USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 7 THR OG1 : rot 180:sc= 0.00442 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.65 (180deg=0.787) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 3 HIS : no HD1:sc= -0.948 K(o=-0.95,f=-0.035) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -168:sc= -3.03 (180deg=-3.65!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 13 SER OG : rot 180:sc= 0.117 USER MOD Single : A 17 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.15) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.89) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.791 K(o=-0.79,f=-1.5) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 49 SER OG : rot 180:sc= 0.145 USER MOD Single : A 54 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 62 TYR OH : rot -25:sc= 0.131 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.818 -0.097 -1.943 1.00 0.00 N ATOM 2 CA MET A 1 2.568 -0.394 -1.207 1.00 0.00 C ATOM 3 C MET A 1 1.363 -0.072 -2.079 1.00 0.00 C ATOM 4 O MET A 1 1.349 0.941 -2.774 1.00 0.00 O ATOM 5 CB MET A 1 2.511 0.413 0.091 1.00 0.00 C ATOM 6 CG MET A 1 3.178 -0.278 1.274 1.00 0.00 C ATOM 7 SD MET A 1 4.657 -1.209 0.810 1.00 0.00 S ATOM 8 CE MET A 1 5.945 -0.123 1.416 1.00 0.00 C ATOM 0 H1 MET A 1 4.619 -0.560 -1.468 1.00 0.00 H new ATOM 0 H2 MET A 1 3.740 -0.453 -2.917 1.00 0.00 H new ATOM 0 H3 MET A 1 3.974 0.931 -1.961 1.00 0.00 H new ATOM 0 HA MET A 1 2.551 -1.455 -0.957 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.990 1.379 -0.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.468 0.612 0.339 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.446 0.470 2.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.463 -0.954 1.743 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.920 -0.561 1.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.867 0.845 0.922 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.833 0.009 2.492 1.00 0.00 H new ATOM 20 N THR A 2 0.347 -0.920 -2.028 1.00 0.00 N ATOM 21 CA THR A 2 -0.802 -0.789 -2.913 1.00 0.00 C ATOM 22 C THR A 2 -1.911 0.047 -2.277 1.00 0.00 C ATOM 23 O THR A 2 -3.101 -0.208 -2.474 1.00 0.00 O ATOM 24 CB THR A 2 -1.349 -2.174 -3.305 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.492 -3.204 -2.778 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.434 -2.307 -4.817 1.00 0.00 C ATOM 0 H THR A 2 0.294 -1.708 -1.382 1.00 0.00 H new ATOM 0 HA THR A 2 -0.461 -0.273 -3.811 1.00 0.00 H new ATOM 0 HB THR A 2 -2.350 -2.282 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.845 -4.083 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.823 -3.292 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.099 -1.540 -5.213 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.441 -2.184 -5.249 1.00 0.00 H new ATOM 34 N HIS A 3 -1.514 1.053 -1.513 1.00 0.00 N ATOM 35 CA HIS A 3 -2.466 1.950 -0.886 1.00 0.00 C ATOM 36 C HIS A 3 -2.460 3.291 -1.603 1.00 0.00 C ATOM 37 O HIS A 3 -1.438 3.966 -1.651 1.00 0.00 O ATOM 38 CB HIS A 3 -2.126 2.141 0.594 1.00 0.00 C ATOM 39 CG HIS A 3 -3.327 2.267 1.480 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.386 3.133 2.547 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.522 1.632 1.451 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.559 3.021 3.141 1.00 0.00 C ATOM 43 NE2 HIS A 3 -5.269 2.118 2.494 1.00 0.00 N ATOM 0 H HIS A 3 -0.537 1.267 -1.313 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.462 1.512 -0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.525 1.296 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.510 3.034 0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.830 0.881 0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.883 3.575 4.010 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.218 1.828 2.730 1.00 0.00 H new ATOM 52 N LEU A 4 -3.590 3.667 -2.175 1.00 0.00 N ATOM 53 CA LEU A 4 -3.690 4.942 -2.866 1.00 0.00 C ATOM 54 C LEU A 4 -4.686 5.845 -2.161 1.00 0.00 C ATOM 55 O LEU A 4 -5.530 5.380 -1.397 1.00 0.00 O ATOM 56 CB LEU A 4 -4.096 4.757 -4.332 1.00 0.00 C ATOM 57 CG LEU A 4 -4.186 3.312 -4.820 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.315 3.173 -5.824 1.00 0.00 C ATOM 59 CD2 LEU A 4 -2.867 2.877 -5.440 1.00 0.00 C ATOM 0 H LEU A 4 -4.446 3.113 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.705 5.408 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.065 5.233 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.379 5.288 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.393 2.666 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.372 2.140 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.257 3.451 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.128 3.828 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.949 1.845 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.632 3.523 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.074 2.951 -4.696 1.00 0.00 H new ATOM 71 N LYS A 5 -4.580 7.132 -2.420 1.00 0.00 N ATOM 72 CA LYS A 5 -5.462 8.111 -1.820 1.00 0.00 C ATOM 73 C LYS A 5 -6.280 8.796 -2.902 1.00 0.00 C ATOM 74 O LYS A 5 -5.724 9.362 -3.848 1.00 0.00 O ATOM 75 CB LYS A 5 -4.641 9.141 -1.038 1.00 0.00 C ATOM 76 CG LYS A 5 -5.478 10.146 -0.265 1.00 0.00 C ATOM 77 CD LYS A 5 -4.600 11.166 0.438 1.00 0.00 C ATOM 78 CE LYS A 5 -4.695 12.529 -0.226 1.00 0.00 C ATOM 79 NZ LYS A 5 -4.555 13.633 0.759 1.00 0.00 N ATOM 0 H LYS A 5 -3.882 7.528 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.142 7.610 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.988 8.616 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.997 9.679 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.159 10.656 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.092 9.624 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.899 11.247 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.564 10.826 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.918 12.618 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.653 12.618 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.625 14.547 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.311 13.562 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.630 13.563 1.230 1.00 0.00 H new ATOM 93 N ILE A 6 -7.590 8.747 -2.770 1.00 0.00 N ATOM 94 CA ILE A 6 -8.465 9.366 -3.744 1.00 0.00 C ATOM 95 C ILE A 6 -8.724 10.814 -3.344 1.00 0.00 C ATOM 96 O ILE A 6 -9.165 11.102 -2.233 1.00 0.00 O ATOM 97 CB ILE A 6 -9.787 8.579 -3.917 1.00 0.00 C ATOM 98 CG1 ILE A 6 -10.725 9.310 -4.880 1.00 0.00 C ATOM 99 CG2 ILE A 6 -10.468 8.336 -2.579 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.069 8.510 -6.118 1.00 0.00 C ATOM 0 H ILE A 6 -8.072 8.285 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.970 9.349 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.543 7.606 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.646 9.563 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.262 10.249 -5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.393 7.781 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.805 7.760 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.694 9.292 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.737 9.092 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.156 8.279 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.562 7.583 -5.827 1.00 0.00 H new ATOM 112 N THR A 7 -8.422 11.723 -4.253 1.00 0.00 N ATOM 113 CA THR A 7 -8.402 13.141 -3.943 1.00 0.00 C ATOM 114 C THR A 7 -9.654 13.844 -4.449 1.00 0.00 C ATOM 115 O THR A 7 -10.100 14.838 -3.873 1.00 0.00 O ATOM 116 CB THR A 7 -7.155 13.791 -4.563 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.345 12.769 -5.164 1.00 0.00 O ATOM 118 CG2 THR A 7 -6.343 14.525 -3.510 1.00 0.00 C ATOM 0 H THR A 7 -8.185 11.502 -5.220 1.00 0.00 H new ATOM 0 HA THR A 7 -8.374 13.246 -2.858 1.00 0.00 H new ATOM 0 HB THR A 7 -7.474 14.513 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.548 13.176 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.466 14.976 -3.975 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.955 15.305 -3.057 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.024 13.822 -2.741 1.00 0.00 H new ATOM 126 N GLY A 8 -10.229 13.318 -5.518 1.00 0.00 N ATOM 127 CA GLY A 8 -11.383 13.950 -6.117 1.00 0.00 C ATOM 128 C GLY A 8 -12.675 13.238 -5.785 1.00 0.00 C ATOM 129 O GLY A 8 -13.683 13.422 -6.469 1.00 0.00 O ATOM 0 H GLY A 8 -9.917 12.465 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.444 14.983 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.256 13.978 -7.199 1.00 0.00 H new ATOM 133 N MET A 9 -12.656 12.428 -4.738 1.00 0.00 N ATOM 134 CA MET A 9 -13.839 11.672 -4.356 1.00 0.00 C ATOM 135 C MET A 9 -13.749 11.195 -2.914 1.00 0.00 C ATOM 136 O MET A 9 -12.967 10.307 -2.591 1.00 0.00 O ATOM 137 CB MET A 9 -14.024 10.473 -5.294 1.00 0.00 C ATOM 138 CG MET A 9 -15.176 9.561 -4.909 1.00 0.00 C ATOM 139 SD MET A 9 -14.768 7.815 -5.092 1.00 0.00 S ATOM 140 CE MET A 9 -14.152 7.448 -3.452 1.00 0.00 C ATOM 0 H MET A 9 -11.842 12.278 -4.142 1.00 0.00 H new ATOM 0 HA MET A 9 -14.702 12.333 -4.440 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.187 10.839 -6.308 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.103 9.891 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.460 9.758 -3.875 1.00 0.00 H new ATOM 0 HG3 MET A 9 -16.042 9.795 -5.528 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.662 6.474 -3.457 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.435 8.213 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 9 -14.983 7.433 -2.746 1.00 0.00 H new ATOM 150 N THR A 10 -14.529 11.819 -2.052 1.00 0.00 N ATOM 151 CA THR A 10 -14.698 11.344 -0.689 1.00 0.00 C ATOM 152 C THR A 10 -16.073 10.692 -0.539 1.00 0.00 C ATOM 153 O THR A 10 -16.395 10.106 0.482 1.00 0.00 O ATOM 154 CB THR A 10 -14.571 12.509 0.313 1.00 0.00 C ATOM 155 OG1 THR A 10 -14.543 13.757 -0.395 1.00 0.00 O ATOM 156 CG2 THR A 10 -13.309 12.369 1.155 1.00 0.00 C ATOM 0 H THR A 10 -15.060 12.662 -2.272 1.00 0.00 H new ATOM 0 HA THR A 10 -13.918 10.613 -0.477 1.00 0.00 H new ATOM 0 HB THR A 10 -15.434 12.484 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.464 14.495 0.245 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.243 13.203 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.345 11.432 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.435 12.371 0.504 1.00 0.00 H new ATOM 164 N CYS A 11 -16.912 10.916 -1.535 1.00 0.00 N ATOM 165 CA CYS A 11 -18.254 10.343 -1.601 1.00 0.00 C ATOM 166 C CYS A 11 -18.324 8.821 -1.722 1.00 0.00 C ATOM 167 O CYS A 11 -17.337 8.143 -1.995 1.00 0.00 O ATOM 168 CB CYS A 11 -19.026 11.016 -2.723 1.00 0.00 C ATOM 169 SG CYS A 11 -18.092 12.334 -3.542 1.00 0.00 S ATOM 0 H CYS A 11 -16.682 11.508 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 11 -18.711 10.544 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.308 10.266 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.951 11.431 -2.321 1.00 0.00 H new ATOM 174 N ASP A 12 -19.564 8.333 -1.606 1.00 0.00 N ATOM 175 CA ASP A 12 -19.872 6.920 -1.397 1.00 0.00 C ATOM 176 C ASP A 12 -19.960 6.124 -2.702 1.00 0.00 C ATOM 177 O ASP A 12 -19.046 5.379 -3.042 1.00 0.00 O ATOM 178 CB ASP A 12 -21.207 6.821 -0.649 1.00 0.00 C ATOM 179 CG ASP A 12 -21.482 5.446 -0.071 1.00 0.00 C ATOM 180 OD1 ASP A 12 -21.780 4.523 -0.856 1.00 0.00 O ATOM 181 OD2 ASP A 12 -21.354 5.271 1.156 1.00 0.00 O ATOM 0 H ASP A 12 -20.395 8.923 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.056 6.485 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.216 7.553 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.015 7.087 -1.330 1.00 0.00 H new ATOM 186 N SER A 13 -21.059 6.306 -3.431 1.00 0.00 N ATOM 187 CA SER A 13 -21.412 5.447 -4.567 1.00 0.00 C ATOM 188 C SER A 13 -20.363 5.448 -5.678 1.00 0.00 C ATOM 189 O SER A 13 -20.287 4.504 -6.468 1.00 0.00 O ATOM 190 CB SER A 13 -22.758 5.895 -5.119 1.00 0.00 C ATOM 191 OG SER A 13 -23.461 6.658 -4.148 1.00 0.00 O ATOM 0 H SER A 13 -21.732 7.052 -3.254 1.00 0.00 H new ATOM 0 HA SER A 13 -21.462 4.422 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.609 6.490 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.349 5.025 -5.405 1.00 0.00 H new ATOM 0 HG SER A 13 -24.324 6.941 -4.516 1.00 0.00 H new ATOM 197 N CYS A 14 -19.562 6.497 -5.747 1.00 0.00 N ATOM 198 CA CYS A 14 -18.491 6.553 -6.727 1.00 0.00 C ATOM 199 C CYS A 14 -17.462 5.462 -6.444 1.00 0.00 C ATOM 200 O CYS A 14 -16.921 4.849 -7.369 1.00 0.00 O ATOM 201 CB CYS A 14 -17.839 7.930 -6.716 1.00 0.00 C ATOM 202 SG CYS A 14 -19.010 9.288 -6.940 1.00 0.00 S ATOM 0 H CYS A 14 -19.631 7.315 -5.142 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.909 6.381 -7.719 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.314 8.066 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.089 7.974 -7.506 1.00 0.00 H new ATOM 207 N ALA A 15 -17.231 5.192 -5.159 1.00 0.00 N ATOM 208 CA ALA A 15 -16.324 4.131 -4.731 1.00 0.00 C ATOM 209 C ALA A 15 -16.979 2.760 -4.892 1.00 0.00 C ATOM 210 O ALA A 15 -17.006 1.949 -3.969 1.00 0.00 O ATOM 211 CB ALA A 15 -15.886 4.351 -3.291 1.00 0.00 C ATOM 0 H ALA A 15 -17.666 5.701 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.439 4.161 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.210 3.550 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.373 5.309 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.761 4.352 -2.641 1.00 0.00 H new ATOM 217 N ALA A 16 -17.485 2.516 -6.087 1.00 0.00 N ATOM 218 CA ALA A 16 -18.140 1.266 -6.427 1.00 0.00 C ATOM 219 C ALA A 16 -18.178 1.128 -7.939 1.00 0.00 C ATOM 220 O ALA A 16 -17.902 0.060 -8.481 1.00 0.00 O ATOM 221 CB ALA A 16 -19.547 1.211 -5.844 1.00 0.00 C ATOM 0 H ALA A 16 -17.453 3.186 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.578 0.436 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.016 0.264 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.495 1.294 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.139 2.035 -6.243 1.00 0.00 H new ATOM 227 N HIS A 17 -18.486 2.225 -8.621 1.00 0.00 N ATOM 228 CA HIS A 17 -18.351 2.272 -10.072 1.00 0.00 C ATOM 229 C HIS A 17 -16.872 2.307 -10.438 1.00 0.00 C ATOM 230 O HIS A 17 -16.438 1.695 -11.416 1.00 0.00 O ATOM 231 CB HIS A 17 -19.086 3.480 -10.659 1.00 0.00 C ATOM 232 CG HIS A 17 -19.722 3.201 -11.991 1.00 0.00 C ATOM 233 ND1 HIS A 17 -20.872 3.823 -12.419 1.00 0.00 N ATOM 234 CD2 HIS A 17 -19.365 2.355 -12.986 1.00 0.00 C ATOM 235 CE1 HIS A 17 -21.194 3.372 -13.616 1.00 0.00 C ATOM 236 NE2 HIS A 17 -20.294 2.481 -13.987 1.00 0.00 N ATOM 0 H HIS A 17 -18.828 3.087 -8.197 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.807 1.378 -10.498 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.855 3.804 -9.958 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.384 4.307 -10.766 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.506 1.701 -12.991 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.051 3.681 -14.196 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -20.290 1.971 -14.870 1.00 0.00 H new ATOM 245 N VAL A 18 -16.099 3.012 -9.620 1.00 0.00 N ATOM 246 CA VAL A 18 -14.650 3.020 -9.753 1.00 0.00 C ATOM 247 C VAL A 18 -14.112 1.627 -9.445 1.00 0.00 C ATOM 248 O VAL A 18 -13.194 1.142 -10.103 1.00 0.00 O ATOM 249 CB VAL A 18 -13.995 4.059 -8.813 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.478 3.945 -8.843 1.00 0.00 C ATOM 251 CG2 VAL A 18 -14.427 5.468 -9.189 1.00 0.00 C ATOM 0 H VAL A 18 -16.454 3.587 -8.856 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.401 3.301 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.331 3.850 -7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.044 4.687 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.182 2.947 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.120 4.119 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.956 6.185 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.125 5.680 -10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.511 5.551 -9.106 1.00 0.00 H new ATOM 261 N LYS A 19 -14.722 0.975 -8.458 1.00 0.00 N ATOM 262 CA LYS A 19 -14.379 -0.401 -8.121 1.00 0.00 C ATOM 263 C LYS A 19 -14.687 -1.316 -9.304 1.00 0.00 C ATOM 264 O LYS A 19 -13.931 -2.235 -9.600 1.00 0.00 O ATOM 265 CB LYS A 19 -15.159 -0.860 -6.885 1.00 0.00 C ATOM 266 CG LYS A 19 -14.720 -2.215 -6.346 1.00 0.00 C ATOM 267 CD LYS A 19 -15.800 -3.270 -6.532 1.00 0.00 C ATOM 268 CE LYS A 19 -15.999 -4.095 -5.268 1.00 0.00 C ATOM 269 NZ LYS A 19 -16.230 -5.533 -5.570 1.00 0.00 N ATOM 0 H LYS A 19 -15.457 1.380 -7.878 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.314 -0.452 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.047 -0.114 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.220 -0.905 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.810 -2.532 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.478 -2.125 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.739 -2.787 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.529 -3.928 -7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.122 -3.995 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.848 -3.701 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.310 -6.066 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.109 -5.636 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.433 -5.904 -6.125 1.00 0.00 H new ATOM 283 N GLU A 20 -15.805 -1.050 -9.975 1.00 0.00 N ATOM 284 CA GLU A 20 -16.179 -1.793 -11.173 1.00 0.00 C ATOM 285 C GLU A 20 -15.126 -1.621 -12.261 1.00 0.00 C ATOM 286 O GLU A 20 -14.697 -2.595 -12.882 1.00 0.00 O ATOM 287 CB GLU A 20 -17.539 -1.322 -11.690 1.00 0.00 C ATOM 288 CG GLU A 20 -18.636 -2.363 -11.553 1.00 0.00 C ATOM 289 CD GLU A 20 -19.541 -2.413 -12.766 1.00 0.00 C ATOM 290 OE1 GLU A 20 -19.154 -1.889 -13.831 1.00 0.00 O ATOM 291 OE2 GLU A 20 -20.650 -2.978 -12.660 1.00 0.00 O ATOM 0 H GLU A 20 -16.469 -0.323 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.245 -2.849 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.833 -0.423 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.443 -1.044 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.185 -3.343 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.232 -2.144 -10.667 1.00 0.00 H new ATOM 298 N ALA A 21 -14.704 -0.377 -12.475 1.00 0.00 N ATOM 299 CA ALA A 21 -13.675 -0.072 -13.462 1.00 0.00 C ATOM 300 C ALA A 21 -12.341 -0.707 -13.077 1.00 0.00 C ATOM 301 O ALA A 21 -11.582 -1.150 -13.934 1.00 0.00 O ATOM 302 CB ALA A 21 -13.524 1.434 -13.615 1.00 0.00 C ATOM 0 H ALA A 21 -15.061 0.438 -11.976 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.984 -0.493 -14.419 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.753 1.649 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.471 1.863 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.240 1.870 -12.657 1.00 0.00 H new ATOM 308 N LEU A 22 -12.057 -0.738 -11.786 1.00 0.00 N ATOM 309 CA LEU A 22 -10.860 -1.394 -11.284 1.00 0.00 C ATOM 310 C LEU A 22 -10.935 -2.900 -11.519 1.00 0.00 C ATOM 311 O LEU A 22 -10.002 -3.504 -12.041 1.00 0.00 O ATOM 312 CB LEU A 22 -10.682 -1.100 -9.792 1.00 0.00 C ATOM 313 CG LEU A 22 -9.677 0.006 -9.443 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.451 0.945 -10.622 1.00 0.00 C ATOM 315 CD2 LEU A 22 -10.160 0.786 -8.231 1.00 0.00 C ATOM 0 H LEU A 22 -12.641 -0.315 -11.064 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.999 -1.002 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.652 -0.827 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.370 -2.018 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.723 -0.467 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.734 1.716 -10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.062 0.379 -11.468 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.395 1.412 -10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.440 1.568 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.127 1.238 -8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.260 0.112 -7.380 1.00 0.00 H new ATOM 327 N GLU A 23 -12.066 -3.491 -11.152 1.00 0.00 N ATOM 328 CA GLU A 23 -12.256 -4.933 -11.246 1.00 0.00 C ATOM 329 C GLU A 23 -12.410 -5.389 -12.695 1.00 0.00 C ATOM 330 O GLU A 23 -12.254 -6.573 -13.003 1.00 0.00 O ATOM 331 CB GLU A 23 -13.479 -5.354 -10.437 1.00 0.00 C ATOM 332 CG GLU A 23 -13.166 -5.685 -8.988 1.00 0.00 C ATOM 333 CD GLU A 23 -14.261 -6.492 -8.330 1.00 0.00 C ATOM 334 OE1 GLU A 23 -15.087 -7.087 -9.055 1.00 0.00 O ATOM 335 OE2 GLU A 23 -14.307 -6.529 -7.086 1.00 0.00 O ATOM 0 H GLU A 23 -12.873 -2.987 -10.783 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.366 -5.411 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.217 -4.552 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.935 -6.224 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.230 -6.241 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.016 -4.760 -8.431 1.00 0.00 H new ATOM 342 N LYS A 24 -12.720 -4.455 -13.590 1.00 0.00 N ATOM 343 CA LYS A 24 -12.808 -4.778 -15.009 1.00 0.00 C ATOM 344 C LYS A 24 -11.407 -4.975 -15.582 1.00 0.00 C ATOM 345 O LYS A 24 -11.237 -5.543 -16.663 1.00 0.00 O ATOM 346 CB LYS A 24 -13.574 -3.689 -15.781 1.00 0.00 C ATOM 347 CG LYS A 24 -12.715 -2.520 -16.238 1.00 0.00 C ATOM 348 CD LYS A 24 -12.488 -2.538 -17.741 1.00 0.00 C ATOM 349 CE LYS A 24 -11.044 -2.206 -18.083 1.00 0.00 C ATOM 350 NZ LYS A 24 -10.871 -1.883 -19.523 1.00 0.00 N ATOM 0 H LYS A 24 -12.912 -3.480 -13.361 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.366 -5.708 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.044 -4.142 -16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.376 -3.309 -15.149 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.195 -1.584 -15.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.754 -2.553 -15.725 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.742 -3.521 -18.138 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.153 -1.819 -18.220 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.714 -1.360 -17.480 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.407 -3.051 -17.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.872 -1.663 -19.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.161 -2.699 -20.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.459 -1.061 -19.767 1.00 0.00 H new ATOM 364 N VAL A 25 -10.407 -4.509 -14.840 1.00 0.00 N ATOM 365 CA VAL A 25 -9.018 -4.732 -15.195 1.00 0.00 C ATOM 366 C VAL A 25 -8.604 -6.128 -14.739 1.00 0.00 C ATOM 367 O VAL A 25 -8.776 -6.481 -13.570 1.00 0.00 O ATOM 368 CB VAL A 25 -8.095 -3.672 -14.548 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.630 -3.986 -14.809 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.443 -2.282 -15.057 1.00 0.00 C ATOM 0 H VAL A 25 -10.539 -3.971 -13.984 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.917 -4.646 -16.277 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.256 -3.698 -13.470 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.006 -3.224 -14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.387 -4.962 -14.389 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.446 -3.998 -15.883 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.784 -1.549 -14.592 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.316 -2.249 -16.139 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.478 -2.051 -14.805 1.00 0.00 H new ATOM 380 N PRO A 26 -8.089 -6.957 -15.659 1.00 0.00 N ATOM 381 CA PRO A 26 -7.702 -8.333 -15.355 1.00 0.00 C ATOM 382 C PRO A 26 -6.414 -8.411 -14.544 1.00 0.00 C ATOM 383 O PRO A 26 -5.333 -8.677 -15.073 1.00 0.00 O ATOM 384 CB PRO A 26 -7.518 -8.986 -16.735 1.00 0.00 C ATOM 385 CG PRO A 26 -7.990 -7.975 -17.733 1.00 0.00 C ATOM 386 CD PRO A 26 -7.859 -6.634 -17.069 1.00 0.00 C ATOM 0 HA PRO A 26 -8.452 -8.832 -14.741 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.474 -9.247 -16.907 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -8.094 -9.908 -16.811 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.392 -8.018 -18.643 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.023 -8.167 -18.022 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.874 -6.196 -17.230 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.591 -5.920 -17.447 1.00 0.00 H new ATOM 394 N GLY A 27 -6.553 -8.164 -13.260 1.00 0.00 N ATOM 395 CA GLY A 27 -5.438 -8.223 -12.347 1.00 0.00 C ATOM 396 C GLY A 27 -5.830 -7.624 -11.023 1.00 0.00 C ATOM 397 O GLY A 27 -5.059 -6.898 -10.399 1.00 0.00 O ATOM 0 H GLY A 27 -7.441 -7.917 -12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.123 -9.257 -12.209 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.587 -7.684 -12.763 1.00 0.00 H new ATOM 401 N VAL A 28 -7.043 -7.947 -10.598 1.00 0.00 N ATOM 402 CA VAL A 28 -7.674 -7.307 -9.457 1.00 0.00 C ATOM 403 C VAL A 28 -8.523 -8.326 -8.700 1.00 0.00 C ATOM 404 O VAL A 28 -9.451 -8.911 -9.264 1.00 0.00 O ATOM 405 CB VAL A 28 -8.569 -6.135 -9.928 1.00 0.00 C ATOM 406 CG1 VAL A 28 -9.578 -5.741 -8.855 1.00 0.00 C ATOM 407 CG2 VAL A 28 -7.723 -4.935 -10.328 1.00 0.00 C ATOM 0 H VAL A 28 -7.619 -8.665 -11.039 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.898 -6.918 -8.798 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.123 -6.475 -10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.191 -4.916 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.217 -6.594 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.049 -5.432 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.374 -4.124 -10.655 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.133 -4.604 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.055 -5.216 -11.143 1.00 0.00 H new ATOM 417 N GLN A 29 -8.198 -8.560 -7.434 1.00 0.00 N ATOM 418 CA GLN A 29 -8.945 -9.525 -6.637 1.00 0.00 C ATOM 419 C GLN A 29 -9.862 -8.826 -5.633 1.00 0.00 C ATOM 420 O GLN A 29 -10.939 -9.334 -5.320 1.00 0.00 O ATOM 421 CB GLN A 29 -7.993 -10.504 -5.934 1.00 0.00 C ATOM 422 CG GLN A 29 -7.326 -9.947 -4.687 1.00 0.00 C ATOM 423 CD GLN A 29 -7.024 -11.016 -3.660 1.00 0.00 C ATOM 424 OE1 GLN A 29 -7.828 -11.922 -3.434 1.00 0.00 O ATOM 425 NE2 GLN A 29 -5.859 -10.927 -3.039 1.00 0.00 N ATOM 0 H GLN A 29 -7.432 -8.101 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.579 -10.099 -7.313 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.549 -11.401 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.220 -10.809 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.399 -9.447 -4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.973 -9.192 -4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.222 -10.160 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.597 -11.625 -2.343 1.00 0.00 H new ATOM 434 N SER A 30 -9.449 -7.653 -5.152 1.00 0.00 N ATOM 435 CA SER A 30 -10.228 -6.908 -4.166 1.00 0.00 C ATOM 436 C SER A 30 -9.928 -5.413 -4.252 1.00 0.00 C ATOM 437 O SER A 30 -8.819 -5.011 -4.612 1.00 0.00 O ATOM 438 CB SER A 30 -9.920 -7.410 -2.750 1.00 0.00 C ATOM 439 OG SER A 30 -10.253 -8.781 -2.595 1.00 0.00 O ATOM 0 H SER A 30 -8.579 -7.199 -5.430 1.00 0.00 H new ATOM 0 HA SER A 30 -11.284 -7.069 -4.384 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.861 -7.266 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.476 -6.816 -2.024 1.00 0.00 H new ATOM 0 HG SER A 30 -10.042 -9.068 -1.682 1.00 0.00 H new ATOM 445 N ALA A 31 -10.920 -4.597 -3.923 1.00 0.00 N ATOM 446 CA ALA A 31 -10.763 -3.150 -3.928 1.00 0.00 C ATOM 447 C ALA A 31 -11.515 -2.520 -2.758 1.00 0.00 C ATOM 448 O ALA A 31 -12.733 -2.349 -2.806 1.00 0.00 O ATOM 449 CB ALA A 31 -11.247 -2.564 -5.248 1.00 0.00 C ATOM 0 H ALA A 31 -11.849 -4.916 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.703 -2.923 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.122 -1.481 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.666 -2.985 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.301 -2.805 -5.389 1.00 0.00 H new ATOM 455 N LEU A 32 -10.779 -2.178 -1.711 1.00 0.00 N ATOM 456 CA LEU A 32 -11.368 -1.612 -0.505 1.00 0.00 C ATOM 457 C LEU A 32 -11.204 -0.096 -0.494 1.00 0.00 C ATOM 458 O LEU A 32 -10.255 0.435 0.083 1.00 0.00 O ATOM 459 CB LEU A 32 -10.718 -2.221 0.743 1.00 0.00 C ATOM 460 CG LEU A 32 -11.013 -3.706 0.976 1.00 0.00 C ATOM 461 CD1 LEU A 32 -9.877 -4.568 0.447 1.00 0.00 C ATOM 462 CD2 LEU A 32 -11.242 -3.977 2.456 1.00 0.00 C ATOM 0 H LEU A 32 -9.765 -2.283 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.432 -1.849 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.638 -2.089 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.051 -1.660 1.616 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.921 -3.965 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.106 -5.619 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.757 -4.396 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.952 -4.307 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.450 -5.037 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.350 -3.700 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.090 -3.388 2.807 1.00 0.00 H new ATOM 474 N VAL A 33 -12.124 0.591 -1.148 1.00 0.00 N ATOM 475 CA VAL A 33 -12.079 2.044 -1.230 1.00 0.00 C ATOM 476 C VAL A 33 -12.987 2.677 -0.178 1.00 0.00 C ATOM 477 O VAL A 33 -14.199 2.459 -0.178 1.00 0.00 O ATOM 478 CB VAL A 33 -12.485 2.546 -2.627 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.167 4.029 -2.781 1.00 0.00 C ATOM 480 CG2 VAL A 33 -11.795 1.735 -3.714 1.00 0.00 C ATOM 0 H VAL A 33 -12.915 0.166 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.048 2.342 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.562 2.414 -2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.462 4.363 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.714 4.598 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.097 4.187 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.097 2.108 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.714 1.829 -3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.079 0.687 -3.621 1.00 0.00 H new ATOM 490 N SER A 34 -12.393 3.452 0.716 1.00 0.00 N ATOM 491 CA SER A 34 -13.132 4.088 1.795 1.00 0.00 C ATOM 492 C SER A 34 -13.402 5.558 1.482 1.00 0.00 C ATOM 493 O SER A 34 -12.472 6.368 1.371 1.00 0.00 O ATOM 494 CB SER A 34 -12.353 3.944 3.101 1.00 0.00 C ATOM 495 OG SER A 34 -11.669 2.700 3.137 1.00 0.00 O ATOM 0 H SER A 34 -11.394 3.657 0.715 1.00 0.00 H new ATOM 0 HA SER A 34 -14.098 3.593 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.639 4.762 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.035 4.015 3.948 1.00 0.00 H new ATOM 0 HG SER A 34 -11.173 2.623 3.979 1.00 0.00 H new ATOM 501 N TYR A 35 -14.685 5.889 1.342 1.00 0.00 N ATOM 502 CA TYR A 35 -15.111 7.242 0.986 1.00 0.00 C ATOM 503 C TYR A 35 -14.758 8.273 2.073 1.00 0.00 C ATOM 504 O TYR A 35 -14.040 9.229 1.787 1.00 0.00 O ATOM 505 CB TYR A 35 -16.625 7.286 0.667 1.00 0.00 C ATOM 506 CG TYR A 35 -17.312 5.936 0.742 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.315 5.072 -0.347 1.00 0.00 C ATOM 508 CD2 TYR A 35 -17.965 5.530 1.896 1.00 0.00 C ATOM 509 CE1 TYR A 35 -17.945 3.844 -0.282 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.593 4.305 1.969 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.584 3.469 0.878 1.00 0.00 C ATOM 512 OH TYR A 35 -19.222 2.251 0.949 1.00 0.00 O ATOM 0 H TYR A 35 -15.454 5.232 1.471 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.558 7.516 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.112 7.969 1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.763 7.697 -0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.817 5.365 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.982 6.186 2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.936 3.183 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.090 4.004 2.879 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.621 2.142 1.837 1.00 0.00 H new ATOM 522 N PRO A 36 -15.194 8.088 3.345 1.00 0.00 N ATOM 523 CA PRO A 36 -15.048 9.128 4.376 1.00 0.00 C ATOM 524 C PRO A 36 -13.613 9.300 4.872 1.00 0.00 C ATOM 525 O PRO A 36 -13.363 10.027 5.834 1.00 0.00 O ATOM 526 CB PRO A 36 -15.951 8.635 5.506 1.00 0.00 C ATOM 527 CG PRO A 36 -15.958 7.156 5.364 1.00 0.00 C ATOM 528 CD PRO A 36 -15.840 6.877 3.891 1.00 0.00 C ATOM 0 HA PRO A 36 -15.315 10.110 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.567 8.938 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.957 9.046 5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.130 6.708 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.876 6.730 5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.242 5.986 3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.817 6.708 3.438 1.00 0.00 H new ATOM 536 N LYS A 37 -12.674 8.651 4.201 1.00 0.00 N ATOM 537 CA LYS A 37 -11.268 8.761 4.557 1.00 0.00 C ATOM 538 C LYS A 37 -10.429 9.014 3.313 1.00 0.00 C ATOM 539 O LYS A 37 -9.232 9.287 3.404 1.00 0.00 O ATOM 540 CB LYS A 37 -10.792 7.490 5.261 1.00 0.00 C ATOM 541 CG LYS A 37 -11.183 7.425 6.731 1.00 0.00 C ATOM 542 CD LYS A 37 -9.991 7.671 7.634 1.00 0.00 C ATOM 543 CE LYS A 37 -9.429 6.368 8.176 1.00 0.00 C ATOM 544 NZ LYS A 37 -8.572 6.589 9.369 1.00 0.00 N ATOM 0 H LYS A 37 -12.861 8.041 3.405 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.150 9.602 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.204 6.623 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.707 7.424 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.955 8.166 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.612 6.448 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.216 8.201 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.287 8.314 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.249 5.699 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.848 5.872 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.208 5.676 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.775 7.207 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.132 7.039 10.120 1.00 0.00 H new ATOM 558 N GLY A 38 -11.071 8.920 2.152 1.00 0.00 N ATOM 559 CA GLY A 38 -10.406 9.196 0.895 1.00 0.00 C ATOM 560 C GLY A 38 -9.231 8.278 0.630 1.00 0.00 C ATOM 561 O GLY A 38 -8.253 8.683 0.008 1.00 0.00 O ATOM 0 H GLY A 38 -12.052 8.654 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.125 9.100 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.059 10.229 0.893 1.00 0.00 H new ATOM 565 N THR A 39 -9.312 7.040 1.089 1.00 0.00 N ATOM 566 CA THR A 39 -8.213 6.112 0.893 1.00 0.00 C ATOM 567 C THR A 39 -8.694 4.805 0.276 1.00 0.00 C ATOM 568 O THR A 39 -9.723 4.258 0.669 1.00 0.00 O ATOM 569 CB THR A 39 -7.471 5.821 2.210 1.00 0.00 C ATOM 570 OG1 THR A 39 -7.949 6.691 3.247 1.00 0.00 O ATOM 571 CG2 THR A 39 -5.971 6.018 2.035 1.00 0.00 C ATOM 0 H THR A 39 -10.114 6.660 1.592 1.00 0.00 H new ATOM 0 HA THR A 39 -7.518 6.592 0.204 1.00 0.00 H new ATOM 0 HB THR A 39 -7.662 4.784 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.473 6.498 4.081 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.464 5.808 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.602 5.340 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.771 7.048 1.738 1.00 0.00 H new ATOM 579 N ALA A 40 -7.945 4.319 -0.703 1.00 0.00 N ATOM 580 CA ALA A 40 -8.297 3.100 -1.408 1.00 0.00 C ATOM 581 C ALA A 40 -7.252 2.018 -1.173 1.00 0.00 C ATOM 582 O ALA A 40 -6.052 2.244 -1.353 1.00 0.00 O ATOM 583 CB ALA A 40 -8.446 3.375 -2.897 1.00 0.00 C ATOM 0 H ALA A 40 -7.083 4.756 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.251 2.744 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.710 2.452 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.231 4.115 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.504 3.755 -3.293 1.00 0.00 H new ATOM 589 N GLN A 41 -7.712 0.850 -0.762 1.00 0.00 N ATOM 590 CA GLN A 41 -6.839 -0.296 -0.559 1.00 0.00 C ATOM 591 C GLN A 41 -7.084 -1.326 -1.653 1.00 0.00 C ATOM 592 O GLN A 41 -8.096 -2.025 -1.644 1.00 0.00 O ATOM 593 CB GLN A 41 -7.087 -0.918 0.818 1.00 0.00 C ATOM 594 CG GLN A 41 -5.988 -1.871 1.261 1.00 0.00 C ATOM 595 CD GLN A 41 -6.480 -3.297 1.405 1.00 0.00 C ATOM 596 OE1 GLN A 41 -7.215 -3.620 2.338 1.00 0.00 O ATOM 597 NE2 GLN A 41 -6.076 -4.161 0.486 1.00 0.00 N ATOM 0 H GLN A 41 -8.695 0.668 -0.560 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.802 0.036 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.185 -0.121 1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.036 -1.454 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.173 -1.842 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.580 -1.533 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.467 -3.852 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.374 -5.135 0.536 1.00 0.00 H new ATOM 606 N LEU A 42 -6.165 -1.416 -2.597 1.00 0.00 N ATOM 607 CA LEU A 42 -6.355 -2.288 -3.741 1.00 0.00 C ATOM 608 C LEU A 42 -5.540 -3.564 -3.607 1.00 0.00 C ATOM 609 O LEU A 42 -4.335 -3.529 -3.368 1.00 0.00 O ATOM 610 CB LEU A 42 -5.987 -1.558 -5.034 1.00 0.00 C ATOM 611 CG LEU A 42 -7.180 -1.076 -5.858 1.00 0.00 C ATOM 612 CD1 LEU A 42 -6.783 0.090 -6.743 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.745 -2.215 -6.694 1.00 0.00 C ATOM 0 H LEU A 42 -5.285 -0.900 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.409 -2.565 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.364 -0.699 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.382 -2.223 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.956 -0.735 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.647 0.418 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.428 0.913 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.989 -0.222 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.594 -1.854 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.975 -2.587 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.071 -3.021 -6.037 1.00 0.00 H new ATOM 625 N ALA A 43 -6.219 -4.687 -3.757 1.00 0.00 N ATOM 626 CA ALA A 43 -5.574 -5.983 -3.756 1.00 0.00 C ATOM 627 C ALA A 43 -5.476 -6.478 -5.190 1.00 0.00 C ATOM 628 O ALA A 43 -6.318 -7.241 -5.666 1.00 0.00 O ATOM 629 CB ALA A 43 -6.341 -6.966 -2.883 1.00 0.00 C ATOM 0 H ALA A 43 -7.231 -4.724 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.572 -5.897 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.839 -7.933 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.379 -6.591 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.355 -7.078 -3.266 1.00 0.00 H new ATOM 635 N ILE A 44 -4.469 -5.990 -5.883 1.00 0.00 N ATOM 636 CA ILE A 44 -4.283 -6.300 -7.291 1.00 0.00 C ATOM 637 C ILE A 44 -3.236 -7.387 -7.487 1.00 0.00 C ATOM 638 O ILE A 44 -2.469 -7.706 -6.576 1.00 0.00 O ATOM 639 CB ILE A 44 -3.852 -5.046 -8.086 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.713 -4.324 -7.364 1.00 0.00 C ATOM 641 CG2 ILE A 44 -5.032 -4.108 -8.279 1.00 0.00 C ATOM 642 CD1 ILE A 44 -1.397 -4.365 -8.109 1.00 0.00 C ATOM 0 H ILE A 44 -3.759 -5.371 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.244 -6.655 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.497 -5.363 -9.067 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.998 -3.284 -7.204 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.577 -4.772 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.711 -3.230 -8.840 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.820 -4.623 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.413 -3.797 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.638 -3.833 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.088 -5.401 -8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.515 -3.890 -9.083 1.00 0.00 H new ATOM 654 N VAL A 45 -3.240 -7.968 -8.672 1.00 0.00 N ATOM 655 CA VAL A 45 -2.186 -8.867 -9.095 1.00 0.00 C ATOM 656 C VAL A 45 -0.960 -8.032 -9.466 1.00 0.00 C ATOM 657 O VAL A 45 -1.108 -6.973 -10.078 1.00 0.00 O ATOM 658 CB VAL A 45 -2.655 -9.738 -10.286 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.565 -9.916 -11.335 1.00 0.00 C ATOM 660 CG2 VAL A 45 -3.148 -11.088 -9.790 1.00 0.00 C ATOM 0 H VAL A 45 -3.974 -7.829 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.928 -9.548 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.479 -9.213 -10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.942 -10.534 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.272 -8.941 -11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.700 -10.401 -10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.475 -11.690 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.340 -11.602 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.984 -10.941 -9.106 1.00 0.00 H new ATOM 670 N PRO A 46 0.255 -8.473 -9.088 1.00 0.00 N ATOM 671 CA PRO A 46 1.492 -7.701 -9.303 1.00 0.00 C ATOM 672 C PRO A 46 1.906 -7.589 -10.778 1.00 0.00 C ATOM 673 O PRO A 46 3.087 -7.689 -11.115 1.00 0.00 O ATOM 674 CB PRO A 46 2.554 -8.485 -8.513 1.00 0.00 C ATOM 675 CG PRO A 46 1.787 -9.428 -7.648 1.00 0.00 C ATOM 676 CD PRO A 46 0.525 -9.736 -8.396 1.00 0.00 C ATOM 0 HA PRO A 46 1.362 -6.668 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.224 -9.023 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.172 -7.816 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.359 -10.336 -7.456 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.567 -8.979 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.658 -10.562 -9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.288 -10.014 -7.725 1.00 0.00 H new ATOM 684 N GLY A 47 0.935 -7.345 -11.637 1.00 0.00 N ATOM 685 CA GLY A 47 1.205 -7.069 -13.029 1.00 0.00 C ATOM 686 C GLY A 47 0.680 -5.703 -13.395 1.00 0.00 C ATOM 687 O GLY A 47 1.207 -5.028 -14.279 1.00 0.00 O ATOM 0 H GLY A 47 -0.054 -7.333 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.278 -7.118 -13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.737 -7.828 -13.656 1.00 0.00 H new ATOM 691 N THR A 48 -0.365 -5.298 -12.694 1.00 0.00 N ATOM 692 CA THR A 48 -0.930 -3.974 -12.844 1.00 0.00 C ATOM 693 C THR A 48 -0.189 -2.982 -11.971 1.00 0.00 C ATOM 694 O THR A 48 -0.159 -3.114 -10.748 1.00 0.00 O ATOM 695 CB THR A 48 -2.424 -3.977 -12.471 1.00 0.00 C ATOM 696 OG1 THR A 48 -2.910 -5.328 -12.439 1.00 0.00 O ATOM 697 CG2 THR A 48 -3.234 -3.162 -13.468 1.00 0.00 C ATOM 0 H THR A 48 -0.843 -5.880 -12.006 1.00 0.00 H new ATOM 0 HA THR A 48 -0.827 -3.677 -13.888 1.00 0.00 H new ATOM 0 HB THR A 48 -2.536 -3.524 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.860 -5.328 -12.200 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.286 -3.179 -13.183 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.876 -2.132 -13.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.121 -3.589 -14.464 1.00 0.00 H new ATOM 705 N SER A 49 0.427 -2.005 -12.606 1.00 0.00 N ATOM 706 CA SER A 49 1.162 -0.989 -11.891 1.00 0.00 C ATOM 707 C SER A 49 0.205 -0.139 -11.057 1.00 0.00 C ATOM 708 O SER A 49 -0.903 0.167 -11.498 1.00 0.00 O ATOM 709 CB SER A 49 1.938 -0.127 -12.889 1.00 0.00 C ATOM 710 OG SER A 49 1.952 -0.741 -14.173 1.00 0.00 O ATOM 0 H SER A 49 0.431 -1.896 -13.620 1.00 0.00 H new ATOM 0 HA SER A 49 1.872 -1.459 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.482 0.861 -12.957 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.960 0.017 -12.537 1.00 0.00 H new ATOM 0 HG SER A 49 2.451 -0.177 -14.800 1.00 0.00 H new ATOM 716 N PRO A 50 0.594 0.234 -9.828 1.00 0.00 N ATOM 717 CA PRO A 50 -0.253 1.056 -8.958 1.00 0.00 C ATOM 718 C PRO A 50 -0.562 2.405 -9.584 1.00 0.00 C ATOM 719 O PRO A 50 -1.649 2.962 -9.403 1.00 0.00 O ATOM 720 CB PRO A 50 0.578 1.219 -7.680 1.00 0.00 C ATOM 721 CG PRO A 50 1.571 0.109 -7.722 1.00 0.00 C ATOM 722 CD PRO A 50 1.865 -0.125 -9.178 1.00 0.00 C ATOM 0 HA PRO A 50 -1.224 0.596 -8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.072 2.190 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.049 1.154 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.477 0.375 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.171 -0.791 -7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.689 0.496 -9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.141 -1.161 -9.374 1.00 0.00 H new ATOM 730 N ASP A 51 0.390 2.912 -10.343 1.00 0.00 N ATOM 731 CA ASP A 51 0.208 4.145 -11.089 1.00 0.00 C ATOM 732 C ASP A 51 -0.793 3.937 -12.213 1.00 0.00 C ATOM 733 O ASP A 51 -1.446 4.878 -12.653 1.00 0.00 O ATOM 734 CB ASP A 51 1.541 4.620 -11.661 1.00 0.00 C ATOM 735 CG ASP A 51 2.410 3.466 -12.121 1.00 0.00 C ATOM 736 OD1 ASP A 51 3.127 2.888 -11.284 1.00 0.00 O ATOM 737 OD2 ASP A 51 2.388 3.147 -13.330 1.00 0.00 O ATOM 0 H ASP A 51 1.308 2.484 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.176 4.907 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.356 5.291 -12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.075 5.196 -10.905 1.00 0.00 H new ATOM 742 N ALA A 52 -0.934 2.691 -12.652 1.00 0.00 N ATOM 743 CA ALA A 52 -1.853 2.368 -13.736 1.00 0.00 C ATOM 744 C ALA A 52 -3.281 2.376 -13.223 1.00 0.00 C ATOM 745 O ALA A 52 -4.207 2.777 -13.923 1.00 0.00 O ATOM 746 CB ALA A 52 -1.514 1.022 -14.358 1.00 0.00 C ATOM 0 H ALA A 52 -0.425 1.891 -12.275 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.752 3.127 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.216 0.807 -15.164 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.500 1.051 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.583 0.243 -13.599 1.00 0.00 H new ATOM 752 N LEU A 53 -3.445 1.945 -11.983 1.00 0.00 N ATOM 753 CA LEU A 53 -4.745 1.953 -11.336 1.00 0.00 C ATOM 754 C LEU A 53 -5.123 3.381 -10.989 1.00 0.00 C ATOM 755 O LEU A 53 -6.262 3.803 -11.174 1.00 0.00 O ATOM 756 CB LEU A 53 -4.725 1.085 -10.084 1.00 0.00 C ATOM 757 CG LEU A 53 -4.618 -0.414 -10.348 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.543 -1.032 -9.472 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.957 -1.094 -10.116 1.00 0.00 C ATOM 0 H LEU A 53 -2.689 1.583 -11.402 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.488 1.540 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.885 1.391 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.633 1.275 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.337 -0.562 -11.391 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.480 -2.101 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.583 -0.565 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.793 -0.874 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.861 -2.162 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.270 -0.939 -9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.702 -0.669 -10.789 1.00 0.00 H new ATOM 771 N THR A 54 -4.140 4.124 -10.495 1.00 0.00 N ATOM 772 CA THR A 54 -4.301 5.547 -10.249 1.00 0.00 C ATOM 773 C THR A 54 -4.689 6.260 -11.546 1.00 0.00 C ATOM 774 O THR A 54 -5.569 7.120 -11.558 1.00 0.00 O ATOM 775 CB THR A 54 -2.998 6.151 -9.685 1.00 0.00 C ATOM 776 OG1 THR A 54 -2.563 5.392 -8.550 1.00 0.00 O ATOM 777 CG2 THR A 54 -3.193 7.605 -9.284 1.00 0.00 C ATOM 0 H THR A 54 -3.218 3.759 -10.256 1.00 0.00 H new ATOM 0 HA THR A 54 -5.093 5.685 -9.513 1.00 0.00 H new ATOM 0 HB THR A 54 -2.240 6.111 -10.467 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.162 4.551 -8.853 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.257 8.002 -8.890 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.496 8.185 -10.156 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.966 7.671 -8.518 1.00 0.00 H new ATOM 785 N ALA A 55 -4.035 5.870 -12.635 1.00 0.00 N ATOM 786 CA ALA A 55 -4.324 6.417 -13.955 1.00 0.00 C ATOM 787 C ALA A 55 -5.721 6.023 -14.412 1.00 0.00 C ATOM 788 O ALA A 55 -6.405 6.798 -15.074 1.00 0.00 O ATOM 789 CB ALA A 55 -3.288 5.948 -14.964 1.00 0.00 C ATOM 0 H ALA A 55 -3.294 5.170 -12.628 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.280 7.504 -13.888 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.519 6.366 -15.944 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.299 6.282 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.302 4.860 -15.021 1.00 0.00 H new ATOM 795 N ALA A 56 -6.136 4.810 -14.065 1.00 0.00 N ATOM 796 CA ALA A 56 -7.478 4.344 -14.388 1.00 0.00 C ATOM 797 C ALA A 56 -8.519 5.173 -13.645 1.00 0.00 C ATOM 798 O ALA A 56 -9.559 5.518 -14.197 1.00 0.00 O ATOM 799 CB ALA A 56 -7.632 2.870 -14.050 1.00 0.00 C ATOM 0 H ALA A 56 -5.563 4.133 -13.561 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.635 4.466 -15.460 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.642 2.543 -14.299 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.910 2.288 -14.623 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.455 2.720 -12.985 1.00 0.00 H new ATOM 805 N VAL A 57 -8.221 5.504 -12.395 1.00 0.00 N ATOM 806 CA VAL A 57 -9.094 6.353 -11.600 1.00 0.00 C ATOM 807 C VAL A 57 -9.083 7.776 -12.149 1.00 0.00 C ATOM 808 O VAL A 57 -10.126 8.428 -12.238 1.00 0.00 O ATOM 809 CB VAL A 57 -8.675 6.370 -10.113 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.550 7.321 -9.311 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.737 4.969 -9.524 1.00 0.00 C ATOM 0 H VAL A 57 -7.378 5.195 -11.910 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.101 5.940 -11.664 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.646 6.726 -10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.234 7.314 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.454 8.330 -9.712 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.590 7.002 -9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.438 5.001 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.755 4.587 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.062 4.313 -10.074 1.00 0.00 H new ATOM 821 N ALA A 58 -7.898 8.247 -12.531 1.00 0.00 N ATOM 822 CA ALA A 58 -7.764 9.566 -13.137 1.00 0.00 C ATOM 823 C ALA A 58 -8.532 9.621 -14.457 1.00 0.00 C ATOM 824 O ALA A 58 -9.244 10.585 -14.743 1.00 0.00 O ATOM 825 CB ALA A 58 -6.297 9.907 -13.357 1.00 0.00 C ATOM 0 H ALA A 58 -7.021 7.736 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.188 10.305 -12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.217 10.895 -13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.775 9.903 -12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.847 9.167 -14.019 1.00 0.00 H new ATOM 831 N GLY A 59 -8.393 8.562 -15.247 1.00 0.00 N ATOM 832 CA GLY A 59 -9.087 8.471 -16.515 1.00 0.00 C ATOM 833 C GLY A 59 -10.571 8.209 -16.348 1.00 0.00 C ATOM 834 O GLY A 59 -11.354 8.430 -17.271 1.00 0.00 O ATOM 0 H GLY A 59 -7.805 7.758 -15.027 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.945 9.398 -17.070 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.645 7.672 -17.111 1.00 0.00 H new ATOM 838 N LEU A 60 -10.960 7.732 -15.170 1.00 0.00 N ATOM 839 CA LEU A 60 -12.369 7.515 -14.858 1.00 0.00 C ATOM 840 C LEU A 60 -13.079 8.839 -14.597 1.00 0.00 C ATOM 841 O LEU A 60 -14.283 8.870 -14.348 1.00 0.00 O ATOM 842 CB LEU A 60 -12.515 6.604 -13.643 1.00 0.00 C ATOM 843 CG LEU A 60 -13.253 5.288 -13.898 1.00 0.00 C ATOM 844 CD1 LEU A 60 -14.756 5.519 -13.968 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.751 4.627 -15.176 1.00 0.00 C ATOM 0 H LEU A 60 -10.319 7.488 -14.415 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.831 7.035 -15.720 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.521 6.376 -13.259 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.041 7.151 -12.860 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.049 4.617 -13.064 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.262 4.571 -14.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.104 5.941 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.980 6.211 -14.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.289 3.693 -15.338 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.920 5.294 -16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.685 4.420 -15.084 1.00 0.00 H new ATOM 857 N GLY A 61 -12.325 9.929 -14.654 1.00 0.00 N ATOM 858 CA GLY A 61 -12.899 11.238 -14.428 1.00 0.00 C ATOM 859 C GLY A 61 -12.725 11.691 -12.998 1.00 0.00 C ATOM 860 O GLY A 61 -13.264 12.719 -12.592 1.00 0.00 O ATOM 0 H GLY A 61 -11.325 9.928 -14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.431 11.960 -15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.960 11.216 -14.675 1.00 0.00 H new ATOM 864 N TYR A 62 -11.967 10.923 -12.236 1.00 0.00 N ATOM 865 CA TYR A 62 -11.734 11.229 -10.835 1.00 0.00 C ATOM 866 C TYR A 62 -10.270 11.586 -10.619 1.00 0.00 C ATOM 867 O TYR A 62 -9.500 11.677 -11.576 1.00 0.00 O ATOM 868 CB TYR A 62 -12.130 10.038 -9.956 1.00 0.00 C ATOM 869 CG TYR A 62 -13.603 9.696 -10.027 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.519 10.290 -9.166 1.00 0.00 C ATOM 871 CD2 TYR A 62 -14.076 8.776 -10.953 1.00 0.00 C ATOM 872 CE1 TYR A 62 -15.864 9.977 -9.228 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.420 8.458 -11.020 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.312 9.072 -10.161 1.00 0.00 C ATOM 875 OH TYR A 62 -17.651 8.743 -10.218 1.00 0.00 O ATOM 0 H TYR A 62 -11.500 10.078 -12.566 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.350 12.083 -10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.548 9.166 -10.256 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.866 10.257 -8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.174 11.008 -8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -13.383 8.301 -11.632 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.561 10.442 -8.546 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.771 7.733 -11.740 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.062 8.894 -9.341 1.00 0.00 H new ATOM 885 N LYS A 63 -9.890 11.790 -9.367 1.00 0.00 N ATOM 886 CA LYS A 63 -8.523 12.150 -9.031 1.00 0.00 C ATOM 887 C LYS A 63 -8.004 11.274 -7.902 1.00 0.00 C ATOM 888 O LYS A 63 -8.652 11.146 -6.864 1.00 0.00 O ATOM 889 CB LYS A 63 -8.452 13.619 -8.619 1.00 0.00 C ATOM 890 CG LYS A 63 -7.540 14.451 -9.502 1.00 0.00 C ATOM 891 CD LYS A 63 -6.083 14.298 -9.099 1.00 0.00 C ATOM 892 CE LYS A 63 -5.158 14.447 -10.295 1.00 0.00 C ATOM 893 NZ LYS A 63 -5.463 15.671 -11.084 1.00 0.00 N ATOM 0 H LYS A 63 -10.514 11.712 -8.564 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.900 11.995 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.455 14.044 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.104 13.683 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.664 14.149 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.828 15.500 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.831 15.046 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.932 13.321 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.124 14.485 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.249 13.570 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.672 15.876 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.330 15.520 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.601 16.475 -10.439 1.00 0.00 H new ATOM 907 N ALA A 64 -6.845 10.666 -8.108 1.00 0.00 N ATOM 908 CA ALA A 64 -6.224 9.836 -7.084 1.00 0.00 C ATOM 909 C ALA A 64 -4.708 9.986 -7.106 1.00 0.00 C ATOM 910 O ALA A 64 -4.141 10.479 -8.080 1.00 0.00 O ATOM 911 CB ALA A 64 -6.616 8.379 -7.270 1.00 0.00 C ATOM 0 H ALA A 64 -6.314 10.732 -8.976 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.584 10.172 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.143 7.773 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.699 8.281 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.287 8.036 -8.251 1.00 0.00 H new ATOM 917 N THR A 65 -4.064 9.590 -6.019 1.00 0.00 N ATOM 918 CA THR A 65 -2.611 9.598 -5.922 1.00 0.00 C ATOM 919 C THR A 65 -2.131 8.353 -5.186 1.00 0.00 C ATOM 920 O THR A 65 -2.814 7.867 -4.285 1.00 0.00 O ATOM 921 CB THR A 65 -2.104 10.845 -5.175 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.060 11.912 -5.278 1.00 0.00 O ATOM 923 CG2 THR A 65 -0.759 11.305 -5.722 1.00 0.00 C ATOM 0 H THR A 65 -4.533 9.254 -5.178 1.00 0.00 H new ATOM 0 HA THR A 65 -2.213 9.612 -6.937 1.00 0.00 H new ATOM 0 HB THR A 65 -1.976 10.576 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.726 12.698 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.426 12.187 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.026 10.507 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.861 11.550 -6.779 1.00 0.00 H new ATOM 931 N LEU A 66 -0.976 7.830 -5.567 1.00 0.00 N ATOM 932 CA LEU A 66 -0.424 6.656 -4.902 1.00 0.00 C ATOM 933 C LEU A 66 0.108 7.031 -3.523 1.00 0.00 C ATOM 934 O LEU A 66 1.185 7.614 -3.393 1.00 0.00 O ATOM 935 CB LEU A 66 0.686 6.019 -5.743 1.00 0.00 C ATOM 936 CG LEU A 66 1.246 6.890 -6.870 1.00 0.00 C ATOM 937 CD1 LEU A 66 2.640 7.385 -6.517 1.00 0.00 C ATOM 938 CD2 LEU A 66 1.273 6.111 -8.178 1.00 0.00 C ATOM 0 H LEU A 66 -0.404 8.196 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.224 5.925 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.506 5.743 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.303 5.096 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 66 0.595 7.755 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.023 8.003 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.596 7.975 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.302 6.532 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.674 6.744 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.904 5.230 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.261 5.801 -8.438 1.00 0.00 H new ATOM 950 N ALA A 67 -0.651 6.691 -2.496 1.00 0.00 N ATOM 951 CA ALA A 67 -0.294 7.040 -1.131 1.00 0.00 C ATOM 952 C ALA A 67 0.492 5.912 -0.472 1.00 0.00 C ATOM 953 O ALA A 67 0.134 5.438 0.607 1.00 0.00 O ATOM 954 CB ALA A 67 -1.544 7.366 -0.325 1.00 0.00 C ATOM 0 H ALA A 67 -1.524 6.170 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 67 0.342 7.925 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.262 7.626 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.063 8.208 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.203 6.498 -0.309 1.00 0.00 H new ATOM 960 N ASP A 68 1.555 5.482 -1.142 1.00 0.00 N ATOM 961 CA ASP A 68 2.425 4.431 -0.629 1.00 0.00 C ATOM 962 C ASP A 68 2.953 4.803 0.753 1.00 0.00 C ATOM 963 O ASP A 68 3.549 5.867 0.935 1.00 0.00 O ATOM 964 CB ASP A 68 3.582 4.200 -1.600 1.00 0.00 C ATOM 965 CG ASP A 68 4.748 3.451 -0.980 1.00 0.00 C ATOM 966 OD1 ASP A 68 5.652 4.104 -0.419 1.00 0.00 O ATOM 967 OD2 ASP A 68 4.777 2.209 -1.084 1.00 0.00 O ATOM 0 H ASP A 68 1.837 5.850 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 68 1.851 3.509 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.217 3.641 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.934 5.163 -1.970 1.00 0.00 H new ATOM 972 N ALA A 69 2.705 3.938 1.722 1.00 0.00 N ATOM 973 CA ALA A 69 3.121 4.179 3.091 1.00 0.00 C ATOM 974 C ALA A 69 3.421 2.858 3.783 1.00 0.00 C ATOM 975 O ALA A 69 2.830 2.587 4.848 1.00 0.00 O ATOM 976 CB ALA A 69 2.046 4.953 3.844 1.00 0.00 C ATOM 977 OXT ALA A 69 4.233 2.083 3.245 1.00 0.00 O ATOM 0 H ALA A 69 2.213 3.055 1.582 1.00 0.00 H new ATOM 0 HA ALA A 69 4.030 4.781 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.373 5.126 4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.874 5.910 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.120 4.377 3.851 1.00 0.00 H new TER 983 ALA A 69 HETATM 984 HG HG A 70 -18.553 10.811 -5.242 1.00 0.00 HG2+