THR A 51 7.895 3.103 -3.222 1.00 0.00 H new ATOM 0 HB THR A 51 9.647 4.085 -1.803 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.322 6.252 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.240 6.012 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.617 4.655 -4.213 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.575 6.056 -3.870 1.00 0.00 H new ATOM 800 N ALA A 52 7.753 2.259 -0.717 1.00 0.00 N ATOM 801 CA ALA A 52 7.266 1.625 0.537 1.00 0.00 C ATOM 802 C ALA A 52 7.114 2.713 1.605 1.00 0.00 C ATOM 803 O ALA A 52 6.325 2.612 2.530 1.00 0.00 O ATOM 804 CB ALA A 52 8.276 0.572 1.002 1.00 0.00 C ATOM 0 H ALA A 52 8.604 1.857 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 52 6.305 1.139 0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.920 0.107 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.389 -0.189 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.239 1.048 1.186 1.00 0.00 H new ATOM 810 N LYS A 53 7.863 3.770 1.453 1.00 0.00 N ATOM 811 CA LYS A 53 7.795 4.901 2.417 1.00 0.00 C ATOM 812 C LYS A 53 6.512 5.690 2.182 1.00 0.00 C ATOM 813 O LYS A 53 5.807 6.038 3.104 1.00 0.00 O ATOM 814 CB LYS A 53 8.991 5.826 2.194 1.00 0.00 C ATOM 815 CG LYS A 53 10.284 5.086 2.541 1.00 0.00 C ATOM 816 CD LYS A 53 11.486 5.921 2.095 1.00 0.00 C ATOM 817 CE LYS A 53 12.779 5.208 2.494 1.00 0.00 C ATOM 818 NZ LYS A 53 13.948 6.056 2.125 1.00 0.00 N ATOM 0 H LYS A 53 8.528 3.898 0.690 1.00 0.00 H new ATOM 0 HA LYS A 53 7.809 4.512 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.018 6.159 1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.894 6.718 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.334 4.902 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.302 4.113 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.458 6.070 1.016 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.446 6.909 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.783 5.012 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.844 4.242 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.828 5.572 2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.946 6.222 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.887 6.967 2.623 1.00 0.00 H new ATOM 832 N ASP A 54 6.162 5.911 0.949 1.00 0.00 N ATOM 833 CA ASP A 54 4.896 6.626 0.648 1.00 0.00 C ATOM 834 C ASP A 54 3.736 5.668 0.863 1.00 0.00 C ATOM 835 O ASP A 54 2.614 6.090 1.054 1.00 0.00 O ATOM 836 CB ASP A 54 4.907 7.126 -0.794 1.00 0.00 C ATOM 837 CG ASP A 54 3.644 7.951 -1.052 1.00 0.00 C ATOM 838 OD1 ASP A 54 2.581 7.357 -1.139 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.758 9.160 -1.154 1.00 0.00 O ATOM 0 H ASP A 54 6.702 5.625 0.132 1.00 0.00 H new ATOM 0 HA ASP A 54 4.790 7.487 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.795 7.732 -0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.952 6.283 -1.483 1.00 0.00 H new ATOM 844 N LEU A 55 3.975 4.393 0.897 1.00 0.00 N ATOM 845 CA LEU A 55 2.835 3.484 1.175 1.00 0.00 C ATOM 846 C LEU A 55 2.347 3.841 2.583 1.00 0.00 C ATOM 847 O LEU A 55 1.164 3.911 2.847 1.00 0.00 O ATOM 848 CB LEU A 55 3.282 2.006 1.110 1.00 0.00 C ATOM 849 CG LEU A 55 2.874 1.373 -0.238 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.468 -0.041 -0.335 1.00 0.00 C ATOM 851 CD2 LEU A 55 1.330 1.304 -0.356 1.00 0.00 C ATOM 0 H LEU A 55 4.881 3.949 0.749 1.00 0.00 H new ATOM 0 HA LEU A 55 2.043 3.603 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.363 1.942 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.832 1.448 1.931 1.00 0.00 H new ATOM 0 HG LEU A 55 3.257 1.988 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.182 -0.491 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.555 0.016 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.089 -0.652 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.058 0.856 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.930 0.698 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.915 2.310 -0.296 1.00 0.00 H new ATOM 863 N GLN A 56 3.266 4.080 3.486 1.00 0.00 N ATOM 864 CA GLN A 56 2.879 4.449 4.879 1.00 0.00 C ATOM 865 C GLN A 56 2.126 5.788 4.888 1.00 0.00 C ATOM 866 O GLN A 56 0.947 5.837 5.166 1.00 0.00 O ATOM 867 CB GLN A 56 4.139 4.573 5.737 1.00 0.00 C ATOM 868 CG GLN A 56 4.898 3.244 5.727 1.00 0.00 C ATOM 869 CD GLN A 56 6.236 3.414 6.448 1.00 0.00 C ATOM 870 OE1 GLN A 56 7.279 3.130 5.892 1.00 0.00 O ATOM 871 NE2 GLN A 56 6.252 3.868 7.671 1.00 0.00 N ATOM 0 H GLN A 56 4.271 4.035 3.316 1.00 0.00 H new ATOM 0 HA GLN A 56 2.227 3.674 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.776 5.370 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.871 4.843 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.305 2.471 6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.065 2.916 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.377 4.106 8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.139 3.985 8.160 1.00 0.00 H new ATOM 880 N ASP A 57 2.805 6.877 4.621 1.00 0.00 N ATOM 881 CA ASP A 57 2.128 8.218 4.647 1.00 0.00 C ATOM 882 C ASP A 57 0.744 8.145 3.984 1.00 0.00 C ATOM 883 O ASP A 57 -0.178 8.815 4.403 1.00 0.00 O ATOM 884 CB ASP A 57 2.996 9.260 3.939 1.00 0.00 C ATOM 885 CG ASP A 57 2.248 10.594 3.877 1.00 0.00 C ATOM 886 OD1 ASP A 57 1.692 10.985 4.890 1.00 0.00 O ATOM 887 OD2 ASP A 57 2.245 11.200 2.819 1.00 0.00 O ATOM 0 H ASP A 57 3.797 6.899 4.386 1.00 0.00 H new ATOM 0 HA ASP A 57 1.994 8.514 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.939 9.385 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.240 8.921 2.932 1.00 0.00 H new ATOM 892 N LEU A 58 0.567 7.327 2.986 1.00 0.00 N ATOM 893 CA LEU A 58 -0.786 7.215 2.354 1.00 0.00 C ATOM 894 C LEU A 58 -1.613 6.222 3.176 1.00 0.00 C ATOM 895 O LEU A 58 -2.823 6.319 3.243 1.00 0.00 O ATOM 896 CB LEU A 58 -0.657 6.738 0.900 1.00 0.00 C ATOM 897 CG LEU A 58 -0.328 7.914 -0.041 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.578 8.766 -0.301 1.00 0.00 C ATOM 899 CD2 LEU A 58 0.768 8.796 0.570 1.00 0.00 C ATOM 0 H LEU A 58 1.290 6.734 2.580 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.278 8.187 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.125 5.982 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.587 6.265 0.585 1.00 0.00 H new ATOM 0 HG LEU A 58 0.025 7.501 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.324 9.590 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.349 8.150 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.950 9.164 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.989 9.622 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.426 9.192 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.669 8.202 0.724 1.00 0.00 H new ATOM 911 N LEU A 59 -0.976 5.307 3.841 1.00 0.00 N ATOM 912 CA LEU A 59 -1.729 4.350 4.704 1.00 0.00 C ATOM 913 C LEU A 59 -1.844 4.946 6.115 1.00 0.00 C ATOM 914 O LEU A 59 -2.587 4.463 6.936 1.00 0.00 O ATOM 915 CB LEU A 59 -0.997 3.000 4.762 1.00 0.00 C ATOM 916 CG LEU A 59 -1.945 1.900 5.292 1.00 0.00 C ATOM 917 CD1 LEU A 59 -2.813 1.344 4.155 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.123 0.755 5.893 1.00 0.00 C ATOM 0 H LEU A 59 0.035 5.176 3.828 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.723 4.185 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.636 2.731 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.123 3.080 5.409 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.589 2.339 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.474 0.571 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.410 2.149 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.172 0.917 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.795 -0.018 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.473 0.333 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.516 1.135 6.715 1.00 0.00 H new ATOM 930 N GLN A 60 -1.114 5.986 6.412 1.00 0.00 N ATOM 931 CA GLN A 60 -1.193 6.597 7.779 1.00 0.00 C ATOM 932 C GLN A 60 -2.188 7.761 7.791 1.00 0.00 C ATOM 933 O GLN A 60 -2.698 8.143 8.826 1.00 0.00 O ATOM 934 CB GLN A 60 0.182 7.144 8.148 1.00 0.00 C ATOM 935 CG GLN A 60 1.154 5.983 8.369 1.00 0.00 C ATOM 936 CD GLN A 60 2.540 6.534 8.708 1.00 0.00 C ATOM 937 OE1 GLN A 60 3.235 7.132 7.780 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 2.994 6.420 9.829 1.00 0.00 N flip ATOM 0 H GLN A 60 -0.465 6.442 5.771 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.519 5.836 8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.551 7.794 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.113 7.751 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.797 5.345 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.206 5.363 7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.450 5.952 10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.919 6.792 10.045 1.00 0.00 H new ATOM 947 N TYR A 61 -2.455 8.342 6.648 1.00 0.00 N ATOM 948 CA TYR A 61 -3.402 9.499 6.587 1.00 0.00 C ATOM 949 C TYR A 61 -4.783 9.013 6.150 1.00 0.00 C ATOM 950 O TYR A 61 -5.777 9.278 6.797 1.00 0.00 O ATOM 951 CB TYR A 61 -2.883 10.520 5.572 1.00 0.00 C ATOM 952 CG TYR A 61 -3.785 11.731 5.566 1.00 0.00 C ATOM 953 CD1 TYR A 61 -3.533 12.796 6.440 1.00 0.00 C ATOM 954 CD2 TYR A 61 -4.872 11.791 4.686 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.368 13.919 6.434 1.00 0.00 C ATOM 956 CE2 TYR A 61 -5.707 12.914 4.680 1.00 0.00 C ATOM 957 CZ TYR A 61 -5.455 13.979 5.554 1.00 0.00 C ATOM 958 OH TYR A 61 -6.278 15.086 5.548 1.00 0.00 O ATOM 0 H TYR A 61 -2.057 8.064 5.751 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.476 9.959 7.572 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.864 10.814 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.849 10.075 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.694 12.751 7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.066 10.970 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.174 14.740 7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.546 12.959 4.001 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.983 14.966 4.877 1.00 0.00 H new ATOM 968 N LEU A 62 -4.855 8.303 5.060 1.00 0.00 N ATOM 969 CA LEU A 62 -6.179 7.803 4.593 1.00 0.00 C ATOM 970 C LEU A 62 -6.710 6.779 5.596 1.00 0.00 C ATOM 971 O LEU A 62 -7.897 6.523 5.649 1.00 0.00 O ATOM 972 CB LEU A 62 -6.046 7.163 3.209 1.00 0.00 C ATOM 973 CG LEU A 62 -5.592 8.215 2.186 1.00 0.00 C ATOM 974 CD1 LEU A 62 -5.127 7.510 0.910 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.751 9.170 1.849 1.00 0.00 C ATOM 0 H LEU A 62 -4.060 8.048 4.474 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.876 8.638 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.327 6.345 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.001 6.735 2.904 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.772 8.793 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.804 8.253 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.295 6.845 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.950 6.929 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.414 9.910 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.581 8.601 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.081 9.676 2.756 1.00 0.00 H new ATOM 987 N CYS A 63 -5.853 6.217 6.418 1.00 0.00 N ATOM 988 CA CYS A 63 -6.323 5.235 7.449 1.00 0.00 C ATOM 989 C CYS A 63 -6.209 5.909 8.819 1.00 0.00 C ATOM 990 O CYS A 63 -6.524 7.072 8.972 1.00 0.00 O ATOM 991 CB CYS A 63 -5.438 3.984 7.412 1.00 0.00 C ATOM 992 SG CYS A 63 -4.958 3.640 5.704 1.00 0.00 S ATOM 0 H CYS A 63 -4.849 6.396 6.419 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.353 4.937 7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.551 4.134 8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.975 3.132 7.829 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.994 2.358 5.493 1.00 0.00 H new ATOM 998 N SER A 64 -5.747 5.201 9.814 1.00 0.00 N ATOM 999 CA SER A 64 -5.604 5.834 11.153 1.00 0.00 C ATOM 1000 C SER A 64 -4.721 4.976 12.060 1.00 0.00 C ATOM 1001 O SER A 64 -3.692 5.417 12.534 1.00 0.00 O ATOM 1002 CB SER A 64 -6.978 5.989 11.784 1.00 0.00 C ATOM 1003 OG SER A 64 -7.678 4.754 11.703 1.00 0.00 O ATOM 0 H SER A 64 -5.466 4.222 9.758 1.00 0.00 H new ATOM 0 HA SER A 64 -5.137 6.812 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.879 6.296 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.539 6.771 11.273 1.00 0.00 H new ATOM 0 HG SER A 64 -8.563 4.852 12.111 1.00 0.00 H new ATOM 1009 N SER A 65 -5.112 3.759 12.317 1.00 0.00 N ATOM 1010 CA SER A 65 -4.286 2.891 13.205 1.00 0.00 C ATOM 1011 C SER A 65 -4.690 1.428 13.025 1.00 0.00 C ATOM 1012 O SER A 65 -3.998 0.656 12.384 1.00 0.00 O ATOM 1013 CB SER A 65 -4.504 3.302 14.661 1.00 0.00 C ATOM 1014 OG SER A 65 -5.883 3.178 14.983 1.00 0.00 O ATOM 0 H SER A 65 -5.962 3.329 11.954 1.00 0.00 H new ATOM 0 HA SER A 65 -3.234 3.007 12.943 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.907 2.674 15.322 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.174 4.330 14.814 1.00 0.00 H new ATOM 0 HG SER A 65 -6.026 3.439 15.917 1.00 0.00 H new ATOM 1020 N LEU A 66 -5.803 1.028 13.583 1.00 0.00 N ATOM 1021 CA LEU A 66 -6.235 -0.389 13.438 1.00 0.00 C ATOM 1022 C LEU A 66 -6.131 -0.808 11.975 1.00 0.00 C ATOM 1023 O LEU A 66 -5.378 -1.688 11.642 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.684 -0.535 13.911 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.863 0.155 15.267 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.250 -0.174 15.823 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -6.788 -0.336 16.246 1.00 0.00 C ATOM 0 H LEU A 66 -6.428 1.620 14.130 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.591 -1.027 14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.361 -0.096 13.178 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.944 -1.590 13.993 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.765 1.233 15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.381 0.316 16.788 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.013 0.180 15.130 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.346 -1.253 15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.920 0.158 17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.879 -1.414 16.376 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.800 -0.101 15.850 1.00 0.00 H new ATOM 1039 N VAL A 67 -6.925 -0.224 11.114 1.00 0.00 N ATOM 1040 CA VAL A 67 -6.913 -0.621 9.667 1.00 0.00 C ATOM 1041 C VAL A 67 -5.492 -1.033 9.229 1.00 0.00 C ATOM 1042 O VAL A 67 -5.310 -1.958 8.462 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.399 0.555 8.820 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.225 0.233 7.334 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -8.879 0.813 9.113 1.00 0.00 C ATOM 0 H VAL A 67 -7.586 0.516 11.350 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.576 -1.475 9.526 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.814 1.441 9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.573 1.075 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.172 0.049 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.806 -0.655 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.228 1.651 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.459 -0.077 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.005 1.048 10.170 1.00 0.00 H new ATOM 1055 N ALA A 68 -4.483 -0.357 9.738 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.074 -0.711 9.383 1.00 0.00 C ATOM 1057 C ALA A 68 -2.777 -2.119 9.898 1.00 0.00 C ATOM 1058 O ALA A 68 -2.197 -2.935 9.209 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.115 0.286 10.037 1.00 0.00 C ATOM 0 H ALA A 68 -4.580 0.426 10.385 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.943 -0.675 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.088 0.027 9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.337 1.292 9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.236 0.250 11.120 1.00 0.00 H new ATOM 1065 N SER A 69 -3.239 -2.431 11.079 1.00 0.00 N ATOM 1066 CA SER A 69 -3.065 -3.805 11.620 1.00 0.00 C ATOM 1067 C SER A 69 -3.687 -4.779 10.622 1.00 0.00 C ATOM 1068 O SER A 69 -3.022 -5.491 9.896 1.00 0.00 O ATOM 1069 CB SER A 69 -3.856 -3.904 12.931 1.00 0.00 C ATOM 1070 OG SER A 69 -3.805 -5.243 13.406 1.00 0.00 O ATOM 0 H SER A 69 -3.733 -1.786 11.695 1.00 0.00 H new ATOM 0 HA SER A 69 -2.011 -4.030 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.438 -3.225 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.891 -3.602 12.769 1.00 0.00 H new ATOM 0 HG SER A 69 -4.307 -5.312 14.245 1.00 0.00 H new ATOM 1076 N LEU A 70 -4.994 -4.783 10.612 1.00 0.00 N ATOM 1077 CA LEU A 70 -5.816 -5.646 9.724 1.00 0.00 C ATOM 1078 C LEU A 70 -5.262 -5.785 8.292 1.00 0.00 C ATOM 1079 O LEU A 70 -4.949 -6.861 7.827 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.198 -4.951 9.618 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.041 -5.211 10.882 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -7.372 -4.583 12.105 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.431 -4.596 10.694 1.00 0.00 C ATOM 0 H LEU A 70 -5.552 -4.185 11.222 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.839 -6.649 10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.061 -3.878 9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.729 -5.319 8.740 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.125 -6.286 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.979 -4.775 12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.382 -5.019 12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.278 -3.507 11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.032 -4.777 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.335 -3.522 10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.916 -5.051 9.830 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.295 -4.708 7.544 1.00 0.00 N ATOM 1096 CA HIS A 71 -4.937 -4.794 6.096 1.00 0.00 C ATOM 1097 C HIS A 71 -3.583 -5.493 5.887 1.00 0.00 C ATOM 1098 O HIS A 71 -3.461 -6.454 5.136 1.00 0.00 O ATOM 1099 CB HIS A 71 -4.938 -3.377 5.491 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.166 -3.336 4.196 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -4.526 -4.092 3.092 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -3.054 -2.626 3.818 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.644 -3.821 2.111 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.726 -2.934 2.502 1.00 0.00 N ATOM 0 H HIS A 71 -5.553 -3.778 7.873 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.682 -5.402 5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.964 -3.054 5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.500 -2.675 6.201 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.315 -4.736 3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.515 -1.933 4.447 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.675 -4.267 1.128 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.951 -2.562 1.953 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.551 -4.998 6.526 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.217 -5.622 6.327 1.00 0.00 C ATOM 1114 C HIS A 72 -1.249 -7.012 6.954 1.00 0.00 C ATOM 1115 O HIS A 72 -0.416 -7.850 6.676 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.113 -4.751 6.931 1.00 0.00 C ATOM 1117 CG HIS A 72 1.208 -5.466 6.855 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.477 -6.605 7.596 1.00 0.00 N ATOM 1119 CD2 HIS A 72 2.351 -5.204 6.141 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.738 -6.982 7.315 1.00 0.00 C ATOM 1121 NE2 HIS A 72 3.316 -6.163 6.433 1.00 0.00 N ATOM 0 H HIS A 72 -2.577 -4.203 7.165 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.994 -5.710 5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.054 -3.803 6.397 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.350 -4.518 7.969 1.00 0.00 H new ATOM 0 HD1 HIS A 72 0.836 -7.073 8.237 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.481 -4.379 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.224 -7.843 7.750 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.252 -7.284 7.754 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.372 -8.647 8.334 1.00 0.00 C ATOM 1131 C GLN A 73 -2.387 -9.598 7.138 1.00 0.00 C ATOM 1132 O GLN A 73 -1.531 -10.448 6.999 1.00 0.00 O ATOM 1133 CB GLN A 73 -3.671 -8.772 9.154 1.00 0.00 C ATOM 1134 CG GLN A 73 -3.522 -9.866 10.215 1.00 0.00 C ATOM 1135 CD GLN A 73 -2.533 -9.409 11.290 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.784 -8.451 11.994 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -1.412 -10.058 11.446 1.00 0.00 N ATOM 0 H GLN A 73 -2.982 -6.625 8.025 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.552 -8.874 9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.901 -7.820 9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.506 -9.007 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.490 -10.083 10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.172 -10.789 9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.202 -10.862 10.855 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.746 -9.761 12.159 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.352 -9.442 6.253 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.400 -10.319 5.041 1.00 0.00 C ATOM 1148 C GLN A 74 -1.980 -10.362 4.478 1.00 0.00 C ATOM 1149 O GLN A 74 -1.271 -11.337 4.625 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.343 -9.702 4.005 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.744 -9.567 4.605 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.333 -10.958 4.846 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.381 -11.425 5.967 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.788 -11.645 3.834 1.00 0.00 N ATOM 0 H GLN A 74 -4.099 -8.751 6.320 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.759 -11.319 5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.972 -8.724 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.377 -10.326 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.698 -9.013 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.387 -9.000 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.748 -11.254 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.184 -12.573 3.984 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.546 -9.242 3.910 1.00 0.00 N ATOM 1164 CA LEU A 75 -0.140 -9.094 3.402 1.00 0.00 C ATOM 1165 C LEU A 75 0.822 -9.913 4.263 1.00 0.00 C ATOM 1166 O LEU A 75 1.488 -10.797 3.764 1.00 0.00 O ATOM 1167 CB LEU A 75 0.222 -7.596 3.513 1.00 0.00 C ATOM 1168 CG LEU A 75 1.274 -7.217 2.462 1.00 0.00 C ATOM 1169 CD1 LEU A 75 1.632 -5.739 2.611 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.526 -8.069 2.670 1.00 0.00 C ATOM 0 H LEU A 75 -2.126 -8.413 3.779 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.063 -9.448 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.673 -6.989 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.603 -7.381 4.511 1.00 0.00 H new ATOM 0 HG LEU A 75 0.874 -7.394 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.379 -5.469 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.738 -5.132 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.034 -5.561 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.276 -7.802 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.926 -7.890 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.270 -9.123 2.566 1.00 0.00 H new ATOM 1182 N ASP A 76 0.888 -9.622 5.540 1.00 0.00 N ATOM 1183 CA ASP A 76 1.789 -10.373 6.476 1.00 0.00 C ATOM 1184 C ASP A 76 2.043 -11.797 5.964 1.00 0.00 C ATOM 1185 O ASP A 76 3.117 -12.148 5.497 1.00 0.00 O ATOM 1186 CB ASP A 76 1.070 -10.457 7.848 1.00 0.00 C ATOM 1187 CG ASP A 76 2.103 -10.616 8.973 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.961 -11.474 8.845 1.00 0.00 O ATOM 1189 OD2 ASP A 76 2.015 -9.877 9.939 1.00 0.00 O ATOM 0 H ASP A 76 0.345 -8.881 5.983 1.00 0.00 H new ATOM 0 HA ASP A 76 2.747 -9.859 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.476 -9.558 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.380 -11.300 7.855 1.00 0.00 H new ATOM 1194 N SER A 77 1.032 -12.614 6.050 1.00 0.00 N ATOM 1195 CA SER A 77 1.146 -14.013 5.593 1.00 0.00 C ATOM 1196 C SER A 77 1.030 -14.089 4.077 1.00 0.00 C ATOM 1197 O SER A 77 1.590 -14.974 3.461 1.00 0.00 O ATOM 1198 CB SER A 77 0.010 -14.819 6.197 1.00 0.00 C ATOM 1199 OG SER A 77 0.198 -14.925 7.603 1.00 0.00 O ATOM 0 H SER A 77 0.118 -12.360 6.425 1.00 0.00 H new ATOM 0 HA SER A 77 2.114 -14.407 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.945 -14.339 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.024 -15.812 5.748 1.00 0.00 H new ATOM 0 HG SER A 77 -0.536 -15.444 7.993 1.00 0.00 H new ATOM 1205 N LEU A 78 0.287 -13.196 3.458 1.00 0.00 N ATOM 1206 CA LEU A 78 0.136 -13.268 1.994 1.00 0.00 C ATOM 1207 C LEU A 78 1.525 -13.439 1.390 1.00 0.00 C ATOM 1208 O LEU A 78 1.840 -14.444 0.783 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.528 -11.971 1.489 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.567 -12.306 0.412 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.909 -12.649 1.067 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -1.750 -11.111 -0.532 1.00 0.00 C ATOM 0 H LEU A 78 -0.212 -12.432 3.913 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.494 -14.108 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.005 -11.449 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.228 -11.299 1.082 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.214 -13.165 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.641 -12.886 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.784 -13.510 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.258 -11.796 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.490 -11.359 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.091 -10.246 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.800 -10.878 -1.012 1.00 0.00 H new ATOM 1224 N ILE A 79 2.378 -12.472 1.614 1.00 0.00 N ATOM 1225 CA ILE A 79 3.771 -12.564 1.133 1.00 0.00 C ATOM 1226 C ILE A 79 4.319 -13.939 1.524 1.00 0.00 C ATOM 1227 O ILE A 79 4.795 -14.679 0.687 1.00 0.00 O ATOM 1228 CB ILE A 79 4.572 -11.418 1.823 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.681 -10.196 0.883 1.00 0.00 C ATOM 1230 CG2 ILE A 79 5.984 -11.870 2.230 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.414 -10.552 -0.422 1.00 0.00 C ATOM 0 H ILE A 79 2.156 -11.614 2.118 1.00 0.00 H new ATOM 0 HA ILE A 79 3.847 -12.457 0.051 1.00 0.00 H new ATOM 0 HB ILE A 79 4.026 -11.144 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.683 -9.824 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.211 -9.391 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.508 -11.042 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.912 -12.704 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.535 -12.185 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.472 -9.669 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.421 -10.900 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.869 -11.339 -0.942 1.00 0.00 H new ATOM 1243 N SER A 80 4.282 -14.278 2.792 1.00 0.00 N ATOM 1244 CA SER A 80 4.831 -15.601 3.207 1.00 0.00 C ATOM 1245 C SER A 80 4.342 -16.693 2.252 1.00 0.00 C ATOM 1246 O SER A 80 5.112 -17.504 1.768 1.00 0.00 O ATOM 1247 CB SER A 80 4.369 -15.932 4.625 1.00 0.00 C ATOM 1248 OG SER A 80 4.676 -14.844 5.487 1.00 0.00 O ATOM 0 H SER A 80 3.901 -13.704 3.544 1.00 0.00 H new ATOM 0 HA SER A 80 5.920 -15.554 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.296 -16.126 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.860 -16.839 4.977 1.00 0.00 H new ATOM 0 HG SER A 80 4.379 -15.054 6.397 1.00 0.00 H new ATOM 1254 N GLU A 81 3.065 -16.737 1.990 1.00 0.00 N ATOM 1255 CA GLU A 81 2.534 -17.797 1.097 1.00 0.00 C ATOM 1256 C GLU A 81 2.759 -17.457 -0.379 1.00 0.00 C ATOM 1257 O GLU A 81 2.778 -18.339 -1.215 1.00 0.00 O ATOM 1258 CB GLU A 81 1.033 -17.951 1.348 1.00 0.00 C ATOM 1259 CG GLU A 81 0.786 -18.197 2.838 1.00 0.00 C ATOM 1260 CD GLU A 81 -0.719 -18.250 3.105 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.279 -19.330 3.018 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.287 -17.209 3.393 1.00 0.00 O ATOM 0 H GLU A 81 2.370 -16.086 2.356 1.00 0.00 H new ATOM 0 HA GLU A 81 3.063 -18.724 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.506 -17.053 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.639 -18.781 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.254 -19.133 3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.243 -17.403 3.429 1.00 0.00 H new ATOM 1269 N ALA A 82 2.856 -16.200 -0.743 1.00 0.00 N ATOM 1270 CA ALA A 82 2.986 -15.898 -2.202 1.00 0.00 C ATOM 1271 C ALA A 82 4.352 -16.345 -2.718 1.00 0.00 C ATOM 1272 O ALA A 82 4.505 -16.795 -3.835 1.00 0.00 O ATOM 1273 CB ALA A 82 2.838 -14.396 -2.441 1.00 0.00 C ATOM 0 H ALA A 82 2.851 -15.395 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 82 2.201 -16.437 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.934 -14.186 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.859 -14.067 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.615 -13.862 -1.894 1.00 0.00 H new ATOM 1279 N GLU A 83 5.359 -16.176 -1.895 1.00 0.00 N ATOM 1280 CA GLU A 83 6.742 -16.541 -2.310 1.00 0.00 C ATOM 1281 C GLU A 83 6.920 -18.051 -2.228 1.00 0.00 C ATOM 1282 O GLU A 83 7.639 -18.639 -3.011 1.00 0.00 O ATOM 1283 CB GLU A 83 7.763 -15.843 -1.410 1.00 0.00 C ATOM 1284 CG GLU A 83 7.609 -16.350 0.026 1.00 0.00 C ATOM 1285 CD GLU A 83 8.447 -15.483 0.967 1.00 0.00 C ATOM 1286 OE1 GLU A 83 7.978 -14.420 1.337 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.544 -15.898 1.302 1.00 0.00 O ATOM 0 H GLU A 83 5.278 -15.799 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 83 6.903 -16.217 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.773 -16.038 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.615 -14.764 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.561 -16.319 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.928 -17.390 0.092 1.00 0.00 H new ATOM 1294 N THR A 84 6.253 -18.699 -1.313 1.00 0.00 N ATOM 1295 CA THR A 84 6.383 -20.175 -1.238 1.00 0.00 C ATOM 1296 C THR A 84 5.978 -20.741 -2.607 1.00 0.00 C ATOM 1297 O THR A 84 6.663 -21.557 -3.190 1.00 0.00 O ATOM 1298 CB THR A 84 5.444 -20.701 -0.126 1.00 0.00 C ATOM 1299 OG1 THR A 84 5.083 -19.617 0.714 1.00 0.00 O ATOM 1300 CG2 THR A 84 6.148 -21.769 0.721 1.00 0.00 C ATOM 0 H THR A 84 5.632 -18.274 -0.624 1.00 0.00 H new ATOM 0 HA THR A 84 7.402 -20.480 -1.000 1.00 0.00 H new ATOM 0 HB THR A 84 4.562 -21.145 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.893 -19.165 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.469 -22.124 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.440 -22.604 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.035 -21.339 1.185 1.00 0.00 H new ATOM 1308 N ARG A 85 4.847 -20.304 -3.103 1.00 0.00 N ATOM 1309 CA ARG A 85 4.334 -20.783 -4.420 1.00 0.00 C ATOM 1310 C ARG A 85 5.472 -20.926 -5.429 1.00 0.00 C ATOM 1311 O ARG A 85 5.529 -21.893 -6.163 1.00 0.00 O ATOM 1312 CB ARG A 85 3.303 -19.766 -4.949 1.00 0.00 C ATOM 1313 CG ARG A 85 3.068 -19.949 -6.470 1.00 0.00 C ATOM 1314 CD ARG A 85 4.174 -19.247 -7.313 1.00 0.00 C ATOM 1315 NE ARG A 85 3.546 -18.413 -8.390 1.00 0.00 N ATOM 1316 CZ ARG A 85 2.601 -18.893 -9.156 1.00 0.00 C ATOM 1317 NH1 ARG A 85 2.237 -20.142 -9.050 1.00 0.00 N ATOM 1318 NH2 ARG A 85 2.036 -18.127 -10.048 1.00 0.00 N ATOM 0 H ARG A 85 4.247 -19.622 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 85 3.871 -21.761 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.361 -19.888 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.653 -18.753 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.048 -21.012 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.093 -19.543 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.791 -18.620 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.833 -19.993 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 85 3.862 -17.453 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.690 -20.749 -8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.499 -20.511 -9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.332 -17.156 -10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.299 -18.499 -10.647 1.00 0.00 H new ATOM 1332 N GLY A 86 6.372 -19.972 -5.488 1.00 0.00 N ATOM 1333 CA GLY A 86 7.501 -20.053 -6.474 1.00 0.00 C ATOM 1334 C GLY A 86 7.573 -18.747 -7.280 1.00 0.00 C ATOM 1335 O GLY A 86 7.543 -18.753 -8.495 1.00 0.00 O ATOM 0 H GLY A 86 6.375 -19.141 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.443 -20.223 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.352 -20.899 -7.145 1.00 0.00 H new ATOM 1339 N ILE A 87 7.686 -17.629 -6.611 1.00 0.00 N ATOM 1340 CA ILE A 87 7.782 -16.317 -7.325 1.00 0.00 C ATOM 1341 C ILE A 87 9.017 -16.341 -8.241 1.00 0.00 C ATOM 1342 O ILE A 87 8.945 -16.105 -9.430 1.00 0.00 O ATOM 1343 CB ILE A 87 7.935 -15.207 -6.252 1.00 0.00 C ATOM 1344 CG1 ILE A 87 6.547 -14.787 -5.743 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.666 -13.982 -6.824 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.672 -13.828 -4.549 1.00 0.00 C ATOM 0 H ILE A 87 7.716 -17.566 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 87 6.896 -16.130 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 87 8.527 -15.606 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.991 -14.304 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.980 -15.670 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.759 -13.220 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.659 -14.277 -7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.099 -13.579 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.678 -13.544 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.208 -14.323 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.219 -12.936 -4.854 1.00 0.00 H new ATOM 1358 N THR A 88 10.127 -16.659 -7.652 1.00 0.00 N ATOM 1359 CA THR A 88 11.415 -16.739 -8.411 1.00 0.00 C ATOM 1360 C THR A 88 12.516 -17.254 -7.498 1.00 0.00 C ATOM 1361 O THR A 88 13.530 -16.605 -7.332 1.00 0.00 O ATOM 1362 CB THR A 88 11.821 -15.341 -8.918 1.00 0.00 C ATOM 1363 OG1 THR A 88 10.695 -14.667 -9.457 1.00 0.00 O ATOM 1364 CG2 THR A 88 12.892 -15.481 -10.001 1.00 0.00 C ATOM 0 H THR A 88 10.207 -16.873 -6.658 1.00 0.00 H new ATOM 0 HA THR A 88 11.277 -17.414 -9.256 1.00 0.00 H new ATOM 0 HB THR A 88 12.214 -14.764 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.130 -15.307 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.179 -14.492 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.765 -15.984 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.496 -16.067 -10.831 1.00 0.00 H new ATOM 1372 N SER A 89 12.349 -18.414 -6.915 1.00 0.00 N ATOM 1373 CA SER A 89 13.422 -18.943 -6.017 1.00 0.00 C ATOM 1374 C SER A 89 13.896 -17.821 -5.083 1.00 0.00 C ATOM 1375 O SER A 89 14.938 -17.912 -4.472 1.00 0.00 O ATOM 1376 CB SER A 89 14.600 -19.417 -6.869 1.00 0.00 C ATOM 1377 OG SER A 89 15.305 -18.286 -7.365 1.00 0.00 O ATOM 0 H SER A 89 11.529 -19.011 -7.019 1.00 0.00 H new ATOM 0 HA SER A 89 13.034 -19.774 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.265 -20.043 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.242 -20.029 -7.697 1.00 0.00 H new ATOM 0 HG SER A 89 14.772 -17.477 -7.215 1.00 0.00 H new ATOM 1383 N TYR A 90 13.109 -16.771 -4.990 1.00 0.00 N ATOM 1384 CA TYR A 90 13.423 -15.584 -4.130 1.00 0.00 C ATOM 1385 C TYR A 90 14.877 -15.101 -4.298 1.00 0.00 C ATOM 1386 O TYR A 90 15.818 -15.864 -4.263 1.00 0.00 O ATOM 1387 CB TYR A 90 13.123 -15.906 -2.666 1.00 0.00 C ATOM 1388 CG TYR A 90 13.713 -17.244 -2.289 1.00 0.00 C ATOM 1389 CD1 TYR A 90 15.026 -17.322 -1.808 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.948 -18.408 -2.425 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.572 -18.564 -1.462 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.493 -19.650 -2.079 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.805 -19.728 -1.598 1.00 0.00 C ATOM 1394 OH TYR A 90 15.343 -20.952 -1.257 1.00 0.00 O ATOM 0 H TYR A 90 12.228 -16.688 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 90 12.783 -14.764 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.534 -15.127 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.045 -15.918 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.617 -16.424 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.936 -18.348 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.584 -18.624 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.901 -20.548 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 90 14.678 -21.656 -1.410 1.00 0.00 H new ATOM 1404 N ASN A 91 15.057 -13.810 -4.478 1.00 0.00 N ATOM 1405 CA ASN A 91 16.434 -13.244 -4.652 1.00 0.00 C ATOM 1406 C ASN A 91 16.620 -11.943 -3.823 1.00 0.00 C ATOM 1407 O ASN A 91 17.527 -11.891 -3.016 1.00 0.00 O ATOM 1408 CB ASN A 91 16.742 -12.986 -6.166 1.00 0.00 C ATOM 1409 CG ASN A 91 15.654 -13.609 -7.056 1.00 0.00 C ATOM 1410 OD1 ASN A 91 14.476 -13.514 -6.775 1.00 0.00 O ATOM 1411 ND2 ASN A 91 16.012 -14.258 -8.131 1.00 0.00 N ATOM 0 H ASN A 91 14.304 -13.123 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 91 17.145 -13.981 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.801 -11.914 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 91 17.714 -13.408 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 91 15.304 -14.682 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 91 17.000 -14.341 -8.372 1.00 0.00 H new ATOM 1418 N PRO A 92 15.807 -10.900 -4.039 1.00 0.00 N ATOM 1419 CA PRO A 92 15.971 -9.626 -3.305 1.00 0.00 C ATOM 1420 C PRO A 92 15.112 -9.607 -2.039 1.00 0.00 C ATOM 1421 O PRO A 92 15.404 -8.883 -1.108 1.00 0.00 O ATOM 1422 CB PRO A 92 15.458 -8.566 -4.302 1.00 0.00 C ATOM 1423 CG PRO A 92 14.667 -9.338 -5.402 1.00 0.00 C ATOM 1424 CD PRO A 92 14.685 -10.832 -5.002 1.00 0.00 C ATOM 0 HA PRO A 92 16.999 -9.461 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.817 -7.840 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.288 -8.011 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.644 -8.969 -5.473 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.126 -9.194 -6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.743 -11.141 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.851 -11.479 -5.863 1.00 0.00 H new ATOM 1432 N LEU A 93 14.068 -10.390 -1.975 1.00 0.00 N ATOM 1433 CA LEU A 93 13.242 -10.380 -0.735 1.00 0.00 C ATOM 1434 C LEU A 93 14.190 -10.598 0.422 1.00 0.00 C ATOM 1435 O LEU A 93 14.232 -9.808 1.320 1.00 0.00 O ATOM 1436 CB LEU A 93 12.166 -11.465 -0.793 1.00 0.00 C ATOM 1437 CG LEU A 93 11.593 -11.544 -2.233 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.256 -12.701 -2.982 1.00 0.00 C ATOM 1439 CD2 LEU A 93 10.067 -11.766 -2.188 1.00 0.00 C ATOM 0 H LEU A 93 13.757 -11.023 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 93 12.716 -9.432 -0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.588 -12.428 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.369 -11.241 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 93 11.799 -10.606 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.854 -12.757 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.332 -12.536 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.055 -13.636 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.677 -11.820 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.850 -12.698 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.594 -10.937 -1.661 1.00 0.00 H new ATOM 1451 N ALA A 94 14.946 -11.671 0.350 1.00 0.00 N ATOM 1452 CA ALA A 94 15.975 -12.032 1.391 1.00 0.00 C ATOM 1453 C ALA A 94 16.146 -10.890 2.405 1.00 0.00 C ATOM 1454 O ALA A 94 15.959 -11.054 3.594 1.00 0.00 O ATOM 1455 CB ALA A 94 17.297 -12.270 0.660 1.00 0.00 C ATOM 0 H ALA A 94 14.891 -12.340 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 94 15.660 -12.921 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.070 -12.534 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.176 -13.083 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.589 -11.362 0.132 1.00 0.00 H new ATOM 1461 N GLY A 95 16.455 -9.719 1.910 1.00 0.00 N ATOM 1462 CA GLY A 95 16.593 -8.523 2.799 1.00 0.00 C ATOM 1463 C GLY A 95 15.198 -8.166 3.342 1.00 0.00 C ATOM 1464 O GLY A 95 14.319 -8.999 3.343 1.00 0.00 O ATOM 0 H GLY A 95 16.619 -9.537 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.278 -8.736 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.012 -7.683 2.245 1.00 0.00 H new ATOM 1468 N PRO A 96 15.005 -6.953 3.810 1.00 0.00 N ATOM 1469 CA PRO A 96 13.679 -6.562 4.332 1.00 0.00 C ATOM 1470 C PRO A 96 12.733 -6.325 3.130 1.00 0.00 C ATOM 1471 O PRO A 96 13.180 -6.324 2.000 1.00 0.00 O ATOM 1472 CB PRO A 96 13.949 -5.265 5.117 1.00 0.00 C ATOM 1473 CG PRO A 96 15.403 -4.811 4.762 1.00 0.00 C ATOM 1474 CD PRO A 96 16.051 -5.933 3.910 1.00 0.00 C ATOM 0 HA PRO A 96 13.206 -7.311 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.227 -4.494 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.849 -5.435 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.386 -3.872 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.982 -4.637 5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.346 -5.567 2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.949 -6.328 4.386 1.00 0.00 H new ATOM 1482 N LEU A 97 11.451 -6.106 3.325 1.00 0.00 N ATOM 1483 CA LEU A 97 10.569 -5.856 2.134 1.00 0.00 C ATOM 1484 C LEU A 97 10.781 -4.410 1.652 1.00 0.00 C ATOM 1485 O LEU A 97 11.081 -4.179 0.496 1.00 0.00 O ATOM 1486 CB LEU A 97 9.093 -6.083 2.497 1.00 0.00 C ATOM 1487 CG LEU A 97 8.929 -7.390 3.324 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.828 -7.065 4.824 1.00 0.00 C ATOM 1489 CD2 LEU A 97 7.653 -8.130 2.891 1.00 0.00 C ATOM 0 H LEU A 97 10.986 -6.089 4.233 1.00 0.00 H new ATOM 0 HA LEU A 97 10.831 -6.552 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.719 -5.234 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.494 -6.143 1.588 1.00 0.00 H new ATOM 0 HG LEU A 97 9.801 -8.019 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.714 -7.990 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.734 -6.552 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.965 -6.423 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.546 -9.044 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.787 -7.490 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.720 -8.382 1.833 1.00 0.00 H new ATOM 1501 N ARG A 98 10.592 -3.431 2.515 1.00 0.00 N ATOM 1502 CA ARG A 98 10.779 -1.992 2.102 1.00 0.00 C ATOM 1503 C ARG A 98 11.993 -1.883 1.163 1.00 0.00 C ATOM 1504 O ARG A 98 12.101 -0.996 0.347 1.00 0.00 O ATOM 1505 CB ARG A 98 11.042 -1.144 3.356 1.00 0.00 C ATOM 1506 CG ARG A 98 9.722 -0.856 4.079 1.00 0.00 C ATOM 1507 CD ARG A 98 10.010 -0.387 5.508 1.00 0.00 C ATOM 1508 NE ARG A 98 10.714 -1.466 6.255 1.00 0.00 N ATOM 1509 CZ ARG A 98 11.323 -1.192 7.376 1.00 0.00 C ATOM 1510 NH1 ARG A 98 11.318 0.028 7.840 1.00 0.00 N ATOM 1511 NH2 ARG A 98 11.937 -2.137 8.034 1.00 0.00 N ATOM 0 H ARG A 98 10.316 -3.565 3.488 1.00 0.00 H new ATOM 0 HA ARG A 98 9.885 -1.638 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.725 -1.669 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.526 -0.208 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.160 -0.092 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.103 -1.753 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.622 0.515 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.078 -0.130 6.012 1.00 0.00 H new ATOM 0 HE ARG A 98 10.720 -2.419 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.838 0.767 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.794 0.242 8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.941 -3.091 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.413 -1.922 8.910 1.00 0.00 H new ATOM 1525 N VAL A 99 12.875 -2.831 1.281 1.00 0.00 N ATOM 1526 CA VAL A 99 14.087 -2.879 0.414 1.00 0.00 C ATOM 1527 C VAL A 99 13.674 -3.427 -0.961 1.00 0.00 C ATOM 1528 O VAL A 99 14.078 -2.921 -1.989 1.00 0.00 O ATOM 1529 CB VAL A 99 15.153 -3.780 1.100 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.861 -4.693 0.084 1.00 0.00 C ATOM 1531 CG2 VAL A 99 16.208 -2.890 1.783 1.00 0.00 C ATOM 0 H VAL A 99 12.808 -3.593 1.956 1.00 0.00 H new ATOM 0 HA VAL A 99 14.521 -1.889 0.274 1.00 0.00 H new ATOM 0 HB VAL A 99 14.642 -4.407 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.599 -5.308 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.127 -5.337 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.360 -4.082 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.957 -3.518 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.690 -2.259 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.725 -2.262 2.532 1.00 0.00 H new ATOM 1541 N GLN A 100 12.872 -4.448 -0.981 1.00 0.00 N ATOM 1542 CA GLN A 100 12.425 -5.029 -2.278 1.00 0.00 C ATOM 1543 C GLN A 100 12.002 -3.921 -3.244 1.00 0.00 C ATOM 1544 O GLN A 100 12.497 -3.834 -4.350 1.00 0.00 O ATOM 1545 CB GLN A 100 11.223 -5.950 -2.042 1.00 0.00 C ATOM 1546 CG GLN A 100 11.701 -7.275 -1.466 1.00 0.00 C ATOM 1547 CD GLN A 100 10.494 -8.126 -1.068 1.00 0.00 C ATOM 1548 OE1 GLN A 100 9.566 -8.283 -1.837 1.00 0.00 O ATOM 1549 NE2 GLN A 100 10.466 -8.687 0.110 1.00 0.00 N ATOM 0 H GLN A 100 12.502 -4.911 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 100 13.256 -5.589 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.519 -5.477 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.692 -6.119 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.306 -7.805 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.336 -7.098 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.244 -8.556 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.666 -9.257 0.385 1.00 0.00 H new ATOM 1558 N ALA A 101 11.062 -3.094 -2.857 1.00 0.00 N ATOM 1559 CA ALA A 101 10.589 -2.023 -3.799 1.00 0.00 C ATOM 1560 C ALA A 101 11.459 -0.769 -3.686 1.00 0.00 C ATOM 1561 O ALA A 101 11.672 -0.082 -4.665 1.00 0.00 O ATOM 1562 CB ALA A 101 9.123 -1.685 -3.522 1.00 0.00 C ATOM 0 H ALA A 101 10.606 -3.110 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 101 10.676 -2.401 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.792 -0.908 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.512 -2.577 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.019 -1.329 -2.497 1.00 0.00 H new ATOM 1568 N ASN A 102 11.992 -0.461 -2.544 1.00 0.00 N ATOM 1569 CA ASN A 102 12.862 0.746 -2.470 1.00 0.00 C ATOM 1570 C ASN A 102 14.185 0.419 -3.169 1.00 0.00 C ATOM 1571 O ASN A 102 15.246 0.813 -2.725 1.00 0.00 O ATOM 1572 CB ASN A 102 13.133 1.118 -1.011 1.00 0.00 C ATOM 1573 CG ASN A 102 13.845 2.471 -0.954 1.00 0.00 C ATOM 1574 OD1 ASN A 102 14.353 2.974 -2.045 1.00 0.00 O flip ATOM 1575 ND2 ASN A 102 13.941 3.076 0.095 1.00 0.00 N flip ATOM 0 H ASN A 102 11.870 -0.977 -1.673 1.00 0.00 H new ATOM 0 HA ASN A 102 12.368 1.589 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.196 1.164 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.746 0.352 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 102 13.544 2.683 0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.419 3.977 0.122 1.00 0.00 H new ATOM 1582 N ASN A 103 14.127 -0.322 -4.256 1.00 0.00 N ATOM 1583 CA ASN A 103 15.372 -0.708 -4.991 1.00 0.00 C ATOM 1584 C ASN A 103 15.177 -0.468 -6.501 1.00 0.00 C ATOM 1585 O ASN A 103 14.730 -1.360 -7.195 1.00 0.00 O ATOM 1586 CB ASN A 103 15.627 -2.201 -4.764 1.00 0.00 C ATOM 1587 CG ASN A 103 16.905 -2.619 -5.494 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.039 -2.401 -6.682 1.00 0.00 O ATOM 1589 ND2 ASN A 103 17.856 -3.216 -4.829 1.00 0.00 N ATOM 0 H ASN A 103 13.262 -0.676 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 103 16.211 -0.113 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.721 -2.406 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.781 -2.784 -5.127 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.712 -3.500 -5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.744 -3.399 -3.832 1.00 0.00 H new ATOM 1596 N PRO A 104 15.505 0.716 -6.987 1.00 0.00 N ATOM 1597 CA PRO A 104 15.343 1.023 -8.422 1.00 0.00 C ATOM 1598 C PRO A 104 16.105 -0.004 -9.271 1.00 0.00 C ATOM 1599 O PRO A 104 15.763 -0.252 -10.409 1.00 0.00 O ATOM 1600 CB PRO A 104 15.912 2.451 -8.590 1.00 0.00 C ATOM 1601 CG PRO A 104 16.180 3.010 -7.164 1.00 0.00 C ATOM 1602 CD PRO A 104 16.055 1.828 -6.177 1.00 0.00 C ATOM 0 HA PRO A 104 14.305 0.974 -8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 104 16.832 2.432 -9.175 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.206 3.086 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.173 3.456 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.464 3.794 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.023 1.565 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.396 2.075 -5.345 1.00 0.00 H new ATOM 1610 N GLN A 105 17.128 -0.607 -8.731 1.00 0.00 N ATOM 1611 CA GLN A 105 17.889 -1.616 -9.520 1.00 0.00 C ATOM 1612 C GLN A 105 17.081 -2.916 -9.587 1.00 0.00 C ATOM 1613 O GLN A 105 17.403 -3.821 -10.331 1.00 0.00 O ATOM 1614 CB GLN A 105 19.240 -1.879 -8.850 1.00 0.00 C ATOM 1615 CG GLN A 105 19.986 -0.555 -8.672 1.00 0.00 C ATOM 1616 CD GLN A 105 21.383 -0.826 -8.110 1.00 0.00 C ATOM 1617 OE1 GLN A 105 21.814 -0.171 -7.182 1.00 0.00 O ATOM 1618 NE2 GLN A 105 22.114 -1.769 -8.638 1.00 0.00 N ATOM 0 H GLN A 105 17.468 -0.446 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 105 18.059 -1.241 -10.529 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.091 -2.358 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 105 19.832 -2.564 -9.457 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.062 -0.037 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.432 0.099 -7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.752 -2.319 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 105 23.047 -1.956 -8.272 1.00 0.00 H new ATOM 1627 N GLN A 106 16.029 -3.011 -8.816 1.00 0.00 N ATOM 1628 CA GLN A 106 15.186 -4.247 -8.830 1.00 0.00 C ATOM 1629 C GLN A 106 13.735 -3.865 -8.528 1.00 0.00 C ATOM 1630 O GLN A 106 13.262 -4.004 -7.417 1.00 0.00 O ATOM 1631 CB GLN A 106 15.690 -5.224 -7.765 1.00 0.00 C ATOM 1632 CG GLN A 106 17.166 -5.540 -8.019 1.00 0.00 C ATOM 1633 CD GLN A 106 17.599 -6.709 -7.132 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.014 -7.773 -7.180 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.607 -6.554 -6.318 1.00 0.00 N ATOM 0 H GLN A 106 15.715 -2.283 -8.174 1.00 0.00 H new ATOM 0 HA GLN A 106 15.246 -4.722 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.565 -4.792 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.101 -6.141 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.320 -5.790 -9.069 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.778 -4.663 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.098 -5.661 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 106 18.904 -7.326 -5.722 1.00 0.00 H new ATOM 1644 N GLN A 107 13.029 -3.371 -9.510 1.00 0.00 N ATOM 1645 CA GLN A 107 11.609 -2.960 -9.290 1.00 0.00 C ATOM 1646 C GLN A 107 10.667 -4.148 -9.542 1.00 0.00 C ATOM 1647 O GLN A 107 9.474 -4.057 -9.342 1.00 0.00 O ATOM 1648 CB GLN A 107 11.257 -1.826 -10.257 1.00 0.00 C ATOM 1649 CG GLN A 107 11.915 -0.529 -9.784 1.00 0.00 C ATOM 1650 CD GLN A 107 11.843 0.517 -10.898 1.00 0.00 C ATOM 1651 OE1 GLN A 107 11.075 0.302 -11.931 1.00 0.00 O flip ATOM 1652 NE2 GLN A 107 12.493 1.542 -10.828 1.00 0.00 N flip ATOM 0 H GLN A 107 13.375 -3.233 -10.460 1.00 0.00 H new ATOM 0 HA GLN A 107 11.492 -2.624 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.597 -2.073 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.176 -1.700 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN A 107 11.412 -0.159 -8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.954 -0.714 -9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 107 13.094 1.711 -10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.438 2.233 -11.576 1.00 0.00 H new ATOM 1661 N GLY A 108 11.179 -5.264 -9.982 1.00 0.00 N ATOM 1662 CA GLY A 108 10.282 -6.432 -10.232 1.00 0.00 C ATOM 1663 C GLY A 108 9.405 -6.661 -8.996 1.00 0.00 C ATOM 1664 O GLY A 108 8.196 -6.547 -9.041 1.00 0.00 O ATOM 0 H GLY A 108 12.168 -5.419 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.659 -6.248 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.874 -7.323 -10.444 1.00 0.00 H new ATOM 1668 N LEU A 109 10.021 -6.975 -7.895 1.00 0.00 N ATOM 1669 CA LEU A 109 9.259 -7.207 -6.637 1.00 0.00 C ATOM 1670 C LEU A 109 8.491 -5.950 -6.231 1.00 0.00 C ATOM 1671 O LEU A 109 7.842 -5.936 -5.216 1.00 0.00 O ATOM 1672 CB LEU A 109 10.215 -7.631 -5.520 1.00 0.00 C ATOM 1673 CG LEU A 109 10.616 -9.108 -5.691 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.480 -10.044 -5.254 1.00 0.00 C ATOM 1675 CD2 LEU A 109 10.988 -9.402 -7.153 1.00 0.00 C ATOM 0 H LEU A 109 11.032 -7.083 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 109 8.537 -8.006 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.105 -7.002 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.739 -7.486 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 109 11.483 -9.289 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.791 -11.080 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.245 -9.866 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.596 -9.851 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.268 -10.451 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.133 -9.192 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.827 -8.772 -7.449 1.00 0.00 H new ATOM 1687 N ARG A 110 8.495 -4.919 -7.033 1.00 0.00 N ATOM 1688 CA ARG A 110 7.674 -3.710 -6.687 1.00 0.00 C ATOM 1689 C ARG A 110 6.340 -3.876 -7.408 1.00 0.00 C ATOM 1690 O ARG A 110 5.369 -4.297 -6.813 1.00 0.00 O ATOM 1691 CB ARG A 110 8.359 -2.416 -7.141 1.00 0.00 C ATOM 1692 CG ARG A 110 7.541 -1.212 -6.669 1.00 0.00 C ATOM 1693 CD ARG A 110 8.334 0.071 -6.922 1.00 0.00 C ATOM 1694 NE ARG A 110 8.607 0.202 -8.382 1.00 0.00 N ATOM 1695 CZ ARG A 110 9.007 1.343 -8.874 1.00 0.00 C ATOM 1696 NH1 ARG A 110 9.179 2.369 -8.087 1.00 0.00 N ATOM 1697 NH2 ARG A 110 9.239 1.456 -10.153 1.00 0.00 N ATOM 0 H ARG A 110 9.023 -4.856 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 110 7.545 -3.635 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.369 -2.365 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.452 -2.403 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.589 -1.175 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.312 -1.308 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 110 7.773 0.935 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.271 0.049 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 110 8.481 -0.602 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.001 2.280 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.492 3.260 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 110 9.108 0.653 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.552 2.347 -10.538 1.00 0.00 H new ATOM 1711 N ARG A 111 6.281 -3.559 -8.676 1.00 0.00 N ATOM 1712 CA ARG A 111 5.000 -3.719 -9.443 1.00 0.00 C ATOM 1713 C ARG A 111 4.296 -5.013 -9.001 1.00 0.00 C ATOM 1714 O ARG A 111 3.083 -5.085 -8.968 1.00 0.00 O ATOM 1715 CB ARG A 111 5.315 -3.769 -10.941 1.00 0.00 C ATOM 1716 CG ARG A 111 6.655 -4.504 -11.146 1.00 0.00 C ATOM 1717 CD ARG A 111 6.724 -5.107 -12.548 1.00 0.00 C ATOM 1718 NE ARG A 111 6.876 -4.019 -13.555 1.00 0.00 N ATOM 1719 CZ ARG A 111 7.263 -4.301 -14.769 1.00 0.00 C ATOM 1720 NH1 ARG A 111 7.516 -5.537 -15.103 1.00 0.00 N ATOM 1721 NH2 ARG A 111 7.399 -3.347 -15.649 1.00 0.00 N ATOM 0 H ARG A 111 7.065 -3.195 -9.218 1.00 0.00 H new ATOM 0 HA ARG A 111 4.339 -2.875 -9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.517 -4.283 -11.477 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.373 -2.759 -11.348 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.483 -3.810 -11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.763 -5.291 -10.399 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.564 -5.799 -12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.820 -5.681 -12.752 1.00 0.00 H new ATOM 0 HE ARG A 111 6.677 -3.053 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.411 -6.283 -14.415 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.818 -5.757 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.203 -2.381 -15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.702 -3.568 -16.598 1.00 0.00 H new ATOM 1735 N GLU A 112 5.038 -6.018 -8.636 1.00 0.00 N ATOM 1736 CA GLU A 112 4.393 -7.278 -8.168 1.00 0.00 C ATOM 1737 C GLU A 112 3.906 -7.080 -6.727 1.00 0.00 C ATOM 1738 O GLU A 112 2.735 -7.211 -6.429 1.00 0.00 O ATOM 1739 CB GLU A 112 5.412 -8.416 -8.209 1.00 0.00 C ATOM 1740 CG GLU A 112 4.738 -9.720 -7.773 1.00 0.00 C ATOM 1741 CD GLU A 112 5.728 -10.878 -7.912 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.869 -11.382 -9.014 1.00 0.00 O ATOM 1743 OE2 GLU A 112 6.330 -11.240 -6.915 1.00 0.00 O ATOM 0 H GLU A 112 6.058 -6.024 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 112 3.550 -7.525 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.815 -8.521 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.252 -8.191 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.400 -9.639 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.855 -9.907 -8.384 1.00 0.00 H new ATOM 1750 N TYR A 113 4.804 -6.751 -5.838 1.00 0.00 N ATOM 1751 CA TYR A 113 4.413 -6.526 -4.414 1.00 0.00 C ATOM 1752 C TYR A 113 3.249 -5.534 -4.373 1.00 0.00 C ATOM 1753 O TYR A 113 2.534 -5.432 -3.395 1.00 0.00 O ATOM 1754 CB TYR A 113 5.617 -5.962 -3.656 1.00 0.00 C ATOM 1755 CG TYR A 113 5.255 -5.608 -2.236 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.402 -6.562 -1.222 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.809 -4.319 -1.926 1.00 0.00 C ATOM 1758 CE1 TYR A 113 5.096 -6.228 0.101 1.00 0.00 C ATOM 1759 CE2 TYR A 113 4.509 -3.983 -0.601 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.652 -4.939 0.413 1.00 0.00 C ATOM 1761 OH TYR A 113 4.361 -4.607 1.720 1.00 0.00 O ATOM 0 H TYR A 113 5.797 -6.628 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 113 4.102 -7.461 -3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.424 -6.694 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.990 -5.076 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.752 -7.555 -1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.696 -3.583 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 113 5.203 -6.966 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.167 -2.987 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 113 4.817 -3.772 1.955 1.00 0.00 H new ATOM 1771 N GLN A 114 3.027 -4.831 -5.451 1.00 0.00 N ATOM 1772 CA GLN A 114 1.892 -3.871 -5.503 1.00 0.00 C ATOM 1773 C GLN A 114 0.636 -4.640 -5.914 1.00 0.00 C ATOM 1774 O GLN A 114 -0.455 -4.365 -5.458 1.00 0.00 O ATOM 1775 CB GLN A 114 2.189 -2.778 -6.535 1.00 0.00 C ATOM 1776 CG GLN A 114 3.409 -1.959 -6.093 1.00 0.00 C ATOM 1777 CD GLN A 114 2.994 -0.931 -5.036 1.00 0.00 C ATOM 1778 OE1 GLN A 114 1.996 -1.099 -4.365 1.00 0.00 O ATOM 1779 NE2 GLN A 114 3.725 0.136 -4.859 1.00 0.00 N ATOM 0 H GLN A 114 3.588 -4.882 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 114 1.747 -3.404 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 114 2.376 -3.228 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 114 1.323 -2.125 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.174 -2.621 -5.688 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.848 -1.452 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.564 0.279 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.458 0.827 -4.158 1.00 0.00 H new ATOM 1788 N GLN A 115 0.791 -5.617 -6.767 1.00 0.00 N ATOM 1789 CA GLN A 115 -0.381 -6.423 -7.199 1.00 0.00 C ATOM 1790 C GLN A 115 -0.897 -7.202 -5.988 1.00 0.00 C ATOM 1791 O GLN A 115 -2.086 -7.374 -5.804 1.00 0.00 O ATOM 1792 CB GLN A 115 0.050 -7.389 -8.309 1.00 0.00 C ATOM 1793 CG GLN A 115 -1.180 -7.899 -9.061 1.00 0.00 C ATOM 1794 CD GLN A 115 -2.038 -8.752 -8.124 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -3.205 -8.308 -7.744 1.00 0.00 O flip ATOM 1796 NE2 GLN A 115 -1.643 -9.833 -7.735 1.00 0.00 N flip ATOM 0 H GLN A 115 1.682 -5.890 -7.183 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.171 -5.779 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.726 -6.885 -9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.599 -8.228 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.762 -7.058 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.872 -8.488 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -0.731 -10.180 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.223 -10.394 -7.111 1.00 0.00 H new ATOM 1805 N LEU A 116 -0.005 -7.640 -5.137 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.428 -8.367 -3.913 1.00 0.00 C ATOM 1807 C LEU A 116 -0.862 -7.331 -2.876 1.00 0.00 C ATOM 1808 O LEU A 116 -1.532 -7.640 -1.908 1.00 0.00 O ATOM 1809 CB LEU A 116 0.748 -9.183 -3.367 1.00 0.00 C ATOM 1810 CG LEU A 116 0.913 -10.461 -4.191 1.00 0.00 C ATOM 1811 CD1 LEU A 116 1.283 -10.107 -5.634 1.00 0.00 C ATOM 1812 CD2 LEU A 116 2.018 -11.324 -3.574 1.00 0.00 C ATOM 0 H LEU A 116 1.003 -7.522 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.250 -9.046 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.663 -8.592 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.575 -9.433 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.026 -11.014 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.399 -11.022 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.494 -9.496 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.220 -9.550 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.137 -12.236 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.956 -10.768 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.748 -11.583 -2.550 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.508 -6.092 -3.094 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.917 -5.018 -2.151 1.00 0.00 C ATOM 1826 C TRP A 117 -2.378 -4.645 -2.415 1.00 0.00 C ATOM 1827 O TRP A 117 -3.164 -4.501 -1.499 1.00 0.00 O ATOM 1828 CB TRP A 117 -0.044 -3.782 -2.369 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.374 -2.755 -1.333 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.421 -1.900 -1.393 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.322 -2.462 -0.088 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.410 -1.100 -0.264 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.355 -1.409 0.570 1.00 0.00 C ATOM 1834 CE3 TRP A 117 1.464 -3.002 0.526 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 0.087 -0.910 1.796 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 1.912 -2.503 1.760 1.00 0.00 C ATOM 1837 CH2 TRP A 117 1.224 -1.458 2.394 1.00 0.00 C ATOM 0 H TRP A 117 0.049 -5.780 -3.889 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.800 -5.373 -1.127 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.010 -4.052 -2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -0.211 -3.376 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -2.147 -1.850 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.097 -0.371 -0.072 1.00 0.00 H new ATOM 0 HE3 TRP A 117 2.001 -3.806 0.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -0.447 -0.105 2.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 2.791 -2.926 2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 117 1.573 -1.078 3.343 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.769 -4.539 -3.661 1.00 0.00 N ATOM 1849 CA LEU A 118 -4.188 -4.215 -3.979 1.00 0.00 C ATOM 1850 C LEU A 118 -5.077 -5.371 -3.532 1.00 0.00 C ATOM 1851 O LEU A 118 -6.146 -5.148 -2.999 1.00 0.00 O ATOM 1852 CB LEU A 118 -4.338 -3.957 -5.480 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.398 -2.813 -5.896 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -3.388 -2.692 -7.422 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.871 -1.484 -5.277 1.00 0.00 C ATOM 0 H LEU A 118 -2.163 -4.664 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.492 -3.313 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.100 -4.861 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.370 -3.698 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.392 -3.031 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.722 -1.881 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.038 -3.627 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.397 -2.481 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.197 -0.682 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.880 -1.260 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.871 -1.568 -4.190 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.648 -6.598 -3.656 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.502 -7.700 -3.125 1.00 0.00 C ATOM 1869 C ALA A 119 -5.759 -7.364 -1.656 1.00 0.00 C ATOM 1870 O ALA A 119 -6.858 -6.981 -1.307 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.800 -9.053 -3.261 1.00 0.00 C ATOM 0 H ALA A 119 -3.769 -6.881 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.435 -7.780 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.444 -9.839 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.590 -9.250 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.865 -9.036 -2.701 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.801 -7.496 -0.785 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.069 -7.154 0.642 1.00 0.00 C ATOM 1879 C ALA A 120 -5.757 -5.782 0.756 1.00 0.00 C ATOM 1880 O ALA A 120 -6.138 -5.391 1.834 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.756 -7.105 1.421 1.00 0.00 C ATOM 0 H ALA A 120 -3.856 -7.821 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.724 -7.922 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.960 -6.855 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.267 -8.078 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.103 -6.348 0.987 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.934 -5.052 -0.333 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.627 -3.713 -0.256 1.00 0.00 C ATOM 1889 C PHE A 121 -8.035 -3.812 -0.888 1.00 0.00 C ATOM 1890 O PHE A 121 -8.929 -3.070 -0.536 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.790 -2.646 -0.992 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.875 -1.314 -0.283 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.959 -0.464 -0.520 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -4.861 -0.928 0.602 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -7.031 0.772 0.128 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -4.933 0.308 1.252 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.018 1.159 1.015 1.00 0.00 C ATOM 0 H PHE A 121 -5.630 -5.325 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.729 -3.423 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.750 -2.968 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.146 -2.541 -2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.740 -0.762 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.023 -1.585 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.868 1.429 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.152 0.605 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.075 2.114 1.516 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.241 -4.719 -1.806 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.595 -4.865 -2.446 1.00 0.00 C ATOM 1909 C ALA A 122 -10.402 -5.933 -1.716 1.00 0.00 C ATOM 1910 O ALA A 122 -11.613 -5.845 -1.670 1.00 0.00 O ATOM 1911 CB ALA A 122 -9.466 -5.230 -3.921 1.00 0.00 C ATOM 0 H ALA A 122 -7.532 -5.370 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.112 -3.908 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.459 -5.329 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.916 -4.447 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.931 -6.175 -4.017 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.797 -6.881 -1.088 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.614 -7.858 -0.313 1.00 0.00 C ATOM 1919 C ALA A 123 -10.744 -7.283 1.097 1.00 0.00 C ATOM 1920 O ALA A 123 -10.853 -8.004 2.067 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.895 -9.208 -0.257 1.00 0.00 C ATOM 0 H ALA A 123 -8.788 -7.031 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.590 -8.014 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.497 -9.918 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.749 -9.585 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.927 -9.085 0.228 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.629 -5.973 1.222 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.629 -5.350 2.580 1.00 0.00 C ATOM 1929 C LEU A 124 -12.028 -5.378 3.272 1.00 0.00 C ATOM 1930 O LEU A 124 -12.136 -5.885 4.369 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.105 -3.885 2.476 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.679 -3.763 3.055 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.106 -2.370 2.749 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.692 -3.988 4.581 1.00 0.00 C ATOM 0 H LEU A 124 -10.536 -5.320 0.444 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.967 -5.946 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.106 -3.568 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.777 -3.216 3.013 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.053 -4.525 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.100 -2.292 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.069 -2.221 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.742 -1.608 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.678 -3.898 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.330 -3.241 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.077 -4.984 4.799 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.046 -4.764 2.633 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.417 -4.651 3.202 1.00 0.00 C ATOM 1948 C PRO A 125 -15.012 -6.007 3.532 1.00 0.00 C ATOM 1949 O PRO A 125 -16.156 -6.302 3.250 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.240 -3.907 2.140 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.360 -3.790 0.876 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.923 -4.150 1.295 1.00 0.00 C ATOM 0 HA PRO A 125 -14.409 -4.114 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.160 -4.448 1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.529 -2.920 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.714 -4.463 0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.402 -2.780 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.469 -4.842 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.289 -3.264 1.326 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.261 -6.800 4.187 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.789 -8.114 4.613 1.00 0.00 C ATOM 1962 C GLY A 126 -13.659 -9.013 5.083 1.00 0.00 C ATOM 1963 O GLY A 126 -13.879 -9.915 5.866 1.00 0.00 O ATOM 0 H GLY A 126 -13.296 -6.607 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.513 -7.979 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.317 -8.586 3.785 1.00 0.00 H new ATOM 1967 N SER A 127 -12.450 -8.804 4.627 1.00 0.00 N ATOM 1968 CA SER A 127 -11.318 -9.680 5.068 1.00 0.00 C ATOM 1969 C SER A 127 -10.365 -8.922 6.013 1.00 0.00 C ATOM 1970 O SER A 127 -9.400 -9.485 6.491 1.00 0.00 O ATOM 1971 CB SER A 127 -10.536 -10.115 3.819 1.00 0.00 C ATOM 1972 OG SER A 127 -9.956 -11.392 4.054 1.00 0.00 O ATOM 0 H SER A 127 -12.196 -8.067 3.970 1.00 0.00 H new ATOM 0 HA SER A 127 -11.720 -10.540 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.200 -10.157 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.759 -9.386 3.589 1.00 0.00 H new ATOM 0 HG SER A 127 -9.457 -11.676 3.260 1.00 0.00 H new ATOM 1978 N ALA A 128 -10.590 -7.655 6.274 1.00 0.00 N ATOM 1979 CA ALA A 128 -9.635 -6.921 7.169 1.00 0.00 C ATOM 1980 C ALA A 128 -9.993 -5.418 7.230 1.00 0.00 C ATOM 1981 O ALA A 128 -9.143 -4.553 7.146 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.220 -7.121 6.588 1.00 0.00 C ATOM 0 H ALA A 128 -11.373 -7.108 5.917 1.00 0.00 H new ATOM 0 HA ALA A 128 -9.689 -7.306 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.493 -6.601 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -7.983 -8.185 6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.182 -6.719 5.576 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.249 -5.106 7.335 1.00 0.00 N ATOM 1989 CA LYS A 129 -11.693 -3.688 7.360 1.00 0.00 C ATOM 1990 C LYS A 129 -12.773 -3.543 8.421 1.00 0.00 C ATOM 1991 O LYS A 129 -13.211 -4.501 9.027 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.291 -3.372 5.978 1.00 0.00 C ATOM 1993 CG LYS A 129 -12.469 -1.857 5.737 1.00 0.00 C ATOM 1994 CD LYS A 129 -12.934 -1.585 4.277 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.089 -0.471 3.643 1.00 0.00 C ATOM 1996 NZ LYS A 129 -11.999 0.682 4.583 1.00 0.00 N ATOM 0 H LYS A 129 -12.004 -5.788 7.406 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.867 -3.013 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.644 -3.785 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.258 -3.867 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.201 -1.455 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -11.528 -1.340 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -12.848 -2.497 3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.986 -1.300 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -11.091 -0.844 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.536 -0.152 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -11.786 1.549 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -12.905 0.795 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -11.243 0.507 5.275 1.00 0.00 H new ATOM 2010 N ASP A 130 -13.238 -2.360 8.598 1.00 0.00 N ATOM 2011 CA ASP A 130 -14.337 -2.091 9.552 1.00 0.00 C ATOM 2012 C ASP A 130 -15.053 -0.837 9.031 1.00 0.00 C ATOM 2013 O ASP A 130 -14.934 0.224 9.611 1.00 0.00 O ATOM 2014 CB ASP A 130 -13.769 -1.828 10.949 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.918 -1.700 11.952 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -15.759 -2.584 11.975 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -14.937 -0.721 12.679 1.00 0.00 O ATOM 0 H ASP A 130 -12.895 -1.534 8.107 1.00 0.00 H new ATOM 0 HA ASP A 130 -15.017 -2.939 9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.105 -2.641 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.173 -0.916 10.945 1.00 0.00 H new ATOM 2022 N PRO A 131 -15.730 -0.984 7.908 1.00 0.00 N ATOM 2023 CA PRO A 131 -16.414 0.142 7.240 1.00 0.00 C ATOM 2024 C PRO A 131 -17.824 0.282 7.798 1.00 0.00 C ATOM 2025 O PRO A 131 -18.315 1.350 8.104 1.00 0.00 O ATOM 2026 CB PRO A 131 -16.527 -0.343 5.780 1.00 0.00 C ATOM 2027 CG PRO A 131 -16.500 -1.895 5.834 1.00 0.00 C ATOM 2028 CD PRO A 131 -15.896 -2.281 7.203 1.00 0.00 C ATOM 0 HA PRO A 131 -15.896 1.093 7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -17.449 0.014 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -15.703 0.040 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -17.505 -2.304 5.725 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -15.901 -2.300 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -16.555 -2.952 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.942 -2.796 7.086 1.00 0.00 H new