USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 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 Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -18:sc= 0.785 USER MOD Single : A 39 HIS : no HE2:sc= -0.919 K(o=-0.92,f=-5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.15! K(o=-2.1!,f=-1) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 139:sc=-0.00844 (180deg=-0.57) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 28 -6.344 -5.373 12.853 1.00 50.00 N ATOM 2 CA PRO A 28 -6.110 -6.700 12.220 1.00 50.00 C ATOM 3 C PRO A 28 -7.236 -7.025 11.234 1.00 50.00 C ATOM 4 O PRO A 28 -8.386 -7.147 11.607 1.00 50.00 O ATOM 5 CB PRO A 28 -6.121 -7.673 13.394 1.00 0.00 C ATOM 6 CG PRO A 28 -6.935 -6.991 14.442 1.00 0.00 C ATOM 7 CD PRO A 28 -6.721 -5.513 14.264 1.00 0.00 C ATOM 0 HA PRO A 28 -5.181 -6.742 11.651 1.00 50.00 H new ATOM 0 HB2 PRO A 28 -6.560 -8.630 13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.111 -7.878 13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.990 -7.244 14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.628 -7.309 15.438 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.625 -4.949 14.493 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.938 -5.141 14.925 1.00 0.00 H new ATOM 17 N VAL A 29 -6.915 -7.165 9.976 1.00 50.00 N ATOM 18 CA VAL A 29 -7.972 -7.480 8.972 1.00 50.00 C ATOM 19 C VAL A 29 -7.479 -8.548 7.994 1.00 50.00 C ATOM 20 O VAL A 29 -6.324 -8.924 7.995 1.00 50.00 O ATOM 21 CB VAL A 29 -8.227 -6.164 8.239 1.00 0.00 C ATOM 22 CG1 VAL A 29 -9.414 -6.335 7.288 1.00 0.00 C ATOM 23 CG2 VAL A 29 -8.538 -5.065 9.257 1.00 0.00 C ATOM 0 H VAL A 29 -5.971 -7.075 9.601 1.00 50.00 H new ATOM 0 HA VAL A 29 -8.876 -7.872 9.438 1.00 50.00 H new ATOM 0 HB VAL A 29 -7.341 -5.886 7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.598 -5.397 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.190 -7.118 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.300 -6.612 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.720 -4.126 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.424 -5.339 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.692 -4.946 9.934 1.00 0.00 H new ATOM 33 N THR A 30 -8.350 -9.037 7.152 1.00 50.00 N ATOM 34 CA THR A 30 -7.939 -10.077 6.168 1.00 50.00 C ATOM 35 C THR A 30 -7.763 -9.443 4.786 1.00 50.00 C ATOM 36 O THR A 30 -8.715 -9.024 4.159 1.00 50.00 O ATOM 37 CB THR A 30 -9.090 -11.083 6.153 1.00 0.00 C ATOM 38 OG1 THR A 30 -9.329 -11.544 7.476 1.00 0.00 O ATOM 39 CG2 THR A 30 -8.725 -12.268 5.255 1.00 0.00 C ATOM 0 H THR A 30 -9.330 -8.760 7.104 1.00 50.00 H new ATOM 0 HA THR A 30 -6.991 -10.548 6.429 1.00 50.00 H new ATOM 0 HB THR A 30 -9.989 -10.602 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.068 -12.188 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.547 -12.984 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.541 -11.913 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.827 -12.752 5.638 1.00 0.00 H new ATOM 47 N CYS A 31 -6.551 -9.363 4.309 1.00 50.00 N ATOM 48 CA CYS A 31 -6.318 -8.749 2.971 1.00 50.00 C ATOM 49 C CYS A 31 -6.372 -9.817 1.876 1.00 50.00 C ATOM 50 O CYS A 31 -6.118 -9.546 0.719 1.00 50.00 O ATOM 51 CB CYS A 31 -4.922 -8.134 3.055 1.00 0.00 C ATOM 52 SG CYS A 31 -4.978 -6.642 4.078 1.00 0.00 S ATOM 0 H CYS A 31 -5.713 -9.696 4.787 1.00 50.00 H new ATOM 0 HA CYS A 31 -7.076 -8.007 2.722 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -4.222 -8.853 3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.560 -7.889 2.056 1.00 0.00 H new ATOM 57 N LEU A 32 -6.699 -11.030 2.229 1.00 50.00 N ATOM 58 CA LEU A 32 -6.766 -12.111 1.203 1.00 50.00 C ATOM 59 C LEU A 32 -7.910 -11.842 0.224 1.00 50.00 C ATOM 60 O LEU A 32 -7.762 -11.978 -0.974 1.00 50.00 O ATOM 61 CB LEU A 32 -7.028 -13.393 1.994 1.00 0.00 C ATOM 62 CG LEU A 32 -7.025 -14.591 1.041 1.00 0.00 C ATOM 63 CD1 LEU A 32 -5.620 -14.780 0.465 1.00 0.00 C ATOM 64 CD2 LEU A 32 -7.436 -15.853 1.802 1.00 0.00 C ATOM 0 H LEU A 32 -6.922 -11.320 3.181 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.852 -12.176 0.612 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.264 -13.523 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.987 -13.326 2.508 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.731 -14.410 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.617 -15.633 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.326 -13.882 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.915 -14.960 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.433 -16.705 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.731 -16.034 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.437 -15.720 2.213 1.00 0.00 H new ATOM 76 N LYS A 33 -9.050 -11.464 0.728 1.00 50.00 N ATOM 77 CA LYS A 33 -10.210 -11.187 -0.168 1.00 50.00 C ATOM 78 C LYS A 33 -9.884 -10.037 -1.121 1.00 50.00 C ATOM 79 O LYS A 33 -10.248 -10.054 -2.281 1.00 50.00 O ATOM 80 CB LYS A 33 -11.353 -10.798 0.771 1.00 0.00 C ATOM 81 CG LYS A 33 -11.840 -12.038 1.521 1.00 0.00 C ATOM 82 CD LYS A 33 -12.975 -11.648 2.470 1.00 0.00 C ATOM 83 CE LYS A 33 -13.417 -12.875 3.271 1.00 0.00 C ATOM 84 NZ LYS A 33 -14.594 -12.414 4.059 1.00 0.00 N ATOM 0 H LYS A 33 -9.231 -11.334 1.723 1.00 50.00 H new ATOM 0 HA LYS A 33 -10.465 -12.047 -0.787 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -11.015 -10.041 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.172 -10.359 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.186 -12.791 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.018 -12.482 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.643 -10.860 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.816 -11.249 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.682 -13.702 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.619 -13.230 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.955 -13.200 4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.310 -11.630 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.340 -12.089 3.411 1.00 0.00 H new ATOM 98 N SER A 34 -9.201 -9.038 -0.640 1.00 50.00 N ATOM 99 CA SER A 34 -8.848 -7.884 -1.516 1.00 50.00 C ATOM 100 C SER A 34 -7.781 -8.300 -2.531 1.00 50.00 C ATOM 101 O SER A 34 -7.652 -7.713 -3.588 1.00 50.00 O ATOM 102 CB SER A 34 -8.299 -6.821 -0.565 1.00 0.00 C ATOM 103 OG SER A 34 -7.141 -7.322 0.084 1.00 0.00 O ATOM 0 H SER A 34 -8.871 -8.969 0.323 1.00 50.00 H new ATOM 0 HA SER A 34 -9.703 -7.519 -2.086 1.00 50.00 H new ATOM 0 HB2 SER A 34 -8.056 -5.914 -1.118 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.055 -6.552 0.173 1.00 0.00 H new ATOM 0 HG SER A 34 -7.118 -8.298 0.004 1.00 0.00 H new ATOM 109 N GLY A 35 -7.017 -9.311 -2.220 1.00 50.00 N ATOM 110 CA GLY A 35 -5.960 -9.766 -3.166 1.00 50.00 C ATOM 111 C GLY A 35 -4.656 -9.017 -2.879 1.00 50.00 C ATOM 112 O GLY A 35 -3.671 -9.181 -3.571 1.00 50.00 O ATOM 0 H GLY A 35 -7.079 -9.842 -1.351 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.804 -10.840 -3.064 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.276 -9.586 -4.194 1.00 50.00 H new ATOM 116 N ALA A 36 -4.640 -8.198 -1.863 1.00 50.00 N ATOM 117 CA ALA A 36 -3.398 -7.442 -1.535 1.00 50.00 C ATOM 118 C ALA A 36 -2.364 -8.376 -0.904 1.00 50.00 C ATOM 119 O ALA A 36 -2.700 -9.385 -0.315 1.00 50.00 O ATOM 120 CB ALA A 36 -3.839 -6.375 -0.534 1.00 0.00 C ATOM 0 H ALA A 36 -5.433 -8.020 -1.246 1.00 50.00 H new ATOM 0 HA ALA A 36 -2.933 -7.005 -2.419 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -2.979 -5.773 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.591 -5.734 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.262 -6.856 0.348 1.00 0.00 H new ATOM 126 N ILE A 37 -1.105 -8.049 -1.019 1.00 50.00 N ATOM 127 CA ILE A 37 -0.052 -8.919 -0.423 1.00 50.00 C ATOM 128 C ILE A 37 0.455 -8.309 0.885 1.00 50.00 C ATOM 129 O ILE A 37 0.391 -7.113 1.089 1.00 50.00 O ATOM 130 CB ILE A 37 1.069 -8.968 -1.464 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.699 -7.581 -1.610 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.493 -9.409 -2.811 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.202 -7.728 -1.858 1.00 0.00 C ATOM 0 H ILE A 37 -0.761 -7.218 -1.500 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.426 -9.915 -0.187 1.00 50.00 H new ATOM 0 HB ILE A 37 1.830 -9.678 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.234 -7.044 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.524 -6.993 -0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.290 -9.444 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.047 -10.399 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.269 -8.699 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.652 -6.741 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.660 -8.249 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.366 -8.300 -2.772 1.00 0.00 H new ATOM 145 N CYS A 38 0.960 -9.120 1.772 1.00 50.00 N ATOM 146 CA CYS A 38 1.472 -8.582 3.063 1.00 50.00 C ATOM 147 C CYS A 38 2.992 -8.411 2.999 1.00 50.00 C ATOM 148 O CYS A 38 3.702 -9.246 2.476 1.00 50.00 O ATOM 149 CB CYS A 38 1.088 -9.628 4.109 1.00 0.00 C ATOM 150 SG CYS A 38 -0.711 -9.640 4.311 1.00 0.00 S ATOM 0 H CYS A 38 1.040 -10.131 1.659 1.00 50.00 H new ATOM 0 HA CYS A 38 1.055 -7.603 3.298 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.437 -10.613 3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.571 -9.402 5.060 1.00 0.00 H new ATOM 155 N HIS A 39 3.495 -7.329 3.527 1.00 50.00 N ATOM 156 CA HIS A 39 4.967 -7.096 3.496 1.00 50.00 C ATOM 157 C HIS A 39 5.535 -7.109 4.917 1.00 50.00 C ATOM 158 O HIS A 39 4.927 -6.591 5.832 1.00 50.00 O ATOM 159 CB HIS A 39 5.140 -5.713 2.865 1.00 0.00 C ATOM 160 CG HIS A 39 6.588 -5.495 2.524 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.500 -5.011 3.447 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.295 -5.689 1.363 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.695 -4.929 2.832 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.626 -5.331 1.560 1.00 0.00 N ATOM 0 H HIS A 39 2.950 -6.595 3.979 1.00 50.00 H new ATOM 0 HA HIS A 39 5.493 -7.868 2.935 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.528 -5.632 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.798 -4.941 3.555 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.302 -4.762 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.882 -6.062 0.438 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.599 -4.581 3.309 1.00 0.00 H new ATOM 172 N PRO A 40 6.690 -7.700 5.051 1.00 50.00 N ATOM 173 CA PRO A 40 7.357 -7.782 6.374 1.00 50.00 C ATOM 174 C PRO A 40 7.858 -6.398 6.803 1.00 50.00 C ATOM 175 O PRO A 40 7.981 -5.498 5.998 1.00 50.00 O ATOM 176 CB PRO A 40 8.524 -8.734 6.127 1.00 0.00 C ATOM 177 CG PRO A 40 8.797 -8.630 4.660 1.00 0.00 C ATOM 178 CD PRO A 40 7.479 -8.341 3.993 1.00 0.00 C ATOM 0 HA PRO A 40 6.696 -8.126 7.170 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.398 -8.449 6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.269 -9.755 6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.516 -7.837 4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.228 -9.556 4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.601 -7.685 3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.003 -9.253 3.634 1.00 0.00 H new ATOM 186 N VAL A 41 8.144 -6.227 8.065 1.00 50.00 N ATOM 187 CA VAL A 41 8.639 -4.904 8.547 1.00 50.00 C ATOM 188 C VAL A 41 7.566 -3.823 8.333 1.00 50.00 C ATOM 189 O VAL A 41 6.562 -3.801 9.017 1.00 50.00 O ATOM 190 CB VAL A 41 9.896 -4.623 7.719 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.616 -3.400 8.291 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.831 -5.833 7.776 1.00 0.00 C ATOM 0 H VAL A 41 8.057 -6.945 8.784 1.00 50.00 H new ATOM 0 HA VAL A 41 8.861 -4.904 9.614 1.00 50.00 H new ATOM 0 HB VAL A 41 9.613 -4.433 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.512 -3.197 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.953 -2.536 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.897 -3.594 9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.725 -5.630 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.115 -6.025 8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.320 -6.707 7.372 1.00 0.00 H new ATOM 202 N PHE A 42 7.760 -2.927 7.398 1.00 50.00 N ATOM 203 CA PHE A 42 6.739 -1.865 7.170 1.00 50.00 C ATOM 204 C PHE A 42 6.479 -1.693 5.670 1.00 50.00 C ATOM 205 O PHE A 42 7.355 -1.888 4.852 1.00 50.00 O ATOM 206 CB PHE A 42 7.354 -0.593 7.754 1.00 0.00 C ATOM 207 CG PHE A 42 8.481 -0.126 6.864 1.00 0.00 C ATOM 208 CD1 PHE A 42 8.211 0.710 5.775 1.00 0.00 C ATOM 209 CD2 PHE A 42 9.795 -0.532 7.126 1.00 0.00 C ATOM 210 CE1 PHE A 42 9.255 1.140 4.947 1.00 0.00 C ATOM 211 CE2 PHE A 42 10.839 -0.101 6.299 1.00 0.00 C ATOM 212 CZ PHE A 42 10.569 0.734 5.209 1.00 0.00 C ATOM 0 H PHE A 42 8.576 -2.886 6.788 1.00 50.00 H new ATOM 0 HA PHE A 42 5.782 -2.107 7.633 1.00 50.00 H new ATOM 0 HB2 PHE A 42 6.596 0.185 7.838 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.726 -0.785 8.760 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.197 1.024 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.003 -1.178 7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.047 1.785 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.853 -0.413 6.502 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.374 1.065 4.570 1.00 0.00 H new ATOM 222 N CYS A 43 5.281 -1.325 5.305 1.00 50.00 N ATOM 223 CA CYS A 43 4.963 -1.138 3.859 1.00 50.00 C ATOM 224 C CYS A 43 5.713 0.079 3.305 1.00 50.00 C ATOM 225 O CYS A 43 5.686 1.144 3.890 1.00 50.00 O ATOM 226 CB CYS A 43 3.456 -0.898 3.818 1.00 0.00 C ATOM 227 SG CYS A 43 2.777 -1.602 2.296 1.00 0.00 S ATOM 0 H CYS A 43 4.508 -1.145 5.945 1.00 50.00 H new ATOM 0 HA CYS A 43 5.259 -1.996 3.256 1.00 50.00 H new ATOM 0 HB2 CYS A 43 2.980 -1.354 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.245 0.170 3.863 1.00 0.00 H new ATOM 232 N PRO A 44 6.358 -0.121 2.188 1.00 50.00 N ATOM 233 CA PRO A 44 7.127 0.974 1.544 1.00 50.00 C ATOM 234 C PRO A 44 6.177 2.016 0.951 1.00 50.00 C ATOM 235 O PRO A 44 5.009 2.070 1.280 1.00 50.00 O ATOM 236 CB PRO A 44 7.906 0.263 0.442 1.00 0.00 C ATOM 237 CG PRO A 44 7.107 -0.962 0.140 1.00 0.00 C ATOM 238 CD PRO A 44 6.437 -1.372 1.425 1.00 0.00 C ATOM 0 HA PRO A 44 7.773 1.511 2.239 1.00 50.00 H new ATOM 0 HB2 PRO A 44 8.010 0.895 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.913 0.007 0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.367 -0.760 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.749 -1.760 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.449 -1.795 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.015 -2.129 1.955 1.00 0.00 H new ATOM 246 N ARG A 45 6.676 2.840 0.076 1.00 50.00 N ATOM 247 CA ARG A 45 5.812 3.883 -0.550 1.00 50.00 C ATOM 248 C ARG A 45 4.993 3.268 -1.682 1.00 50.00 C ATOM 249 O ARG A 45 3.810 3.506 -1.812 1.00 50.00 O ATOM 250 CB ARG A 45 6.777 4.936 -1.105 1.00 0.00 C ATOM 251 CG ARG A 45 7.916 5.175 -0.110 1.00 0.00 C ATOM 252 CD ARG A 45 8.590 6.513 -0.418 1.00 0.00 C ATOM 253 NE ARG A 45 9.477 6.768 0.750 1.00 0.00 N ATOM 254 CZ ARG A 45 10.695 6.303 0.759 1.00 0.00 C ATOM 255 NH1 ARG A 45 11.409 6.324 -0.333 1.00 0.00 N ATOM 256 NH2 ARG A 45 11.197 5.812 1.858 1.00 0.00 N ATOM 0 H ARG A 45 7.647 2.838 -0.235 1.00 50.00 H new ATOM 0 HA ARG A 45 5.111 4.316 0.164 1.00 50.00 H new ATOM 0 HB2 ARG A 45 7.181 4.603 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.244 5.868 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.529 5.177 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.644 4.366 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.161 6.464 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.854 7.308 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 45 9.132 7.307 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.014 6.704 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.362 5.960 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.637 5.792 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.150 5.448 1.865 1.00 0.00 H new ATOM 270 N ARG A 46 5.622 2.475 -2.501 1.00 50.00 N ATOM 271 CA ARG A 46 4.890 1.834 -3.631 1.00 50.00 C ATOM 272 C ARG A 46 3.732 0.989 -3.097 1.00 50.00 C ATOM 273 O ARG A 46 2.763 0.741 -3.788 1.00 50.00 O ATOM 274 CB ARG A 46 5.930 0.950 -4.320 1.00 0.00 C ATOM 275 CG ARG A 46 5.292 0.263 -5.528 1.00 0.00 C ATOM 276 CD ARG A 46 5.078 1.290 -6.641 1.00 0.00 C ATOM 277 NE ARG A 46 4.364 0.543 -7.713 1.00 0.00 N ATOM 278 CZ ARG A 46 3.941 1.170 -8.776 1.00 0.00 C ATOM 279 NH1 ARG A 46 4.003 2.472 -8.841 1.00 0.00 N ATOM 280 NH2 ARG A 46 3.454 0.491 -9.778 1.00 0.00 N ATOM 0 H ARG A 46 6.613 2.241 -2.438 1.00 50.00 H new ATOM 0 HA ARG A 46 4.458 2.564 -4.315 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.782 1.552 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.309 0.204 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.933 -0.545 -5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.340 -0.186 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.490 2.138 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.027 1.688 -7.000 1.00 0.00 H new ATOM 0 HE ARG A 46 4.205 -0.460 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.384 3.004 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.671 2.957 -9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.405 -0.527 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.122 0.978 -10.611 1.00 0.00 H new ATOM 294 N TYR A 47 3.823 0.544 -1.874 1.00 50.00 N ATOM 295 CA TYR A 47 2.726 -0.285 -1.298 1.00 50.00 C ATOM 296 C TYR A 47 2.057 0.454 -0.136 1.00 50.00 C ATOM 297 O TYR A 47 2.716 1.028 0.709 1.00 50.00 O ATOM 298 CB TYR A 47 3.411 -1.556 -0.795 1.00 0.00 C ATOM 299 CG TYR A 47 3.924 -2.353 -1.971 1.00 0.00 C ATOM 300 CD1 TYR A 47 5.057 -1.918 -2.668 1.00 0.00 C ATOM 301 CD2 TYR A 47 3.269 -3.527 -2.365 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.536 -2.655 -3.756 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.748 -4.265 -3.455 1.00 0.00 C ATOM 304 CZ TYR A 47 4.881 -3.827 -4.150 1.00 0.00 C ATOM 305 OH TYR A 47 5.353 -4.553 -5.224 1.00 0.00 O ATOM 0 H TYR A 47 4.609 0.718 -1.248 1.00 50.00 H new ATOM 0 HA TYR A 47 1.947 -0.501 -2.029 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.235 -1.298 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.709 -2.155 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.562 -1.012 -2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.394 -3.863 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.411 -2.319 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.244 -5.171 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 47 4.784 -5.339 -5.363 1.00 0.00 H new ATOM 315 N LYS A 48 0.754 0.441 -0.083 1.00 50.00 N ATOM 316 CA LYS A 48 0.045 1.137 1.026 1.00 50.00 C ATOM 317 C LYS A 48 -0.488 0.113 2.028 1.00 50.00 C ATOM 318 O LYS A 48 -0.835 -0.995 1.670 1.00 50.00 O ATOM 319 CB LYS A 48 -1.103 1.890 0.354 1.00 0.00 C ATOM 320 CG LYS A 48 -0.532 3.051 -0.463 1.00 0.00 C ATOM 321 CD LYS A 48 -1.676 3.856 -1.079 1.00 0.00 C ATOM 322 CE LYS A 48 -1.121 4.763 -2.181 1.00 0.00 C ATOM 323 NZ LYS A 48 -2.306 5.501 -2.700 1.00 0.00 N ATOM 0 H LYS A 48 0.149 -0.022 -0.761 1.00 50.00 H new ATOM 0 HA LYS A 48 0.698 1.812 1.580 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.666 1.217 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.797 2.265 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.076 3.693 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.122 2.670 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.429 3.184 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.168 4.455 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.369 5.448 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.642 4.181 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.008 6.145 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.001 4.823 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.737 6.051 -1.930 1.00 0.00 H new ATOM 337 N GLN A 49 -0.546 0.467 3.281 1.00 50.00 N ATOM 338 CA GLN A 49 -1.045 -0.495 4.302 1.00 50.00 C ATOM 339 C GLN A 49 -2.568 -0.411 4.429 1.00 50.00 C ATOM 340 O GLN A 49 -3.104 0.528 4.982 1.00 50.00 O ATOM 341 CB GLN A 49 -0.373 -0.070 5.607 1.00 0.00 C ATOM 342 CG GLN A 49 -0.811 -1.006 6.735 1.00 0.00 C ATOM 343 CD GLN A 49 -0.018 -0.685 8.003 1.00 0.00 C ATOM 344 OE1 GLN A 49 0.040 0.451 8.428 1.00 0.00 O ATOM 345 NE2 GLN A 49 0.601 -1.648 8.632 1.00 0.00 N ATOM 0 H GLN A 49 -0.270 1.380 3.642 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.813 -1.527 4.037 1.00 50.00 H new ATOM 0 HB2 GLN A 49 0.711 -0.099 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.641 0.958 5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.879 -0.892 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.648 -2.044 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.553 -2.603 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.132 -1.445 9.479 1.00 0.00 H new ATOM 354 N ILE A 50 -3.268 -1.393 3.929 1.00 50.00 N ATOM 355 CA ILE A 50 -4.755 -1.374 4.033 1.00 50.00 C ATOM 356 C ILE A 50 -5.171 -1.426 5.506 1.00 50.00 C ATOM 357 O ILE A 50 -6.249 -1.003 5.874 1.00 50.00 O ATOM 358 CB ILE A 50 -5.225 -2.635 3.304 1.00 0.00 C ATOM 359 CG1 ILE A 50 -4.794 -2.573 1.838 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.750 -2.730 3.382 1.00 0.00 C ATOM 361 CD1 ILE A 50 -4.868 -3.974 1.227 1.00 0.00 C ATOM 0 H ILE A 50 -2.875 -2.206 3.454 1.00 50.00 H new ATOM 0 HA ILE A 50 -5.189 -0.472 3.602 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.780 -3.511 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.439 -1.889 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.778 -2.184 1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.086 -3.628 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.059 -2.778 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.194 -1.852 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.561 -3.932 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.205 -4.645 1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.891 -4.345 1.290 1.00 0.00 H new ATOM 373 N GLY A 51 -4.322 -1.947 6.348 1.00 50.00 N ATOM 374 CA GLY A 51 -4.657 -2.035 7.797 1.00 50.00 C ATOM 375 C GLY A 51 -3.907 -3.214 8.418 1.00 50.00 C ATOM 376 O GLY A 51 -4.435 -3.943 9.235 1.00 50.00 O ATOM 0 H GLY A 51 -3.406 -2.317 6.093 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -4.384 -1.109 8.302 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -5.732 -2.164 7.927 1.00 50.00 H new ATOM 380 N THR A 52 -2.676 -3.405 8.032 1.00 50.00 N ATOM 381 CA THR A 52 -1.873 -4.535 8.588 1.00 50.00 C ATOM 382 C THR A 52 -2.408 -5.876 8.073 1.00 50.00 C ATOM 383 O THR A 52 -3.578 -6.022 7.783 1.00 50.00 O ATOM 384 CB THR A 52 -2.038 -4.440 10.105 1.00 0.00 C ATOM 385 OG1 THR A 52 -2.353 -3.102 10.465 1.00 0.00 O ATOM 386 CG2 THR A 52 -0.736 -4.861 10.789 1.00 0.00 C ATOM 0 H THR A 52 -2.187 -2.824 7.351 1.00 50.00 H new ATOM 0 HA THR A 52 -0.826 -4.476 8.289 1.00 50.00 H new ATOM 0 HB THR A 52 -2.844 -5.101 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.460 -3.041 11.437 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.855 -4.793 11.870 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.496 -5.888 10.514 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.072 -4.202 10.470 1.00 0.00 H new ATOM 394 N CYS A 53 -1.552 -6.856 7.966 1.00 50.00 N ATOM 395 CA CYS A 53 -1.993 -8.194 7.476 1.00 50.00 C ATOM 396 C CYS A 53 -2.853 -8.881 8.537 1.00 50.00 C ATOM 397 O CYS A 53 -3.862 -9.493 8.245 1.00 50.00 O ATOM 398 CB CYS A 53 -0.695 -8.973 7.265 1.00 0.00 C ATOM 399 SG CYS A 53 -0.999 -10.382 6.168 1.00 0.00 S ATOM 0 H CYS A 53 -0.561 -6.787 8.198 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.591 -8.130 6.567 1.00 50.00 H new ATOM 0 HB2 CYS A 53 0.065 -8.322 6.834 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.309 -9.322 8.223 1.00 0.00 H new ATOM 404 N GLY A 54 -2.446 -8.780 9.766 1.00 50.00 N ATOM 405 CA GLY A 54 -3.209 -9.418 10.875 1.00 50.00 C ATOM 406 C GLY A 54 -2.246 -9.692 12.029 1.00 50.00 C ATOM 407 O GLY A 54 -2.633 -9.753 13.180 1.00 50.00 O ATOM 0 H GLY A 54 -1.607 -8.277 10.056 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.018 -8.765 11.203 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.667 -10.347 10.535 1.00 50.00 H new ATOM 411 N LEU A 55 -0.989 -9.849 11.723 1.00 50.00 N ATOM 412 CA LEU A 55 0.019 -10.111 12.787 1.00 50.00 C ATOM 413 C LEU A 55 1.132 -9.064 12.704 1.00 50.00 C ATOM 414 O LEU A 55 1.330 -8.451 11.673 1.00 50.00 O ATOM 415 CB LEU A 55 0.567 -11.505 12.480 1.00 0.00 C ATOM 416 CG LEU A 55 -0.545 -12.543 12.641 1.00 0.00 C ATOM 417 CD1 LEU A 55 -1.510 -12.449 11.456 1.00 0.00 C ATOM 418 CD2 LEU A 55 0.071 -13.942 12.683 1.00 0.00 C ATOM 0 H LEU A 55 -0.614 -9.807 10.775 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.404 -10.058 13.790 1.00 50.00 H new ATOM 0 HB2 LEU A 55 0.962 -11.536 11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.394 -11.737 13.151 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.088 -12.353 13.567 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.302 -13.189 11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.948 -11.451 11.422 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.968 -12.639 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.719 -14.684 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.613 -14.129 11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.759 -14.011 13.526 1.00 0.00 H new ATOM 430 N PRO A 56 1.820 -8.889 13.797 1.00 50.00 N ATOM 431 CA PRO A 56 2.923 -7.899 13.848 1.00 50.00 C ATOM 432 C PRO A 56 4.125 -8.395 13.037 1.00 50.00 C ATOM 433 O PRO A 56 5.078 -7.673 12.818 1.00 50.00 O ATOM 434 CB PRO A 56 3.261 -7.818 15.334 1.00 0.00 C ATOM 435 CG PRO A 56 2.810 -9.125 15.904 1.00 0.00 C ATOM 436 CD PRO A 56 1.641 -9.588 15.074 1.00 0.00 C ATOM 0 HA PRO A 56 2.653 -6.931 13.425 1.00 50.00 H new ATOM 0 HB2 PRO A 56 4.329 -7.668 15.488 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.749 -6.982 15.810 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.617 -9.857 15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.520 -9.011 16.948 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.648 -10.670 14.942 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.691 -9.330 15.542 1.00 0.00 H new ATOM 444 N GLY A 57 4.088 -9.620 12.588 1.00 50.00 N ATOM 445 CA GLY A 57 5.227 -10.155 11.791 1.00 50.00 C ATOM 446 C GLY A 57 5.240 -9.496 10.411 1.00 50.00 C ATOM 447 O GLY A 57 6.269 -9.068 9.927 1.00 50.00 O ATOM 0 H GLY A 57 3.319 -10.273 12.739 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.168 -9.962 12.307 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.136 -11.236 11.688 1.00 50.00 H new ATOM 451 N THR A 58 4.105 -9.408 9.771 1.00 50.00 N ATOM 452 CA THR A 58 4.057 -8.775 8.421 1.00 50.00 C ATOM 453 C THR A 58 2.965 -7.707 8.371 1.00 50.00 C ATOM 454 O THR A 58 2.109 -7.634 9.230 1.00 50.00 O ATOM 455 CB THR A 58 3.725 -9.913 7.455 1.00 0.00 C ATOM 456 OG1 THR A 58 4.524 -11.047 7.764 1.00 0.00 O ATOM 457 CG2 THR A 58 4.005 -9.463 6.019 1.00 0.00 C ATOM 0 H THR A 58 3.210 -9.747 10.124 1.00 50.00 H new ATOM 0 HA THR A 58 4.997 -8.284 8.170 1.00 50.00 H new ATOM 0 HB THR A 58 2.672 -10.176 7.552 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.310 -11.777 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.768 -10.274 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.389 -8.595 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.058 -9.198 5.919 1.00 0.00 H new ATOM 465 N LYS A 59 2.987 -6.883 7.363 1.00 50.00 N ATOM 466 CA LYS A 59 1.951 -5.821 7.241 1.00 50.00 C ATOM 467 C LYS A 59 1.198 -5.990 5.922 1.00 50.00 C ATOM 468 O LYS A 59 1.746 -6.449 4.942 1.00 50.00 O ATOM 469 CB LYS A 59 2.729 -4.507 7.253 1.00 0.00 C ATOM 470 CG LYS A 59 3.456 -4.363 8.590 1.00 0.00 C ATOM 471 CD LYS A 59 2.428 -4.173 9.707 1.00 0.00 C ATOM 472 CE LYS A 59 3.152 -4.055 11.050 1.00 0.00 C ATOM 473 NZ LYS A 59 3.802 -2.712 11.019 1.00 0.00 N ATOM 0 H LYS A 59 3.680 -6.899 6.615 1.00 50.00 H new ATOM 0 HA LYS A 59 1.213 -5.859 8.042 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.446 -4.488 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.050 -3.668 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.062 -5.248 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.136 -3.512 8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.835 -3.278 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.737 -5.015 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.454 -4.137 11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.890 -4.848 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.703 -2.257 11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.811 -2.820 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.345 -2.122 10.294 1.00 0.00 H new ATOM 487 N CYS A 60 -0.053 -5.634 5.885 1.00 50.00 N ATOM 488 CA CYS A 60 -0.822 -5.789 4.619 1.00 50.00 C ATOM 489 C CYS A 60 -0.413 -4.706 3.619 1.00 50.00 C ATOM 490 O CYS A 60 -0.366 -3.536 3.941 1.00 50.00 O ATOM 491 CB CYS A 60 -2.289 -5.628 5.023 1.00 0.00 C ATOM 492 SG CYS A 60 -3.326 -5.611 3.540 1.00 0.00 S ATOM 0 H CYS A 60 -0.575 -5.245 6.670 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.639 -6.749 4.137 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.588 -6.445 5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.423 -4.703 5.584 1.00 0.00 H new ATOM 497 N CYS A 61 -0.112 -5.088 2.408 1.00 50.00 N ATOM 498 CA CYS A 61 0.298 -4.081 1.389 1.00 50.00 C ATOM 499 C CYS A 61 -0.413 -4.356 0.062 1.00 50.00 C ATOM 500 O CYS A 61 -0.812 -5.469 -0.219 1.00 50.00 O ATOM 501 CB CYS A 61 1.809 -4.264 1.241 1.00 0.00 C ATOM 502 SG CYS A 61 2.645 -3.575 2.691 1.00 0.00 S ATOM 0 H CYS A 61 -0.132 -6.054 2.080 1.00 50.00 H new ATOM 0 HA CYS A 61 0.039 -3.063 1.681 1.00 50.00 H new ATOM 0 HB2 CYS A 61 2.050 -5.322 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.159 -3.768 0.336 1.00 0.00 H new ATOM 507 N LYS A 62 -0.577 -3.353 -0.759 1.00 50.00 N ATOM 508 CA LYS A 62 -1.265 -3.567 -2.064 1.00 50.00 C ATOM 509 C LYS A 62 -0.670 -2.647 -3.136 1.00 50.00 C ATOM 510 O LYS A 62 0.061 -1.724 -2.840 1.00 50.00 O ATOM 511 CB LYS A 62 -2.729 -3.211 -1.799 1.00 0.00 C ATOM 512 CG LYS A 62 -2.834 -1.742 -1.386 1.00 0.00 C ATOM 513 CD LYS A 62 -4.292 -1.285 -1.486 1.00 0.00 C ATOM 514 CE LYS A 62 -4.340 0.234 -1.662 1.00 0.00 C ATOM 515 NZ LYS A 62 -5.790 0.580 -1.611 1.00 0.00 N ATOM 0 H LYS A 62 -0.265 -2.398 -0.583 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.153 -4.588 -2.429 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.325 -3.391 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.132 -3.850 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.471 -1.613 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.204 -1.127 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.781 -1.775 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.838 -1.575 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.785 0.741 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.895 0.536 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.906 1.607 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.291 0.088 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.185 0.286 -0.695 1.00 0.00 H new ATOM 529 N LYS A 63 -0.978 -2.896 -4.381 1.00 50.00 N ATOM 530 CA LYS A 63 -0.431 -2.038 -5.472 1.00 50.00 C ATOM 531 C LYS A 63 -1.487 -1.029 -5.933 1.00 50.00 C ATOM 532 O LYS A 63 -2.641 -1.370 -6.097 1.00 50.00 O ATOM 533 CB LYS A 63 -0.088 -3.007 -6.605 1.00 0.00 C ATOM 534 CG LYS A 63 0.984 -3.991 -6.129 1.00 0.00 C ATOM 535 CD LYS A 63 1.377 -4.910 -7.287 1.00 0.00 C ATOM 536 CE LYS A 63 0.226 -5.872 -7.589 1.00 0.00 C ATOM 537 NZ LYS A 63 0.645 -6.596 -8.822 1.00 0.00 N ATOM 0 H LYS A 63 -1.584 -3.656 -4.689 1.00 50.00 H new ATOM 0 HA LYS A 63 0.437 -1.464 -5.148 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -0.981 -3.549 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.270 -2.455 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.858 -3.448 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.607 -4.581 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.612 -4.318 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.276 -5.471 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.061 -6.563 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.709 -5.333 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.094 -7.276 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.788 -5.914 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.534 -7.105 -8.641 1.00 0.00 H new ATOM 551 N PRO A 64 -1.050 0.185 -6.125 1.00 50.00 N ATOM 552 CA PRO A 64 -1.967 1.262 -6.572 1.00 50.00 C ATOM 553 C PRO A 64 -2.337 1.074 -8.046 1.00 50.00 C ATOM 554 O PRO A 64 -1.701 0.264 -8.699 1.00 99.99 O ATOM 555 CB PRO A 64 -1.148 2.533 -6.375 1.00 0.00 C ATOM 556 CG PRO A 64 0.280 2.089 -6.441 1.00 0.00 C ATOM 557 CD PRO A 64 0.325 0.666 -5.946 1.00 0.00 C ATOM 558 OXT PRO A 64 -3.253 1.744 -8.495 1.00 50.00 O ATOM 0 HA PRO A 64 -2.909 1.278 -6.024 1.00 50.00 H new ATOM 0 HB2 PRO A 64 -1.369 3.268 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.372 3.002 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.657 2.154 -7.462 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.912 2.731 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.035 0.067 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.633 0.616 -4.902 1.00 0.00 H new TER 566 PRO A 64