USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 10 HIS :FLIP no HD1:sc= -1.81 F(o=-10!,f=-8.1) USER MOD Set 1.2: A 32 ASN : amide:sc= -6.32! C(o=-8.1!,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00815 (180deg=-0.333) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0318 (180deg=-0.197) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 6 SER OG : rot 87:sc= 0.41 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.26 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -157:sc= -8.77! (180deg=-10.1!) USER MOD Single : A 34 GLN : amide:sc= -0.505 K(o=-0.51,f=-1.2) USER MOD Single : A 38 THR OG1 : rot 27:sc= 0.0465 USER MOD Single : A 48 THR OG1 : rot -73:sc= -5.49! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -94:sc= -14.8! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -8.31! C(o=-8.3!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.363 USER MOD Single : A 75 TYR OH : rot 177:sc= -11.1! USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= 0 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.050 10.627 -3.030 1.00 0.00 N ATOM 2 CA MET A 1 -18.160 10.907 -1.571 1.00 0.00 C ATOM 3 C MET A 1 -18.101 9.591 -0.792 1.00 0.00 C ATOM 4 O MET A 1 -18.568 9.498 0.325 1.00 0.00 O ATOM 5 CB MET A 1 -19.489 11.612 -1.285 1.00 0.00 C ATOM 6 CG MET A 1 -19.217 12.973 -0.641 1.00 0.00 C ATOM 7 SD MET A 1 -20.707 13.995 -0.740 1.00 0.00 S ATOM 8 CE MET A 1 -21.687 13.085 0.480 1.00 0.00 C ATOM 0 H1 MET A 1 -18.291 11.484 -3.567 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.076 10.340 -3.256 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.705 9.861 -3.287 1.00 0.00 H new ATOM 0 HA MET A 1 -17.335 11.549 -1.261 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.051 11.741 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.102 11.001 -0.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.921 12.842 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.389 13.468 -1.148 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.555 13.679 0.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.020 12.141 0.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.077 12.886 1.361 1.00 0.00 H new ATOM 20 N THR A 2 -17.528 8.572 -1.373 1.00 0.00 N ATOM 21 CA THR A 2 -17.438 7.264 -0.665 1.00 0.00 C ATOM 22 C THR A 2 -16.084 7.162 0.040 1.00 0.00 C ATOM 23 O THR A 2 -15.148 7.862 -0.289 1.00 0.00 O ATOM 24 CB THR A 2 -17.576 6.124 -1.677 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.801 6.420 -2.830 1.00 0.00 O ATOM 26 CG2 THR A 2 -19.044 5.965 -2.074 1.00 0.00 C ATOM 0 H THR A 2 -17.119 8.589 -2.307 1.00 0.00 H new ATOM 0 HA THR A 2 -18.238 7.192 0.071 1.00 0.00 H new ATOM 0 HB THR A 2 -17.222 5.196 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.887 5.690 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.140 5.153 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.638 5.737 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.402 6.892 -2.522 1.00 0.00 H new ATOM 34 N ASP A 3 -15.973 6.295 1.008 1.00 0.00 N ATOM 35 CA ASP A 3 -14.679 6.151 1.734 1.00 0.00 C ATOM 36 C ASP A 3 -14.034 4.811 1.374 1.00 0.00 C ATOM 37 O ASP A 3 -14.363 3.783 1.932 1.00 0.00 O ATOM 38 CB ASP A 3 -14.931 6.204 3.243 1.00 0.00 C ATOM 39 CG ASP A 3 -13.638 6.585 3.964 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.382 7.771 4.094 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.925 5.684 4.374 1.00 0.00 O ATOM 0 H ASP A 3 -16.721 5.680 1.328 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.012 6.964 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.712 6.931 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -15.286 5.236 3.597 1.00 0.00 H new ATOM 46 N LEU A 4 -13.115 4.813 0.447 1.00 0.00 N ATOM 47 CA LEU A 4 -12.447 3.539 0.057 1.00 0.00 C ATOM 48 C LEU A 4 -11.356 3.207 1.077 1.00 0.00 C ATOM 49 O LEU A 4 -10.995 2.063 1.268 1.00 0.00 O ATOM 50 CB LEU A 4 -11.827 3.696 -1.333 1.00 0.00 C ATOM 51 CG LEU A 4 -12.864 4.287 -2.290 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.158 5.115 -3.365 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.647 3.152 -2.955 1.00 0.00 C ATOM 0 H LEU A 4 -12.798 5.641 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.178 2.731 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.952 4.345 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.485 2.729 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.548 4.926 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.899 5.535 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.599 5.923 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.472 4.478 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.386 3.571 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.961 2.514 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.152 2.562 -2.190 1.00 0.00 H new ATOM 65 N PHE A 5 -10.830 4.204 1.735 1.00 0.00 N ATOM 66 CA PHE A 5 -9.765 3.959 2.748 1.00 0.00 C ATOM 67 C PHE A 5 -10.406 3.648 4.102 1.00 0.00 C ATOM 68 O PHE A 5 -9.761 3.707 5.129 1.00 0.00 O ATOM 69 CB PHE A 5 -8.883 5.202 2.874 1.00 0.00 C ATOM 70 CG PHE A 5 -7.733 5.113 1.898 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.794 4.242 0.807 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.600 5.905 2.085 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.720 4.168 -0.091 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.539 5.827 1.177 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.593 4.965 0.097 1.00 0.00 C ATOM 0 H PHE A 5 -11.094 5.182 1.614 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.155 3.112 2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.471 6.098 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.503 5.288 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.668 3.626 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.542 6.577 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.766 3.491 -0.931 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.667 6.448 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.767 4.910 -0.596 1.00 0.00 H new ATOM 85 N SER A 6 -11.670 3.323 4.109 1.00 0.00 N ATOM 86 CA SER A 6 -12.357 3.005 5.394 1.00 0.00 C ATOM 87 C SER A 6 -11.477 2.066 6.223 1.00 0.00 C ATOM 88 O SER A 6 -10.445 1.614 5.772 1.00 0.00 O ATOM 89 CB SER A 6 -13.695 2.328 5.101 1.00 0.00 C ATOM 90 OG SER A 6 -14.494 3.195 4.306 1.00 0.00 O ATOM 0 H SER A 6 -12.258 3.264 3.278 1.00 0.00 H new ATOM 0 HA SER A 6 -12.531 3.925 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.532 1.384 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.209 2.093 6.033 1.00 0.00 H new ATOM 0 HG SER A 6 -14.285 3.055 3.359 1.00 0.00 H new ATOM 96 N SER A 7 -11.874 1.765 7.430 1.00 0.00 N ATOM 97 CA SER A 7 -11.046 0.863 8.278 1.00 0.00 C ATOM 98 C SER A 7 -10.625 -0.361 7.457 1.00 0.00 C ATOM 99 O SER A 7 -11.420 -1.248 7.217 1.00 0.00 O ATOM 100 CB SER A 7 -11.865 0.408 9.476 1.00 0.00 C ATOM 101 OG SER A 7 -11.220 0.824 10.673 1.00 0.00 O ATOM 0 H SER A 7 -12.733 2.104 7.863 1.00 0.00 H new ATOM 0 HA SER A 7 -10.159 1.395 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.869 0.829 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.973 -0.677 9.466 1.00 0.00 H new ATOM 0 HG SER A 7 -11.747 0.533 11.447 1.00 0.00 H new ATOM 107 N PRO A 8 -9.380 -0.363 7.039 1.00 0.00 N ATOM 108 CA PRO A 8 -8.816 -1.456 6.225 1.00 0.00 C ATOM 109 C PRO A 8 -8.538 -2.682 7.097 1.00 0.00 C ATOM 110 O PRO A 8 -8.599 -2.620 8.309 1.00 0.00 O ATOM 111 CB PRO A 8 -7.519 -0.862 5.670 1.00 0.00 C ATOM 112 CG PRO A 8 -7.126 0.290 6.623 1.00 0.00 C ATOM 113 CD PRO A 8 -8.413 0.712 7.353 1.00 0.00 C ATOM 0 HA PRO A 8 -9.487 -1.796 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.733 -1.616 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.663 -0.494 4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.366 -0.036 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.704 1.127 6.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.251 0.800 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.769 1.681 7.004 1.00 0.00 H new ATOM 121 N ASP A 9 -8.225 -3.793 6.492 1.00 0.00 N ATOM 122 CA ASP A 9 -7.935 -5.016 7.290 1.00 0.00 C ATOM 123 C ASP A 9 -6.501 -4.939 7.819 1.00 0.00 C ATOM 124 O ASP A 9 -6.151 -5.579 8.791 1.00 0.00 O ATOM 125 CB ASP A 9 -8.090 -6.254 6.403 1.00 0.00 C ATOM 126 CG ASP A 9 -9.543 -6.371 5.937 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.329 -6.967 6.656 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.845 -5.864 4.870 1.00 0.00 O ATOM 0 H ASP A 9 -8.157 -3.907 5.481 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.631 -5.084 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.426 -6.183 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.801 -7.148 6.955 1.00 0.00 H new ATOM 133 N HIS A 10 -5.669 -4.165 7.178 1.00 0.00 N ATOM 134 CA HIS A 10 -4.254 -4.045 7.629 1.00 0.00 C ATOM 135 C HIS A 10 -3.745 -2.632 7.342 1.00 0.00 C ATOM 136 O HIS A 10 -4.426 -1.836 6.737 1.00 0.00 O ATOM 137 CB HIS A 10 -3.407 -5.048 6.852 1.00 0.00 C ATOM 138 CG HIS A 10 -3.533 -6.404 7.485 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.597 -7.262 7.597 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.469 -7.033 8.111 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.204 -8.407 8.281 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -2.913 -8.218 8.568 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.910 -3.608 6.358 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.188 -4.244 8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.733 -5.088 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.364 -4.733 6.847 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.467 -6.643 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.812 -9.265 8.527 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.335 -8.890 9.072 1.00 0.00 H new ATOM 150 N THR A 11 -2.550 -2.309 7.769 1.00 0.00 N ATOM 151 CA THR A 11 -2.005 -0.951 7.502 1.00 0.00 C ATOM 152 C THR A 11 -0.496 -1.044 7.268 1.00 0.00 C ATOM 153 O THR A 11 0.146 -1.999 7.659 1.00 0.00 O ATOM 154 CB THR A 11 -2.262 -0.059 8.709 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.644 -0.089 9.036 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.835 1.379 8.394 1.00 0.00 C ATOM 0 H THR A 11 -1.931 -2.930 8.291 1.00 0.00 H new ATOM 0 HA THR A 11 -2.491 -0.533 6.620 1.00 0.00 H new ATOM 0 HB THR A 11 -1.682 -0.425 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.809 0.484 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.021 2.012 9.261 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.772 1.398 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.407 1.751 7.544 1.00 0.00 H new ATOM 164 N LEU A 12 0.074 -0.052 6.647 1.00 0.00 N ATOM 165 CA LEU A 12 1.548 -0.067 6.401 1.00 0.00 C ATOM 166 C LEU A 12 2.098 1.344 6.495 1.00 0.00 C ATOM 167 O LEU A 12 1.913 2.138 5.608 1.00 0.00 O ATOM 168 CB LEU A 12 1.851 -0.585 4.992 1.00 0.00 C ATOM 169 CG LEU A 12 3.317 -0.253 4.614 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.237 -0.515 5.810 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.753 -1.147 3.460 1.00 0.00 C ATOM 0 H LEU A 12 -0.415 0.772 6.297 1.00 0.00 H new ATOM 0 HA LEU A 12 2.007 -0.715 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.690 -1.662 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.169 -0.131 4.273 1.00 0.00 H new ATOM 0 HG LEU A 12 3.381 0.796 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.265 -0.279 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.932 0.112 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.169 -1.564 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.784 -0.917 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.682 -2.192 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.106 -0.973 2.600 1.00 0.00 H new ATOM 183 N ASP A 13 2.822 1.653 7.520 1.00 0.00 N ATOM 184 CA ASP A 13 3.417 3.009 7.592 1.00 0.00 C ATOM 185 C ASP A 13 4.607 3.024 6.633 1.00 0.00 C ATOM 186 O ASP A 13 5.361 2.072 6.568 1.00 0.00 O ATOM 187 CB ASP A 13 3.892 3.294 9.018 1.00 0.00 C ATOM 188 CG ASP A 13 4.204 4.785 9.166 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.354 5.585 8.814 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.289 5.098 9.627 1.00 0.00 O ATOM 0 H ASP A 13 3.029 1.036 8.305 1.00 0.00 H new ATOM 0 HA ASP A 13 2.687 3.772 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.124 3.000 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.780 2.702 9.242 1.00 0.00 H new ATOM 195 N ALA A 14 4.806 4.079 5.896 1.00 0.00 N ATOM 196 CA ALA A 14 5.968 4.101 4.971 1.00 0.00 C ATOM 197 C ALA A 14 6.517 5.526 4.940 1.00 0.00 C ATOM 198 O ALA A 14 7.291 5.945 4.075 1.00 0.00 O ATOM 199 CB ALA A 14 5.551 3.593 3.599 1.00 0.00 C ATOM 0 H ALA A 14 4.223 4.916 5.894 1.00 0.00 H new ATOM 0 HA ALA A 14 6.761 3.436 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.409 3.613 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.182 2.571 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.763 4.231 3.199 1.00 0.00 H new ATOM 205 N LEU A 15 6.136 6.251 5.947 1.00 0.00 N ATOM 206 CA LEU A 15 6.618 7.617 6.143 1.00 0.00 C ATOM 207 C LEU A 15 7.993 7.491 6.766 1.00 0.00 C ATOM 208 O LEU A 15 8.148 7.093 7.902 1.00 0.00 O ATOM 209 CB LEU A 15 5.692 8.348 7.086 1.00 0.00 C ATOM 210 CG LEU A 15 4.242 8.024 6.744 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.322 8.563 7.840 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.894 8.686 5.416 1.00 0.00 C ATOM 0 H LEU A 15 5.485 5.929 6.663 1.00 0.00 H new ATOM 0 HA LEU A 15 6.655 8.172 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.905 8.060 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.860 9.423 7.015 1.00 0.00 H new ATOM 0 HG LEU A 15 4.111 6.945 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.286 8.330 7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.581 8.100 8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.442 9.644 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.859 8.463 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.022 9.765 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.552 8.304 4.636 1.00 0.00 H new ATOM 224 N GLY A 16 8.986 7.761 6.002 1.00 0.00 N ATOM 225 CA GLY A 16 10.374 7.592 6.497 1.00 0.00 C ATOM 226 C GLY A 16 10.871 6.237 5.984 1.00 0.00 C ATOM 227 O GLY A 16 12.032 5.898 6.097 1.00 0.00 O ATOM 0 H GLY A 16 8.906 8.096 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.013 8.398 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.402 7.626 7.586 1.00 0.00 H new ATOM 231 N LEU A 17 9.983 5.473 5.389 1.00 0.00 N ATOM 232 CA LEU A 17 10.360 4.160 4.826 1.00 0.00 C ATOM 233 C LEU A 17 10.766 4.391 3.402 1.00 0.00 C ATOM 234 O LEU A 17 10.239 5.255 2.740 1.00 0.00 O ATOM 235 CB LEU A 17 9.160 3.217 4.810 1.00 0.00 C ATOM 236 CG LEU A 17 8.765 2.800 6.219 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.162 1.403 6.147 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.983 2.760 7.127 1.00 0.00 C ATOM 0 H LEU A 17 9.000 5.719 5.274 1.00 0.00 H new ATOM 0 HA LEU A 17 11.157 3.720 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.316 3.707 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.398 2.332 4.220 1.00 0.00 H new ATOM 0 HG LEU A 17 8.051 3.518 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.870 1.081 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.285 1.418 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.899 0.709 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.679 2.460 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.705 2.043 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.440 3.749 7.167 1.00 0.00 H new ATOM 250 N ARG A 18 11.669 3.638 2.902 1.00 0.00 N ATOM 251 CA ARG A 18 12.048 3.865 1.498 1.00 0.00 C ATOM 252 C ARG A 18 12.328 2.542 0.828 1.00 0.00 C ATOM 253 O ARG A 18 12.783 1.604 1.446 1.00 0.00 O ATOM 254 CB ARG A 18 13.252 4.777 1.441 1.00 0.00 C ATOM 255 CG ARG A 18 14.264 4.372 2.514 1.00 0.00 C ATOM 256 CD ARG A 18 15.396 5.399 2.564 1.00 0.00 C ATOM 257 NE ARG A 18 16.477 4.904 3.463 1.00 0.00 N ATOM 258 CZ ARG A 18 16.221 4.661 4.719 1.00 0.00 C ATOM 259 NH1 ARG A 18 16.004 5.650 5.542 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.182 3.432 5.151 1.00 0.00 N ATOM 0 H ARG A 18 12.159 2.886 3.387 1.00 0.00 H new ATOM 0 HA ARG A 18 11.229 4.348 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.713 4.723 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.943 5.811 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.774 4.308 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.666 3.383 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.791 5.570 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.018 6.356 2.925 1.00 0.00 H new ATOM 0 HE ARG A 18 17.417 4.755 3.096 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.035 6.612 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.804 5.462 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.352 2.659 4.507 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.982 3.243 6.133 1.00 0.00 H new ATOM 274 N CYS A 19 12.052 2.455 -0.426 1.00 0.00 N ATOM 275 CA CYS A 19 12.283 1.169 -1.132 1.00 0.00 C ATOM 276 C CYS A 19 13.668 0.654 -0.770 1.00 0.00 C ATOM 277 O CYS A 19 14.602 1.423 -0.659 1.00 0.00 O ATOM 278 CB CYS A 19 12.187 1.393 -2.639 1.00 0.00 C ATOM 279 SG CYS A 19 12.835 -0.050 -3.522 1.00 0.00 S ATOM 0 H CYS A 19 11.677 3.211 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 19 11.532 0.437 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.149 1.568 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.749 2.284 -2.919 1.00 0.00 H new ATOM 0 HG CYS A 19 12.747 0.150 -4.804 1.00 0.00 H new ATOM 285 N PRO A 20 13.768 -0.638 -0.603 1.00 0.00 N ATOM 286 CA PRO A 20 12.637 -1.590 -0.734 1.00 0.00 C ATOM 287 C PRO A 20 11.896 -1.777 0.604 1.00 0.00 C ATOM 288 O PRO A 20 11.030 -2.610 0.721 1.00 0.00 O ATOM 289 CB PRO A 20 13.341 -2.901 -1.079 1.00 0.00 C ATOM 290 CG PRO A 20 14.782 -2.777 -0.524 1.00 0.00 C ATOM 291 CD PRO A 20 15.053 -1.282 -0.296 1.00 0.00 C ATOM 0 HA PRO A 20 11.898 -1.253 -1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.824 -3.750 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.352 -3.065 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.885 -3.333 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.502 -3.196 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.364 -1.084 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.848 -0.917 -0.946 1.00 0.00 H new ATOM 299 N GLU A 21 12.287 -1.063 1.620 1.00 0.00 N ATOM 300 CA GLU A 21 11.668 -1.243 2.984 1.00 0.00 C ATOM 301 C GLU A 21 10.137 -1.183 2.999 1.00 0.00 C ATOM 302 O GLU A 21 9.506 -2.026 3.604 1.00 0.00 O ATOM 303 CB GLU A 21 12.215 -0.187 3.935 1.00 0.00 C ATOM 304 CG GLU A 21 13.616 -0.585 4.397 1.00 0.00 C ATOM 305 CD GLU A 21 14.145 0.461 5.380 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.347 1.252 5.857 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.336 0.454 5.641 1.00 0.00 O ATOM 0 H GLU A 21 13.016 -0.352 1.574 1.00 0.00 H new ATOM 0 HA GLU A 21 11.939 -2.249 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.248 0.782 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.554 -0.082 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.589 -1.566 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.284 -0.665 3.540 1.00 0.00 H new ATOM 314 N PRO A 22 9.578 -0.202 2.369 1.00 0.00 N ATOM 315 CA PRO A 22 8.121 -0.036 2.337 1.00 0.00 C ATOM 316 C PRO A 22 7.543 -1.144 1.490 1.00 0.00 C ATOM 317 O PRO A 22 6.808 -1.990 1.956 1.00 0.00 O ATOM 318 CB PRO A 22 7.932 1.339 1.711 1.00 0.00 C ATOM 319 CG PRO A 22 9.238 1.660 0.953 1.00 0.00 C ATOM 320 CD PRO A 22 10.328 0.799 1.605 1.00 0.00 C ATOM 0 HA PRO A 22 7.625 -0.093 3.306 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.079 1.342 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.733 2.089 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.140 1.429 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.482 2.720 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.969 0.332 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.973 1.394 2.252 1.00 0.00 H new ATOM 328 N VAL A 23 7.918 -1.175 0.259 1.00 0.00 N ATOM 329 CA VAL A 23 7.454 -2.270 -0.621 1.00 0.00 C ATOM 330 C VAL A 23 7.649 -3.589 0.128 1.00 0.00 C ATOM 331 O VAL A 23 6.970 -4.565 -0.121 1.00 0.00 O ATOM 332 CB VAL A 23 8.320 -2.289 -1.873 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.878 -3.431 -2.788 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.185 -0.957 -2.614 1.00 0.00 C ATOM 0 H VAL A 23 8.529 -0.488 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 23 6.408 -2.130 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 23 9.361 -2.438 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.500 -3.442 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.983 -4.380 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.836 -3.287 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.806 -0.974 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.144 -0.802 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.509 -0.144 -1.964 1.00 0.00 H new ATOM 344 N MET A 24 8.584 -3.622 1.049 1.00 0.00 N ATOM 345 CA MET A 24 8.830 -4.880 1.814 1.00 0.00 C ATOM 346 C MET A 24 7.721 -5.084 2.844 1.00 0.00 C ATOM 347 O MET A 24 7.225 -6.178 3.029 1.00 0.00 O ATOM 348 CB MET A 24 10.173 -4.783 2.535 1.00 0.00 C ATOM 349 CG MET A 24 11.281 -5.333 1.634 1.00 0.00 C ATOM 350 SD MET A 24 12.797 -5.541 2.600 1.00 0.00 S ATOM 351 CE MET A 24 12.465 -7.223 3.180 1.00 0.00 C ATOM 0 H MET A 24 9.183 -2.835 1.301 1.00 0.00 H new ATOM 0 HA MET A 24 8.843 -5.723 1.123 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.383 -3.746 2.795 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.137 -5.345 3.469 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.976 -6.288 1.206 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.458 -4.653 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.289 -7.561 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.541 -7.233 3.758 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.365 -7.890 2.324 1.00 0.00 H new ATOM 361 N MET A 25 7.332 -4.041 3.520 1.00 0.00 N ATOM 362 CA MET A 25 6.260 -4.177 4.540 1.00 0.00 C ATOM 363 C MET A 25 4.999 -4.707 3.870 1.00 0.00 C ATOM 364 O MET A 25 4.341 -5.583 4.384 1.00 0.00 O ATOM 365 CB MET A 25 5.974 -2.815 5.169 1.00 0.00 C ATOM 366 CG MET A 25 6.911 -2.596 6.360 1.00 0.00 C ATOM 367 SD MET A 25 6.172 -3.313 7.849 1.00 0.00 S ATOM 368 CE MET A 25 7.712 -3.563 8.767 1.00 0.00 C ATOM 0 H MET A 25 7.711 -3.100 3.410 1.00 0.00 H new ATOM 0 HA MET A 25 6.580 -4.869 5.319 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.115 -2.025 4.431 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.935 -2.764 5.496 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.879 -3.056 6.164 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.088 -1.530 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.489 -4.006 9.738 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.366 -4.230 8.206 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.209 -2.604 8.911 1.00 0.00 H new ATOM 378 N VAL A 26 4.656 -4.192 2.724 1.00 0.00 N ATOM 379 CA VAL A 26 3.436 -4.699 2.032 1.00 0.00 C ATOM 380 C VAL A 26 3.650 -6.160 1.669 1.00 0.00 C ATOM 381 O VAL A 26 2.720 -6.920 1.576 1.00 0.00 O ATOM 382 CB VAL A 26 3.186 -3.909 0.751 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.034 -4.545 -0.033 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.802 -2.481 1.102 1.00 0.00 C ATOM 0 H VAL A 26 5.160 -3.450 2.239 1.00 0.00 H new ATOM 0 HA VAL A 26 2.578 -4.588 2.695 1.00 0.00 H new ATOM 0 HB VAL A 26 4.094 -3.916 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.859 -3.978 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.291 -5.573 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.131 -4.538 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.623 -1.917 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.896 -2.486 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.611 -2.014 1.664 1.00 0.00 H new ATOM 394 N ARG A 27 4.872 -6.554 1.444 1.00 0.00 N ATOM 395 CA ARG A 27 5.138 -7.977 1.076 1.00 0.00 C ATOM 396 C ARG A 27 4.792 -8.882 2.249 1.00 0.00 C ATOM 397 O ARG A 27 4.036 -9.810 2.120 1.00 0.00 O ATOM 398 CB ARG A 27 6.614 -8.170 0.746 1.00 0.00 C ATOM 399 CG ARG A 27 6.882 -7.685 -0.674 1.00 0.00 C ATOM 400 CD ARG A 27 6.519 -8.792 -1.663 1.00 0.00 C ATOM 401 NE ARG A 27 7.473 -9.926 -1.511 1.00 0.00 N ATOM 402 CZ ARG A 27 8.693 -9.818 -1.964 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.905 -9.683 -3.246 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.700 -9.843 -1.136 1.00 0.00 N ATOM 0 H ARG A 27 5.697 -5.957 1.498 1.00 0.00 H new ATOM 0 HA ARG A 27 4.528 -8.228 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.232 -7.617 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.885 -9.222 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.296 -6.790 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.931 -7.412 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.500 -9.134 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.553 -8.409 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 27 7.173 -10.787 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.117 -9.662 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.858 -9.599 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.535 -9.947 -0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.653 -9.759 -1.489 1.00 0.00 H new ATOM 418 N LYS A 28 5.351 -8.609 3.387 1.00 0.00 N ATOM 419 CA LYS A 28 5.071 -9.447 4.593 1.00 0.00 C ATOM 420 C LYS A 28 3.577 -9.390 4.875 1.00 0.00 C ATOM 421 O LYS A 28 2.932 -10.386 5.115 1.00 0.00 O ATOM 422 CB LYS A 28 5.842 -8.899 5.796 1.00 0.00 C ATOM 423 CG LYS A 28 7.247 -8.477 5.357 1.00 0.00 C ATOM 424 CD LYS A 28 8.189 -8.504 6.564 1.00 0.00 C ATOM 425 CE LYS A 28 9.587 -8.928 6.111 1.00 0.00 C ATOM 426 NZ LYS A 28 9.676 -10.416 6.093 1.00 0.00 N ATOM 0 H LYS A 28 5.997 -7.835 3.542 1.00 0.00 H new ATOM 0 HA LYS A 28 5.384 -10.476 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.312 -8.047 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.906 -9.658 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.614 -9.148 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.220 -7.476 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.229 -7.519 7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.813 -9.197 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.795 -8.529 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.339 -8.517 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.627 -10.703 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.495 -10.786 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.968 -10.798 5.434 1.00 0.00 H new ATOM 440 N THR A 29 3.031 -8.216 4.808 1.00 0.00 N ATOM 441 CA THR A 29 1.575 -8.029 5.018 1.00 0.00 C ATOM 442 C THR A 29 0.853 -8.825 3.940 1.00 0.00 C ATOM 443 O THR A 29 -0.182 -9.418 4.156 1.00 0.00 O ATOM 444 CB THR A 29 1.298 -6.534 4.859 1.00 0.00 C ATOM 445 OG1 THR A 29 1.393 -5.896 6.124 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.077 -6.265 4.242 1.00 0.00 C ATOM 0 H THR A 29 3.545 -7.357 4.612 1.00 0.00 H new ATOM 0 HA THR A 29 1.240 -8.367 5.998 1.00 0.00 H new ATOM 0 HB THR A 29 2.046 -6.128 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.217 -4.937 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.230 -5.190 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.130 -6.726 3.256 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.852 -6.687 4.882 1.00 0.00 H new ATOM 454 N VAL A 30 1.433 -8.848 2.782 1.00 0.00 N ATOM 455 CA VAL A 30 0.846 -9.597 1.651 1.00 0.00 C ATOM 456 C VAL A 30 0.977 -11.081 1.972 1.00 0.00 C ATOM 457 O VAL A 30 0.192 -11.905 1.548 1.00 0.00 O ATOM 458 CB VAL A 30 1.651 -9.256 0.396 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.474 -10.341 -0.651 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.183 -7.920 -0.189 1.00 0.00 C ATOM 0 H VAL A 30 2.308 -8.369 2.568 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.202 -9.344 1.490 1.00 0.00 H new ATOM 0 HB VAL A 30 2.702 -9.183 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.052 -10.087 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.823 -11.293 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.420 -10.423 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.765 -7.690 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.127 -7.988 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.324 -7.130 0.549 1.00 0.00 H new ATOM 470 N ARG A 31 1.973 -11.406 2.740 1.00 0.00 N ATOM 471 CA ARG A 31 2.197 -12.816 3.137 1.00 0.00 C ATOM 472 C ARG A 31 1.170 -13.179 4.203 1.00 0.00 C ATOM 473 O ARG A 31 0.746 -14.312 4.311 1.00 0.00 O ATOM 474 CB ARG A 31 3.602 -12.959 3.724 1.00 0.00 C ATOM 475 CG ARG A 31 4.653 -12.714 2.634 1.00 0.00 C ATOM 476 CD ARG A 31 6.038 -12.608 3.276 1.00 0.00 C ATOM 477 NE ARG A 31 6.919 -13.680 2.735 1.00 0.00 N ATOM 478 CZ ARG A 31 8.010 -14.011 3.370 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.936 -14.688 4.483 1.00 0.00 N ATOM 480 NH2 ARG A 31 9.173 -13.662 2.893 1.00 0.00 N ATOM 0 H ARG A 31 2.651 -10.743 3.115 1.00 0.00 H new ATOM 0 HA ARG A 31 2.098 -13.473 2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.739 -12.248 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.729 -13.956 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.638 -13.528 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.422 -11.798 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.471 -11.629 3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.957 -12.701 4.359 1.00 0.00 H new ATOM 0 HE ARG A 31 6.670 -14.156 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.026 -14.958 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.788 -14.947 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.229 -13.131 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.026 -13.920 3.389 1.00 0.00 H new ATOM 494 N ASN A 32 0.759 -12.220 4.992 1.00 0.00 N ATOM 495 CA ASN A 32 -0.250 -12.527 6.045 1.00 0.00 C ATOM 496 C ASN A 32 -1.617 -12.001 5.606 1.00 0.00 C ATOM 497 O ASN A 32 -2.591 -12.102 6.326 1.00 0.00 O ATOM 498 CB ASN A 32 0.157 -11.880 7.372 1.00 0.00 C ATOM 499 CG ASN A 32 0.426 -10.389 7.165 1.00 0.00 C ATOM 500 OD1 ASN A 32 1.546 -9.941 7.305 1.00 0.00 O ATOM 501 ND2 ASN A 32 -0.562 -9.598 6.844 1.00 0.00 N ATOM 0 H ASN A 32 1.074 -11.251 4.953 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.304 -13.606 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.633 -12.016 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.049 -12.368 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.394 -8.601 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.502 -9.977 6.727 1.00 0.00 H new ATOM 508 N MET A 33 -1.703 -11.447 4.426 1.00 0.00 N ATOM 509 CA MET A 33 -3.013 -10.930 3.945 1.00 0.00 C ATOM 510 C MET A 33 -3.758 -12.041 3.205 1.00 0.00 C ATOM 511 O MET A 33 -3.225 -13.103 2.952 1.00 0.00 O ATOM 512 CB MET A 33 -2.797 -9.743 3.001 1.00 0.00 C ATOM 513 CG MET A 33 -2.806 -8.440 3.805 1.00 0.00 C ATOM 514 SD MET A 33 -3.452 -7.096 2.782 1.00 0.00 S ATOM 515 CE MET A 33 -5.158 -7.692 2.672 1.00 0.00 C ATOM 0 H MET A 33 -0.924 -11.331 3.778 1.00 0.00 H new ATOM 0 HA MET A 33 -3.601 -10.600 4.801 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.848 -9.851 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.580 -9.720 2.244 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.420 -8.557 4.698 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.797 -8.202 4.140 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.634 -7.271 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.160 -8.780 2.602 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.709 -7.385 3.561 1.00 0.00 H new ATOM 525 N GLN A 34 -4.989 -11.799 2.858 1.00 0.00 N ATOM 526 CA GLN A 34 -5.790 -12.825 2.137 1.00 0.00 C ATOM 527 C GLN A 34 -6.526 -12.149 0.983 1.00 0.00 C ATOM 528 O GLN A 34 -6.794 -10.966 1.036 1.00 0.00 O ATOM 529 CB GLN A 34 -6.805 -13.452 3.094 1.00 0.00 C ATOM 530 CG GLN A 34 -6.139 -14.586 3.874 1.00 0.00 C ATOM 531 CD GLN A 34 -6.429 -15.920 3.183 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.557 -16.202 2.832 1.00 0.00 O ATOM 533 NE2 GLN A 34 -5.452 -16.757 2.971 1.00 0.00 N ATOM 0 H GLN A 34 -5.480 -10.925 3.045 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.133 -13.606 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.186 -12.698 3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.660 -13.834 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.063 -14.420 3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.513 -14.606 4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.505 -16.520 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.635 -17.648 2.510 1.00 0.00 H new ATOM 542 N PRO A 35 -6.829 -12.914 -0.032 1.00 0.00 N ATOM 543 CA PRO A 35 -7.534 -12.392 -1.210 1.00 0.00 C ATOM 544 C PRO A 35 -8.962 -12.026 -0.829 1.00 0.00 C ATOM 545 O PRO A 35 -9.742 -12.846 -0.388 1.00 0.00 O ATOM 546 CB PRO A 35 -7.465 -13.536 -2.219 1.00 0.00 C ATOM 547 CG PRO A 35 -7.200 -14.820 -1.400 1.00 0.00 C ATOM 548 CD PRO A 35 -6.535 -14.359 -0.087 1.00 0.00 C ATOM 0 HA PRO A 35 -7.099 -11.482 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.396 -13.617 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.670 -13.367 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.129 -15.354 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.551 -15.504 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.946 -14.884 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.462 -14.549 -0.094 1.00 0.00 H new ATOM 556 N GLY A 36 -9.278 -10.776 -0.959 1.00 0.00 N ATOM 557 CA GLY A 36 -10.620 -10.284 -0.572 1.00 0.00 C ATOM 558 C GLY A 36 -10.443 -9.424 0.679 1.00 0.00 C ATOM 559 O GLY A 36 -11.385 -9.138 1.392 1.00 0.00 O ATOM 0 H GLY A 36 -8.650 -10.060 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.064 -9.702 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.293 -11.118 -0.373 1.00 0.00 H new ATOM 563 N GLU A 37 -9.224 -9.016 0.956 1.00 0.00 N ATOM 564 CA GLU A 37 -8.971 -8.184 2.165 1.00 0.00 C ATOM 565 C GLU A 37 -8.441 -6.814 1.735 1.00 0.00 C ATOM 566 O GLU A 37 -8.339 -6.525 0.560 1.00 0.00 O ATOM 567 CB GLU A 37 -7.934 -8.880 3.045 1.00 0.00 C ATOM 568 CG GLU A 37 -8.636 -9.836 4.011 1.00 0.00 C ATOM 569 CD GLU A 37 -9.436 -9.032 5.037 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.496 -8.544 4.682 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.974 -8.918 6.160 1.00 0.00 O ATOM 0 H GLU A 37 -8.399 -9.226 0.394 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.897 -8.055 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.226 -9.430 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.361 -8.140 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.299 -10.504 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.901 -10.462 4.517 1.00 0.00 H new ATOM 578 N THR A 38 -8.102 -5.964 2.670 1.00 0.00 N ATOM 579 CA THR A 38 -7.589 -4.618 2.281 1.00 0.00 C ATOM 580 C THR A 38 -6.429 -4.197 3.187 1.00 0.00 C ATOM 581 O THR A 38 -6.319 -4.617 4.322 1.00 0.00 O ATOM 582 CB THR A 38 -8.720 -3.595 2.387 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.610 -3.978 3.426 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.475 -3.538 1.058 1.00 0.00 C ATOM 0 H THR A 38 -8.157 -6.141 3.673 1.00 0.00 H new ATOM 0 HA THR A 38 -7.226 -4.665 1.254 1.00 0.00 H new ATOM 0 HB THR A 38 -8.306 -2.612 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.126 -4.509 4.092 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.283 -2.809 1.129 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.790 -3.244 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.891 -4.520 0.834 1.00 0.00 H new ATOM 592 N LEU A 39 -5.566 -3.362 2.676 1.00 0.00 N ATOM 593 CA LEU A 39 -4.398 -2.884 3.467 1.00 0.00 C ATOM 594 C LEU A 39 -4.166 -1.402 3.148 1.00 0.00 C ATOM 595 O LEU A 39 -3.857 -1.046 2.029 1.00 0.00 O ATOM 596 CB LEU A 39 -3.157 -3.689 3.062 1.00 0.00 C ATOM 597 CG LEU A 39 -1.891 -3.035 3.625 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.584 -3.616 5.001 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.714 -3.312 2.686 1.00 0.00 C ATOM 0 H LEU A 39 -5.622 -2.986 1.730 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.585 -3.012 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.242 -4.711 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.092 -3.747 1.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.047 -1.960 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.683 -3.150 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.421 -3.423 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.428 -4.691 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.187 -2.847 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.561 -4.388 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.929 -2.898 1.701 1.00 0.00 H new ATOM 611 N LEU A 40 -4.290 -0.537 4.116 1.00 0.00 N ATOM 612 CA LEU A 40 -4.053 0.905 3.849 1.00 0.00 C ATOM 613 C LEU A 40 -2.564 1.167 4.034 1.00 0.00 C ATOM 614 O LEU A 40 -1.917 0.545 4.852 1.00 0.00 O ATOM 615 CB LEU A 40 -4.861 1.759 4.830 1.00 0.00 C ATOM 616 CG LEU A 40 -4.334 3.196 4.820 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.538 3.804 3.433 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.099 4.025 5.854 1.00 0.00 C ATOM 0 H LEU A 40 -4.544 -0.767 5.077 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.365 1.164 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.916 1.746 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.789 1.342 5.835 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.272 3.195 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.163 4.827 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.997 3.214 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.600 3.805 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.725 5.049 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.161 4.025 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.957 3.592 6.844 1.00 0.00 H new ATOM 630 N ILE A 41 -2.000 2.047 3.264 1.00 0.00 N ATOM 631 CA ILE A 41 -0.541 2.290 3.390 1.00 0.00 C ATOM 632 C ILE A 41 -0.229 3.781 3.300 1.00 0.00 C ATOM 633 O ILE A 41 -0.834 4.506 2.545 1.00 0.00 O ATOM 634 CB ILE A 41 0.163 1.560 2.248 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.500 0.184 2.061 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.652 1.409 2.582 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.442 -0.768 1.323 1.00 0.00 C ATOM 0 H ILE A 41 -2.480 2.605 2.558 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.196 1.926 4.358 1.00 0.00 H new ATOM 0 HB ILE A 41 0.076 2.126 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.762 -0.235 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.428 0.294 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.156 0.888 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.097 2.395 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.762 0.836 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.043 -1.736 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.683 -0.355 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.359 -0.892 1.899 1.00 0.00 H new ATOM 649 N ILE A 42 0.741 4.237 4.040 1.00 0.00 N ATOM 650 CA ILE A 42 1.125 5.654 3.965 1.00 0.00 C ATOM 651 C ILE A 42 2.567 5.683 3.525 1.00 0.00 C ATOM 652 O ILE A 42 3.283 4.718 3.673 1.00 0.00 O ATOM 653 CB ILE A 42 1.001 6.315 5.325 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.330 5.903 5.956 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.059 7.839 5.146 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.807 7.002 6.890 1.00 0.00 C ATOM 0 H ILE A 42 1.283 3.676 4.697 1.00 0.00 H new ATOM 0 HA ILE A 42 0.477 6.192 3.273 1.00 0.00 H new ATOM 0 HB ILE A 42 1.817 6.003 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.073 5.723 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.211 4.969 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.971 8.323 6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.009 8.116 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.239 8.161 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.756 6.710 7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.066 7.160 7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.942 7.925 6.327 1.00 0.00 H new ATOM 668 N ALA A 43 3.005 6.758 2.984 1.00 0.00 N ATOM 669 CA ALA A 43 4.410 6.805 2.539 1.00 0.00 C ATOM 670 C ALA A 43 4.821 8.244 2.328 1.00 0.00 C ATOM 671 O ALA A 43 4.213 8.968 1.577 1.00 0.00 O ATOM 672 CB ALA A 43 4.553 6.033 1.226 1.00 0.00 C ATOM 0 H ALA A 43 2.461 7.606 2.828 1.00 0.00 H new ATOM 0 HA ALA A 43 5.050 6.352 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.591 6.067 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.254 4.996 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.916 6.486 0.467 1.00 0.00 H new ATOM 678 N ASP A 44 5.883 8.651 2.930 1.00 0.00 N ATOM 679 CA ASP A 44 6.355 10.025 2.691 1.00 0.00 C ATOM 680 C ASP A 44 7.526 9.885 1.754 1.00 0.00 C ATOM 681 O ASP A 44 7.852 10.776 0.996 1.00 0.00 O ATOM 682 CB ASP A 44 6.762 10.730 3.992 1.00 0.00 C ATOM 683 CG ASP A 44 7.998 10.081 4.608 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.901 9.729 3.867 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.027 9.961 5.820 1.00 0.00 O ATOM 0 H ASP A 44 6.445 8.096 3.576 1.00 0.00 H new ATOM 0 HA ASP A 44 5.565 10.645 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.963 11.782 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.936 10.693 4.703 1.00 0.00 H new ATOM 690 N ASP A 45 8.139 8.728 1.766 1.00 0.00 N ATOM 691 CA ASP A 45 9.256 8.502 0.831 1.00 0.00 C ATOM 692 C ASP A 45 8.706 8.664 -0.595 1.00 0.00 C ATOM 693 O ASP A 45 7.579 8.299 -0.860 1.00 0.00 O ATOM 694 CB ASP A 45 9.775 7.102 1.072 1.00 0.00 C ATOM 695 CG ASP A 45 10.489 6.560 -0.167 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.672 6.825 -0.308 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.845 5.882 -0.948 1.00 0.00 O ATOM 0 H ASP A 45 7.910 7.945 2.379 1.00 0.00 H new ATOM 0 HA ASP A 45 10.074 9.208 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.461 7.106 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.947 6.444 1.336 1.00 0.00 H new ATOM 702 N PRO A 46 9.498 9.235 -1.461 1.00 0.00 N ATOM 703 CA PRO A 46 9.091 9.491 -2.857 1.00 0.00 C ATOM 704 C PRO A 46 9.168 8.207 -3.677 1.00 0.00 C ATOM 705 O PRO A 46 8.581 8.090 -4.735 1.00 0.00 O ATOM 706 CB PRO A 46 10.120 10.510 -3.345 1.00 0.00 C ATOM 707 CG PRO A 46 11.356 10.360 -2.427 1.00 0.00 C ATOM 708 CD PRO A 46 10.870 9.665 -1.141 1.00 0.00 C ATOM 0 HA PRO A 46 8.065 9.848 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.385 10.325 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.719 11.522 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.132 9.771 -2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.790 11.334 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.504 8.816 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.886 10.346 -0.290 1.00 0.00 H new ATOM 716 N ALA A 47 9.896 7.253 -3.195 1.00 0.00 N ATOM 717 CA ALA A 47 10.038 5.966 -3.936 1.00 0.00 C ATOM 718 C ALA A 47 8.948 4.983 -3.503 1.00 0.00 C ATOM 719 O ALA A 47 8.864 3.883 -4.009 1.00 0.00 O ATOM 720 CB ALA A 47 11.414 5.361 -3.649 1.00 0.00 C ATOM 0 H ALA A 47 10.406 7.302 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 47 9.937 6.159 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.518 4.421 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.191 6.054 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.515 5.177 -2.579 1.00 0.00 H new ATOM 726 N THR A 48 8.120 5.359 -2.569 1.00 0.00 N ATOM 727 CA THR A 48 7.050 4.426 -2.116 1.00 0.00 C ATOM 728 C THR A 48 5.826 4.565 -3.020 1.00 0.00 C ATOM 729 O THR A 48 5.206 3.590 -3.396 1.00 0.00 O ATOM 730 CB THR A 48 6.654 4.763 -0.678 1.00 0.00 C ATOM 731 OG1 THR A 48 6.747 6.165 -0.477 1.00 0.00 O ATOM 732 CG2 THR A 48 7.589 4.043 0.291 1.00 0.00 C ATOM 0 H THR A 48 8.137 6.266 -2.102 1.00 0.00 H new ATOM 0 HA THR A 48 7.423 3.403 -2.165 1.00 0.00 H new ATOM 0 HB THR A 48 5.629 4.439 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.690 6.428 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.306 4.284 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.514 2.967 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.615 4.364 0.113 1.00 0.00 H new ATOM 740 N THR A 49 5.469 5.765 -3.377 1.00 0.00 N ATOM 741 CA THR A 49 4.282 5.942 -4.261 1.00 0.00 C ATOM 742 C THR A 49 4.493 5.127 -5.526 1.00 0.00 C ATOM 743 O THR A 49 3.557 4.678 -6.155 1.00 0.00 O ATOM 744 CB THR A 49 4.116 7.414 -4.663 1.00 0.00 C ATOM 745 OG1 THR A 49 4.831 7.652 -5.868 1.00 0.00 O ATOM 746 CG2 THR A 49 4.658 8.326 -3.569 1.00 0.00 C ATOM 0 H THR A 49 5.942 6.625 -3.099 1.00 0.00 H new ATOM 0 HA THR A 49 3.393 5.615 -3.722 1.00 0.00 H new ATOM 0 HB THR A 49 3.057 7.626 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.727 8.591 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.534 9.367 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.112 8.147 -2.643 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.716 8.118 -3.413 1.00 0.00 H new ATOM 754 N ARG A 50 5.719 4.965 -5.925 1.00 0.00 N ATOM 755 CA ARG A 50 5.990 4.207 -7.180 1.00 0.00 C ATOM 756 C ARG A 50 6.349 2.743 -6.901 1.00 0.00 C ATOM 757 O ARG A 50 6.020 1.861 -7.670 1.00 0.00 O ATOM 758 CB ARG A 50 7.154 4.867 -7.912 1.00 0.00 C ATOM 759 CG ARG A 50 6.674 6.158 -8.581 1.00 0.00 C ATOM 760 CD ARG A 50 7.441 6.375 -9.885 1.00 0.00 C ATOM 761 NE ARG A 50 6.564 7.073 -10.868 1.00 0.00 N ATOM 762 CZ ARG A 50 5.474 6.497 -11.296 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.536 5.611 -12.253 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.322 6.808 -10.769 1.00 0.00 N ATOM 0 H ARG A 50 6.544 5.321 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 50 5.083 4.222 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.960 5.086 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.559 4.186 -8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.604 6.100 -8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.827 7.005 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.338 6.966 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.769 5.418 -10.290 1.00 0.00 H new ATOM 0 HE ARG A 50 6.816 8.002 -11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.437 5.369 -12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.684 5.161 -12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.273 7.501 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.470 6.358 -11.103 1.00 0.00 H new ATOM 778 N ASP A 51 7.066 2.483 -5.852 1.00 0.00 N ATOM 779 CA ASP A 51 7.499 1.078 -5.578 1.00 0.00 C ATOM 780 C ASP A 51 6.487 0.299 -4.733 1.00 0.00 C ATOM 781 O ASP A 51 6.198 -0.845 -5.016 1.00 0.00 O ATOM 782 CB ASP A 51 8.836 1.113 -4.837 1.00 0.00 C ATOM 783 CG ASP A 51 9.917 1.684 -5.758 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.788 1.520 -6.960 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.853 2.272 -5.245 1.00 0.00 O ATOM 0 H ASP A 51 7.374 3.175 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 51 7.584 0.568 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.750 1.724 -3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.111 0.109 -4.515 1.00 0.00 H new ATOM 790 N ILE A 52 5.975 0.873 -3.689 1.00 0.00 N ATOM 791 CA ILE A 52 5.016 0.110 -2.834 1.00 0.00 C ATOM 792 C ILE A 52 3.858 -0.428 -3.669 1.00 0.00 C ATOM 793 O ILE A 52 3.558 -1.603 -3.607 1.00 0.00 O ATOM 794 CB ILE A 52 4.514 1.009 -1.694 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.433 0.828 -0.488 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.077 0.643 -1.298 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.800 1.484 0.739 1.00 0.00 C ATOM 0 H ILE A 52 6.172 1.827 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 52 5.528 -0.748 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 52 4.522 2.046 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.600 -0.233 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.407 1.273 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.745 1.294 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.419 0.769 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.044 -0.394 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.456 1.355 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.656 2.548 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.836 1.018 0.944 1.00 0.00 H new ATOM 809 N PRO A 53 3.242 0.427 -4.426 1.00 0.00 N ATOM 810 CA PRO A 53 2.123 0.021 -5.275 1.00 0.00 C ATOM 811 C PRO A 53 2.638 -0.781 -6.449 1.00 0.00 C ATOM 812 O PRO A 53 2.166 -1.859 -6.719 1.00 0.00 O ATOM 813 CB PRO A 53 1.502 1.330 -5.719 1.00 0.00 C ATOM 814 CG PRO A 53 2.584 2.416 -5.538 1.00 0.00 C ATOM 815 CD PRO A 53 3.600 1.854 -4.526 1.00 0.00 C ATOM 0 HA PRO A 53 1.399 -0.615 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.180 1.273 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.618 1.561 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.068 2.644 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.145 3.344 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.625 1.986 -4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.523 2.355 -3.561 1.00 0.00 H new ATOM 823 N GLY A 54 3.621 -0.288 -7.137 1.00 0.00 N ATOM 824 CA GLY A 54 4.158 -1.075 -8.272 1.00 0.00 C ATOM 825 C GLY A 54 4.420 -2.489 -7.776 1.00 0.00 C ATOM 826 O GLY A 54 4.409 -3.438 -8.534 1.00 0.00 O ATOM 0 H GLY A 54 4.071 0.612 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.448 -1.086 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.077 -0.625 -8.647 1.00 0.00 H new ATOM 830 N PHE A 55 4.632 -2.644 -6.495 1.00 0.00 N ATOM 831 CA PHE A 55 4.862 -4.002 -5.951 1.00 0.00 C ATOM 832 C PHE A 55 3.518 -4.733 -5.848 1.00 0.00 C ATOM 833 O PHE A 55 3.374 -5.841 -6.326 1.00 0.00 O ATOM 834 CB PHE A 55 5.525 -3.890 -4.568 1.00 0.00 C ATOM 835 CG PHE A 55 5.093 -5.041 -3.689 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.059 -6.343 -4.199 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.701 -4.797 -2.374 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.630 -7.398 -3.394 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.278 -5.854 -1.568 1.00 0.00 C ATOM 840 CZ PHE A 55 4.239 -7.155 -2.077 1.00 0.00 C ATOM 0 H PHE A 55 4.655 -1.889 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 55 5.522 -4.566 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.610 -3.892 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.252 -2.944 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.365 -6.532 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.725 -3.792 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.600 -8.402 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.980 -5.666 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.907 -7.971 -1.452 1.00 0.00 H new ATOM 850 N CYS A 56 2.537 -4.140 -5.222 1.00 0.00 N ATOM 851 CA CYS A 56 1.233 -4.841 -5.101 1.00 0.00 C ATOM 852 C CYS A 56 0.752 -5.264 -6.484 1.00 0.00 C ATOM 853 O CYS A 56 0.237 -6.344 -6.664 1.00 0.00 O ATOM 854 CB CYS A 56 0.212 -3.908 -4.459 1.00 0.00 C ATOM 855 SG CYS A 56 0.406 -3.976 -2.661 1.00 0.00 S ATOM 0 H CYS A 56 2.583 -3.214 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 56 1.351 -5.727 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.357 -2.888 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.799 -4.204 -4.741 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.419 -4.852 -2.168 1.00 0.00 H new ATOM 861 N THR A 57 0.924 -4.430 -7.465 1.00 0.00 N ATOM 862 CA THR A 57 0.474 -4.801 -8.836 1.00 0.00 C ATOM 863 C THR A 57 1.255 -6.026 -9.314 1.00 0.00 C ATOM 864 O THR A 57 0.754 -6.848 -10.056 1.00 0.00 O ATOM 865 CB THR A 57 0.736 -3.635 -9.787 1.00 0.00 C ATOM 866 OG1 THR A 57 0.140 -2.456 -9.266 1.00 0.00 O ATOM 867 CG2 THR A 57 0.138 -3.951 -11.159 1.00 0.00 C ATOM 0 H THR A 57 1.355 -3.509 -7.381 1.00 0.00 H new ATOM 0 HA THR A 57 -0.592 -5.030 -8.820 1.00 0.00 H new ATOM 0 HB THR A 57 1.810 -3.482 -9.888 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.309 -1.707 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.325 -3.119 -11.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.599 -4.855 -11.557 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.937 -4.105 -11.061 1.00 0.00 H new ATOM 875 N PHE A 58 2.486 -6.141 -8.908 1.00 0.00 N ATOM 876 CA PHE A 58 3.320 -7.294 -9.344 1.00 0.00 C ATOM 877 C PHE A 58 2.835 -8.598 -8.697 1.00 0.00 C ATOM 878 O PHE A 58 2.954 -9.662 -9.274 1.00 0.00 O ATOM 879 CB PHE A 58 4.772 -7.040 -8.937 1.00 0.00 C ATOM 880 CG PHE A 58 5.698 -7.714 -9.920 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.713 -9.109 -10.023 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.542 -6.942 -10.728 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.572 -9.734 -10.935 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.401 -7.566 -11.641 1.00 0.00 C ATOM 885 CZ PHE A 58 7.415 -8.963 -11.744 1.00 0.00 C ATOM 0 H PHE A 58 2.955 -5.481 -8.288 1.00 0.00 H new ATOM 0 HA PHE A 58 3.239 -7.394 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.971 -5.969 -8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.951 -7.423 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.062 -9.704 -9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.530 -5.865 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.584 -10.811 -11.014 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.052 -6.971 -12.265 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.077 -9.446 -12.448 1.00 0.00 H new ATOM 895 N MET A 59 2.316 -8.543 -7.498 1.00 0.00 N ATOM 896 CA MET A 59 1.863 -9.806 -6.835 1.00 0.00 C ATOM 897 C MET A 59 0.393 -10.109 -7.157 1.00 0.00 C ATOM 898 O MET A 59 -0.178 -11.042 -6.630 1.00 0.00 O ATOM 899 CB MET A 59 2.043 -9.687 -5.331 1.00 0.00 C ATOM 900 CG MET A 59 3.477 -10.065 -4.952 1.00 0.00 C ATOM 901 SD MET A 59 3.810 -11.778 -5.431 1.00 0.00 S ATOM 902 CE MET A 59 5.531 -11.831 -4.874 1.00 0.00 C ATOM 0 H MET A 59 2.186 -7.690 -6.953 1.00 0.00 H new ATOM 0 HA MET A 59 2.470 -10.627 -7.217 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.828 -8.668 -5.009 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.337 -10.340 -4.818 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.181 -9.396 -5.447 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.623 -9.944 -3.879 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.948 -12.818 -5.075 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.110 -11.077 -5.408 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.573 -11.630 -3.804 1.00 0.00 H new ATOM 912 N GLU A 60 -0.216 -9.346 -8.025 1.00 0.00 N ATOM 913 CA GLU A 60 -1.645 -9.607 -8.396 1.00 0.00 C ATOM 914 C GLU A 60 -2.601 -9.022 -7.350 1.00 0.00 C ATOM 915 O GLU A 60 -3.703 -9.500 -7.169 1.00 0.00 O ATOM 916 CB GLU A 60 -1.884 -11.114 -8.515 1.00 0.00 C ATOM 917 CG GLU A 60 -2.841 -11.389 -9.678 1.00 0.00 C ATOM 918 CD GLU A 60 -2.102 -11.205 -11.004 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.398 -10.218 -11.136 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.253 -12.056 -11.866 1.00 0.00 O ATOM 0 H GLU A 60 0.213 -8.550 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.840 -9.125 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.938 -11.631 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.303 -11.501 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.234 -12.403 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.694 -10.712 -9.628 1.00 0.00 H new ATOM 927 N HIS A 61 -2.200 -7.984 -6.674 1.00 0.00 N ATOM 928 CA HIS A 61 -3.082 -7.355 -5.661 1.00 0.00 C ATOM 929 C HIS A 61 -3.809 -6.186 -6.320 1.00 0.00 C ATOM 930 O HIS A 61 -3.560 -5.865 -7.466 1.00 0.00 O ATOM 931 CB HIS A 61 -2.225 -6.847 -4.508 1.00 0.00 C ATOM 932 CG HIS A 61 -1.395 -7.982 -3.991 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.586 -9.280 -4.429 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.366 -8.035 -3.087 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.693 -10.055 -3.796 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.077 -9.348 -2.963 1.00 0.00 N ATOM 0 H HIS A 61 -1.288 -7.541 -6.783 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.807 -8.074 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.584 -6.032 -4.844 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.857 -6.449 -3.714 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.279 -9.591 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.039 -7.188 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.606 -11.122 -3.942 1.00 0.00 H new ATOM 944 N GLU A 62 -4.717 -5.554 -5.633 1.00 0.00 N ATOM 945 CA GLU A 62 -5.448 -4.432 -6.273 1.00 0.00 C ATOM 946 C GLU A 62 -5.238 -3.137 -5.510 1.00 0.00 C ATOM 947 O GLU A 62 -5.310 -3.091 -4.302 1.00 0.00 O ATOM 948 CB GLU A 62 -6.940 -4.732 -6.280 1.00 0.00 C ATOM 949 CG GLU A 62 -7.319 -5.466 -7.567 1.00 0.00 C ATOM 950 CD GLU A 62 -8.567 -6.315 -7.322 1.00 0.00 C ATOM 951 OE1 GLU A 62 -9.657 -5.782 -7.449 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.412 -7.485 -7.011 1.00 0.00 O ATOM 0 H GLU A 62 -4.981 -5.763 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.066 -4.323 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.201 -5.340 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.506 -3.804 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.506 -4.748 -8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.494 -6.099 -7.894 1.00 0.00 H new ATOM 959 N LEU A 63 -5.047 -2.078 -6.227 1.00 0.00 N ATOM 960 CA LEU A 63 -4.903 -0.748 -5.583 1.00 0.00 C ATOM 961 C LEU A 63 -6.325 -0.268 -5.329 1.00 0.00 C ATOM 962 O LEU A 63 -7.008 0.167 -6.235 1.00 0.00 O ATOM 963 CB LEU A 63 -4.165 0.205 -6.537 1.00 0.00 C ATOM 964 CG LEU A 63 -4.540 1.665 -6.249 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.899 2.121 -4.937 1.00 0.00 C ATOM 966 CD2 LEU A 63 -4.029 2.546 -7.391 1.00 0.00 C ATOM 0 H LEU A 63 -4.983 -2.073 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.328 -0.789 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.088 0.073 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.414 -0.042 -7.569 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.624 1.749 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.170 3.158 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.254 1.492 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.815 2.038 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.291 3.585 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.946 2.453 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.486 2.228 -8.328 1.00 0.00 H new ATOM 978 N VAL A 64 -6.811 -0.394 -4.127 1.00 0.00 N ATOM 979 CA VAL A 64 -8.198 -0.005 -3.871 1.00 0.00 C ATOM 980 C VAL A 64 -8.350 1.523 -3.920 1.00 0.00 C ATOM 981 O VAL A 64 -9.214 2.029 -4.608 1.00 0.00 O ATOM 982 CB VAL A 64 -8.585 -0.599 -2.527 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.963 -0.129 -2.146 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.620 -2.119 -2.646 1.00 0.00 C ATOM 0 H VAL A 64 -6.298 -0.750 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.871 -0.388 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.860 -0.288 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.239 -0.556 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.970 0.959 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.679 -0.449 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.897 -2.553 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.353 -2.408 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.635 -2.484 -2.938 1.00 0.00 H new ATOM 994 N ALA A 65 -7.531 2.278 -3.230 1.00 0.00 N ATOM 995 CA ALA A 65 -7.690 3.769 -3.317 1.00 0.00 C ATOM 996 C ALA A 65 -6.329 4.467 -3.208 1.00 0.00 C ATOM 997 O ALA A 65 -5.556 4.198 -2.343 1.00 0.00 O ATOM 998 CB ALA A 65 -8.594 4.249 -2.179 1.00 0.00 C ATOM 0 H ALA A 65 -6.780 1.943 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.135 4.016 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.711 5.331 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.571 3.773 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.145 3.986 -1.222 1.00 0.00 H new ATOM 1004 N LYS A 66 -6.002 5.362 -4.080 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.684 6.015 -3.957 1.00 0.00 C ATOM 1006 C LYS A 66 -4.819 7.379 -3.310 1.00 0.00 C ATOM 1007 O LYS A 66 -5.876 7.977 -3.275 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.084 6.195 -5.328 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.539 5.059 -6.214 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.815 5.452 -6.961 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.480 5.733 -8.427 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.226 6.939 -8.884 1.00 0.00 N ATOM 0 H LYS A 66 -6.580 5.668 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.046 5.384 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.392 7.151 -5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.996 6.211 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.754 4.807 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.721 4.169 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.551 4.651 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.260 6.335 -6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.408 5.890 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.744 4.873 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.999 7.131 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.248 6.772 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.953 7.757 -8.303 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.734 7.870 -2.814 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.733 9.203 -2.173 1.00 0.00 C ATOM 1028 C GLU A 67 -2.471 9.960 -2.590 1.00 0.00 C ATOM 1029 O GLU A 67 -1.368 9.613 -2.216 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.757 9.025 -0.669 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.202 9.008 -0.172 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.701 10.444 0.003 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.924 11.353 -0.237 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.851 10.610 0.374 1.00 0.00 O ATOM 0 H GLU A 67 -2.830 7.398 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.610 9.771 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.258 8.095 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.207 9.835 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.835 8.476 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.265 8.472 0.775 1.00 0.00 H new ATOM 1041 N THR A 68 -2.630 10.994 -3.362 1.00 0.00 N ATOM 1042 CA THR A 68 -1.456 11.789 -3.817 1.00 0.00 C ATOM 1043 C THR A 68 -1.830 13.265 -3.743 1.00 0.00 C ATOM 1044 O THR A 68 -1.363 14.079 -4.514 1.00 0.00 O ATOM 1045 CB THR A 68 -1.119 11.414 -5.261 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.994 12.100 -6.144 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.285 9.904 -5.443 1.00 0.00 C ATOM 0 H THR A 68 -3.532 11.327 -3.702 1.00 0.00 H new ATOM 0 HA THR A 68 -0.589 11.587 -3.188 1.00 0.00 H new ATOM 0 HB THR A 68 -0.090 11.696 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.778 11.862 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.046 9.633 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.613 9.380 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.315 9.622 -5.224 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.681 13.610 -2.815 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.103 15.035 -2.682 1.00 0.00 C ATOM 1057 C ASP A 69 -2.019 15.836 -1.965 1.00 0.00 C ATOM 1058 O ASP A 69 -2.183 17.001 -1.661 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.398 15.104 -1.880 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.465 14.243 -2.559 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.130 13.151 -2.989 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.597 14.690 -2.639 1.00 0.00 O ATOM 0 H ASP A 69 -3.102 12.968 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.260 15.457 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.227 14.754 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.740 16.137 -1.809 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.916 15.215 -1.699 1.00 0.00 N ATOM 1068 CA GLY A 70 0.193 15.897 -1.013 1.00 0.00 C ATOM 1069 C GLY A 70 0.687 15.020 0.115 1.00 0.00 C ATOM 1070 O GLY A 70 -0.061 14.576 0.963 1.00 0.00 O ATOM 0 H GLY A 70 -0.735 14.239 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.002 16.099 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.140 16.859 -0.624 1.00 0.00 H new ATOM 1074 N LEU A 71 1.944 14.769 0.097 1.00 0.00 N ATOM 1075 CA LEU A 71 2.577 13.909 1.131 1.00 0.00 C ATOM 1076 C LEU A 71 1.896 14.104 2.494 1.00 0.00 C ATOM 1077 O LEU A 71 1.452 15.186 2.824 1.00 0.00 O ATOM 1078 CB LEU A 71 4.057 14.265 1.265 1.00 0.00 C ATOM 1079 CG LEU A 71 4.799 13.879 -0.003 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.962 14.845 -0.236 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.346 12.459 0.150 1.00 0.00 C ATOM 0 H LEU A 71 2.589 15.129 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 71 2.467 12.870 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.168 15.333 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.489 13.747 2.121 1.00 0.00 H new ATOM 0 HG LEU A 71 4.116 13.925 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.491 14.564 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.577 15.860 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.647 14.800 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.880 12.175 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.028 12.421 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.520 11.767 0.317 1.00 0.00 H new ATOM 1093 N PRO A 72 1.860 13.034 3.243 1.00 0.00 N ATOM 1094 CA PRO A 72 2.411 11.752 2.798 1.00 0.00 C ATOM 1095 C PRO A 72 1.390 11.061 1.900 1.00 0.00 C ATOM 1096 O PRO A 72 0.195 11.206 2.065 1.00 0.00 O ATOM 1097 CB PRO A 72 2.584 10.958 4.077 1.00 0.00 C ATOM 1098 CG PRO A 72 1.578 11.562 5.077 1.00 0.00 C ATOM 1099 CD PRO A 72 1.281 12.998 4.596 1.00 0.00 C ATOM 0 HA PRO A 72 3.341 11.854 2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.385 9.899 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.605 11.036 4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.664 10.969 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.992 11.570 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.210 13.203 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.738 13.742 5.248 1.00 0.00 H new ATOM 1107 N TYR A 73 1.853 10.308 0.963 1.00 0.00 N ATOM 1108 CA TYR A 73 0.928 9.591 0.047 1.00 0.00 C ATOM 1109 C TYR A 73 0.252 8.445 0.774 1.00 0.00 C ATOM 1110 O TYR A 73 0.729 7.978 1.784 1.00 0.00 O ATOM 1111 CB TYR A 73 1.696 8.944 -1.074 1.00 0.00 C ATOM 1112 CG TYR A 73 2.802 9.822 -1.543 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.547 10.892 -2.397 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.093 9.519 -1.152 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.604 11.676 -2.856 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.162 10.283 -1.611 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.921 11.372 -2.466 1.00 0.00 C ATOM 1118 OH TYR A 73 5.973 12.137 -2.926 1.00 0.00 O ATOM 0 H TYR A 73 2.845 10.151 0.783 1.00 0.00 H new ATOM 0 HA TYR A 73 0.211 10.325 -0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.103 7.990 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.022 8.728 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.535 11.113 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.273 8.686 -0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.413 12.514 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.171 10.040 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 73 5.667 13.055 -3.082 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.811 7.930 0.225 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.454 6.768 0.843 1.00 0.00 C ATOM 1130 C ARG A 74 -2.045 5.933 -0.258 1.00 0.00 C ATOM 1131 O ARG A 74 -2.393 6.426 -1.298 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.528 7.200 1.815 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.880 7.479 3.155 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.651 8.576 3.891 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.209 8.028 5.159 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.758 8.829 6.030 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -4.377 9.905 5.628 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -3.687 8.556 7.304 1.00 0.00 N ATOM 0 H ARG A 74 -1.254 8.273 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.721 6.191 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.036 8.092 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.284 6.421 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.862 6.570 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.844 7.786 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.992 9.417 4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.456 8.954 3.261 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.162 7.026 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.432 10.120 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.806 10.531 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.202 7.716 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.116 9.183 7.985 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.156 4.677 -0.049 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.709 3.818 -1.108 1.00 0.00 C ATOM 1154 C TYR A 75 -3.344 2.604 -0.479 1.00 0.00 C ATOM 1155 O TYR A 75 -2.698 1.858 0.229 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.606 3.338 -2.034 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.481 4.334 -2.086 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.595 5.523 -2.809 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.696 4.025 -1.436 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.491 6.404 -2.879 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.786 4.902 -1.489 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.685 6.092 -2.218 1.00 0.00 C ATOM 1163 OH TYR A 75 2.763 6.951 -2.294 1.00 0.00 O ATOM 0 H TYR A 75 -1.889 4.198 0.811 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.440 4.395 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.229 2.375 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.007 3.184 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.519 5.763 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.777 3.101 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.408 7.322 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.701 4.661 -0.969 1.00 0.00 H new ATOM 0 HH TYR A 75 3.494 6.608 -1.739 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.582 2.355 -0.744 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.172 1.167 -0.173 1.00 0.00 C ATOM 1175 C LEU A 76 -4.925 0.043 -1.161 1.00 0.00 C ATOM 1176 O LEU A 76 -4.854 0.282 -2.349 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.666 1.300 -0.009 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.187 -0.002 0.568 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.895 -0.055 2.064 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.672 -0.077 0.317 1.00 0.00 C ATOM 0 H LEU A 76 -5.194 2.925 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.734 0.989 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.905 2.133 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.139 1.509 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.694 -0.850 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.271 -0.992 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.819 0.007 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.386 0.782 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.064 -1.008 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.166 0.767 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.862 -0.044 -0.756 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.805 -1.167 -0.728 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.581 -2.236 -1.711 1.00 0.00 C ATOM 1194 C ILE A 77 -5.312 -3.506 -1.286 1.00 0.00 C ATOM 1195 O ILE A 77 -4.921 -4.173 -0.349 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.085 -2.490 -1.791 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.381 -1.142 -2.000 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.781 -3.446 -2.948 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.971 -1.349 -2.561 1.00 0.00 C ATOM 0 H ILE A 77 -4.851 -1.458 0.248 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.966 -1.939 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.726 -2.952 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.963 -0.524 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.326 -0.604 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.707 -3.624 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.298 -4.391 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.121 -3.004 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.490 -0.381 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.386 -1.947 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.033 -1.866 -3.519 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.372 -3.854 -1.969 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.105 -5.092 -1.586 1.00 0.00 C ATOM 1213 C ARG A 78 -6.270 -6.312 -1.990 1.00 0.00 C ATOM 1214 O ARG A 78 -6.108 -6.607 -3.158 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.457 -5.133 -2.303 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.165 -6.451 -1.985 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.176 -6.765 -3.089 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.478 -7.151 -2.476 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.589 -6.966 -3.134 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.008 -7.871 -3.975 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.283 -5.876 -2.951 1.00 0.00 N ATOM 0 H ARG A 78 -6.755 -3.342 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.273 -5.101 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.074 -4.292 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.313 -5.036 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.436 -7.258 -1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.671 -6.381 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.309 -5.896 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.804 -7.574 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.501 -7.560 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.467 -8.724 -4.118 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.877 -7.726 -4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.957 -5.168 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.152 -5.732 -3.466 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.743 -7.028 -1.028 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.921 -8.231 -1.351 1.00 0.00 C ATOM 1237 C LYS A 79 -5.787 -9.203 -2.130 1.00 0.00 C ATOM 1238 O LYS A 79 -6.912 -9.456 -1.762 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.447 -8.896 -0.061 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.278 -9.836 -0.370 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.818 -11.196 -0.817 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.669 -12.202 -0.890 1.00 0.00 C ATOM 1243 NZ LYS A 79 -3.206 -13.545 -1.249 1.00 0.00 N ATOM 0 H LYS A 79 -5.848 -6.830 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.050 -7.941 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.138 -8.138 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.265 -9.454 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.650 -9.408 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.650 -9.955 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.577 -11.545 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.299 -11.106 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.937 -11.881 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.152 -12.250 0.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.520 -14.044 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.372 -14.096 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.102 -13.434 -1.765 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.275 -9.737 -3.205 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.075 -10.689 -4.021 1.00 0.00 C ATOM 1259 C GLY A 80 -5.240 -11.156 -5.214 1.00 0.00 C ATOM 1260 O GLY A 80 -4.064 -10.869 -5.312 1.00 0.00 O ATOM 0 H GLY A 80 -4.334 -9.553 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.374 -11.544 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.990 -10.209 -4.368 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.839 -11.876 -6.121 1.00 0.00 N ATOM 1265 CA GLY A 81 -5.082 -12.363 -7.307 1.00 0.00 C ATOM 1266 C GLY A 81 -6.063 -12.759 -8.413 1.00 0.00 C ATOM 1267 O GLY A 81 -6.173 -12.015 -9.373 1.00 0.00 O ATOM 1268 OXT GLY A 81 -6.687 -13.798 -8.279 1.00 0.00 O ATOM 0 H GLY A 81 -6.822 -12.148 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.408 -11.585 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.464 -13.218 -7.031 1.00 0.00 H new TER 1272 GLY A 81